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 9 SER OG : rot 151:sc= 0.151 USER MOD Set 1.2: A 64 TYR OH : rot -41:sc= 1.09 USER MOD Set 2.1: A 44 TYR OH : rot 59:sc= 1.34 USER MOD Set 2.2: A 49 TYR OH : rot -173:sc= 2.04 USER MOD Set 2.3: A 54 LYS NZ :NH3+ -155:sc= 0.931 (180deg=0.00276) USER MOD Set 3.1: A 38 TYR OH : rot 24:sc= 1.25 USER MOD Set 3.2: A 42 LYS NZ :NH3+ 176:sc= 0.467 (180deg=0.0887) USER MOD Set 4.1: A 41 MET CE :methyl -170:sc= -0.352 (180deg=-0.588) USER MOD Set 4.2: A 76 MET CE :methyl -129:sc= -0.85 (180deg=-3!) USER MOD Set 4.3: A 80 HEM CMA :methyl -30:sc= -3.43 (180deg=-8.53!) USER MOD Set 5.1: A 32 GLN : amide:sc= -0.17 K(o=0.52,f=-2.2) USER MOD Set 5.2: A 40 LYS NZ :NH3+ -134:sc= 0.691 (180deg=0.731) USER MOD Single : A 1 ALA N :NH3+ -109:sc= 1.5 (180deg=-0.019) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.499 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 55:sc= 0.841 USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= 1.15 (180deg=0.584) USER MOD Single : A 23 MET CE :methyl 179:sc= 0 (180deg=-0.000955) USER MOD Single : A 25 SER OG : rot 87:sc= 0.698 USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= 1.33 (180deg=0.824) USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 0.794 (180deg=0.736) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= -0.0194 (180deg=-0.198) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 158:sc= -4.28! (180deg=-5.96!) USER MOD Single : A 58 THR OG1 : rot 85:sc= 1.04 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0949) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= -0.0372 (180deg=-0.148) USER MOD Single : A 65 SER OG : rot 180:sc= 0.474 USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.084) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -27:sc= 0.774 USER MOD Single : A 78 LYS NZ :NH3+ 169:sc= 0.831 (180deg=0.732) USER MOD Single : A 80 HEM CMB :methyl -30:sc= -1.85 (180deg=-2.33) USER MOD Single : A 80 HEM CMC :methyl 150:sc= -0.354 (180deg=-0.354) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.854 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.572 -14.818 -0.898 1.00 0.00 N ATOM 2 CA ALA A 1 -1.157 -14.602 -2.294 1.00 0.00 C ATOM 3 C ALA A 1 0.266 -14.058 -2.264 1.00 0.00 C ATOM 4 O ALA A 1 0.717 -13.685 -1.181 1.00 0.00 O ATOM 5 CB ALA A 1 -2.098 -13.631 -3.015 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.623 -15.839 -0.705 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.880 -14.378 -0.258 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.507 -14.390 -0.744 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.199 -15.540 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.762 -13.495 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.110 -14.037 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.093 -12.670 -2.501 1.00 0.00 H new ATOM 6 N ASP A 2 0.954 -14.005 -3.402 1.00 0.00 N ATOM 7 CA ASP A 2 2.325 -13.525 -3.473 1.00 0.00 C ATOM 8 C ASP A 2 2.354 -12.016 -3.565 1.00 0.00 C ATOM 9 O ASP A 2 2.519 -11.502 -4.661 1.00 0.00 O ATOM 10 CB ASP A 2 3.035 -14.172 -4.671 1.00 0.00 C ATOM 11 CG ASP A 2 2.973 -15.693 -4.613 1.00 0.00 C ATOM 12 OD1 ASP A 2 1.892 -16.222 -4.958 1.00 0.00 O ATOM 13 OD2 ASP A 2 3.989 -16.292 -4.202 1.00 0.00 O ATOM 0 H ASP A 2 0.572 -14.296 -4.302 1.00 0.00 H new ATOM 0 HA ASP A 2 2.855 -13.808 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.576 -13.825 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.077 -13.851 -4.692 1.00 0.00 H new ATOM 14 N GLY A 3 2.232 -11.326 -2.424 1.00 0.00 N ATOM 15 CA GLY A 3 2.216 -9.872 -2.293 1.00 0.00 C ATOM 16 C GLY A 3 3.160 -9.181 -3.270 1.00 0.00 C ATOM 17 O GLY A 3 2.765 -8.264 -3.983 1.00 0.00 O ATOM 0 H GLY A 3 2.137 -11.795 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.202 -9.508 -2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.492 -9.600 -1.274 1.00 0.00 H new ATOM 18 N ALA A 4 4.398 -9.662 -3.345 1.00 0.00 N ATOM 19 CA ALA A 4 5.426 -9.125 -4.226 1.00 0.00 C ATOM 20 C ALA A 4 4.966 -8.942 -5.679 1.00 0.00 C ATOM 21 O ALA A 4 5.483 -8.061 -6.363 1.00 0.00 O ATOM 22 CB ALA A 4 6.634 -10.067 -4.203 1.00 0.00 C ATOM 0 H ALA A 4 4.719 -10.451 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 4 5.675 -8.132 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.412 -9.677 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.019 -10.140 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.331 -11.056 -4.548 1.00 0.00 H new ATOM 23 N ALA A 5 4.015 -9.748 -6.168 1.00 0.00 N ATOM 24 CA ALA A 5 3.555 -9.655 -7.542 1.00 0.00 C ATOM 25 C ALA A 5 2.458 -8.601 -7.648 1.00 0.00 C ATOM 26 O ALA A 5 2.313 -7.952 -8.680 1.00 0.00 O ATOM 27 CB ALA A 5 3.060 -11.027 -8.010 1.00 0.00 C ATOM 0 H ALA A 5 3.552 -10.474 -5.621 1.00 0.00 H new ATOM 0 HA ALA A 5 4.377 -9.351 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.715 -10.957 -9.041 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.875 -11.748 -7.948 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.238 -11.354 -7.374 1.00 0.00 H new ATOM 28 N LEU A 6 1.696 -8.411 -6.570 1.00 0.00 N ATOM 29 CA LEU A 6 0.616 -7.463 -6.500 1.00 0.00 C ATOM 30 C LEU A 6 1.232 -6.072 -6.385 1.00 0.00 C ATOM 31 O LEU A 6 0.745 -5.119 -6.992 1.00 0.00 O ATOM 32 CB LEU A 6 -0.237 -7.815 -5.274 1.00 0.00 C ATOM 33 CG LEU A 6 -0.964 -9.167 -5.361 1.00 0.00 C ATOM 34 CD1 LEU A 6 -0.079 -10.396 -5.398 1.00 0.00 C ATOM 35 CD2 LEU A 6 -1.809 -9.355 -4.099 1.00 0.00 C ATOM 0 H LEU A 6 1.828 -8.934 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.024 -7.488 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.404 -7.819 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.978 -7.029 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.517 -9.107 -6.299 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.700 -11.290 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.574 -10.348 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.526 -10.436 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.330 -10.311 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.162 -9.340 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.538 -8.548 -4.026 1.00 0.00 H new ATOM 36 N TYR A 7 2.315 -5.976 -5.604 1.00 0.00 N ATOM 37 CA TYR A 7 3.027 -4.740 -5.333 1.00 0.00 C ATOM 38 C TYR A 7 3.796 -4.138 -6.521 1.00 0.00 C ATOM 39 O TYR A 7 4.188 -2.972 -6.459 1.00 0.00 O ATOM 40 CB TYR A 7 3.979 -5.019 -4.161 1.00 0.00 C ATOM 41 CG TYR A 7 4.358 -3.813 -3.335 1.00 0.00 C ATOM 42 CD1 TYR A 7 3.378 -2.899 -2.903 1.00 0.00 C ATOM 43 CD2 TYR A 7 5.659 -3.720 -2.817 1.00 0.00 C ATOM 44 CE1 TYR A 7 3.755 -1.761 -2.180 1.00 0.00 C ATOM 45 CE2 TYR A 7 5.987 -2.676 -1.941 1.00 0.00 C ATOM 46 CZ TYR A 7 5.089 -1.611 -1.775 1.00 0.00 C ATOM 47 OH TYR A 7 5.480 -0.500 -1.102 1.00 0.00 O ATOM 0 H TYR A 7 2.724 -6.784 -5.134 1.00 0.00 H new ATOM 0 HA TYR A 7 2.281 -3.980 -5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.515 -5.756 -3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.890 -5.470 -4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.337 -3.076 -3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.405 -4.451 -3.092 1.00 0.00 H new ATOM 0 HE1 TYR A 7 3.024 -1.004 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.921 -2.691 -1.399 1.00 0.00 H new ATOM 0 HH TYR A 7 6.437 -0.561 -0.898 1.00 0.00 H new ATOM 48 N LYS A 8 4.012 -4.884 -7.608 1.00 0.00 N ATOM 49 CA LYS A 8 4.777 -4.386 -8.756 1.00 0.00 C ATOM 50 C LYS A 8 4.293 -3.015 -9.247 1.00 0.00 C ATOM 51 O LYS A 8 5.098 -2.115 -9.475 1.00 0.00 O ATOM 52 CB LYS A 8 4.733 -5.404 -9.903 1.00 0.00 C ATOM 53 CG LYS A 8 5.377 -6.752 -9.548 1.00 0.00 C ATOM 54 CD LYS A 8 6.825 -6.681 -9.039 1.00 0.00 C ATOM 55 CE LYS A 8 7.762 -5.963 -10.018 1.00 0.00 C ATOM 56 NZ LYS A 8 9.156 -6.003 -9.545 1.00 0.00 N ATOM 0 H LYS A 8 3.667 -5.838 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 8 5.805 -4.256 -8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.695 -5.570 -10.191 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.242 -4.984 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.766 -7.237 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.352 -7.390 -10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.844 -6.164 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.194 -7.692 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.695 -6.431 -11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.445 -4.927 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.768 -5.510 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.222 -5.535 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.464 -6.992 -9.456 1.00 0.00 H new ATOM 57 N SER A 9 2.982 -2.832 -9.392 1.00 0.00 N ATOM 58 CA SER A 9 2.391 -1.580 -9.846 1.00 0.00 C ATOM 59 C SER A 9 2.632 -0.422 -8.870 1.00 0.00 C ATOM 60 O SER A 9 2.581 0.742 -9.257 1.00 0.00 O ATOM 61 CB SER A 9 0.888 -1.827 -10.015 1.00 0.00 C ATOM 62 OG SER A 9 0.444 -2.817 -9.100 1.00 0.00 O ATOM 0 H SER A 9 2.294 -3.559 -9.195 1.00 0.00 H new ATOM 0 HA SER A 9 2.859 -1.283 -10.784 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.340 -0.899 -9.851 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.678 -2.146 -11.036 1.00 0.00 H new ATOM 0 HG SER A 9 -0.495 -2.654 -8.871 1.00 0.00 H new ATOM 63 N CYS A 10 2.874 -0.743 -7.602 1.00 0.00 N ATOM 64 CA CYS A 