USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=30 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 171:sc= 0.702 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 148:sc= 0.029 (180deg=0) USER MOD Set 1.3: A 64 TYR OH : rot -112:sc= 1.79 USER MOD Set 2.1: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= 0.902 K(o=0.3,f=-0.6) USER MOD Set 2.3: A 80 HEM CMC :methyl 150:sc= -0.604 (180deg=-0.604) USER MOD Set 3.1: A 41 MET CE :methyl -169:sc= -1.25 (180deg=-1.72) USER MOD Set 3.2: A 76 MET CE :methyl -141:sc= -1.04 (180deg=-2.66!) USER MOD Set 3.3: A 80 HEM CMA :methyl -30:sc= -3.7! (180deg=-2.66) USER MOD Single : A 1 ALA N :NH3+ -132:sc= 1.33 (180deg=-0.228) USER MOD Single : A 7 TYR OH : rot 59:sc= -0.17 USER MOD Single : A 8 LYS NZ :NH3+ 154:sc= 1.07 (180deg=0.678) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0437) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 73:sc= 1 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 0.128 (180deg=-0.0922) USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0.827 (180deg=0.806) USER MOD Single : A 32 GLN : amide:sc= 0.164 K(o=0.16,f=-4.3!) USER MOD Single : A 38 TYR OH : rot 7:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0.687 (180deg=0.442) USER MOD Single : A 40 LYS NZ :NH3+ -149:sc= 1.24 (180deg=0.815) USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0.773 (180deg=0.746) USER MOD Single : A 44 TYR OH : rot 159:sc= 1 USER MOD Single : A 48 SER OG : rot -46:sc= 0.599 USER MOD Single : A 49 TYR OH : rot 178:sc= 1.18 USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.018) USER MOD Single : A 57 MET CE :methyl 166:sc= -3.41 (180deg=-5.22!) USER MOD Single : A 58 THR OG1 : rot 81:sc= 1.11 USER MOD Single : A 62 LYS NZ :NH3+ -173:sc=-0.00335 (180deg=-0.0712) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0992 USER MOD Single : A 70 LYS NZ :NH3+ 144:sc= -0.225 (180deg=-0.637) USER MOD Single : A 75 TYR OH : rot -172:sc= 1.02 USER MOD Single : A 77 SER OG : rot -39:sc= 0.553 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HEM CMB :methyl 150:sc= -0.822 (180deg=-0.822) USER MOD Single : A 80 HEM CMD :methyl -30:sc= -0.404 (180deg=-4.12!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.692 -13.508 -4.156 1.00 0.00 N ATOM 2 CA ALA A 1 -1.442 -13.883 -4.838 1.00 0.00 C ATOM 3 C ALA A 1 -0.279 -13.349 -4.006 1.00 0.00 C ATOM 4 O ALA A 1 -0.551 -12.782 -2.949 1.00 0.00 O ATOM 5 CB ALA A 1 -1.420 -13.342 -6.272 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.315 -14.338 -4.092 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.475 -13.163 -3.199 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.169 -12.757 -4.694 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.360 -14.967 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.487 -13.632 -6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.261 -13.754 -6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.496 -12.255 -6.252 1.00 0.00 H new ATOM 6 N ASP A 2 0.968 -13.545 -4.439 1.00 0.00 N ATOM 7 CA ASP A 2 2.139 -13.075 -3.709 1.00 0.00 C ATOM 8 C ASP A 2 2.141 -11.548 -3.656 1.00 0.00 C ATOM 9 O ASP A 2 2.078 -10.886 -4.690 1.00 0.00 O ATOM 10 CB ASP A 2 3.411 -13.588 -4.403 1.00 0.00 C ATOM 11 CG ASP A 2 4.715 -13.113 -3.757 1.00 0.00 C ATOM 12 OD1 ASP A 2 4.651 -12.428 -2.711 1.00 0.00 O ATOM 13 OD2 ASP A 2 5.768 -13.443 -4.339 1.00 0.00 O ATOM 0 H ASP A 2 1.191 -14.034 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 2 2.111 -13.457 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.396 -14.678 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.397 -13.267 -5.445 1.00 0.00 H new ATOM 14 N GLY A 3 2.237 -10.975 -2.458 1.00 0.00 N ATOM 15 CA GLY A 3 2.291 -9.540 -2.300 1.00 0.00 C ATOM 16 C GLY A 3 3.469 -8.942 -3.041 1.00 0.00 C ATOM 17 O GLY A 3 3.347 -7.850 -3.578 1.00 0.00 O ATOM 0 H GLY A 3 2.279 -11.495 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.366 -9.098 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.363 -9.292 -1.241 1.00 0.00 H new ATOM 18 N ALA A 4 4.601 -9.645 -3.116 1.00 0.00 N ATOM 19 CA ALA A 4 5.733 -9.125 -3.866 1.00 0.00 C ATOM 20 C ALA A 4 5.341 -8.897 -5.322 1.00 0.00 C ATOM 21 O ALA A 4 5.912 -8.032 -5.980 1.00 0.00 O ATOM 22 CB ALA A 4 6.916 -10.093 -3.780 1.00 0.00 C ATOM 0 H ALA A 4 4.752 -10.553 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 4 6.031 -8.171 -3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.757 -9.691 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.208 -10.219 -2.737 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.627 -11.058 -4.195 1.00 0.00 H new ATOM 23 N ALA A 5 4.365 -9.657 -5.826 1.00 0.00 N ATOM 24 CA ALA A 5 3.892 -9.507 -7.181 1.00 0.00 C ATOM 25 C ALA A 5 2.754 -8.497 -7.179 1.00 0.00 C ATOM 26 O ALA A 5 2.620 -7.754 -8.149 1.00 0.00 O ATOM 27 CB ALA A 5 3.434 -10.861 -7.730 1.00 0.00 C ATOM 0 H ALA A 5 3.889 -10.388 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 5 4.692 -9.146 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.079 -10.737 -8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.270 -11.560 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.627 -11.251 -7.110 1.00 0.00 H new ATOM 28 N LEU A 6 1.953 -8.413 -6.103 1.00 0.00 N ATOM 29 CA LEU A 6 0.849 -7.479 -6.139 1.00 0.00 C ATOM 30 C LEU A 6 1.357 -6.043 -6.000 1.00 0.00 C ATOM 31 O LEU A 6 0.752 -5.134 -6.566 1.00 0.00 O ATOM 32 CB LEU A 6 -0.138 -7.861 -5.041 1.00 0.00 C ATOM 33 CG LEU A 6 -0.892 -9.171 -5.315 1.00 0.00 C ATOM 34 CD1 LEU A 6 -1.448 -9.705 -3.991 1.00 0.00 C ATOM 35 CD2 LEU A 6 -2.042 -8.951 -6.305 1.00 0.00 C ATOM 0 H LEU A 6 2.051 -8.956 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 6 0.334 -7.528 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.400 -7.953 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.861 -7.055 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.201 -9.890 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.986 -10.636 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.626 -9.889 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.128 -8.971 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.557 -9.895 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.743 -8.226 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.644 -8.575 -7.248 1.00 0.00 H new ATOM 36 N TYR A 7 2.455 -5.818 -5.262 1.00 0.00 N ATOM 37 CA TYR A 7 2.962 -4.469 -5.062 1.00 0.00 C ATOM 38 C TYR A 7 3.717 -3.885 -6.269 1.00 0.00 C ATOM 39 O TYR A 7 4.037 -2.695 -6.265 1.00 0.00 O ATOM 40 CB TYR A 7 3.811 -4.449 -3.777 1.00 0.00 C ATOM 41 CG TYR A 7 3.718 -3.154 -2.991 1.00 0.00 C ATOM 42 CD1 TYR A 7 2.462 -2.580 -2.725 1.00 0.00 C ATOM 43 CD2 TYR A 7 4.866 -2.555 -2.446 1.00 0.00 C ATOM 44 CE1 TYR A 7 2.377 -1.305 -2.159 1.00 0.00 C ATOM 45 CE2 TYR A 7 4.777 -1.277 -1.866 1.00 0.00 C ATOM 46 CZ TYR A 7 3.545 -0.603 -1.837 1.00 0.00 C ATOM 47 OH TYR A 7 3.465 0.661 -1.339 1.00 0.00 O ATOM 0 H TYR A 7 2.997 -6.549 -4.802 1.00 0.00 H new ATOM 0 HA TYR A 7 2.103 -3.807 -4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.499 -5.273 -3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 7 4.854 -4.627 -4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.560 -3.126 -2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.813 -3.074 -2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.411 -0.861 -1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.656 -0.814 -1.443 1.00 0.00 H new ATOM 0 HH TYR A 7 2.943 0.653 -0.510 1.00 0.00 H new ATOM 48 N LYS A 8 3.990 -4.668 -7.319 1.00 0.00 N ATOM 49 CA LYS A 8 4.720 -4.177 -8.490 1.00 0.00 C ATOM 50 C LYS A 8 4.110 -2.893 -9.077 1.00 0.00 C ATOM 51 O LYS A 8 4.836 -1.966 -9.430 1.00 0.00 O ATOM 52 CB LYS A 8 4.780 -5.287 -9.548 1.00 0.00 C ATOM 53 CG LYS A 8 5.696 -6.450 -9.136 1.00 0.00 C ATOM 54 CD LYS A 8 7.175 -6.033 -9.126 1.00 0.00 C ATOM 55 CE LYS A 8 8.121 -7.237 -9.037 1.00 0.00 C ATOM 56 NZ LYS A 8 8.111 -7.845 -7.695 1.00 0.00 N ATOM 0 H LYS A 8 3.714 -5.648 -7.380 1.00 0.00 H new ATOM 0 HA LYS A 8 5.728 -3.914 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.774 -5.668 -9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.134 -4.867 -10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.411 -6.804 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.558 -7.284 -9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.396 -5.467 -10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.357 -5.368 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.829 -7.983 -9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.134 -6.922 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.377 -8.848 -7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.791 -7.349 -7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.158 -7.768 -7.286 1.00 0.00 H new ATOM 57 N SER A 9 2.782 -2.812 -9.155 1.00 0.00 N ATOM 58 CA SER A 9 2.046 -1.665 -9.674 1.00 0.00 C ATOM 59 C SER A 9 2.124 -0.434 -8.758 1.00 0.00 C ATOM 60 O SER A 9 1.667 0.642 -9.134 1.00 0.00 O ATOM 61 CB SER A 9 0.583 -2.112 -9.805 1.00 0.00 C ATOM 62 OG SER A 9 0.294 -3.042 -8.769 1.00 0.00 O ATOM 0 H SER A 9 2.171 -3.569 -8.848 1.00 0.00 H new ATOM 0 HA SER A 9 2.482 -1.361 -10.626 