10 3.072 0.196 -6.510 1.00 0.00 C ATOM 65 C CYS A 10 4.525 0.623 -6.456 1.00 0.00 C ATOM 66 O CYS A 10 4.841 1.778 -6.159 1.00 0.00 O ATOM 67 CB CYS A 10 2.681 -0.505 -5.210 1.00 0.00 C ATOM 68 SG CYS A 10 1.206 -1.557 -5.333 1.00 0.00 S ATOM 0 H CYS A 10 2.940 -1.714 -7.297 1.00 0.00 H new ATOM 0 HA CYS A 10 2.459 1.086 -6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.520 -1.115 -4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.510 0.250 -4.443 1.00 0.00 H new ATOM 69 N ILE A 11 5.401 -0.336 -6.767 1.00 0.00 N ATOM 70 CA ILE A 11 6.840 -0.163 -6.798 1.00 0.00 C ATOM 71 C ILE A 11 7.214 1.095 -7.593 1.00 0.00 C ATOM 72 O ILE A 11 8.197 1.751 -7.265 1.00 0.00 O ATOM 73 CB ILE A 11 7.488 -1.472 -7.313 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.497 -2.003 -6.288 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.206 -1.310 -8.662 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.836 -2.492 -4.991 1.00 0.00 C ATOM 0 H ILE A 11 5.110 -1.283 -7.011 1.00 0.00 H new ATOM 0 HA ILE A 11 7.238 0.011 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 11 6.667 -2.174 -7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.061 -2.823 -6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.213 -1.216 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.636 -2.265 -8.962 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.492 -0.980 -9.417 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.000 -0.569 -8.565 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.603 -2.855 -4.307 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.295 -1.668 -4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.141 -3.300 -5.219 1.00 0.00 H new ATOM 77 N GLY A 12 6.430 1.462 -8.610 1.00 0.00 N ATOM 78 CA GLY A 12 6.683 2.663 -9.388 1.00 0.00 C ATOM 79 C GLY A 12 6.686 3.926 -8.515 1.00 0.00 C ATOM 80 O GLY A 12 7.557 4.780 -8.672 1.00 0.00 O ATOM 0 H GLY A 12 5.610 0.935 -8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.644 2.571 -9.895 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.922 2.760 -10.162 1.00 0.00 H new ATOM 81 N CYS A 13 5.725 4.052 -7.590 1.00 0.00 N ATOM 82 CA CYS A 13 5.615 5.228 -6.725 1.00 0.00 C ATOM 83 C CYS A 13 6.405 5.052 -5.429 1.00 0.00 C ATOM 84 O CYS A 13 7.024 6.010 -4.974 1.00 0.00 O ATOM 85 CB CYS A 13 4.143 5.558 -6.408 1.00 0.00 C ATOM 86 SG CYS A 13 3.392 6.786 -7.521 1.00 0.00 S ATOM 0 H CYS A 13 5.008 3.346 -7.423 1.00 0.00 H new ATOM 0 HA CYS A 13 6.046 6.065 -7.275 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.559 4.639 -6.454 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.078 5.926 -5.384 1.00 0.00 H new ATOM 87 N HIS A 14 6.398 3.853 -4.836 1.00 0.00 N ATOM 88 CA HIS A 14 7.060 3.601 -3.554 1.00 0.00 C ATOM 89 C HIS A 14 8.515 3.128 -3.654 1.00 0.00 C ATOM 90 O HIS A 14 9.287 3.325 -2.713 1.00 0.00 O ATOM 91 CB HIS A 14 6.198 2.603 -2.776 1.00 0.00 C ATOM 92 CG HIS A 14 4.901 3.233 -2.341 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.878 4.300 -1.459 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.589 3.021 -2.693 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.597 4.664 -1.309 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.758 3.927 -2.040 1.00 0.00 N ATOM 0 H HIS A 14 5.935 3.034 -5.230 1.00 0.00 H new ATOM 0 HA HIS A 14 7.140 4.554 -3.031 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.992 1.732 -3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.745 2.248 -1.902 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.686 4.729 -1.007 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.251 2.259 -3.379 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.277 5.469 -0.664 1.00 0.00 H new ATOM 97 N GLY A 15 8.918 2.536 -4.777 1.00 0.00 N ATOM 98 CA GLY A 15 10.270 2.035 -4.971 1.00 0.00 C ATOM 99 C GLY A 15 10.408 0.611 -4.438 1.00 0.00 C ATOM 100 O GLY A 15 9.647 0.186 -3.569 1.00 0.00 O ATOM 0 H GLY A 15 8.308 2.391 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.521 2.056 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.980 2.688 -4.463 1.00 0.00 H new ATOM 101 N ALA A 16 11.388 -0.135 -4.963 1.00 0.00 N ATOM 102 CA ALA A 16 11.661 -1.514 -4.560 1.00 0.00 C ATOM 103 C ALA A 16 11.805 -1.603 -3.042 1.00 0.00 C ATOM 104 O ALA A 16 11.260 -2.499 -2.403 1.00 0.00 O ATOM 105 CB ALA A 16 12.936 -2.000 -5.254 1.00 0.00 C ATOM 0 H ALA A 16 12.019 0.209 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 16 10.829 -2.152 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.143 -3.028 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.802 -1.955 -6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.772 -1.363 -4.966 1.00 0.00 H new ATOM 106 N ASP A 17 12.535 -0.639 -2.481 1.00 0.00 N ATOM 107 CA ASP A 17 12.826 -0.488 -1.082 1.00 0.00 C ATOM 108 C ASP A 17 11.768 0.315 -0.331 1.00 0.00 C ATOM 109 O ASP A 17 12.072 0.779 0.762 1.00 0.00 O ATOM 110 CB ASP A 17 14.199 0.195 -0.945 1.00 0.00 C ATOM 111 CG ASP A 17 14.224 1.654 -1.420 1.00 0.00 C ATOM 112 OD1 ASP A 17 13.161 2.159 -1.855 1.00 0.00 O ATOM 113 OD2 ASP A 17 15.322 2.244 -1.354 1.00 0.00 O ATOM 0 H ASP A 17 12.960 0.099 -3.042 1.00 0.00 H new ATOM 0 HA ASP A 17 12.831 -1.481 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 17 14.508 0.159 0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.934 -0.374 -1.514 1.00 0.00 H new ATOM 114 N GLY A 18 10.596 0.570 -0.929 1.00 0.00 N ATOM 115 CA GLY A 18 9.493 1.326 -0.344 1.00 0.00 C ATOM 116 C GLY A 18 9.877 2.659 0.294 1.00 0.00 C ATOM 117 O GLY A 18 9.108 3.170 1.113 1.00 0.00 O ATOM 0 H GLY A 18 10.388 0.240 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.752 1.515 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.011 0.706 0.412 1.00 0.00 H new ATOM 118 N SER A 19 11.036 3.216 -0.069 1.00 0.00 N ATOM 119 CA SER A 19 11.550 4.440 0.521 1.00 0.00 C ATOM 120 C SER A 19 11.201 5.680 -0.296 1.00 0.00 C ATOM 121 O SER A 19 11.433 6.789 0.181 1.00 0.00 O ATOM 122 CB SER A 19 13.065 4.301 0.691 1.00 0.00 C ATOM 123 OG SER A 19 13.351 3.165 1.489 1.00 0.00 O ATOM 0 H SER A 19 11.643 2.821 -0.787 1.00 0.00 H new ATOM 0 HA SER A 19 11.074 4.581 1.492 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.543 4.203 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.473 5.198 1.157 1.00 0.00 H new ATOM 0 HG SER A 19 12.930 2.373 1.094 1.00 0.00 H new ATOM 124 N LYS A 20 10.675 5.534 -1.516 1.00 0.00 N ATOM 125 CA LYS A 20 10.316 6.713 -2.285 1.00 0.00 C ATOM 126 C LYS A 20 9.067 7.314 -1.643 1.00 0.00 C ATOM 127 O LYS A 20 8.016 6.669 -1.603 1.00 0.00 O ATOM 128 CB LYS A 20 10.064 6.377 -3.761 1.00 0.00 C ATOM 129 CG LYS A 20 11.319 5.840 -4.458 1.00 0.00 C ATOM 130 CD LYS A 20 11.067 5.426 -5.918 1.00 0.00 C ATOM 131 CE LYS A 20 10.560 6.569 -6.809 1.00 0.00 C ATOM 132 NZ LYS A 20 9.088 6.601 -6.891 1.00 0.00 N ATOM 0 H LYS A 20 10.496 4.640 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 20 11.139 7.427 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.267 5.637 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.717 7.270 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.097 6.603 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.696 4.981 -3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.992 5.033 -6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.339 4.615 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.921 7.520 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.976 6.458 -7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.772 7.573 -7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.769 5.975 -7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.683 6.278 -5.989 1.00 0.00 H new ATOM 133 N ALA A 21 9.187 8.529 -1.101 1.00 0.00 N ATOM 134 CA ALA A 21 8.060 9.231 -0.511 1.00 0.00 C ATOM 135 C ALA A 21 7.165 9.635 -1.682 1.00 0.00 C ATOM 136 O ALA A 21 7.284 10.718 -2.245 1.00 0.00 O ATOM 137 CB ALA A 21 8.544 10.423 0.319 1.00 0.00 C ATOM 0 H ALA A 21 10.066 9.045 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 21 7.499 8.610 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.686 10.937 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.197 10.070 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.094 11.113 -0.321 1.00 0.00 H new ATOM 138 N ALA A 22 6.308 8.701 -2.080 1.00 0.00 N ATOM 139 CA ALA A 22 5.410 8.798 -3.206 1.00 0.00 C ATOM 140 C ALA A 22 4.579 10.077 -3.273 1.00 0.00 C ATOM 141 O ALA A 22 4.149 10.597 -2.248 1.00 0.00 O ATOM 142 CB ALA A 22 4.493 7.579 -3.191 1.00 0.00 C ATOM 0 H ALA A 22 6.223 7.809 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 22 6.036 8.832 -4.098 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.805 7.631 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.092 6.672 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.926 7.562 -2.260 1.00 0.00 H new ATOM 143 N MET A 23 4.333 10.508 -4.517 1.00 0.00 N ATOM 144 CA MET A 23 3.558 11.653 -4.986 1.00 0.00 C ATOM 145 C MET A 23 3.514 12.834 -4.010 1.00 0.00 C ATOM 146 O MET A 23 4.308 13.762 -4.124 1.00 0.00 O ATOM 147 CB MET A 23 2.158 11.142 -5.374 1.00 0.00 C ATOM 148 CG MET A 23 1.219 12.217 -5.943 1.00 0.00 C ATOM 149 SD MET A 23 1.843 13.193 -7.338 1.00 0.00 S ATOM 150 CE MET A 23 2.002 11.910 -8.600 1.00 0.00 C ATOM 0 H MET A 23 4.722 9.997 -5.310 1.00 0.00 H new ATOM 0 HA MET A 23 4.059 12.078 -5.855 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.267 10.347 -6.111 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.691 10.699 -4.494 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.295 11.730 -6.255 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.961 12.904 -5.137 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.360 12.355 -9.528 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.711 11.154 -8.263 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.031 11.446 -8.771 1.00 0.00 H new ATOM 151 N GLY A 24 2.564 12.820 -3.073 1.00 0.00 N ATOM 152 CA GLY A 24 2.382 13.883 -2.098 1.00 0.00 C ATOM 153 C GLY A 24 3.610 14.130 -1.227 1.00 0.00 C ATOM 154 O GLY A 24 3.808 15.238 -0.729 1.00 0.00 O ATOM 0 H GLY A 24 1.894 12.058 -2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.127 14.805 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.536 13.636 -1.457 1.00 0.00 H new ATOM 155 N SER A 25 4.388 13.068 -1.029 1.00 0.00 N ATOM 156 CA SER A 25 5.599 12.883 -0.244 1.00 0.00 C ATOM 157 C SER A 25 5.204 11.901 0.857 1.00 0.00 C ATOM 158 O SER A 25 5.163 12.271 2.031 1.00 0.00 O ATOM 159 CB SER A 25 6.209 14.180 0.318 1.00 0.00 C ATOM 160 OG SER A 25 6.496 15.092 -0.722 1.00 0.00 O ATOM 0 H SER A 25 4.142 12.190 -1.486 1.00 0.00 H new ATOM 0 HA SER A 25 6.403 12.505 -0.876 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.517 14.635 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.122 13.949 0.868 1.00 0.00 H new ATOM 0 HG SER A 25 5.698 15.626 -0.918 1.00 0.00 H new ATOM 161 N ALA A 26 4.869 10.660 0.472 1.00 0.00 N ATOM 162 CA ALA A 26 4.431 9.645 1.391 1.00 0.00 C ATOM 163 C ALA A 26 5.363 9.321 2.542 1.00 0.00 C ATOM 164 O ALA A 26 6.583 9.326 2.394 1.00 0.00 O ATOM 165 CB ALA A 26 4.267 8.346 0.588 1.00 0.00 C ATOM 0 H ALA A 26 4.901 10.348 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 26 3.521 10.041 1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.934 7.548 1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.528 8.496 -0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.222 8.072 0.141 1.00 0.00 H new ATOM 166 N LYS A 27 4.757 8.980 3.679 1.00 0.00 N ATOM 167 CA LYS A 27 5.490 8.470 4.824 1.00 0.00 C ATOM 168 C LYS A 27 6.050 7.138 4.301 1.00 0.00 C ATOM 169 O LYS A 27 5.231 6.281 3.961 1.00 0.00 O ATOM 170 CB LYS A 27 4.539 8.203 6.001 1.00 0.00 C ATOM 171 CG LYS A 27 3.813 9.455 6.511 1.00 0.00 C ATOM 172 CD LYS A 27 2.879 9.135 7.692 1.00 0.00 C ATOM 173 CE LYS A 27 1.891 7.983 7.431 1.00 0.00 C ATOM 174 NZ LYS A 27 1.075 8.195 6.220 1.00 0.00 N ATOM 0 H LYS A 27 3.750 9.051 3.826 1.00 0.00 H new ATOM 0 HA LYS A 27 6.251 9.161 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.798 7.464 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.107 7.765 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.547 10.200 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.234 9.895 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.487 8.886 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.313 10.032 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.446 7.050 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.233 7.872 8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.702 7.283 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.284 8.833 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.663 8.619 5.475 1.00 0.00 H new ATOM 175 N PRO A 28 7.378 6.953 4.172 1.00 0.00 N ATOM 176 CA PRO A 28 7.983 5.737 3.638 1.00 0.00 C ATOM 177 C PRO A 28 7.200 4.480 4.013 1.00 0.00 C ATOM 178 O PRO A 28 7.102 4.157 5.195 1.00 0.00 O ATOM 179 CB PRO A 28 9.407 5.724 4.195 1.00 0.00 C ATOM 180 CG PRO A 28 9.745 7.215 4.214 1.00 0.00 C ATOM 181 CD PRO A 28 8.420 7.860 4.629 1.00 0.00 C ATOM 0 HA PRO A 28 7.978 5.735 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.454 5.281 5.190 1.00 0.00 H new ATOM 0 HB3 PRO A 28 10.089 5.157 3.561 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.543 7.439 4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.077 7.567 3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.373 7.997 5.709 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.306 8.846 4.177 1.00 0.00 H new ATOM 182 N VAL A 29 6.595 3.798 3.030 1.00 0.00 N ATOM 183 CA VAL A 29 5.828 2.596 3.337 1.00 0.00 C ATOM 184 C VAL A 29 6.815 1.553 3.880 1.00 0.00 C ATOM 185 O VAL A 29 6.445 0.713 4.694 1.00 0.00 O ATOM 186 CB VAL A 29 4.948 2.136 2.165 1.00 0.00 C ATOM 187 CG1 VAL A 29 3.945 3.236 1.802 1.00 0.00 C ATOM 188 CG2 VAL A 29 5.702 1.736 0.907 1.00 0.00 C ATOM 0 H VAL A 29 6.623 4.054 2.043 1.00 0.00 H new ATOM 0 HA VAL A 29 5.084 2.789 4.110 1.00 0.00 H new ATOM 0 HB VAL A 29 4.453 1.234 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.325 2.903 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.312 3.450 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.484 4.139 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.992 1.427 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.282 2.585 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.374 0.908 1.133 1.00 0.00 H new ATOM 189 N LYS A 30 8.079 1.605 3.437 1.00 0.00 N ATOM 190 CA LYS A 30 9.162 0.793 3.961 1.00 0.00 C ATOM 191 C LYS A 30 9.269 0.957 5.466 1.00 0.00 C ATOM 192 O LYS A 30 9.691 1.994 5.976 1.00 0.00 O ATOM 193 CB LYS A 30 10.453 1.225 3.279 1.00 0.00 C ATOM 194 CG LYS A 30 11.797 0.923 3.961 1.00 0.00 C ATOM 195 CD LYS A 30 12.054 -0.571 4.147 1.00 0.00 C ATOM 196 CE LYS A 30 13.432 -0.790 4.778 1.00 0.00 C ATOM 197 NZ LYS A 30 13.713 -2.227 4.927 1.00 0.00 N ATOM 0 H LYS A 30 8.373 2.230 2.687 1.00 0.00 H new ATOM 0 HA LYS A 30 8.971 -0.261 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.474 0.762 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.398 2.303 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.603 1.353 3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.822 1.413 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.281 -1.005 4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.000 -1.080 3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.199 -0.327 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.473 -0.303 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.678 -2.356 5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.032 -2.647 5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.628 -2.695 4.002 1.00 0.00 H new ATOM 198 N GLY A 31 8.876 -0.103 6.157 1.00 0.00 N ATOM 199 CA GLY A 31 8.940 -0.183 7.601 1.00 0.00 C ATOM 200 C GLY A 31 7.559 -0.094 8.220 1.00 0.00 C ATOM 201 O GLY A 31 7.423 -0.371 9.411 1.00 0.00 O ATOM 0 H GLY A 31 8.498 -0.943 5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.413 -1.120 7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.565 0.623 7.985 1.00 0.00 H new ATOM 202 N GLN A 32 6.534 0.306 7.454 1.00 0.00 N ATOM 203 CA GLN A 32 5.208 0.349 8.010 1.00 0.00 C ATOM 204 C GLN A 32 4.833 -1.115 8.336 1.00 0.00 C ATOM 205 O GLN A 32 5.231 -2.032 7.622 1.00 0.00 O ATOM 206 CB GLN A 32 4.220 1.095 7.090 1.00 0.00 C ATOM 207 CG GLN A 32 4.454 2.619 6.862 1.00 0.00 C ATOM 208 CD GLN A 32 3.322 3.295 6.045 1.00 0.00 C ATOM 209 OE1 GLN A 32 2.198 2.807 6.103 1.00 0.00 O ATOM 210 NE2 GLN A 32 3.546 4.388 5.287 1.00 0.00 N ATOM 0 H GLN A 32 6.609 0.593 6.478 1.00 0.00 H new ATOM 0 HA GLN A 32 5.162 0.935 8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.232 0.604 6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.218 0.967 7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.542 3.115 7.829 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.402 2.761 6.343 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.481 4.793 5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.780 4.810 4.761 1.00 0.00 H new ATOM 211 N GLY A 33 4.121 -1.354 9.441 1.00 0.00 N ATOM 212 CA GLY A 33 3.786 -2.707 9.900 1.00 0.00 C ATOM 213 C GLY A 33 2.544 -3.277 9.220 1.00 0.00 C ATOM 214 O GLY A 33 1.621 -2.521 8.960 1.00 0.00 O ATOM 0 H GLY A 33 3.760 -0.615 10.044 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.632 -3.368 9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.628 -2.690 10.978 1.00 0.00 H new ATOM 215 N ALA A 34 2.484 -4.593 8.974 1.00 0.00 N ATOM 216 CA ALA A 34 1.385 -5.291 8.306 1.00 0.00 C ATOM 217 C ALA A 34 0.028 -4.849 8.820 1.00 0.00 C ATOM 218 O ALA A 34 -0.850 -4.522 8.032 1.00 0.00 O ATOM 219 CB ALA A 34 1.503 -6.810 8.502 1.00 0.00 C ATOM 0 H ALA A 34 3.236 -5.225 9.249 1.00 0.00 H new ATOM 0 HA ALA A 34 1.461 -5.038 7.248 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.675 -7.307 7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.447 -7.159 8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.471 -7.043 9.566 1.00 0.00 H new ATOM 220 N GLU A 35 -0.145 -4.858 10.141 1.00 0.00 N ATOM 221 CA GLU A 35 -1.407 -4.455 10.747 1.00 0.00 C ATOM 222 C GLU A 35 -1.761 -3.043 10.275 1.00 0.00 C ATOM 223 O GLU A 35 -2.872 -2.789 9.817 1.00 0.00 O ATOM 224 CB GLU A 35 -1.293 -4.538 12.278 1.00 0.00 C ATOM 225 CG GLU A 35 -2.598 -4.154 12.994 1.00 0.00 C ATOM 226 CD GLU A 35 -3.782 -5.020 12.569 1.00 0.00 C ATOM 227 OE1 GLU A 35 -3.631 -6.259 12.637 1.00 0.00 O ATOM 228 OE2 GLU A 35 -4.813 -4.428 12.182 1.00 0.00 O ATOM 0 H GLU A 35 0.573 -5.140 10.808 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.210 -5.125 10.440 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.013 -5.552 12.562 