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.082 -1.251 -9.736 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.414 -2.569 -10.780 1.00 0.00 H new ATOM 0 HG SER A 9 -0.669 -3.225 -8.753 1.00 0.00 H new ATOM 63 N CYS A 10 2.682 -0.594 -7.560 1.00 0.00 N ATOM 64 CA CYS A 10 2.784 0.401 -6.506 1.00 0.00 C ATOM 65 C CYS A 10 4.220 0.900 -6.397 1.00 0.00 C ATOM 66 O CYS A 10 4.466 2.093 -6.197 1.00 0.00 O ATOM 67 CB CYS A 10 2.321 -0.279 -5.213 1.00 0.00 C ATOM 68 SG CYS A 10 0.924 -1.443 -5.402 1.00 0.00 S ATOM 0 H CYS A 10 3.101 -1.483 -7.286 1.00 0.00 H new ATOM 0 HA CYS A 10 2.164 1.273 -6.713 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.165 -0.817 -4.782 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.036 0.492 -4.498 1.00 0.00 H new ATOM 69 N ILE A 11 5.165 -0.034 -6.556 1.00 0.00 N ATOM 70 CA ILE A 11 6.603 0.202 -6.542 1.00 0.00 C ATOM 71 C ILE A 11 6.950 1.449 -7.368 1.00 0.00 C ATOM 72 O ILE A 11 7.828 2.214 -6.979 1.00 0.00 O ATOM 73 CB ILE A 11 7.312 -1.083 -7.040 1.00 0.00 C ATOM 74 CG1 ILE A 11 8.015 -1.791 -5.874 1.00 0.00 C ATOM 75 CG2 ILE A 11 8.363 -0.829 -8.129 1.00 0.00 C ATOM 76 CD1 ILE A 11 7.039 -2.337 -4.834 1.00 0.00 C ATOM 0 H ILE A 11 4.932 -1.016 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 11 6.956 0.410 -5.532 1.00 0.00 H new ATOM 0 HB ILE A 11 6.521 -1.698 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.618 -2.611 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.699 -1.093 -5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.815 -1.775 -8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.887 -0.367 -8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.135 -0.164 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.595 -2.826 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.453 -1.517 -4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.371 -3.058 -5.305 1.00 0.00 H new ATOM 77 N GLY A 12 6.252 1.665 -8.489 1.00 0.00 N ATOM 78 CA GLY A 12 6.452 2.819 -9.354 1.00 0.00 C ATOM 79 C GLY A 12 6.471 4.141 -8.578 1.00 0.00 C ATOM 80 O GLY A 12 7.309 4.996 -8.850 1.00 0.00 O ATOM 0 H GLY A 12 5.524 1.031 -8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.392 2.705 -9.894 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.658 2.851 -10.100 1.00 0.00 H new ATOM 81 N CYS A 13 5.550 4.315 -7.621 1.00 0.00 N ATOM 82 CA CYS A 13 5.475 5.527 -6.805 1.00 0.00 C ATOM 83 C CYS A 13 6.251 5.348 -5.507 1.00 0.00 C ATOM 84 O CYS A 13 6.949 6.258 -5.068 1.00 0.00 O ATOM 85 CB CYS A 13 4.025 5.861 -6.425 1.00 0.00 C ATOM 86 SG CYS A 13 3.053 6.829 -7.606 1.00 0.00 S ATOM 0 H CYS A 13 4.839 3.620 -7.394 1.00 0.00 H new ATOM 0 HA CYS A 13 5.899 6.333 -7.404 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.500 4.923 -6.246 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.041 6.403 -5.479 1.00 0.00 H new ATOM 87 N HIS A 14 6.100 4.184 -4.872 1.00 0.00 N ATOM 88 CA HIS A 14 6.704 3.916 -3.575 1.00 0.00 C ATOM 89 C HIS A 14 8.232 3.739 -3.606 1.00 0.00 C ATOM 90 O HIS A 14 8.869 3.851 -2.561 1.00 0.00 O ATOM 91 CB HIS A 14 5.922 2.767 -2.934 1.00 0.00 C ATOM 92 CG HIS A 14 4.548 3.205 -2.514 1.00 0.00 C ATOM 93 ND1 HIS A 14 4.360 3.832 -1.296 1.00 0.00 N ATOM 94 CD2 HIS A 14 3.300 3.137 -3.089 1.00 0.00 C ATOM 95 CE1 HIS A 14 3.060 4.124 -1.197 1.00 0.00 C ATOM 96 NE2 HIS A 14 2.342 3.663 -2.225 1.00 0.00 N ATOM 0 H HIS A 14 5.556 3.406 -5.245 1.00 0.00 H new ATOM 0 HA HIS A 14 6.617 4.797 -2.939 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.842 1.941 -3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.467 2.393 -2.067 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.080 4.034 -0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.093 2.734 -4.069 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.634 4.675 -0.372 1.00 0.00 H new ATOM 97 N GLY A 15 8.844 3.469 -4.761 1.00 0.00 N ATOM 98 CA GLY A 15 10.295 3.394 -4.893 1.00 0.00 C ATOM 99 C GLY A 15 10.957 2.070 -4.500 1.00 0.00 C ATOM 100 O GLY A 15 10.973 1.689 -3.326 1.00 0.00 O ATOM 0 H GLY A 15 8.343 3.296 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.553 3.608 -5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.733 4.186 -4.285 1.00 0.00 H new ATOM 101 N ALA A 16 11.568 1.419 -5.503 1.00 0.00 N ATOM 102 CA ALA A 16 12.322 0.165 -5.445 1.00 0.00 C ATOM 103 C ALA A 16 11.453 -1.005 -4.986 1.00 0.00 C ATOM 104 O ALA A 16 11.142 -1.891 -5.777 1.00 0.00 O ATOM 105 CB ALA A 16 13.566 0.334 -4.561 1.00 0.00 C ATOM 0 H ALA A 16 11.543 1.791 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 16 12.652 -0.077 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.118 -0.605 -4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.204 1.114 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.261 0.613 -3.553 1.00 0.00 H new ATOM 106 N ASP A 17 11.081 -0.990 -3.708 1.00 0.00 N ATOM 107 CA ASP A 17 10.252 -1.947 -3.015 1.00 0.00 C ATOM 108 C ASP A 17 9.143 -1.240 -2.226 1.00 0.00 C ATOM 109 O ASP A 17 8.094 -1.823 -1.983 1.00 0.00 O ATOM 110 CB ASP A 17 11.114 -2.852 -2.134 1.00 0.00 C ATOM 111 CG ASP A 17 11.906 -3.822 -2.996 1.00 0.00 C ATOM 112 OD1 ASP A 17 11.252 -4.746 -3.526 1.00 0.00 O ATOM 113 OD2 ASP A 17 13.132 -3.615 -3.122 1.00 0.00 O ATOM 0 H ASP A 17 11.383 -0.240 -3.086 1.00 0.00 H new ATOM 0 HA ASP A 17 9.755 -2.584 -3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.795 -2.247 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.482 -3.404 -1.439 1.00 0.00 H new ATOM 114 N GLY A 18 9.374 0.015 -1.840 1.00 0.00 N ATOM 115 CA GLY A 18 8.460 0.897 -1.136 1.00 0.00 C ATOM 116 C GLY A 18 9.168 1.721 -0.064 1.00 0.00 C ATOM 117 O GLY A 18 8.599 2.026 0.986 1.00 0.00 O ATOM 0 H GLY A 18 10.269 0.468 -2.027 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.981 1.567 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.669 0.305 -0.674 1.00 0.00 H new ATOM 118 N SER A 19 10.416 2.092 -0.353 1.00 0.00 N ATOM 119 CA SER A 19 11.290 2.830 0.538 1.00 0.00 C ATOM 120 C SER A 19 11.088 4.346 0.497 1.00 0.00 C ATOM 121 O SER A 19 11.472 5.025 1.447 1.00 0.00 O ATOM 122 CB SER A 19 12.732 2.496 0.137 1.00 0.00 C ATOM 123 OG SER A 19 12.839 1.128 -0.217 1.00 0.00 O ATOM 0 H SER A 19 10.855 1.875 -1.248 1.00 0.00 H new ATOM 0 HA SER A 19 11.057 2.531 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.037 3.121 -0.702 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.407 2.719 0.963 1.00 0.00 H new ATOM 0 HG SER A 19 13.764 0.928 -0.473 1.00 0.00 H new ATOM 124 N LYS A 20 10.536 4.892 -0.591 1.00 0.00 N ATOM 125 CA LYS A 20 10.370 6.328 -0.746 1.00 0.00 C ATOM 126 C LYS A 20 8.996 6.822 -0.301 1.00 0.00 C ATOM 127 O LYS A 20 7.989 6.113 -0.337 1.00 0.00 O ATOM 128 CB LYS A 20 10.604 6.727 -2.211 1.00 0.00 C ATOM 129 CG LYS A 20 12.026 6.385 -2.679 1.00 0.00 C ATOM 130 CD LYS A 20 12.283 6.812 -4.135 1.00 0.00 C ATOM 131 CE LYS A 20 12.151 8.320 -4.389 1.00 0.00 C ATOM 132 NZ LYS A 20 13.018 9.112 -3.498 1.00 0.00 N ATOM 0 H LYS A 20 10.195 4.347 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 20 11.109 6.800 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.880 6.216 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.431 7.797 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.748 6.876 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 20 12.189 5.311 -2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 20 13.286 6.494 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.584 6.285 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.405 8.536 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.113 8.622 -4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.960 10.117 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.705 8.993 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.001 8.786 -3.590 1.00 0.00 H new ATOM 133 N ALA A 21 8.981 8.093 0.102 1.00 0.00 N ATOM 134 CA ALA A 21 7.790 8.807 0.512 1.00 0.00 C ATOM 135 C ALA A 21 7.030 9.150 -0.767 1.00 0.00 C ATOM 136 O ALA A 21 7.201 10.231 -1.324 1.00 0.00 O ATOM 137 CB ALA A 21 8.199 10.057 1.300 1.00 0.00 C ATOM 0 H ALA A 21 9.826 8.663 0.151 1.00 0.00 H new ATOM 0 HA ALA A 21 7.151 8.216 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.306 10.599 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.770 9.762 2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.812 10.700 0.669 1.00 0.00 H new ATOM 138 N ALA A 22 6.229 8.198 -1.248 1.00 0.00 N ATOM 139 CA ALA A 22 5.473 8.300 -2.487 1.00 0.00 C ATOM 140 C ALA A 22 4.853 9.674 -2.753 1.00 0.00 C ATOM 141 O ALA A 22 4.211 10.241 -1.873 1.00 0.00 O ATOM 142 CB ALA A 22 4.395 7.216 -2.527 1.00 0.00 C ATOM 0 H ALA A 22 6.087 7.309 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 22 6.198 8.154 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.832 7.297 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.864 6.234 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.719 7.344 -1.681 1.00 0.00 H new ATOM 143 N MET A 23 5.042 10.140 -3.997 1.00 0.00 N ATOM 144 CA MET A 23 4.602 11.376 -4.645 1.00 0.00 C ATOM 145 C MET A 23 4.200 12.512 -3.701 1.00 0.00 C ATOM 146 O MET A 23 4.951 13.473 -3.557 1.00 0.00 O ATOM 147 CB MET A 23 3.467 11.042 -5.625 1.00 0.00 C ATOM 148 CG MET A 23 3.949 10.146 -6.773 