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.492 -3.880 12.614 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.456 -4.243 14.071 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.826 -3.108 12.788 1.00 0.00 H new ATOM 229 N GLU A 36 -0.782 -2.141 10.361 1.00 0.00 N ATOM 230 CA GLU A 36 -0.915 -0.755 9.960 1.00 0.00 C ATOM 231 C GLU A 36 -1.286 -0.711 8.474 1.00 0.00 C ATOM 232 O GLU A 36 -2.361 -0.246 8.108 1.00 0.00 O ATOM 233 CB GLU A 36 0.415 -0.035 10.268 1.00 0.00 C ATOM 234 CG GLU A 36 0.219 1.451 10.590 1.00 0.00 C ATOM 235 CD GLU A 36 -0.594 1.675 11.861 1.00 0.00 C ATOM 236 OE1 GLU A 36 -0.109 1.241 12.928 1.00 0.00 O ATOM 237 OE2 GLU A 36 -1.686 2.272 11.738 1.00 0.00 O ATOM 0 H GLU A 36 0.145 -2.368 10.721 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.705 -0.242 10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.902 -0.525 11.111 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.084 -0.133 9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.194 1.927 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.282 1.937 9.753 1.00 0.00 H new ATOM 238 N LEU A 37 -0.398 -1.234 7.627 1.00 0.00 N ATOM 239 CA LEU A 37 -0.541 -1.302 6.191 1.00 0.00 C ATOM 240 C LEU A 37 -1.900 -1.868 5.775 1.00 0.00 C ATOM 241 O LEU A 37 -2.516 -1.364 4.839 1.00 0.00 O ATOM 242 CB LEU A 37 0.573 -2.175 5.577 1.00 0.00 C ATOM 243 CG LEU A 37 2.018 -1.665 5.750 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.005 -2.834 5.701 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.373 -0.734 4.595 1.00 0.00 C ATOM 0 H LEU A 37 0.480 -1.639 7.951 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.464 -0.281 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.507 -3.171 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.374 -2.283 4.511 1.00 0.00 H new ATOM 0 HG LEU A 37 2.081 -1.150 6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.021 -2.458 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.778 -3.536 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.920 -3.342 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.394 -0.374 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.290 -1.275 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.688 0.114 4.587 1.00 0.00 H new ATOM 246 N TYR A 38 -2.378 -2.911 6.454 1.00 0.00 N ATOM 247 CA TYR A 38 -3.618 -3.566 6.105 1.00 0.00 C ATOM 248 C TYR A 38 -4.806 -2.754 6.567 1.00 0.00 C ATOM 249 O TYR A 38 -5.794 -2.658 5.850 1.00 0.00 O ATOM 250 CB TYR A 38 -3.636 -4.959 6.728 1.00 0.00 C ATOM 251 CG TYR A 38 -4.751 -5.851 6.223 1.00 0.00 C ATOM 252 CD1 TYR A 38 -4.945 -6.003 4.838 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.601 -6.519 7.125 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.002 -6.788 4.362 1.00 0.00 C ATOM 255 CE2 TYR A 38 -6.620 -7.358 6.640 1.00 0.00 C ATOM 256 CZ TYR A 38 -6.804 -7.507 5.256 1.00 0.00 C ATOM 257 OH TYR A 38 -7.746 -8.360 4.772 1.00 0.00 O ATOM 0 H TYR A 38 -1.908 -3.319 7.262 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.686 -3.654 5.021 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.680 -5.445 6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.727 -4.860 7.810 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.279 -5.514 4.142 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.470 -6.387 8.189 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.199 -6.839 3.301 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.260 -7.887 7.331 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.496 -8.645 3.868 1.00 0.00 H new ATOM 258 N LYS A 39 -4.721 -2.178 7.763 1.00 0.00 N ATOM 259 CA LYS A 39 -5.796 -1.349 8.282 1.00 0.00 C ATOM 260 C LYS A 39 -5.962 -0.167 7.328 1.00 0.00 C ATOM 261 O LYS A 39 -7.073 0.199 6.945 1.00 0.00 O ATOM 262 CB LYS A 39 -5.447 -0.924 9.718 1.00 0.00 C ATOM 263 CG LYS A 39 -6.525 -0.094 10.430 1.00 0.00 C ATOM 264 CD LYS A 39 -6.392 1.415 10.162 1.00 0.00 C ATOM 265 CE LYS A 39 -7.386 2.231 10.998 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.106 2.139 12.442 1.00 0.00 N ATOM 0 H LYS A 39 -3.920 -2.272 8.387 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.746 -1.880 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.251 -1.819 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.522 -0.348 9.696 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.509 -0.430 10.105 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.465 -0.274 11.503 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.376 1.737 10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.559 1.612 9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.348 3.275 10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.398 1.878 10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.650 2.866 12.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.379 1.198 12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.090 2.288 12.609 1.00 0.00 H new ATOM 267 N LYS A 40 -4.832 0.403 6.909 1.00 0.00 N ATOM 268 CA LYS A 40 -4.778 1.527 6.017 1.00 0.00 C ATOM 269 C LYS A 40 -5.341 1.146 4.645 1.00 0.00 C ATOM 270 O LYS A 40 -6.259 1.799 4.147 1.00 0.00 O ATOM 271 CB LYS A 40 -3.316 1.953 5.953 1.00 0.00 C ATOM 272 CG LYS A 40 -2.884 2.714 7.215 1.00 0.00 C ATOM 273 CD LYS A 40 -1.369 2.949 7.187 1.00 0.00 C ATOM 274 CE LYS A 40 -0.969 4.144 8.058 1.00 0.00 C ATOM 275 NZ LYS A 40 0.470 4.431 7.927 1.00 0.00 N ATOM 0 H LYS A 40 -3.910 0.075 7.198 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.390 2.358 6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.687 1.072 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.160 2.584 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.408 3.668 7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.157 2.146 8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.855 2.054 7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.046 3.121 6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.547 5.021 7.767 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.209 3.936 9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.882 4.580 8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.943 3.628 7.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.602 5.288 7.353 1.00 0.00 H new ATOM 276 N MET A 41 -4.815 0.083 4.026 1.00 0.00 N ATOM 277 CA MET A 41 -5.298 -0.342 2.732 1.00 0.00 C ATOM 278 C MET A 41 -6.764 -0.736 2.809 1.00 0.00 C ATOM 279 O MET A 41 -7.481 -0.467 1.860 1.00 0.00 O ATOM 280 CB MET A 41 -4.453 -1.487 2.191 1.00 0.00 C ATOM 281 CG MET A 41 -3.161 -0.953 1.564 1.00 0.00 C ATOM 282 SD MET A 41 -2.264 -2.164 0.573 1.00 0.00 S ATOM 283 CE MET A 41 -1.958 -3.399 1.846 1.00 0.00 C ATOM 0 H MET A 41 -4.060 -0.487 4.407 1.00 0.00 H new ATOM 0 HA MET A 41 -5.210 0.497 2.041 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.213 -2.181 2.996 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.021 -2.046 1.447 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.402 -0.095 0.937 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.507 -0.594 2.358 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.260 -4.146 1.468 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.532 -2.917 2.726 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.896 -3.883 2.116 1.00 0.00 H new ATOM 284 N LYS A 42 -7.234 -1.366 3.887 1.00 0.00 N ATOM 285 CA LYS A 42 -8.645 -1.704 4.013 1.00 0.00 C ATOM 286 C LYS A 42 -9.430 -0.388 4.032 1.00 0.00 C ATOM 287 O LYS A 42 -10.431 -0.241 3.331 1.00 0.00 O ATOM 288 CB LYS A 42 -8.866 -2.566 5.262 1.00 0.00 C ATOM 289 CG LYS A 42 -10.305 -3.093 5.336 1.00 0.00 C ATOM 290 CD LYS A 42 -10.518 -4.067 6.506 1.00 0.00 C ATOM 291 CE LYS A 42 -9.653 -5.337 6.445 1.00 0.00 C ATOM 292 NZ LYS A 42 -9.811 -6.061 5.170 1.00 0.00 N ATOM 0 H LYS A 42 -6.658 -1.650 4.680 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.999 -2.303 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.170 -3.405 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.646 -1.979 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.991 -2.252 5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.553 -3.595 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.309 -3.545 7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.568 -4.359 6.533 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.606 -5.067 6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.921 -5.997 7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.159 -6.871 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.790 -6.402 5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.595 -5.422 4.379 1.00 0.00 H new ATOM 293 N GLY A 43 -8.943 0.591 4.803 1.00 0.00 N ATOM 294 CA GLY A 43 -9.535 1.912 4.873 1.00 0.00 C ATOM 295 C GLY A 43 -9.686 2.500 3.467 1.00 0.00 C ATOM 296 O GLY A 43 -10.735 3.057 3.149 1.00 0.00 O ATOM 0 H GLY A 43 -8.121 0.478 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.509 1.856 5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.912 2.566 5.483 1.00 0.00 H new ATOM 297 N TYR A 44 -8.648 2.392 2.627 1.00 0.00 N ATOM 298 CA TYR A 44 -8.711 2.886 1.256 1.00 0.00 C ATOM 299 C TYR A 44 -9.667 2.018 0.425 1.00 0.00 C ATOM 300 O TYR A 44 -10.518 2.540 -0.286 1.00 0.00 O ATOM 301 CB TYR A 44 -7.304 2.889 0.630 1.00 0.00 C ATOM 302 CG TYR A 44 -6.273 3.790 1.281 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.620 5.084 