1.00 0.00 C ATOM 149 SD MET A 23 5.222 10.852 -7.850 1.00 0.00 S ATOM 150 CE MET A 23 5.429 9.488 -9.015 1.00 0.00 C ATOM 0 H MET A 23 5.581 9.579 -4.657 1.00 0.00 H new ATOM 0 HA MET A 23 5.472 11.773 -5.168 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.660 10.543 -5.089 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.056 11.965 -6.033 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.334 9.220 -6.347 1.00 0.00 H new ATOM 0 HG3 MET A 23 3.088 9.881 -7.387 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.183 9.753 -9.756 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.747 8.595 -8.477 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.482 9.291 -9.517 1.00 0.00 H new ATOM 151 N GLY A 24 3.000 12.446 -3.113 1.00 0.00 N ATOM 152 CA GLY A 24 2.511 13.469 -2.196 1.00 0.00 C ATOM 153 C GLY A 24 3.542 13.773 -1.107 1.00 0.00 C ATOM 154 O GLY A 24 3.747 14.935 -0.765 1.00 0.00 O ATOM 0 H GLY A 24 2.344 11.679 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.284 14.380 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.581 13.135 -1.737 1.00 0.00 H new ATOM 155 N SER A 25 4.184 12.706 -0.620 1.00 0.00 N ATOM 156 CA SER A 25 5.213 12.572 0.404 1.00 0.00 C ATOM 157 C SER A 25 4.706 11.536 1.406 1.00 0.00 C ATOM 158 O SER A 25 4.560 11.849 2.587 1.00 0.00 O ATOM 159 CB SER A 25 5.562 13.890 1.118 1.00 0.00 C ATOM 160 OG SER A 25 6.198 14.790 0.232 1.00 0.00 O ATOM 0 H SER A 25 3.955 11.785 -0.995 1.00 0.00 H new ATOM 0 HA SER A 25 6.142 12.262 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.654 14.345 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.215 13.687 1.967 1.00 0.00 H new ATOM 0 HG SER A 25 5.540 15.147 -0.400 1.00 0.00 H new ATOM 161 N ALA A 26 4.434 10.298 0.962 1.00 0.00 N ATOM 162 CA ALA A 26 3.921 9.301 1.875 1.00 0.00 C ATOM 163 C ALA A 26 4.819 9.018 3.067 1.00 0.00 C ATOM 164 O ALA A 26 6.035 9.174 3.013 1.00 0.00 O ATOM 165 CB ALA A 26 3.748 7.981 1.121 1.00 0.00 C ATOM 0 H ALA A 26 4.561 9.983 0.000 1.00 0.00 H new ATOM 0 HA ALA A 26 2.984 9.706 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.361 7.222 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.048 8.121 0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.712 7.658 0.727 1.00 0.00 H new ATOM 166 N LYS A 27 4.206 8.563 4.155 1.00 0.00 N ATOM 167 CA LYS A 27 4.957 8.106 5.303 1.00 0.00 C ATOM 168 C LYS A 27 5.634 6.854 4.726 1.00 0.00 C ATOM 169 O LYS A 27 4.895 6.013 4.208 1.00 0.00 O ATOM 170 CB LYS A 27 4.015 7.778 6.471 1.00 0.00 C ATOM 171 CG LYS A 27 3.342 9.010 7.102 1.00 0.00 C ATOM 172 CD LYS A 27 2.285 9.742 6.253 1.00 0.00 C ATOM 173 CE LYS A 27 1.118 8.835 5.833 1.00 0.00 C ATOM 174 NZ LYS A 27 0.049 9.599 5.163 1.00 0.00 N ATOM 0 H LYS A 27 3.193 8.504 4.259 1.00 0.00 H new ATOM 0 HA LYS A 27 5.659 8.829 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.241 7.095 6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.579 7.251 7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.871 8.698 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.122 9.726 7.363 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.895 10.588 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.761 10.148 5.361 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.484 8.057 5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.712 8.334 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.825 9.036 5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.118 10.487 5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.335 9.813 4.186 1.00 0.00 H new ATOM 175 N PRO A 28 6.975 6.729 4.731 1.00 0.00 N ATOM 176 CA PRO A 28 7.680 5.608 4.113 1.00 0.00 C ATOM 177 C PRO A 28 6.954 4.295 4.390 1.00 0.00 C ATOM 178 O PRO A 28 6.902 3.861 5.537 1.00 0.00 O ATOM 179 CB PRO A 28 9.113 5.637 4.656 1.00 0.00 C ATOM 180 CG PRO A 28 9.032 6.552 5.879 1.00 0.00 C ATOM 181 CD PRO A 28 7.898 7.514 5.532 1.00 0.00 C ATOM 0 HA PRO A 28 7.706 5.693 3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.456 4.639 4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.812 6.024 3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.817 5.989 6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.970 7.081 6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.415 7.896 6.431 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.267 8.377 4.978 1.00 0.00 H new ATOM 182 N VAL A 29 6.360 3.702 3.344 1.00 0.00 N ATOM 183 CA VAL A 29 5.589 2.472 3.449 1.00 0.00 C ATOM 184 C VAL A 29 6.491 1.432 4.130 1.00 0.00 C ATOM 185 O VAL A 29 6.062 0.724 5.042 1.00 0.00 O ATOM 186 CB VAL A 29 5.096 2.068 2.045 1.00 0.00 C ATOM 187 CG1 VAL A 29 4.907 0.566 1.883 1.00 0.00 C ATOM 188 CG2 VAL A 29 3.719 2.687 1.775 1.00 0.00 C ATOM 0 H VAL A 29 6.407 4.073 2.395 1.00 0.00 H new ATOM 0 HA VAL A 29 4.690 2.578 4.057 1.00 0.00 H new ATOM 0 HB VAL A 29 5.865 2.419 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.559 0.350 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.856 0.059 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.170 0.212 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.378 2.397 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.008 2.332 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.791 3.773 1.831 1.00 0.00 H new ATOM 189 N LYS A 30 7.744 1.333 3.671 1.00 0.00 N ATOM 190 CA LYS A 30 8.759 0.477 4.248 1.00 0.00 C ATOM 191 C LYS A 30 8.819 0.528 5.770 1.00 0.00 C ATOM 192 O LYS A 30 9.350 1.450 6.385 1.00 0.00 O ATOM 193 CB LYS A 30 10.116 0.855 3.661 1.00 0.00 C ATOM 194 CG LYS A 30 11.331 0.235 4.376 1.00 0.00 C ATOM 195 CD LYS A 30 12.615 0.423 3.558 1.00 0.00 C ATOM 196 CE LYS A 30 13.864 0.114 4.394 1.00 0.00 C ATOM 197 NZ LYS A 30 13.872 -1.277 4.882 1.00 0.00 N ATOM 0 H LYS A 30 8.078 1.864 2.867 1.00 0.00 H new ATOM 0 HA LYS A 30 8.492 -0.549 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.138 0.555 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.215 1.940 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.452 0.694 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.155 -0.828 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.590 -0.229 2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.667 1.448 3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.756 0.292 3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.910 0.796 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.715 -1.434 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.018 -1.451 5.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.889 -1.929 4.072 1.00 0.00 H new ATOM 198 N GLY A 31 8.287 -0.539 6.342 1.00 0.00 N ATOM 199 CA GLY A 31 8.287 -0.814 7.758 1.00 0.00 C ATOM 200 C GLY A 31 7.164 -0.108 8.484 1.00 0.00 C ATOM 201 O GLY A 31 7.293 0.134 9.681 1.00 0.00 O ATOM 0 H GLY A 31 7.823 -1.268 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.199 -1.889 7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.242 -0.506 8.185 1.00 0.00 H new ATOM 202 N GLN A 32 6.050 0.207 7.807 1.00 0.00 N ATOM 203 CA GLN A 32 4.957 0.842 8.468 1.00 0.00 C ATOM 204 C GLN A 32 4.418 -0.151 9.525 1.00 0.00 C ATOM 205 O GLN A 32 4.063 0.230 10.636 1.00 0.00 O ATOM 206 CB GLN A 32 3.947 1.261 7.397 1.00 0.00 C ATOM 207 CG GLN A 32 3.975 2.762 7.018 1.00 0.00 C ATOM 208 CD GLN A 32 2.821 3.193 6.094 1.00 0.00 C ATOM 209 OE1 GLN A 32 1.749 2.602 6.170 1.00 0.00 O ATOM 210 NE2 GLN A 32 2.993 4.204 5.226 1.00 0.00 N ATOM 0 H GLN A 32 5.906 0.025 6.814 1.00 0.00 H new ATOM 0 HA GLN A 32 5.228 1.751 9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.129 0.672 6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.946 1.009 7.746 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.939 3.358 7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.923 2.986 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.891 4.685 5.175 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.226 4.490 4.618 1.00 0.00 H new ATOM 211 N GLY A 33 4.404 -1.439 9.153 1.00 0.00 N ATOM 212 CA GLY A 33 4.015 -2.601 9.954 1.00 0.00 C ATOM 213 C GLY A 33 2.868 -3.336 9.271 1.00 0.00 C ATOM 214 O GLY A 33 1.872 -2.698 8.987 1.00 0.00 O ATOM 0 H GLY A 33 4.686 -1.713 8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.866 -3.271 10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.712 -2.282 10.951 1.00 0.00 H new ATOM 215 N ALA A 34 2.956 -4.642 8.995 1.00 0.00 N ATOM 216 CA ALA A 34 1.920 -5.407 8.298 1.00 0.00 C ATOM 217 C ALA A 34 0.513 -5.097 8.799 1.00 0.00 C ATOM 218 O ALA A 34 -0.387 -4.848 8.005 1.00 0.00 O ATOM 219 CB ALA A 34 2.200 -6.907 8.441 1.00 0.00 C ATOM 0 H ALA A 34 3.765 -5.206 9.255 1.00 0.00 H new ATOM 0 HA ALA A 34 1.958 -5.111 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.427 -7.473 7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.173 -7.139 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.200 -7.178 9.497 1.00 0.00 H new ATOM 220 N GLU A 35 0.325 -5.104 10.116 1.00 0.00 N ATOM 221 CA GLU A 35 -0.981 -4.813 10.705 1.00 0.00 C ATOM 222 C GLU A 35 -1.429 -3.394 10.319 1.00 0.00 C ATOM 223 O GLU A 35 -2.585 -3.160 9.969 1.00 0.00 O ATOM 224 CB GLU A 35 -0.891 -4.982 12.228 1.00 0.00 C ATOM 225 CG GLU A 35 -2.266 -4.851 12.897 1.00 0.00 C ATOM 226 CD GLU A 35 -2.165 -5.072 14.403 1.00 0.00 C ATOM 227 OE1 GLU A 35 -1.730 -4.121 15.086 1.00 0.00 O ATOM 228 OE2 GLU A 35 -2.511 -6.191 14.839 1.00 0.00 O ATOM 0 H GLU A 35 1.058 -5.307 10.795 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.729 -5.508 10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.465 -5.958 12.461 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.214 -4.232 12.638 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.678 -3.862 12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.955 -5.577 12.465 1.00 0.00 H new ATOM 229 N GLU A 36 -0.481 -2.459 10.380 1.00 0.00 N ATOM 230 CA GLU A 36 -0.641 -1.055 10.069 1.00 0.00 C ATOM 231 C GLU A 36 -1.079 -0.936 8.611 1.00 0.00 C ATOM 232 O GLU A 36 -2.173 -0.485 8.295 1.00 0.00 O ATOM 233 CB GLU A 36 0.734 -0.390 10.301 1.00 0.00 C ATOM 234 CG GLU A 36 0.710 0.949 11.028 1.00 0.00 C ATOM 235 CD GLU A 36 -0.119 1.975 10.274 1.00 0.00 C ATOM 236 OE1 GLU A 36 -1.343 2.001 10.526 1.00 0.00 O ATOM 237 OE2 GLU A 36 0.483 2.697 9.451 1.00 0.00 O ATOM 0 H GLU A 36 0.472 -2.684 10.666 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.393 -0.568 10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.358 -1.079 10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.215 -0.248 9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.301 0.814 12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.729 1.318 11.147 1.00 0.00 H new ATOM 238 N LEU A 37 -0.187 -1.396 7.739 1.00 0.00 N ATOM 239 CA LEU A 37 -0.301 -1.431 6.296 1.00 0.00 C ATOM 240 C LEU A 37 -1.640 -2.040 5.902 1.00 0.00 C ATOM 241 O LEU A 37 -2.330 -1.511 5.036 1.00 0.00 O ATOM 242 CB LEU A 37 0.883 -2.241 5.748 1.00 0.00 C ATOM 243 CG LEU A 37 2.200 -1.454 5.859 1.00 0.00 C ATOM 244 CD1 LEU A 37 3.421 -2.378 5.853 1.00 0.00 C ATOM 245 CD2 LEU A 37 2.307 -0.484 4.683 1.00 0.00 C ATOM 0 H LEU A 37 0.702 -1.783 8.055 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.268 -0.427 5.873 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.970 -3.178 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.698 -2.499 4.705 1.00 0.00 H new ATOM 0 HG LEU A 37 2.187 -0.916 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.329 -1.781 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.362 -3.064 6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.442 -2.947 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.239 0.076 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.293 -1.043 3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.465 0.208 4.704 1.00 0.00 H new ATOM 246 N TYR A 38 -2.022 -3.145 6.540 1.00 0.00 N ATOM 247 CA TYR A 38 -3.284 -3.801 6.270 1.00 0.00 C ATOM 248 C TYR A 38 -4.446 -2.904 6.666 1.00 0.00 C ATOM 249 O TYR A 38 -5.341 -2.698 5.855 1.00 0.00 O ATOM 250 CB TYR A 38 -3.355 -5.115 7.036 1.00 0.00 C ATOM 251 CG TYR A 38 -4.720 -5.776 6.977 1.00 0.00 C ATOM 252 CD1 TYR A 38 -5.194 -6.335 5.774 1.00 0.00 C ATOM 253 CD2 TYR A 38 -5.599 -5.611 8.063 1.00 0.00 C ATOM 254 CE1 TYR A 38 -6.527 -6.777 5.679 1.00 0.00 C ATOM 255 CE2 TYR A 38 -6.936 -6.022 7.956 1.00 0.00 C ATOM 256 CZ TYR A 38 -7.397 -6.619 6.774 1.00 0.00 C ATOM 257 OH TYR A 38 -8.699 -7.009 6.704 1.00 0.00 O ATOM 0 H TYR A 38 -1.460 -3.604 7.257 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.352 -4.004 5.201 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.610 -5.802 6.634 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.092 -4.934 8.078 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.534 -6.425 4.924 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.244 -5.167 8.981 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.881 -7.236 4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.612 -5.878 8.786 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.853 -7.484 5.861 1.00 0.00 H new ATOM 258 N LYS A 39 -4.459 -2.385 7.898 1.00 0.00 N ATOM 259 CA LYS A 39 -5.549 -1.524 8.336 1.00 0.00 C ATOM 260 C LYS A 39 -5.663 -0.321 7.397 1.00 0.00 C ATOM 261 O LYS A 39 -6.762 0.116 7.055 1.00 0.00 O ATOM 262 CB LYS A 39 -5.302 -1.073 9.783 1.00 0.00 C ATOM 263 CG LYS A 39 -6.529 -0.364 10.384 1.00 0.00 C ATOM 264 CD LYS A 39 -6.210 1.033 10.939 1.00 0.00 C ATOM 265 CE LYS A 39 -5.879 2.080 9.864 1.00 0.00 C ATOM 266 NZ LYS A 39 -7.002 2.306 8.934 1.00 0.00 N ATOM 0 H LYS A 39 -3.735 -2.546 8.598 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.489 -2.074 8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.048 -1.939 10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.445 -0.401 9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.301 -0.276 9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.941 -0.980 11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.063 1.384 11.521 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.367 0.955 11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.615 3.021 10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.004 1.755 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.879 3.222 8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.023 1.547 8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.897 2.309 9.464 1.00 0.00 H new ATOM 267 N LYS A 40 -4.518 0.210 6.972 1.00 0.00 N ATOM 268 CA LYS A 40 -4.431 1.353 6.099 1.00 0.00 C ATOM 269 C LYS A 40 -5.037 1.010 4.733 1.00 0.00 C ATOM 270 O LYS A 40 -5.905 1.728 4.233 1.00 0.00 O ATOM 271 CB LYS A 40 -2.950 1.721 6.024 1.00 0.00 C ATOM 272 CG LYS A 40 -2.409 2.401 7.294 1.00 0.00 C ATOM 273 CD LYS A 40 -2.766 3.889 7.313 1.00 0.00 C ATOM 274 CE LYS A 40 -2.189 4.642 8.516 1.00 0.00 C ATOM 275 NZ LYS A 40 -2.826 4.234 9.777 1.00 0.00 N ATOM 0 H LYS A 40 -3.607 -0.162 7.239 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.997 2.208 6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.371 0.817 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.794 2.385 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.822 1.913 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.327 2.282 7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.403 4.353 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.851 3.994 7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.116 4.461 8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.324 5.714 8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.837 5.038 10.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.802 3.927 9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.291 3.448 10.198 1.00 0.00 H new ATOM 276 N MET A 41 -4.599 -0.101 4.135 1.00 0.00 N ATOM 277 CA MET A 41 -5.112 -0.550 2.851 1.00 0.00 C ATOM 278 C MET A 41 -6.602 -0.821 2.957 1.00 0.00 C ATOM 279 O MET A 41 -7.335 -0.443 2.057 1.00 0.00 O ATOM 280 CB MET A 41 -4.389 -1.813 2.381 1.00 0.00 C ATOM 281 CG MET A 41 -3.562 -1.493 1.133 1.00 0.00 C ATOM 282 SD MET A 41 -2.594 -2.863 0.460 1.00 0.00 S ATOM 283 CE MET A 41 -1.938 -3.537 1.996 1.00 0.00 C ATOM 0 H MET A 41 -3.881 -0.708 4.531 1.00 0.00 H new ATOM 0 HA MET A 41 -4.935 0.238 2.119 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.741 -2.190 3.173 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.112 -2.598 2.160 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.236 -1.133 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.882 -0.674 1.370 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.162 -4.268 1.770 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.514 -2.731 2.595 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.741 -4.020 2.553 1.00 0.00 H new ATOM 284 N LYS A 42 -7.048 -1.486 4.024 1.00 0.00 N ATOM 285 CA LYS A 42 -8.456 -1.766 4.251 1.00 0.00 C ATOM 286 C LYS A 42 -9.188 -0.423 4.237 1.00 0.00 C ATOM 287 O LYS A 42 -10.179 -0.256 3.532 1.00 0.00 O ATOM 288 CB LYS A 42 -8.622 -2.517 5.582 1.00 0.00 C ATOM 289 CG LYS A 42 -9.999 -3.170 5.755 1.00 0.00 C ATOM 290 CD LYS A 42 -10.166 -4.388 4.834 1.00 0.00 C ATOM 291 CE LYS A 42 -11.384 -5.216 5.257 1.00 0.00 C ATOM 292 NZ LYS A 42 -11.531 -6.421 4.422 1.00 0.00 N ATOM 0 H LYS A 42 -6.435 -1.845 4.756 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.878 -2.408 3.478 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.853 -3.287 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.454 -1.822 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.129 -3.477 6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.779 -2.440 5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.284 -4.058 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.268 -5.005 4.871 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.283 -5.506 6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.284 -4.607 5.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.418 -6.906 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.549 -6.148 3.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.729 -7.061 4.592 1.00 0.00 H new ATOM 293 N GLY A 43 -8.640 0.547 4.975 1.00 0.00 N ATOM 294 CA GLY A 43 -9.151 1.899 5.049 1.00 0.00 C ATOM 295 C GLY A 43 -9.333 2.486 3.649 1.00 0.00 C ATOM 296 O GLY A 43 -10.397 3.012 3.342 1.00 0.00 O ATOM 0 H GLY A 43 -7.809 0.400 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.104 1.904 5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.465 2.521 5.623 1.00 0.00 H new ATOM 297 N TYR A 44 -8.314 2.417 2.783 1.00 0.00 N ATOM 298 CA TYR A 44 -8.458 2.944 1.428 1.00 0.00 C ATOM 299 C TYR A 44 -9.439 2.091 0.612 1.00 0.00 C ATOM 300 O TYR A 44 -10.230 2.630 -0.153 1.00 0.00 O ATOM 301 CB TYR A 44 -7.095 3.006 0.725 1.00 0.00 C ATOM 302 CG TYR A 44 -6.145 4.074 1.237 1.00 0.00 C ATOM 303 CD1 TYR A 44 -6.510 5.434 1.187 1.00 0.00 C ATOM 304 CD2 TYR A 44 -4.838 3.724 1.626 1.00 0.00 C ATOM 305 CE1 TYR A 44 -5.603 6.422 1.608 1.00 0.00 C ATOM 306 CE2 TYR A 44 -3.914 4.723 1.972 1.00 0.00 C ATOM 307 CZ TYR A 44 -4.309 6.067 2.011 1.00 0.00 C ATOM 308 OH TYR A 44 -3.475 7.014 2.521 1.00 0.00 O ATOM 0 H TYR A 44 -7.402 2.011 2.993 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.859 3.955 1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.610 2.035 0.824 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.262 3.172 -0.339 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.487 5.718 0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.545 2.685 1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.905 7.459 1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.895 4.455 2.209 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.776 6.581 3.055 1.00 0.00 H new ATOM 309 N ALA A 45 -9.399 0.766 0.776 1.00 0.00 N ATOM 310 CA ALA A 45 -10.239 -0.190 0.069 1.00 0.00 C ATOM 311 C ALA A 45 -11.714 0.171 0.274 1.00 0.00 C ATOM 312 O ALA A 45 -12.468 0.282 -0.689 1.00 0.00 O ATOM 313 CB ALA A 45 -9.963 -1.615 0.556 1.00 0.00 C ATOM 0 H ALA A 45 -8.756 0.319 1.429 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.006 -0.146 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.601 -2.314 0.015 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.917 -1.865 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.174 -1.682 1.623 1.00 0.00 H new ATOM 314 N ASP A 46 -12.120 0.340 1.540 1.00 0.00 N ATOM 315 CA ASP A 46 -13.490 0.688 1.909 1.00 0.00 C ATOM 316 C ASP A 46 -13.732 2.204 1.846 1.00 0.00 C ATOM 317 O ASP A 46 -14.880 2.632 1.755 1.00 0.00 O ATOM 318 CB ASP A 46 -13.846 0.088 3.282 1.00 0.00 C ATOM 319 CG ASP A 46 -12.961 0.528 4.447 1.00 0.00 C ATOM 320 OD1 ASP A 46 -12.641 1.732 4.513 1.00 0.00 O ATOM 321 OD2 ASP A 46 -12.637 -0.351 5.276 1.00 0.00 O ATOM 0 H ASP A 46 -11.497 0.237 2.341 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.164 0.247 1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.878 0.349 3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.801 -0.998 3.206 1.00 0.00 H new ATOM 322 N GLY A 47 -12.674 3.018 1.888 1.00 0.00 N ATOM 323 CA GLY A 47 -12.740 4.471 1.814 1.00 0.00 C ATOM 324 C GLY A 47 -12.906 5.148 3.177 1.00 0.00 C ATOM 325 O GLY A 47 -13.292 6.313 3.232 1.00 0.00 O ATOM 0 H GLY A 47 -11.720 2.668 1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.832 4.844 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.574 4.756 1.172 1.00 0.00 H new ATOM 326 N SER A 48 -12.590 4.458 4.278 1.00 0.00 N ATOM 327 CA SER A 48 -12.700 4.985 5.636 1.00 0.00 C ATOM 328 C SER A 48 -11.328 5.429 6.158 1.00 0.00 C ATOM 329 O SER A 48 -11.031 5.249 7.340 1.00 0.00 O ATOM 330 CB SER A 48 -13.318 3.908 6.541 1.00 0.00 C ATOM 331 OG SER A 48 -13.572 4.434 7.828 1.00 0.00 O ATOM 0 H SER A 48 -12.244 3.499 4.246 1.00 0.00 H new ATOM 0 HA SER A 48 -13.346 5.863 5.636 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.246 3.542 6.101 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.643 3.055 6.616 1.00 0.00 H new ATOM 0 HG SER A 48 -12.792 4.944 8.133 1.00 0.00 H new ATOM 332 N TYR A 49 -10.490 6.006 5.294 1.00 0.00 N ATOM 333 CA TYR A 49 -9.154 6.485 5.618 1.00 0.00 C ATOM 334 C TYR A 49 -8.701 7.391 4.474 1.00 0.00 C ATOM 335 O TYR A 49 -9.296 7.353 3.397 1.00 0.00 O ATOM 336 CB TYR A 49 -8.221 5.281 5.802 1.00 0.00 C ATOM 337 CG TYR A 49 -6.760 5.609 6.028 1.00 0.00 C ATOM 338 CD1 TYR A 49 -6.365 6.434 7.099 1.00 0.00 C ATOM 339 CD2 TYR A 49 -5.799 5.153 5.110 1.00 0.00 C ATOM 340 CE1 TYR A 49 -5.043 6.909 7.168 1.00 0.00 C ATOM 341 CE2 TYR A 49 -4.472 5.591 5.215 1.00 0.00 C ATOM 342 CZ TYR A 49 -4.112 6.544 6.180 1.00 0.00 C ATOM 343 OH TYR A 49 -2.827 6.998 6.246 1.00 0.00 O ATOM 0 H TYR A 49 -10.737 6.156 4.316 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.140 7.054 6.548 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.578 4.695 6.649 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.299 4.646 4.919 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.076 6.702 7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.082 4.467 4.326 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.743 7.554 7.980 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.721 5.192 4.549 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.309 6.622 5.504 1.00 0.00 H new ATOM 344 N GLY A 50 -7.671 8.209 4.705 1.00 0.00 N ATOM 345 CA GLY A 50 -7.150 9.124 3.707 1.00 0.00 C ATOM 346 C GLY A 50 -5.678 9.443 3.926 1.00 0.00 C ATOM 347 O GLY A 50 -5.046 8.958 4.857 1.00 0.00 O ATOM 0 H GLY A 50 -7.178 8.249 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.282 8.690 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.727 10.049 3.729 1.00 0.00 H new ATOM 348 N GLY A 51 -5.165 10.295 3.045 1.00 0.00 N ATOM 349 CA GLY A 51 -3.841 10.802 2.914 1.00 0.00 C ATOM 350 C GLY A 51 -3.850 11.765 1.737 1.00 0.00 C ATOM 351 O GLY A 51 -4.868 11.901 1.058 1.00 0.00 O ATOM 0 H GLY A 51 -5.765 10.686 2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.531 11.311 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.132 9.991 2.744 1.00 0.00 H new ATOM 352 N GLU A 52 -2.719 12.418 1.511 1.00 0.00 N ATOM 353 CA GLU A 52 -2.506 13.398 0.452 1.00 0.00 C ATOM 354 C GLU A 52 -3.112 12.941 -0.884 1.00 0.00 C ATOM 355 O GLU A 52 -3.851 13.701 -1.513 1.00 0.00 O ATOM 356 CB GLU A 52 -1.000 13.669 0.306 1.00 0.00 C ATOM 357 CG GLU A 52 -0.383 14.220 1.601 1.00 0.00 C ATOM 358 CD GLU A 52 1.118 14.440 1.450 1.00 0.00 C ATOM 359 OE1 GLU A 52 1.832 13.421 1.328 1.00 0.00 O ATOM 360 OE2 GLU A 52 1.522 15.622 1.454 1.00 0.00 O ATOM 0 H GLU A 52 -1.888 12.274 2.085 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.017 14.320 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.492 12.746 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.837 14.380 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.866 15.161 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.570 13.525 2.420 1.00 0.00 H new ATOM 361 N ARG A 53 -2.804 11.714 -1.318 1.00 0.00 N ATOM 362 CA ARG A 53 -3.279 11.131 -2.571 1.00 0.00 C ATOM 363 C ARG A 53 -4.276 9.994 -2.310 1.00 0.00 C ATOM 364 O ARG A 53 -4.293 9.016 -3.062 1.00 0.00 O ATOM 365 CB ARG A 53 -2.078 10.607 -3.382 1.00 0.00 C ATOM 366 CG ARG A 53 -0.900 11.579 -3.574 1.00 0.00 C ATOM 367 CD ARG A 53 -1.225 12.805 -4.436 1.00 0.00 C ATOM 368 NE ARG A 53 -1.916 13.838 -3.651 1.00 0.00 N ATOM 369 CZ ARG A 53 -1.455 15.042 -3.279 1.00 0.00 C ATOM 370 NH1 ARG A 53 -0.266 15.505 -3.682 1.00 0.00 N ATOM 371 NH2 ARG A 53 -2.222 15.778 -2.470 1.00 0.00 N ATOM 0 H ARG A 53 -2.200 11.084 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.795 11.905 -3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.702 9.709 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.436 10.307 -4.367 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.561 11.918 -2.595 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.070 11.039 -4.030 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.305 13.215 -4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.849 12.506 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.864 13.611 -3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.322 14.937 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.052 16.426 -3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.124 15.419 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.906 16.699 -2.165 1.00 0.00 H new ATOM 372 N LYS A 54 -5.141 10.125 -1.292 1.00 0.00 N ATOM 373 CA LYS A 54 -6.115 9.095 -0.936 1.00 0.00 C ATOM 374 C LYS A 54 -6.892 8.562 -2.142 1.00 0.00 C ATOM 375 O LYS A 54 -7.180 7.371 -2.217 1.00 0.00 O ATOM 376 CB LYS A 54 -7.139 9.621 0.086 1.00 0.00 C ATOM 377 CG LYS A 54 -8.187 10.666 -0.347 1.00 0.00 C ATOM 378 CD LYS A 54 -7.613 12.056 -0.663 1.00 0.00 C ATOM 379 CE LYS A 54 -8.719 13.079 -0.950 1.00 0.00 C ATOM 380 NZ LYS A 54 -9.475 12.753 -2.172 1.00 0.00 N ATOM 0 H LYS A 54 -5.180 10.951 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.526 8.283 -0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.681 8.759 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.578 10.048 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.709 10.294 -1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.930 10.766 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.010 12.399 0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.949 11.987 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.403 13.120 -0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.277 14.070 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.166 13.506 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.819 12.672 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.974 11.850 -2.041 1.00 0.00 H new ATOM 381 N ALA A 55 -7.276 9.454 -3.060 1.00 