1.698 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.926 3.389 1.352 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.702 5.856 2.421 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.974 4.224 1.960 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.379 5.418 2.575 1.00 0.00 C ATOM 308 OH TYR A 44 -3.483 6.224 3.212 1.00 0.00 O ATOM 0 H TYR A 44 -7.756 1.966 2.879 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.090 3.908 1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.922 1.868 0.645 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.397 3.179 -0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.595 5.485 1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.624 2.438 0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.014 6.792 2.861 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.930 3.947 1.954 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.797 6.406 4.122 1.00 0.00 H new ATOM 309 N ALA A 45 -9.546 0.692 0.534 1.00 0.00 N ATOM 310 CA ALA A 45 -10.325 -0.314 -0.179 1.00 0.00 C ATOM 311 C ALA A 45 -11.814 0.019 -0.084 1.00 0.00 C ATOM 312 O ALA A 45 -12.512 0.098 -1.091 1.00 0.00 O ATOM 313 CB ALA A 45 -10.088 -1.703 0.421 1.00 0.00 C ATOM 0 H ALA A 45 -8.860 0.271 1.161 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.009 -0.315 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.678 -2.440 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.031 -1.956 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.387 -1.702 1.469 1.00 0.00 H new ATOM 314 N ASP A 46 -12.277 0.237 1.153 1.00 0.00 N ATOM 315 CA ASP A 46 -13.668 0.541 1.466 1.00 0.00 C ATOM 316 C ASP A 46 -13.971 2.045 1.405 1.00 0.00 C ATOM 317 O ASP A 46 -15.038 2.461 1.848 1.00 0.00 O ATOM 318 CB ASP A 46 -13.989 -0.005 2.867 1.00 0.00 C ATOM 319 CG ASP A 46 -13.806 -1.516 2.967 1.00 0.00 C ATOM 320 OD1 ASP A 46 -14.445 -2.223 2.158 1.00 0.00 O ATOM 321 OD2 ASP A 46 -13.038 -1.942 3.857 1.00 0.00 O ATOM 0 H ASP A 46 -11.678 0.205 1.978 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.296 0.064 0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -13.346 0.484 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.017 0.250 3.125 1.00 0.00 H new ATOM 322 N GLY A 47 -13.053 2.872 0.891 1.00 0.00 N ATOM 323 CA GLY A 47 -13.227 4.316 0.783 1.00 0.00 C ATOM 324 C GLY A 47 -13.616 4.973 2.111 1.00 0.00 C ATOM 325 O GLY A 47 -14.365 5.947 2.124 1.00 0.00 O ATOM 0 H GLY A 47 -12.155 2.546 0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.301 4.762 0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.995 4.529 0.040 1.00 0.00 H new ATOM 326 N SER A 48 -13.096 4.446 3.223 1.00 0.00 N ATOM 327 CA SER A 48 -13.352 4.931 4.574 1.00 0.00 C ATOM 328 C SER A 48 -12.187 5.814 5.050 1.00 0.00 C ATOM 329 O SER A 48 -12.375 6.681 5.900 1.00 0.00 O ATOM 330 CB SER A 48 -13.617 3.721 5.488 1.00 0.00 C ATOM 331 OG SER A 48 -14.075 4.136 6.759 1.00 0.00 O ATOM 0 H SER A 48 -12.466 3.644 3.203 1.00 0.00 H new ATOM 0 HA SER A 48 -14.238 5.565 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.357 3.068 5.026 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.703 3.138 5.600 1.00 0.00 H new ATOM 0 HG SER A 48 -14.238 3.350 7.321 1.00 0.00 H new ATOM 332 N TYR A 49 -10.982 5.619 4.498 1.00 0.00 N ATOM 333 CA TYR A 49 -9.784 6.386 4.817 1.00 0.00 C ATOM 334 C TYR A 49 -9.298 7.014 3.514 1.00 0.00 C ATOM 335 O TYR A 49 -9.508 6.433 2.452 1.00 0.00 O ATOM 336 CB TYR A 49 -8.718 5.435 5.393 1.00 0.00 C ATOM 337 CG TYR A 49 -7.332 5.995 5.693 1.00 0.00 C ATOM 338 CD1 TYR A 49 -7.144 7.320 6.135 1.00 0.00 C ATOM 339 CD2 TYR A 49 -6.207 5.165 5.510 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.843 7.838 6.262 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.909 5.662 5.723 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.729 7.005 6.092 1.00 0.00 C ATOM 343 OH TYR A 49 -3.485 7.527 6.270 1.00 0.00 O ATOM 0 H TYR A 49 -10.815 4.899 3.795 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.984 7.161 5.557 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.113 5.014 6.318 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.598 4.608 4.693 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.998 7.936 6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.343 4.138 5.204 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.701 8.884 6.492 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.054 5.013 5.603 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.812 6.864 6.011 1.00 0.00 H new ATOM 344 N GLY A 50 -8.680 8.195 3.581 1.00 0.00 N ATOM 345 CA GLY A 50 -8.112 8.871 2.432 1.00 0.00 C ATOM 346 C GLY A 50 -8.149 10.385 2.566 1.00 0.00 C ATOM 347 O GLY A 50 -8.507 10.944 3.599 1.00 0.00 O ATOM 0 H GLY A 50 -8.563 8.710 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.080 8.547 2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.657 8.576 1.536 1.00 0.00 H new ATOM 348 N GLY A 51 -7.703 11.004 1.481 1.00 0.00 N ATOM 349 CA GLY A 51 -7.514 12.379 1.157 1.00 0.00 C ATOM 350 C GLY A 51 -6.985 12.412 -0.268 1.00 0.00 C ATOM 351 O GLY A 51 -6.881 11.366 -0.904 1.00 0.00 O ATOM 0 H GLY A 51 -7.423 10.433 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.451 12.930 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.810 12.847 1.844 1.00 0.00 H new ATOM 352 N GLU A 52 -6.619 13.600 -0.735 1.00 0.00 N ATOM 353 CA GLU A 52 -6.102 13.844 -2.080 1.00 0.00 C ATOM 354 C GLU A 52 -5.018 12.818 -2.423 1.00 0.00 C ATOM 355 O GLU A 52 -5.156 12.056 -3.378 1.00 0.00 O ATOM 356 CB GLU A 52 -5.555 15.279 -2.184 1.00 0.00 C ATOM 357 CG GLU A 52 -6.653 16.359 -2.198 1.00 0.00 C ATOM 358 CD GLU A 52 -7.405 16.531 -0.878 1.00 0.00 C ATOM 359 OE1 GLU A 52 -6.817 16.186 0.173 1.00 0.00 O ATOM 360 OE2 GLU A 52 -8.562 16.996 -0.943 1.00 0.00 O ATOM 0 H GLU A 52 -6.675 14.448 -0.171 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.914 13.735 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.885 15.465 -1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.959 15.367 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.200 17.313 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.372 16.115 -2.980 1.00 0.00 H new ATOM 361 N ARG A 53 -3.954 12.784 -1.613 1.00 0.00 N ATOM 362 CA ARG A 53 -2.841 11.856 -1.761 1.00 0.00 C ATOM 363 C ARG A 53 -3.339 10.426 -1.981 1.00 0.00 C ATOM 364 O ARG A 53 -2.893 9.700 -2.865 1.00 0.00 O ATOM 365 CB ARG A 53 -2.026 11.846 -0.454 1.00 0.00 C ATOM 366 CG ARG A 53 -1.136 13.070 -0.223 1.00 0.00 C ATOM 367 CD ARG A 53 -0.285 12.821 1.035 1.00 0.00 C ATOM 368 NE ARG A 53 0.864 13.733 1.134 1.00 0.00 N ATOM 369 CZ ARG A 53 1.953 13.474 1.878 1.00 0.00 C ATOM 370 NH1 ARG A 53 1.982 12.440 2.722 1.00 0.00 N ATOM 371 NH2 ARG A 53 3.043 14.236 1.772 1.00 0.00 N ATOM 0 H ARG A 53 -3.846 13.417 -0.821 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.247 12.178 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.717 11.758 0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.398 10.955 -0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.494 13.241 -1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.746 13.964 -0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.911 12.935 1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.073 11.792 1.028 1.00 0.00 H new ATOM 0 HE ARG A 53 0.833 14.608 0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.169 11.831 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.818 12.259 3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.054 15.022 1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.865 14.032 2.341 1.00 0.00 H new ATOM 372 N LYS A 54 -4.287 10.047 -1.131 1.00 0.00 N ATOM 373 CA LYS A 54 -4.867 8.746 -1.007 1.00 0.00 C ATOM 374 C LYS A 54 -6.002 8.465 -2.008 1.00 0.00 C ATOM 375 O LYS A 54 -6.598 7.385 -1.976 1.00 0.00 O ATOM 376 CB LYS A 54 -5.258 8.674 0.462 1.00 0.00 C ATOM 377 CG LYS A 54 -4.012 8.778 1.368 1.00 0.00 C ATOM 378 CD LYS A 54 -4.318 9.303 2.780 1.00 0.00 C ATOM 379 CE LYS A 54 -2.996 9.568 3.505 1.00 0.00 C ATOM 380 NZ LYS A 54 -3.188 10.041 4.883 1.00 0.00 N ATOM 0 H LYS A 54 -4.691 10.706 -0.465 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.176 7.947 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.953 9.480 0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.779 7.737 0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.548 7.795 1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.283 9.436 0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.907 10.218 2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.912 8.575 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.404 8.653 3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.423 10.309 2.