0.00 N ATOM 382 CA ALA A 55 -8.049 9.099 -4.240 1.00 0.00 C ATOM 383 C ALA A 55 -7.264 8.134 -5.121 1.00 0.00 C ATOM 384 O ALA A 55 -7.765 7.065 -5.465 1.00 0.00 O ATOM 385 CB ALA A 55 -8.420 10.368 -5.014 1.00 0.00 C ATOM 0 H ALA A 55 -7.055 10.448 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.966 8.598 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.999 10.099 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.014 11.023 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.511 10.886 -5.320 1.00 0.00 H new ATOM 386 N MET A 56 -6.032 8.513 -5.477 1.00 0.00 N ATOM 387 CA MET A 56 -5.167 7.686 -6.306 1.00 0.00 C ATOM 388 C MET A 56 -5.000 6.338 -5.609 1.00 0.00 C ATOM 389 O MET A 56 -5.151 5.284 -6.229 1.00 0.00 O ATOM 390 CB MET A 56 -3.817 8.392 -6.523 1.00 0.00 C ATOM 391 CG MET A 56 -3.132 7.925 -7.814 1.00 0.00 C ATOM 392 SD MET A 56 -2.568 6.203 -7.852 1.00 0.00 S ATOM 393 CE MET A 56 -2.156 6.055 -9.605 1.00 0.00 C ATOM 0 H MET A 56 -5.613 9.400 -5.197 1.00 0.00 H new ATOM 0 HA MET A 56 -5.604 7.526 -7.292 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.973 9.470 -6.563 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.163 8.196 -5.673 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.825 8.075 -8.642 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.272 8.570 -7.997 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.789 5.049 -9.809 1.00 0.00 H new ATOM 0 HE2 MET A 56 -3.046 6.245 -10.205 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.384 6.781 -9.860 1.00 0.00 H new ATOM 394 N MET A 57 -4.733 6.393 -4.301 1.00 0.00 N ATOM 395 CA MET A 57 -4.555 5.213 -3.481 1.00 0.00 C ATOM 396 C MET A 57 -5.771 4.295 -3.599 1.00 0.00 C ATOM 397 O MET A 57 -5.641 3.150 -4.015 1.00 0.00 O ATOM 398 CB MET A 57 -4.262 5.645 -2.034 1.00 0.00 C ATOM 399 CG MET A 57 -2.753 5.591 -1.771 1.00 0.00 C ATOM 400 SD MET A 57 -2.003 3.978 -2.112 1.00 0.00 S ATOM 401 CE MET A 57 -2.912 2.897 -0.987 1.00 0.00 C ATOM 0 H MET A 57 -4.636 7.269 -3.787 1.00 0.00 H new ATOM 0 HA MET A 57 -3.701 4.632 -3.829 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.634 6.655 -1.864 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.786 4.991 -1.337 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.261 6.346 -2.384 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.566 5.854 -0.730 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.736 1.857 -1.261 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.571 3.066 0.035 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.978 3.115 -1.055 1.00 0.00 H new ATOM 402 N THR A 58 -6.960 4.789 -3.262 1.00 0.00 N ATOM 403 CA THR A 58 -8.211 4.054 -3.376 1.00 0.00 C ATOM 404 C THR A 58 -8.317 3.451 -4.782 1.00 0.00 C ATOM 405 O THR A 58 -8.622 2.271 -4.923 1.00 0.00 O ATOM 406 CB THR A 58 -9.381 5.004 -3.075 1.00 0.00 C ATOM 407 OG1 THR A 58 -9.216 5.556 -1.783 1.00 0.00 O ATOM 408 CG2 THR A 58 -10.728 4.277 -3.129 1.00 0.00 C ATOM 0 H THR A 58 -7.080 5.733 -2.894 1.00 0.00 H new ATOM 0 HA THR A 58 -8.244 3.236 -2.656 1.00 0.00 H new ATOM 0 HB THR A 58 -9.379 5.786 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.585 6.304 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.531 4.981 -2.911 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.875 3.856 -4.124 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.739 3.475 -2.391 1.00 0.00 H new ATOM 409 N ASN A 59 -8.039 4.242 -5.823 1.00 0.00 N ATOM 410 CA ASN A 59 -8.066 3.776 -7.209 1.00 0.00 C ATOM 411 C ASN A 59 -7.102 2.596 -7.408 1.00 0.00 C ATOM 412 O ASN A 59 -7.417 1.657 -8.134 1.00 0.00 O ATOM 413 CB ASN A 59 -7.751 4.954 -8.154 1.00 0.00 C ATOM 414 CG ASN A 59 -6.768 4.612 -9.272 1.00 0.00 C ATOM 415 OD1 ASN A 59 -7.166 4.299 -10.388 1.00 0.00 O ATOM 416 ND2 ASN A 59 -5.471 4.691 -8.989 1.00 0.00 N ATOM 0 H ASN A 59 -7.788 5.226 -5.726 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.063 3.407 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.681 5.308 -8.599 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.345 5.778 -7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.778 4.489 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.169 4.954 -8.051 1.00 0.00 H new ATOM 417 N ALA A 60 -5.934 2.632 -6.766 1.00 0.00 N ATOM 418 CA ALA A 60 -4.926 1.591 -6.878 1.00 0.00 C ATOM 419 C ALA A 60 -5.299 0.349 -6.055 1.00 0.00 C ATOM 420 O ALA A 60 -4.995 -0.775 -6.440 1.00 0.00 O ATOM 421 CB ALA A 60 -3.591 2.186 -6.410 1.00 0.00 C ATOM 0 H ALA A 60 -5.663 3.396 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.851 1.258 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.810 1.429 -6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.331 3.036 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.683 2.516 -5.375 1.00 0.00 H new ATOM 422 N VAL A 61 -5.976 0.554 -4.928 1.00 0.00 N ATOM 423 CA VAL A 61 -6.360 -0.467 -3.962 1.00 0.00 C ATOM 424 C VAL A 61 -7.680 -1.181 -4.253 1.00 0.00 C ATOM 425 O VAL A 61 -7.772 -2.374 -3.982 1.00 0.00 O ATOM 426 CB VAL A 61 -6.369 0.235 -2.594 1.00 0.00 C ATOM 427 CG1 VAL A 61 -7.024 -0.535 -1.456 1.00 0.00 C ATOM 428 CG2 VAL A 61 -4.926 0.509 -2.174 1.00 0.00 C ATOM 0 H VAL A 61 -6.287 1.485 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.642 -1.286 -4.005 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.966 1.134 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.973 0.055 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.067 -0.732 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.502 -1.480 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.918 1.007 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.383 -0.433 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.447 1.149 -2.915 1.00 0.00 H new ATOM 429 N LYS A 62 -8.697 -0.506 -4.793 1.00 0.00 N ATOM 430 CA LYS A 62 -10.009 -1.107 -5.044 1.00 0.00 C ATOM 431 C LYS A 62 -9.938 -2.418 -5.840 1.00 0.00 C ATOM 432 O LYS A 62 -10.802 -3.277 -5.687 1.00 0.00 O ATOM 433 CB LYS A 62 -10.929 -0.090 -5.736 1.00 0.00 C ATOM 434 CG LYS A 62 -10.433 0.343 -7.122 1.00 0.00 C ATOM 435 CD LYS A 62 -11.290 1.469 -7.719 1.00 0.00 C ATOM 436 CE LYS A 62 -12.760 1.083 -7.938 1.00 0.00 C ATOM 437 NZ LYS A 62 -12.899 -0.119 -8.779 1.00 0.00 N ATOM 0 H LYS A 62 -8.634 0.474 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.427 -1.373 -4.073 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.925 -0.522 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.025 0.791 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.398 0.677 -7.048 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.444 -0.515 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.247 2.335 -7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.859 1.774 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.235 0.907 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.287 1.915 -8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.904 -0.275 -8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.367 0.013 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.524 -0.944 -8.269 1.00 0.00 H new ATOM 438 N LYS A 63 -8.927 -2.578 -6.700 1.00 0.00 N ATOM 439 CA LYS A 63 -8.763 -3.785 -7.499 1.00 0.00 C ATOM 440 C LYS A 63 -8.255 -4.978 -6.671 1.00 0.00 C ATOM 441 O LYS A 63 -8.199 -6.088 -7.196 1.00 0.00 O ATOM 442 CB LYS A 63 -7.824 -3.498 -8.682 1.00 0.00 C ATOM 443 CG LYS A 63 -6.506 -2.825 -8.276 1.00 0.00 C ATOM 444 CD LYS A 63 -5.445 -3.047 -9.359 1.00 0.00 C ATOM 445 CE LYS A 63 -4.174 -2.264 -9.016 1.00 0.00 C ATOM 446 NZ LYS A 63 -3.054 -2.636 -9.896 1.00 0.00 N ATOM 0 H LYS A 63 -8.205 -1.875 -6.858 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.746 -4.069 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.601 -4.435 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.342 -2.860 -9.398 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.665 -1.757 -8.126 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.158 -3.232 -7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.216 -4.109 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.829 -2.726 -10.327 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.369 -1.195 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.900 -2.451 -7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.438 -1.811 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.507 -3.404 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.425 -2.956 -10.813 1.00 0.00 H new ATOM 447 N TYR A 64 -7.864 -4.778 -5.407 1.00 0.00 N ATOM 448 CA TYR A 64 -7.368 -5.794 -4.516 1.00 0.00 C ATOM 449 C TYR A 64 -8.403 -5.983 -3.411 1.00 0.00 C ATOM 450 O TYR A 64 -9.026 -5.043 -2.926 1.00 0.00 O ATOM 451 CB TYR A 64 -6.012 -5.364 -3.949 1.00 0.00 C ATOM 452 CG TYR A 64 -4.916 -5.062 -4.962 1.00 0.00 C ATOM 453 CD1 TYR A 64 -4.855 -5.729 -6.202 1.00 0.00 C ATOM 454 CD2 TYR A 64 -3.902 -4.147 -4.625 1.00 0.00 C ATOM 455 CE1 TYR A 64 -3.801 -5.468 -7.092 1.00 0.00 C ATOM 456 CE2 TYR A 64 -2.801 -3.960 -5.481 1.00 0.00 C ATOM 457 CZ TYR A 64 -2.742 -4.632 -6.712 1.00 0.00 C ATOM 458 OH TYR A 64 -1.694 -4.451 -7.569 1.00 0.00 O ATOM 0 H TYR A 64 -7.892 -3.856 -4.972 1.00 0.00 H new ATOM 0 HA TYR A 64 -7.217 -6.739 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.165 -4.475 -3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.655 -6.151 -3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.621 -6.443 -6.468 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.969 -3.585 -3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.806 -5.914 -8.076 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.999 -3.298 -5.190 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.889 -4.864 -7.193 1.00 0.00 H new ATOM 459 N SER A 65 -8.570 -7.243 -3.045 1.00 0.00 N ATOM 460 CA SER A 65 -9.484 -7.764 -2.045 1.00 0.00 C ATOM 461 C SER A 65 -8.705 -8.130 -0.787 1.00 0.00 C ATOM 462 O SER A 65 -7.487 -8.260 -0.843 1.00 0.00 O ATOM 463 CB SER A 65 -10.198 -8.971 -2.653 1.00 0.00 C ATOM 464 OG SER A 65 -9.265 -9.982 -2.974 1.00 0.00 O ATOM 0 H SER A 65 -8.024 -7.989 -3.476 1.00 0.00 H new ATOM 0 HA SER A 65 -10.229 -7.022 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.936 -9.358 -1.950 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.739 -8.668 -3.549 1.00 0.00 H new ATOM 0 HG SER A 65 -9.735 -10.750 -3.361 1.00 0.00 H new ATOM 465 N ASP A 66 -9.408 -8.317 0.333 1.00 0.00 N ATOM 466 CA ASP A 66 -8.849 -8.630 1.646 1.00 0.00 C ATOM 467 C ASP A 66 -7.588 -9.502 1.619 1.00 0.00 C ATOM 468 O ASP A 66 -6.590 -9.158 2.246 1.00 0.00 O ATOM 469 CB ASP A 66 -9.928 -9.316 2.489 1.00 0.00 C ATOM 470 CG ASP A 66 -9.429 -9.515 3.912 1.00 0.00 C ATOM 471 OD1 ASP A 66 -9.475 -8.512 4.657 1.00 0.00 O ATOM 472 OD2 ASP A 66 -8.997 -10.646 4.222 1.00 0.00 O ATOM 0 H ASP A 66 -10.426 -8.251 0.348 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.536 -7.680 2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.835 -8.712 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.188 -10.278 2.048 1.00 0.00 H new ATOM 473 N GLU A 67 -7.623 -10.624 0.897 1.00 0.00 N ATOM 474 CA GLU A 67 -6.477 -11.524 0.834 1.00 0.00 C ATOM 475 C GLU A 67 -5.299 -10.860 0.118 1.00 0.00 C ATOM 476 O GLU A 67 -4.158 -10.943 0.570 1.00 0.00 O ATOM 477 CB GLU A 67 -6.895 -12.837 0.154 1.00 0.00 C ATOM 478 CG GLU A 67 -5.753 -13.866 0.092 1.00 0.00 C ATOM 479 CD GLU A 67 -5.117 -14.157 1.453 1.00 0.00 C ATOM 480 OE1 GLU A 67 -5.879 -14.229 2.442 1.00 0.00 O ATOM 481 OE2 GLU A 67 -3.876 -14.302 1.476 1.00 0.00 O ATOM 0 H GLU A 67 -8.430 -10.927 0.351 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.141 -11.753 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.738 -13.268 0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.241 -12.623 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.136 -14.796 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.984 -13.502 -0.589 1.00 0.00 H new ATOM 482 N GLU A 68 -5.573 -10.194 -1.002 1.00 0.00 N ATOM 483 CA GLU A 68 -4.564 -9.507 -1.779 1.00 0.00 C ATOM 484 C GLU A 68 -3.973 -8.380 -0.925 1.00 0.00 C ATOM 485 O GLU A 68 -2.760 -8.208 -0.881 1.00 0.00 O ATOM 486 CB GLU A 68 -5.213 -9.006 -3.076 1.00 0.00 C ATOM 487 CG GLU A 68 -5.938 -10.113 -3.860 1.00 0.00 C ATOM 488 CD GLU A 68 -5.096 -11.369 -4.054 1.00 0.00 C ATOM 489 OE1 GLU A 68 -4.257 -11.375 -4.981 1.00 0.00 O ATOM 490 OE2 GLU A 68 -5.275 -12.320 -3.263 1.00 0.00 O ATOM 0 H GLU A 68 -6.512 -10.120 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.741 -10.165 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.924 -8.215 -2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.445 -8.564 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.856 -10.378 -3.335 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.229 -9.725 -4.836 1.00 0.00 H new ATOM 491 N LEU A 69 -4.829 -7.632 -0.224 1.00 0.00 N ATOM 492 CA LEU A 69 -4.421 -6.561 0.672 1.00 0.00 C ATOM 493 C LEU A 69 -3.514 -7.128 1.769 1.00 0.00 C ATOM 494 O LEU A 69 -2.442 -6.591 2.038 1.00 0.00 O ATOM 495 CB LEU A 69 -5.671 -5.907 1.278 1.00 0.00 C ATOM 496 CG LEU A 69 -6.583 -5.199 0.268 1.00 0.00 C ATOM 497 CD1 LEU A 69 -7.746 -4.541 1.017 1.00 0.00 C ATOM 498 CD2 LEU A 69 -5.847 -4.146 -0.552 1.00 0.00 C ATOM 0 H LEU A 69 -5.840 -7.760 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.862 -5.804 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.250 -6.673 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.356 -5.184 2.031 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.947 -5.953 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.398 -4.036 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.313 -5.304 1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.355 -3.815 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.541 -3.678 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.436 -3.388 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.037 -4.618 -1.108 1.00 0.00 H new ATOM 499 N LYS A 70 -3.934 -8.220 2.407 1.00 0.00 N ATOM 500 CA LYS A 70 -3.163 -8.878 3.452 1.00 0.00 C ATOM 501 C LYS A 70 -1.789 -9.282 2.904 1.00 0.00 C ATOM 502 O LYS A 70 -0.761 -9.004 3.526 1.00 0.00 O ATOM 503 CB LYS A 70 -3.977 -10.078 3.952 1.00 0.00 C ATOM 504 CG LYS A 70 -3.372 -10.784 5.168 1.00 0.00 C ATOM 505 CD LYS A 70 -4.098 -12.102 5.492 1.00 0.00 C ATOM 506 CE LYS A 70 -5.603 -11.944 5.766 1.00 0.00 C ATOM 507 NZ LYS A 70 -6.409 -11.963 4.530 1.00 0.00 N ATOM 0 H LYS A 70 -4.826 -8.673 2.209 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.978 -8.211 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.982 -9.741 4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.077 -10.798 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.318 -10.988 4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.420 -10.122 6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.963 -12.792 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.628 -12.558 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.935 -12.747 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.776 -11.006 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.311 -12.447 4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.595 -10.987 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.889 -12.468 3.784 1.00 0.00 H new ATOM 508 N ALA A 71 -1.765 -9.913 1.725 1.00 0.00 N ATOM 509 CA ALA A 71 -0.531 -10.348 1.096 1.00 0.00 C ATOM 510 C ALA A 71 0.351 -9.134 0.819 1.00 0.00 C ATOM 511 O ALA A 71 1.555 -9.161 1.079 1.00 0.00 O ATOM 512 CB ALA A 71 -0.848 -11.110 -0.193 1.00 0.00 C ATOM 0 H ALA A 71 -2.604 -10.132 1.187 1.00 0.00 H new ATOM 0 HA ALA A 71 0.009 -11.021 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.081 -11.435 -0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.460 -11.981 0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.391 -10.458 -0.877 1.00 0.00 H new ATOM 513 N LEU A 72 -0.239 -8.055 0.298 1.00 0.00 N ATOM 514 CA LEU A 72 0.516 -6.857 0.020 1.00 0.00 C ATOM 515 C LEU A 72 1.129 -6.303 1.289 1.00 0.00 C ATOM 516 O LEU A 72 2.307 -5.974 1.285 1.00 0.00 O ATOM 517 CB LEU A 72 -0.438 -5.822 -0.547 1.00 0.00 C ATOM 518 CG LEU A 72 -0.510 -6.055 -2.039 1.00 0.00 C ATOM 519 CD1 LEU A 72 -1.550 -5.110 -2.578 1.00 0.00 C ATOM 520 CD2 LEU A 72 0.833 -5.692 -2.653 1.00 0.00 C ATOM 0 H LEU A 72 -1.231 -7.998 0.066 1.00 0.00 H new ATOM 0 HA LEU A 72 1.316 -7.090 -0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.425 -5.918 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.085 -4.814 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.754 -7.092 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.638 -5.242 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.511 -5.319 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.256 -4.083 -2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.797 -5.855 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.054 -4.644 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.613 -6.317 -2.218 1.00 0.00 H new ATOM 521 N ALA A 73 0.339 -6.160 2.356 1.00 0.00 N ATOM 522 CA ALA A 73 0.845 -5.610 3.601 1.00 0.00 C ATOM 523 C ALA A 73 1.995 -6.470 4.101 1.00 0.00 C ATOM 524 O ALA A 73 2.995 -5.930 4.567 1.00 0.00 O ATOM 525 CB ALA A 73 -0.255 -5.550 4.660 1.00 0.00 C ATOM 0 H ALA A 73 -0.648 -6.418 2.376 1.00 0.00 H new ATOM 0 HA ALA A 73 1.195 -4.594 3.416 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.150 -5.134 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.069 -4.918 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.632 -6.555 4.850 1.00 0.00 H new ATOM 526 N ASP A 74 1.852 -7.799 4.022 1.00 0.00 N ATOM 527 CA ASP A 74 2.929 -8.692 4.421 1.00 0.00 C ATOM 528 C ASP A 74 4.181 -8.314 3.629 1.00 0.00 C ATOM 529 O ASP A 74 5.229 -8.080 4.227 1.00 0.00 O ATOM 530 CB ASP A 74 2.551 -10.158 4.185 1.00 0.00 C ATOM 531 CG ASP A 74 3.744 -11.066 4.466 1.00 0.00 C ATOM 532 OD1 ASP A 74 3.943 -11.391 5.655 1.00 0.00 O ATOM 533 OD2 ASP A 74 4.447 -11.403 3.487 1.00 0.00 O ATOM 0 H ASP A 74 1.010 -8.268 3.689 1.00 0.00 H new ATOM 0 HA ASP A 74 3.119 -8.584 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.716 -10.433 4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.217 -10.293 3.156 1.00 0.00 H new ATOM 534 N TYR A 75 4.065 -8.203 2.297 1.00 0.00 N ATOM 535 CA TYR A 75 5.211 -7.836 1.478 1.00 0.00 C ATOM 536 C TYR A 75 5.770 -6.478 1.912 1.00 0.00 C ATOM 537 O TYR A 75 6.950 -6.384 2.238 1.00 0.00 O ATOM 538 CB TYR A 75 4.881 -7.837 -0.017 1.00 0.00 C ATOM 539 CG TYR A 75 6.132 -7.552 -0.827 1.00 0.00 C ATOM 540 CD1 TYR A 75 7.166 -8.504 -0.801 1.00 0.00 C ATOM 541 CD2 TYR A 75 6.380 -6.272 -1.366 1.00 0.00 C ATOM 542 CE1 TYR A 75 8.420 -8.200 -1.347 1.00 0.00 C ATOM 543 CE2 TYR A 75 7.636 -5.974 -1.932 1.00 0.00 C ATOM 544 CZ TYR A 75 8.653 -6.948 -1.932 1.00 0.00 C ATOM 545 OH TYR A 75 9.867 -6.735 -2.511 1.00 0.00 O ATOM 0 H TYR A 75 3.201 -8.361 1.779 1.00 0.00 H new ATOM 0 HA TYR A 75 5.976 -8.596 1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.464 -8.802 -0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.121 -7.085 -0.230 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.993 -9.474 -0.358 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.606 -5.519 -1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.211 -8.934 -1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.818 -5.001 -2.365 1.00 0.00 H new ATOM 0 HH TYR A 75 9.944 -5.794 -2.773 1.00 0.00 H new ATOM 546 N MET A 76 4.950 -5.422 1.910 1.00 0.00 N ATOM 547 CA MET A 76 5.393 -4.097 2.338 1.00 0.00 C ATOM 548 C MET A 76 6.113 -4.137 3.694 1.00 0.00 C ATOM 549 O MET A 76 7.153 -3.508 3.877 1.00 0.00 O ATOM 550 CB MET A 76 4.189 -3.160 2.410 1.00 0.00 C ATOM 551 CG MET A 76 3.840 -2.624 1.026 1.00 0.00 C ATOM 552 SD MET A 76 2.428 -1.496 1.016 1.00 0.00 S ATOM 553 CE MET A 76 1.090 -2.672 1.198 1.00 0.00 C ATOM 0 H MET A 76 3.974 -5.462 1.615 1.00 0.00 H new ATOM 0 HA MET A 76 6.110 -3.729 1.604 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.333 -3.691 2.826 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.407 -2.330 3.082 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.708 -2.108 0.617 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.627 -3.464 0.364 1.00 0.00 H new ATOM 0 HE1 MET A 76 0.250 -2.368 0.573 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.431 -3.661 0.891 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.773 -2.704 2.240 1.00 0.00 H new ATOM 554 N SER A 77 5.587 -4.900 4.651 1.00 0.00 N ATOM 555 CA SER A 77 6.176 -5.005 5.978 1.00 0.00 C ATOM 556 C SER A 77 7.557 -5.676 5.972 1.00 0.00 C ATOM 557 O SER A 77 8.173 -5.738 7.034 1.00 0.00 O ATOM 558 CB SER A 77 5.219 -5.775 6.891 1.00 0.00 C ATOM 559 OG SER A 77 5.545 -5.555 8.253 1.00 0.00 O ATOM 0 H SER A 77 4.743 -5.460 4.526 1.00 0.00 H new ATOM 0 HA SER A 77 6.328 -3.992 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.193 -5.459 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.271 -6.840 6.666 1.00 0.00 H new ATOM 0 HG SER A 77 6.519 -5.535 8.357 1.00 0.00 H new ATOM 560 N LYS A 78 8.013 -6.212 4.832 1.00 0.00 N ATOM 561 CA LYS A 78 9.307 -6.863 4.674 1.00 0.00 C ATOM 562 C LYS A 78 10.273 -5.985 3.857 1.00 0.00 C ATOM 563 O LYS A 78 11.352 -6.460 3.508 1.00 0.00 O ATOM 564 CB LYS A 78 9.093 -8.238 4.018 1.00 0.00 C ATOM 565 CG LYS A 78 8.281 -9.177 4.926 1.00 0.00 C ATOM 566 CD LYS A 78 7.640 -10.337 4.152 1.00 0.00 C ATOM 567 CE LYS A 78 8.668 -11.226 3.447 1.00 0.00 C ATOM 568 NZ LYS A 78 8.004 -12.349 2.761 1.00 0.00 N ATOM 0 H LYS A 78 7.468 -6.201 3.970 1.00 0.00 H new ATOM 0 HA LYS A 78 9.768 -7.005 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.575 -8.112 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.059 -8.691 3.796 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.932 -9.579 5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.501 -8.605 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.053 -10.945 4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.948 -9.935 3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.232 -10.635 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.384 -11.610 4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.719 -12.939 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.485 -12.923 3.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.339 -11.979 2.052 1.00 0.00 H new ATOM 569 N LEU A 79 9.891 -4.746 3.511 1.00 0.00 N ATOM 570 CA LEU A 79 10.773 -3.824 2.791 1.00 0.00 C ATOM 571 C LEU A 79 11.974 -3.477 3.673 1.00 0.00 C ATOM 572 O LEU A 79 13.062 -3.257 3.098 1.00 0.00 O ATOM 573 CB LEU A 79 10.029 -2.518 2.467 1.00 0.00 C ATOM 574 CG LEU A 79 9.244 -2.434 1.149 1.00 0.00 C ATOM 575 CD1 LEU A 79 8.694 -3.773 0.707 1.00 0.00 C ATOM 576 CD2 LEU A 79 8.046 -1.489 1.272 1.00 0.00 C ATOM 577 OXT LEU A 79 11.769 -3.345 4.902 1.00 0.00 O ATOM 0 H LEU A 79 8.970 -4.361 3.721 1.00 0.00 H new ATOM 0 HA LEU A 79 11.097 -4.305 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.332 -2.321 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.760 -1.709 2.471 1.00 0.00 H new ATOM 0 HG LEU A 79 9.964 -2.069 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.149 -3.651 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.516 -4.474 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.020 -4.160 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.512 -1.452 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.375 -1.851 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.396 -0.490 1.530 1.00 0.00 H new TER 578 LEU A 79 HETATM 579 FE HEM A 80 0.337 3.834 -2.272 1.00 6.41 FE HETATM 580 CHA HEM A 80 0.164 5.014 0.871 1.00 5.52 C HETATM 581 CHB HEM A 80 -0.427 0.703 -1.067 1.00 7.91 C HETATM 582 CHC HEM A 80 0.069 2.694 -5.471 1.00 6.02 C HETATM 583 CHD HEM A 80 0.952 7.020 -3.442 1.00 10.53 C HETATM 584 NA HEM A 80 0.155 2.988 -0.465 1.00 6.22 N HETATM 585 C1A HEM A 80 0.167 3.649 0.731 1.00 6.23 C HETATM 586 C2A HEM A 80 0.174 2.735 1.832 1.00 8.27 C HETATM 587 C3A HEM A 80 -0.123 1.521 1.319 1.00 7.07 C HETATM 588 C4A HEM A 80 -0.137 1.682 -0.131 1.00 9.92 C HETATM 589 CMA HEM A 80 -0.346 0.258 2.102 1.00 7.00 C HETATM 590 CAA HEM A 80 0.512 3.112 3.251 1.00 7.29 C HETATM 591 CBA HEM A 80 -0.603 3.726 4.109 1.00 11.15 C HETATM 592 CGA HEM A 80 -0.456 5.233 4.286 1.00 22.27 C HETATM 593 O1A HEM A 80 0.654 5.672 4.576 1.00 18.65 O HETATM 594 O2A HEM A 80 -1.439 5.947 4.093 1.00 17.21 O HETATM 595 NB HEM A 80 -0.177 2.090 -3.098 1.00 4.54 N HETATM 596 C1B HEM A 80 -0.524 0.917 -2.447 1.00 10.91 C HETATM 597 C2B HEM A 80 -0.931 -0.075 -3.417 1.00 5.88 C HETATM 598 C3B HEM A 80 -0.556 0.405 -4.638 1.00 -0.05 C HETATM 599 C4B HEM A 80 -0.211 1.794 -4.446 1.00 4.49 C HETATM 600 CMB HEM A 80 -1.522 -1.420 -3.084 1.00 4.31 C HETATM 601 CAB HEM A 80 -0.416 -0.345 -5.948 1.00 6.35 C HETATM 602 CBB HEM A 80 -1.663 -1.001 -6.546 1.00 6.48 C HETATM 603 NC HEM A 80 0.573 4.666 -4.084 1.00 3.58 N HETATM 604 C1C HEM A 80 0.424 4.027 -5.300 1.00 4.45 C HETATM 605 C2C HEM A 80 0.735 4.926 -6.382 1.00 5.77 C HETATM 606 C3C HEM A 80 1.106 6.110 -5.822 1.00 8.44 C HETATM 607 C4C HEM A 80 0.884 5.984 -4.385 1.00 11.13 C HETATM 608 CMC HEM A 80 0.707 4.533 -7.838 1.00 8.62 C HETATM 609 CAC HEM A 80 1.662 7.324 -6.532 1.00 3.39 C HETATM 610 CBC HEM A 80 0.578 8.159 -7.220 1.00 10.94 C HETATM 611 ND HEM A 80 0.491 5.658 -1.456 1.00 4.28 N HETATM 612 C1D HEM A 80 0.762 6.865 -2.064 1.00 5.02 C HETATM 613 C2D HEM A 80 0.831 7.918 -1.050 1.00 3.97 C HETATM 614 C3D HEM A 80 0.579 7.331 0.158 1.00 5.11 C HETATM 615 C4D HEM A 80 0.373 5.943 -0.118 1.00 9.05 C HETATM 616 CMD HEM A 80 1.147 9.359 -1.337 1.00 5.28 C HETATM 617 CAD HEM A 80 0.517 7.903 1.572 1.00 9.04 C HETATM 618 CBD HEM A 80 -0.809 8.577 1.900 1.00 6.36 C HETATM 619 CGD HEM A 80 -0.782 10.051 1.562 1.00 6.46 C HETATM 620 O1D HEM A 80 -0.551 10.855 2.462 1.00 8.25 O HETATM 621 O2D HEM A 80 -1.061 10.377 0.414 1.00 15.15 O HETATM 0 HMA1 HEM A 80 -1.016 -0.400 1.548 1.00 7.00 H new HETATM 0 HMA2 HEM A 80 -0.792 0.502 3.066 1.00 7.00 H new HETATM 0 HMA3 HEM A 80 0.608 -0.245 2.260 1.00 7.00 H new HETATM 0 HMB1 HEM A 80 -2.197 -1.729 -3.882 1.00 4.31 H new HETATM 0 HMB2 HEM A 80 -2.075 -1.353 -2.147 1.00 4.31 H new HETATM 0 HMB3 HEM A 80 -0.722 -2.153 -2.981 1.00 4.31 H new HETATM 0 HMC1 HEM A 80 0.449 5.401 -8.444 1.00 8.62 H new HETATM 0 HMC2 HEM A 80 -0.037 3.751 -7.989 1.00 8.62 H new HETATM 0 HMC3 HEM A 80 1.689 4.163 -8.134 1.00 8.62 H new HETATM 0 HMD1 HEM A 80 1.802 9.422 -2.206 1.00 5.28 H new HETATM 0 HMD2 HEM A 80 1.646 9.801 -0.474 1.00 5.28 H new HETATM 0 HMD3 HEM A 80 0.223 9.901 -1.539 1.00 5.28 H new HETATM 0 HBB1 HEM A 80 -1.594 -1.547 -7.487 1.00 6.48 H new HETATM 0 HBB2 HEM A 80 -2.620 -0.922 -6.031 1.00 6.48 H new HETATM 0 HBC1 HEM A 80 0.850 9.062 -7.767 1.00 10.94 H new HETATM 0 HBC2 HEM A 80 -0.466 7.851 -7.163 1.00 10.94 H new HETATM 0 HBA1 HEM A 80 -0.604 3.249 5.089 1.00 11.15 H new HETATM 0 HBA2 HEM A 80 -1.568 3.512 3.649 1.00 11.15 H new HETATM 0 HAA1 HEM A 80 1.341 3.819 3.222 1.00 7.29 H new HETATM 0 HAA2 HEM A 80 0.873 2.218 3.759 1.00 7.29 H new HETATM 0 HBD1 HEM A 80 -1.030 8.450 2.960 1.00 6.36 H new HETATM 0 HBD2 HEM A 80 -1.612 8.091 1.346 1.00 6.36 H new HETATM 0 HAD1 HEM A 80 1.323 8.626 1.698 1.00 9.04 H new HETATM 0 HAD2 HEM A 80 0.694 7.100 2.288 1.00 9.04 H new HETATM 0 HHA HEM A 80 -0.022 5.398 1.863 1.00 5.52 H new HETATM 0 HHB HEM A 80 -0.591 -0.301 -0.705 1.00 7.91 H new HETATM 0 HHC HEM A 80 0.005 2.325 -6.484 1.00 6.02 H new HETATM 0 HHD HEM A 80 1.167 8.013 -3.807 1.00 10.53 H new HETATM 0 HAB HEM A 80 0.548 -0.415 -6.451 1.00 6.35 H new HETATM 0 HAC HEM A 80 2.722 7.578 -6.552 1.00 3.39 H new