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.357 10.591 5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.036 10.642 4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.307 9.225 5.517 1.00 0.00 H new ATOM 381 N ALA A 55 -6.296 9.397 -2.923 1.00 0.00 N ATOM 382 CA ALA A 55 -7.313 9.170 -3.942 1.00 0.00 C ATOM 383 C ALA A 55 -6.748 8.138 -4.919 1.00 0.00 C ATOM 384 O ALA A 55 -7.405 7.157 -5.270 1.00 0.00 O ATOM 385 CB ALA A 55 -7.653 10.485 -4.649 1.00 0.00 C ATOM 0 H ALA A 55 -5.843 10.310 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.238 8.798 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.414 10.304 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.031 11.203 -3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.757 10.886 -5.122 1.00 0.00 H new ATOM 386 N MET A 56 -5.493 8.359 -5.325 1.00 0.00 N ATOM 387 CA MET A 56 -4.764 7.474 -6.218 1.00 0.00 C ATOM 388 C MET A 56 -4.673 6.094 -5.561 1.00 0.00 C ATOM 389 O MET A 56 -4.882 5.071 -6.210 1.00 0.00 O ATOM 390 CB MET A 56 -3.379 8.071 -6.507 1.00 0.00 C ATOM 391 CG MET A 56 -3.500 9.416 -7.239 1.00 0.00 C ATOM 392 SD MET A 56 -1.926 10.173 -7.716 1.00 0.00 S ATOM 393 CE MET A 56 -2.528 11.717 -8.434 1.00 0.00 C ATOM 0 H MET A 56 -4.953 9.174 -5.033 1.00 0.00 H new ATOM 0 HA MET A 56 -5.278 7.366 -7.173 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.837 8.210 -5.572 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.798 7.375 -7.112 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.103 9.271 -8.136 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.042 10.113 -6.600 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.683 12.310 -8.782 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.186 11.495 -9.274 1.00 0.00 H new ATOM 0 HE3 MET A 56 -3.079 12.278 -7.680 1.00 0.00 H new ATOM 394 N MET A 57 -4.391 6.079 -4.254 1.00 0.00 N ATOM 395 CA MET A 57 -4.320 4.854 -3.476 1.00 0.00 C ATOM 396 C MET A 57 -5.632 4.097 -3.609 1.00 0.00 C ATOM 397 O MET A 57 -5.641 2.979 -4.112 1.00 0.00 O ATOM 398 CB MET A 57 -4.031 5.187 -2.007 1.00 0.00 C ATOM 399 CG MET A 57 -2.527 5.322 -1.755 1.00 0.00 C ATOM 400 SD MET A 57 -1.586 3.843 -2.200 1.00 0.00 S ATOM 401 CE MET A 57 -2.425 2.555 -1.240 1.00 0.00 C ATOM 0 H MET A 57 -4.206 6.923 -3.711 1.00 0.00 H new ATOM 0 HA MET A 57 -3.512 4.226 -3.850 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.532 6.116 -1.737 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.441 4.406 -1.367 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.146 6.170 -2.324 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.362 5.545 -0.701 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.231 1.581 -1.690 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.051 2.563 -0.216 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.498 2.745 -1.236 1.00 0.00 H new ATOM 402 N THR A 58 -6.734 4.709 -3.170 1.00 0.00 N ATOM 403 CA THR A 58 -8.071 4.140 -3.264 1.00 0.00 C ATOM 404 C THR A 58 -8.295 3.564 -4.668 1.00 0.00 C ATOM 405 O THR A 58 -8.678 2.401 -4.814 1.00 0.00 O ATOM 406 CB THR A 58 -9.088 5.241 -2.921 1.00 0.00 C ATOM 407 OG1 THR A 58 -8.817 5.729 -1.621 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.528 4.724 -2.970 1.00 0.00 C ATOM 0 H THR A 58 -6.717 5.630 -2.732 1.00 0.00 H new ATOM 0 HA THR A 58 -8.195 3.318 -2.559 1.00 0.00 H new ATOM 0 HB THR A 58 -8.990 6.033 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.125 6.422 -1.669 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.214 5.534 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.749 4.356 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.648 3.913 -2.251 1.00 0.00 H new ATOM 409 N ASN A 59 -8.008 4.370 -5.697 1.00 0.00 N ATOM 410 CA ASN A 59 -8.158 3.964 -7.088 1.00 0.00 C ATOM 411 C ASN A 59 -7.349 2.700 -7.404 1.00 0.00 C ATOM 412 O ASN A 59 -7.783 1.903 -8.231 1.00 0.00 O ATOM 413 CB ASN A 59 -7.759 5.117 -8.014 1.00 0.00 C ATOM 414 CG ASN A 59 -7.857 4.700 -9.477 1.00 0.00 C ATOM 415 OD1 ASN A 59 -8.941 4.672 -10.048 1.00 0.00 O ATOM 416 ND2 ASN A 59 -6.728 4.375 -10.100 1.00 0.00 N ATOM 0 H ASN A 59 -7.665 5.324 -5.582 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.207 3.720 -7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.406 5.975 -7.832 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.740 5.433 -7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.749 4.093 -11.080 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.841 4.408 -9.598 1.00 0.00 H new ATOM 417 N ALA A 60 -6.179 2.504 -6.789 1.00 0.00 N ATOM 418 CA ALA A 60 -5.395 1.300 -7.027 1.00 0.00 C ATOM 419 C ALA A 60 -5.989 0.152 -6.206 1.00 0.00 C ATOM 420 O ALA A 60 -6.496 -0.831 -6.740 1.00 0.00 O ATOM 421 CB ALA A 60 -3.926 1.537 -6.643 1.00 0.00 C ATOM 0 H ALA A 60 -5.761 3.160 -6.129 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.428 1.042 -8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.351 0.629 -6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.520 2.351 -7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.864 1.799 -5.587 1.00 0.00 H new ATOM 422 N VAL A 61 -5.940 0.315 -4.886 1.00 0.00 N ATOM 423 CA VAL A 61 -6.377 -0.611 -3.854 1.00 0.00 C ATOM 424 C VAL A 61 -7.716 -1.270 -4.173 1.00 0.00 C ATOM 425 O VAL A 61 -7.845 -2.478 -3.974 1.00 0.00 O ATOM 426 CB VAL A 61 -6.399 0.167 -2.530 1.00 0.00 C ATOM 427 CG1 VAL A 61 -7.018 -0.578 -1.352 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.963 0.497 -2.110 1.00 0.00 C ATOM 0 H VAL A 61 -5.561 1.171 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.682 -1.448 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.013 1.044 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.987 0.054 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.054 -0.828 -1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.457 -1.494 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.977 1.049 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.401 -0.427 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.489 1.104 -2.881 1.00 0.00 H new ATOM 429 N LYS A 62 -8.702 -0.520 -4.674 1.00 0.00 N ATOM 430 CA LYS A 62 -10.012 -1.096 -4.967 1.00 0.00 C ATOM 431 C LYS A 62 -9.946 -2.339 -5.873 1.00 0.00 C ATOM 432 O LYS A 62 -10.860 -3.159 -5.821 1.00 0.00 O ATOM 433 CB LYS A 62 -10.946 -0.025 -5.550 1.00 0.00 C ATOM 434 CG LYS A 62 -10.560 0.433 -6.962 1.00 0.00 C ATOM 435 CD LYS A 62 -11.509 1.547 -7.423 1.00 0.00 C ATOM 436 CE LYS A 62 -11.220 2.008 -8.858 1.00 0.00 C ATOM 437 NZ LYS A 62 -11.453 0.937 -9.843 1.00 0.00 N ATOM 0 H LYS A 62 -8.618 0.475 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.421 -1.447 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.963 -0.416 -5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.950 0.840 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.531 0.793 -6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.608 -0.408 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.538 1.193 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.421 2.397 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.852 2.863 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.186 2.346 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.411 1.334 -10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.722 0.205 -9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.390 0.516 -9.683 1.00 0.00 H new ATOM 438 N LYS A 63 -8.905 -2.505 -6.703 1.00 0.00 N ATOM 439 CA LYS A 63 -8.827 -3.676 -7.576 1.00 0.00 C ATOM 440 C LYS A 63 -8.383 -4.942 -6.830 1.00 0.00 C ATOM 441 O LYS A 63 -8.425 -6.019 -7.423 1.00 0.00 O ATOM 442 CB LYS A 63 -7.902 -3.396 -8.777 1.00 0.00 C ATOM 443 CG LYS A 63 -6.405 -3.586 -8.475 1.00 0.00 C ATOM 444 CD LYS A 63 -5.499 -3.172 -9.644 1.00 0.00 C ATOM 445 CE LYS A 63 -5.081 -4.363 -10.516 1.00 0.00 C ATOM 446 NZ LYS A 63 -6.237 -5.073 -11.089 1.00 0.00 N ATOM 0 H LYS A 63 -8.123 -1.856 -6.785 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.836 -3.866 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.182 -4.055 -9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.066 -2.374 -9.118 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.141 -3.002 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.219 -4.632 -8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.020 -2.440 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.607 -2.682 -9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.438 -4.011 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.491 -5.058 -9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.904 -5.793 -11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.774 -5.534 -10.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.851 -4.395 -11.584 1.00 0.00 H new ATOM 447 N TYR A 64 -7.919 -4.842 -5.577 1.00 0.00 N ATOM 448 CA TYR A 64 -7.449 -5.956 -4.794 1.00 0.00 C ATOM 449 C TYR A 64 -8.479 -6.257 -3.710 1.00 0.00 C ATOM 450 O TYR A 64 -9.101 -5.371 -3.128 1.00 0.00 O ATOM 451 CB TYR A 64 -6.099 -5.615 -4.162 1.00 0.00 C ATOM 452 CG TYR A 64 -5.003 -5.227 -5.137 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.133 -6.187 -5.687 1.00 0.00 C ATOM 454 CD2 TYR A 64 -4.824 -3.872 -5.454 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.034 -5.779 -6.466 1.00 0.00 C ATOM 456 CE2 TYR A 64 -3.743 -3.468 -6.248 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.820 -4.414 -6.721 1.00 0.00 C ATOM 458 OH TYR A 64 -1.739 -3.988 -7.434 1.00 0.00 O ATOM 0 H TYR A 64 -7.865 -3.952 -5.081 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.319 -6.832 -5.430 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.243 -4.795 -3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.760 -6.475 -3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -4.309 -7.238 -5.511 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.523 -3.137 -5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.355 -6.516 -6.868 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.619 -2.424 -6.497 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.948 -4.500 -7.166 1.00 0.00 H new ATOM 459 N SER A 65 -8.637 -7.546 -3.467 1.00 0.00 N ATOM 460 CA SER A 65 -9.523 -8.144 -2.482 1.00 0.00 C ATOM 461 C SER A 65 -8.900 -8.026 -1.094 1.00 0.00 C ATOM 462 O SER A 65 -7.730 -7.683 -0.966 1.00 0.00 O ATOM 463 CB SER A 65 -9.722 -9.626 -2.827 1.00 0.00 C ATOM 464 OG SER A 65 -8.509 -10.338 -2.639 1.00 0.00 O ATOM 0 H SER A 65 -8.115 -8.251 -3.987 1.00 0.00 H new ATOM 0 HA SER A 65 -10.483 -7.628 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.504 -10.052 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.055 -9.725 -3.860 1.00 0.00 H new ATOM 0 HG SER A 65 -8.647 -11.283 -2.860 1.00 0.00 H new ATOM 465 N ASP A 66 -9.653 -8.360 -0.047 1.00 0.00 N ATOM 466 CA ASP A 66 -9.149 -8.340 1.319 1.00 0.00 C ATOM 467 C ASP A 66 -7.923 -9.255 1.438 1.00 0.00 C ATOM 468 O ASP A 66 -6.961 -8.918 2.128 1.00 0.00 O ATOM 469 CB ASP A 66 -10.262 -8.776 2.284 1.00 0.00 C ATOM 470 CG ASP A 66 -10.654 -10.244 2.114 1.00 0.00 C ATOM 471 OD1 ASP A 66 -10.867 -10.642 0.946 1.00 0.00 O ATOM 472 OD2 ASP A 66 -10.712 -10.942 3.147 1.00 0.00 O ATOM 0 H ASP A 66 -10.627 -8.651 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.841 -7.328 1.582 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.933 -8.609 3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.140 -8.150 2.125 1.00 0.00 H new ATOM 473 N GLU A 67 -7.965 -10.410 0.769 1.00 0.00 N ATOM 474 CA GLU A 67 -6.892 -11.390 0.762 1.00 0.00 C ATOM 475 C GLU A 67 -5.672 -10.804 0.043 1.00 0.00 C ATOM 476 O GLU A 67 -4.559 -10.829 0.568 1.00 0.00 O ATOM 477 CB GLU A 67 -7.421 -12.672 0.096 1.00 0.00 C ATOM 478 CG GLU A 67 -6.450 -13.861 0.169 1.00 0.00 C ATOM 479 CD GLU A 67 -5.269 -13.753 -0.794 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.497 -13.325 -1.946 1.00 0.00 O ATOM 481 OE2 GLU A 67 -4.151 -14.118 -0.369 1.00 0.00 O ATOM 0 H GLU A 67 -8.768 -10.690 0.206 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.570 -11.642 1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.361 -12.954 0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.643 -12.461 -0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.070 -13.946 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.998 -14.779 -0.044 1.00 0.00 H new ATOM 482 N GLU A 68 -5.873 -10.278 -1.167 1.00 0.00 N ATOM 483 CA GLU A 68 -4.791 -9.688 -1.940 1.00 0.00 C ATOM 484 C GLU A 68 -4.146 -8.539 -1.159 1.00 0.00 C ATOM 485 O GLU A 68 -2.924 -8.443 -1.075 1.00 0.00 O ATOM 486 CB GLU A 68 -5.359 -9.203 -3.268 1.00 0.00 C ATOM 487 CG GLU A 68 -5.660 -10.361 -4.226 1.00 0.00 C ATOM 488 CD GLU A 68 -6.345 -9.842 -5.483 1.00 0.00 C ATOM 489 OE1 GLU A 68 -7.495 -9.371 -5.340 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.701 -9.897 -6.552 1.00 0.00 O ATOM 0 H GLU A 68 -6.782 -10.251 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.014 -10.429 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.273 -8.638 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.650 -8.521 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.735 -10.872 -4.492 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.298 -11.094 -3.732 1.00 0.00 H new ATOM 491 N LEU A 69 -4.967 -7.664 -0.579 1.00 0.00 N ATOM 492 CA LEU A 69 -4.494 -6.549 0.224 1.00 0.00 C ATOM 493 C LEU A 69 -3.672 -7.090 1.399 1.00 0.00 C ATOM 494 O LEU A 69 -2.611 -6.550 1.714 1.00 0.00 O ATOM 495 CB LEU A 69 -5.694 -5.725 0.702 1.00 0.00 C ATOM 496 CG LEU A 69 -6.372 -4.883 -0.388 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.552 -4.145 0.246 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.455 -3.851 -1.042 1.00 0.00 C ATOM 0 H LEU A 69 -5.983 -7.713 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.852 -5.895 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.433 -6.401 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.366 -5.062 1.502 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.678 -5.572 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.051 -3.539 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.257 -4.869 0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.190 -3.500 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.011 -3.299 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.088 -3.158 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.611 -4.358 -1.509 1.00 0.00 H new ATOM 499 N LYS A 70 -4.138 -8.162 2.048 1.00 0.00 N ATOM 500 CA LYS A 70 -3.395 -8.757 3.149 1.00 0.00 C ATOM 501 C LYS A 70 -2.039 -9.258 2.642 1.00 0.00 C ATOM 502 O LYS A 70 -1.030 -9.087 3.324 1.00 0.00 O ATOM 503 CB LYS A 70 -4.211 -9.888 3.792 1.00 0.00 C ATOM 504 CG LYS A 70 -3.602 -10.304 5.135 1.00 0.00 C ATOM 505 CD LYS A 70 -4.489 -11.354 5.814 1.00 0.00 C ATOM 506 CE LYS A 70 -3.856 -11.872 7.112 1.00 0.00 C ATOM 507 NZ LYS A 70 -3.670 -10.798 8.104 1.00 0.00 N ATOM 0 H LYS A 70 -5.019 -8.628 1.828 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.215 -8.005 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.240 -9.561 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.243 -10.746 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.601 -10.708 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.497 -9.432 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.465 -10.921 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.655 -12.187 5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.488 -12.652 7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.892 -12.329 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.352 -11.209 9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.956 -10.126 7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.571 -10.300 8.250 1.00 0.00 H new ATOM 508 N ALA A 71 -1.997 -9.856 1.446 1.00 0.00 N ATOM 509 CA ALA A 71 -0.758 -10.355 0.874 1.00 0.00 C ATOM 510 C ALA A 71 0.187 -9.185 0.621 1.00 0.00 C ATOM 511 O ALA A 71 1.369 -9.252 0.958 1.00 0.00 O ATOM 512 CB ALA A 71 -1.050 -11.118 -0.416 1.00 0.00 C ATOM 0 H ALA A 71 -2.817 -10.003 0.858 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.279 -11.044 1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.116 -11.489 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.710 -11.958 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.533 -10.452 -1.131 1.00 0.00 H new ATOM 513 N LEU A 72 -0.327 -8.107 0.023 1.00 0.00 N ATOM 514 CA LEU A 72 0.475 -6.928 -0.226 1.00 0.00 C ATOM 515 C LEU A 72 1.068 -6.420 1.078 1.00 0.00 C ATOM 516 O LEU A 72 2.267 -6.170 1.147 1.00 0.00 O ATOM 517 CB LEU A 72 -0.430 -5.840 -0.788 1.00 0.00 C ATOM 518 CG LEU A 72 -0.489 -5.965 -2.296 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.441 -4.907 -2.797 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.878 -5.634 -2.869 1.00 0.00 C ATOM 0 H LEU A 72 -1.294 -8.036 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 72 1.275 -7.175 -0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.431 -5.929 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.052 -4.857 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.798 -6.970 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.511 -4.965 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.427 -5.069 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.074 -3.922 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.848 -5.721 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.151 -4.615 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.618 -6.328 -2.470 1.00 0.00 H new ATOM 521 N ALA A 73 0.223 -6.231 2.098 1.00 0.00 N ATOM 522 CA ALA A 73 0.693 -5.732 3.378 1.00 0.00 C ATOM 523 C ALA A 73 1.718 -6.690 3.964 1.00 0.00 C ATOM 524 O ALA A 73 2.685 -6.231 4.555 1.00 0.00 O ATOM 525 CB ALA A 73 -0.462 -5.581 4.375 1.00 0.00 C ATOM 0 H ALA A 73 -0.779 -6.416 2.055 1.00 0.00 H new ATOM 0 HA ALA A 73 1.143 -4.754 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.077 -5.206 5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.196 -4.880 3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.935 -6.550 4.533 1.00 0.00 H new ATOM 526 N ASP A 74 1.508 -8.005 3.851 1.00 0.00 N ATOM 527 CA ASP A 74 2.476 -8.972 4.348 1.00 0.00 C ATOM 528 C ASP A 74 3.823 -8.685 3.682 1.00 0.00 C ATOM 529 O ASP A 74 4.834 -8.568 4.372 1.00 0.00 O ATOM 530 CB ASP A 74 2.010 -10.404 4.072 1.00 0.00 C ATOM 531 CG ASP A 74 3.041 -11.406 4.576 1.00 0.00 C ATOM 532 OD1 ASP A 74 2.985 -11.721 5.784 1.00 0.00 O ATOM 533 OD2 ASP A 74 3.877 -11.831 3.749 1.00 0.00 O ATOM 0 H ASP A 74 0.680 -8.417 3.421 1.00 0.00 H new ATOM 0 HA ASP A 74 2.576 -8.878 5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.052 -10.582 4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.853 -10.542 3.002 1.00 0.00 H new ATOM 534 N TYR A 75 3.826 -8.522 2.351 1.00 0.00 N ATOM 535 CA TYR A 75 5.047 -8.209 1.624 1.00 0.00 C ATOM 536 C TYR A 75 5.620 -6.884 2.148 1.00 0.00 C ATOM 537 O TYR A 75 6.747 -6.859 2.636 1.00 0.00 O ATOM 538 CB TYR A 75 4.803 -8.187 0.110 1.00 0.00 C ATOM 539 CG TYR A 75 6.069 -7.845 -0.651 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.052 -8.837 -0.826 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.392 -6.499 -0.910 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.332 -8.493 -1.292 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.686 -6.153 -1.336 1.00 0.00 C ATOM 544 CZ TYR A 75 8.655 -7.149 -1.531 1.00 0.00 C ATOM 545 OH TYR A 75 9.908 -6.818 -1.952 1.00 0.00 O ATOM 0 H TYR A 75 2.995 -8.603 1.765 1.00 0.00 H new ATOM 0 HA TYR A 75 5.786 -8.991 1.797 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.434 -9.160 -0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.028 -7.457 -0.124 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.821 -9.868 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.644 -5.731 -0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.068 -9.264 -1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.935 -5.117 -1.514 1.00 0.00 H new ATOM 0 HH TYR A 75 9.967 -5.847 -2.072 1.00 0.00 H new ATOM 546 N MET A 76 4.868 -5.779 2.062 1.00 0.00 N ATOM 547 CA MET A 76 5.325 -4.487 2.572 1.00 0.00 C ATOM 548 C MET A 76 5.809 -4.529 4.032 1.00 0.00 C ATOM 549 O MET A 76 6.700 -3.785 4.426 1.00 0.00 O ATOM 550 CB MET A 76 4.181 -3.488 2.467 1.00 0.00 C ATOM 551 CG MET A 76 4.014 -3.000 1.034 1.00 0.00 C ATOM 552 SD MET A 76 2.747 -1.734 0.848 1.00 0.00 S ATOM 553 CE MET A 76 1.282 -2.742 1.096 1.00 0.00 C ATOM 0 H MET A 76 3.939 -5.758 1.642 1.00 0.00 H new ATOM 0 HA MET A 76 6.182 -4.196 1.965 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.255 -3.952 2.807 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.372 -2.640 3.124 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.966 -2.604 0.680 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.765 -3.848 0.397 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.581 -2.572 0.279 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.564 -3.795 1.118 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.811 -2.473 2.041 1.00 0.00 H new ATOM 554 N SER A 77 5.225 -5.378 4.869 1.00 0.00 N ATOM 555 CA SER A 77 5.639 -5.473 6.264 1.00 0.00 C ATOM 556 C SER A 77 7.020 -6.120 6.397 1.00 0.00 C ATOM 557 O SER A 77 7.574 -6.119 7.494 1.00 0.00 O ATOM 558 CB SER A 77 4.604 -6.251 7.067 1.00 0.00 C ATOM 559 OG SER A 77 4.830 -6.069 8.457 1.00 0.00 O ATOM 0 H SER A 77 4.467 -6.008 4.608 1.00 0.00 H new ATOM 0 HA SER A 77 5.710 -4.461 6.663 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.601 -5.914 6.806 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.659 -7.311 6.817 1.00 0.00 H new ATOM 0 HG SER A 77 5.779 -5.880 8.612 1.00 0.00 H new ATOM 560 N LYS A 78 7.532 -6.719 5.317 1.00 0.00 N ATOM 561 CA LYS A 78 8.841 -7.344 5.227 1.00 0.00 C ATOM 562 C LYS A 78 9.686 -6.541 4.221 1.00 0.00 C ATOM 563 O LYS A 78 10.595 -7.090 3.601 1.00 0.00 O ATOM 564 CB LYS A 78 8.656 -8.802 4.776 1.00 0.00 C ATOM 565 CG LYS A 78 7.781 -9.604 5.752 1.00 0.00 C ATOM 566 CD LYS A 78 7.364 -10.938 5.125 1.00 0.00 C ATOM 567 CE LYS A 78 6.489 -11.733 6.100 1.00 0.00 C ATOM 568 NZ LYS A 78 5.941 -12.943 5.465 1.00 0.00 N ATOM 0 H LYS A 78 7.012 -6.780 4.441 1.00 0.00 H new ATOM 0 HA LYS A 78 9.354 -7.347 6.189 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.202 -8.819 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.632 -9.280 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.329 -9.785 6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.895 -9.026 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.817 -10.758 4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.249 -11.518 4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.077 -12.013 6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.672 -11.104 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.512 -13.552 6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.218 -12.672 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.706 -13.461 4.987 1.00 0.00 H new ATOM 569 N LEU A 79 9.351 -5.258 4.040 1.00 0.00 N ATOM 570 CA LEU A 79 10.012 -4.337 3.129 1.00 0.00 C ATOM 571 C LEU A 79 11.298 -3.819 3.761 1.00 0.00 C ATOM 572 O LEU A 79 11.281 -3.598 4.994 1.00 0.00 O ATOM 573 CB LEU A 79 9.019 -3.203 2.836 1.00 0.00 C ATOM 574 CG LEU A 79 9.229 -2.289 1.625 1.00 0.00 C ATOM 575 CD1 LEU A 79 9.410 -3.141 0.390 1.00 0.00 C ATOM 576 CD2 LEU A 79 7.941 -1.514 1.325 1.00 0.00 C ATOM 577 OXT LEU A 79 12.271 -3.623 2.999 1.00 0.00 O ATOM 0 H LEU A 79 8.581 -4.823 4.548 1.00 0.00 H new ATOM 0 HA LEU A 79 10.294 -4.825 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.033 -3.656 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.986 -2.566 3.720 1.00 0.00 H new ATOM 0 HG LEU A 79 10.077 -1.641 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.560 -2.498 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.279 -3.787 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.522 -3.754 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.099 -0.866 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.136 -2.216 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.671 -0.908 2.190 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.758 3.989 -2.204 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.554 5.271 0.919 1.00 5.52 C HETATM 581 CHB HEM A 80 0.341 0.843 -0.926 1.00 7.91 C HETATM 582 CHC HEM A 80 0.535 2.744 -5.371 1.00 6.02 C HETATM 583 CHD HEM A 80 1.199 7.151 -3.464 1.00 10.53 C HETATM 584 NA HEM A 80 0.613 3.210 -0.384 1.00 6.22 N HETATM 585 C1A HEM A 80 0.527 3.903 0.799 1.00 6.23 C HETATM 586 C2A HEM A 80 0.486 3.018 1.918 1.00 8.27 C HETATM 587 C3A HEM A 80 0.548 1.766 1.417 1.00 7.07 C HETATM 588 C4A HEM A 80 0.519 1.884 -0.024 1.00 9.92 C HETATM 589 CMA HEM A 80 0.677 0.501 2.186 1.00 7.00 C HETATM 590 CAA HEM A 80 0.471 3.492 3.345 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.803 4.258 3.710 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.597 5.309 4.788 1.00 22.27 C HETATM 593 O1A HEM A 80 -1.598 5.910 5.160 1.00 18.65 O HETATM 594 O2A HEM A 80 0.530 5.520 5.229 1.00 17.21 O HETATM 595 NB HEM A 80 0.406 2.191 -2.987 1.00 4.54 N HETATM 596 C1B HEM A 80 0.190 1.018 -2.297 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.281 0.007 -3.199 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.019 0.450 -4.453 1.00 -0.05 C HETATM 599 C4B HEM A 80 0.335 1.850 -4.324 1.00 4.49 C HETATM 600 CMB HEM A 80 -0.890 -1.291 -2.768 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.082 -0.342 -5.736 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.434 -0.969 -6.068 1.00 6.48 C HETATM 603 NC HEM A 80 0.896 4.773 -4.031 1.00 3.58 N HETATM 604 C1C HEM A 80 0.764 4.103 -5.230 1.00 4.45 C HETATM 605 C2C HEM A 80 0.977 4.995 -6.338 1.00 5.77 C HETATM 606 C3C HEM A 80 1.372 6.181 -5.807 1.00 8.44 C HETATM 607 C4C HEM A 80 1.159 6.087 -4.369 1.00 11.13 C HETATM 608 CMC HEM A 80 0.901 4.579 -7.787 1.00 8.62 C HETATM 609 CAC HEM A 80 1.964 7.357 -6.545 1.00 3.39 C HETATM 610 CBC HEM A 80 0.926 8.180 -7.311 1.00 10.94 C HETATM 611 ND HEM A 80 0.797 5.846 -1.439 1.00 4.28 N HETATM 612 C1D HEM A 80 0.972 7.053 -2.084 1.00 5.02 C HETATM 613 C2D HEM A 80 0.974 8.140 -1.090 1.00 3.97 C HETATM 614 C3D HEM A 80 0.989 7.534 0.139 1.00 5.11 C HETATM 615 C4D HEM A 80 0.746 6.157 -0.106 1.00 9.05 C HETATM 616 CMD HEM A 80 1.022 9.614 -1.414 1.00 5.28 C HETATM 617 CAD HEM A 80 1.233 8.042 1.557 1.00 9.04 C HETATM 618 CBD HEM A 80 0.090 8.712 2.310 1.00 6.36 C HETATM 619 CGD HEM A 80 0.653 9.688 3.339 1.00 6.46 C HETATM 620 O1D HEM A 80 1.788 9.496 3.781 1.00 8.25 O HETATM 621 O2D HEM A 80 -0.022 10.670 3.634 1.00 15.15 O HETATM 0 HMA1 HEM A 80 0.231 -0.316 1.619 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 0.163 0.602 3.142 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 1.731 0.288 2.362 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -0.466 -1.591 -1.810 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -0.679 -2.057 -3.514 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -1.969 -1.171 -2.666 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.571 5.424 -8.391 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 0.192 3.758 -7.893 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.885 4.254 -8.124 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.565 9.764 -2.347 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.529 10.147 -0.609 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.007 9.997 -1.520 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.554 -1.555 -6.979 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.279 -0.830 -5.394 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 1.237 9.055 -7.882 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.125 7.892 -7.286 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -1.559 3.549 4.047 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.195 4.741 2.815 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.335 4.133 3.518 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.574 2.633 4.008 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -0.522 7.959 2.806 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -0.559 9.240 1.611 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 2.059 8.752 1.514 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 1.570 7.196 2.156 1.00 9.04 H new HETATM 0 HHA HEM A 80 0.411 5.683 1.907 1.00 5.52 H new HETATM 0 HHB HEM A 80 0.318 -0.165 -0.538 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.510 2.346 -6.375 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.423 8.130 -3.861 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.785 -0.459 -6.386 1.00 6.35 H new HETATM 0 HAC HEM A 80 3.027 7.597 -6.533 1.00 3.39 H new