USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 603 hydrogens (32 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 HECFE :(H bumps) USER MOD NoAdj-H: A 80 HEC HAC : A 80 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC HAB : A 80 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 80 HEC H2D : A 80 HEC O2D : A 80 HEC CGD :(short bond) USER MOD NoAdj-H: A 80 HEC H2A : A 80 HEC O2A : A 80 HEC CGA :(short bond) USER MOD Set 1.1: A 44 TYR OH : rot 103:sc= 0 USER MOD Set 1.2: A 57 MET CE :methyl 165:sc= -2.37 (180deg=-4.57!) USER MOD Set 2.1: A 38 TYR OH : rot 23:sc= 0.802 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -165:sc= 0.889 (180deg=0) USER MOD Set 3.1: A 41 MET CE :methyl -150:sc= -1.42 (180deg=-1.3) USER MOD Set 3.2: A 76 MET CE :methyl 154:sc= -1.05 (180deg=-1.18) USER MOD Set 4.1: A 40 LYS NZ :NH3+ 161:sc= 1.22 (180deg=0.799) USER MOD Set 4.2: A 49 TYR OH : rot 162:sc= 1.19 USER MOD Set 5.1: A 27 LYS NZ :NH3+ 138:sc= -0.409 (180deg=-1.24) USER MOD Set 5.2: A 32 GLN : amide:sc= 1.76 K(o=1.4,f=-0.57) USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.18 (180deg=0) USER MOD Single : A 7 TYR OH : rot -153:sc= 1.5 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= -0.0176 (180deg=-0.186) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00246 USER MOD Single : A 19 SER OG : rot -84:sc= 1.16 USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0.652 (180deg=0.652) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0856 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc=-0.00836 (180deg=-0.155) USER MOD Single : A 48 SER OG : rot -99:sc= 1.21 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 1.05 (180deg=1.04) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -68:sc= 1.14 USER MOD Single : A 59 ASN : amide:sc= 0.0146! X(o=0.015!,f=-0.041) USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0.822 (180deg=0.685) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0441) USER MOD Single : A 65 SER OG : rot 25:sc= 1 USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= -0.0643 (180deg=-0.314) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 47:sc= 1.38 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.609 -12.506 -9.432 1.00 0.00 N ATOM 2 CA ALA A 1 2.742 -13.189 -8.454 1.00 0.00 C ATOM 3 C ALA A 1 2.082 -12.152 -7.546 1.00 0.00 C ATOM 4 O ALA A 1 2.354 -10.962 -7.719 1.00 0.00 O ATOM 5 CB ALA A 1 3.541 -14.216 -7.643 1.00 0.00 C ATOM 0 H1 ALA A 1 3.262 -12.694 -10.394 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.595 -11.482 -9.253 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.583 -12.860 -9.340 1.00 0.00 H new ATOM 0 HA ALA A 1 1.961 -13.733 -8.985 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.881 -14.708 -6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.966 -14.961 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.345 -13.711 -7.107 1.00 0.00 H new ATOM 13 N ASP A 2 1.223 -12.594 -6.622 1.00 0.00 N ATOM 14 CA ASP A 2 0.525 -11.735 -5.672 1.00 0.00 C ATOM 15 C ASP A 2 1.516 -10.821 -4.949 1.00 0.00 C ATOM 16 O ASP A 2 2.655 -11.211 -4.696 1.00 0.00 O ATOM 17 CB ASP A 2 -0.242 -12.587 -4.651 1.00 0.00 C ATOM 18 CG ASP A 2 -1.291 -13.484 -5.298 1.00 0.00 C ATOM 19 OD1 ASP A 2 -0.865 -14.404 -6.032 1.00 0.00 O ATOM 20 OD2 ASP A 2 -2.490 -13.230 -5.055 1.00 0.00 O ATOM 0 H ASP A 2 0.991 -13.582 -6.515 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.184 -11.117 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.465 -13.204 -4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.728 -11.931 -3.929 1.00 0.00 H new ATOM 25 N GLY A 3 1.088 -9.596 -4.642 1.00 0.00 N ATOM 26 CA GLY A 3 1.898 -8.584 -3.987 1.00 0.00 C ATOM 27 C GLY A 3 2.894 -7.980 -4.974 1.00 0.00 C ATOM 28 O GLY A 3 2.816 -6.804 -5.321 1.00 0.00 O ATOM 0 H GLY A 3 0.142 -9.278 -4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.256 -7.801 -3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.432 -9.025 -3.145 1.00 0.00 H new ATOM 32 N ALA A 4 3.807 -8.813 -5.465 1.00 0.00 N ATOM 33 CA ALA A 4 4.857 -8.408 -6.386 1.00 0.00 C ATOM 34 C ALA A 4 4.284 -7.702 -7.614 1.00 0.00 C ATOM 35 O ALA A 4 4.738 -6.619 -7.974 1.00 0.00 O ATOM 36 CB ALA A 4 5.699 -9.625 -6.778 1.00 0.00 C ATOM 0 H ALA A 4 3.836 -9.805 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 4 5.502 -7.687 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.484 -9.317 -7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.150 -10.058 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.063 -10.367 -7.260 1.00 0.00 H new ATOM 42 N ALA A 5 3.283 -8.311 -8.257 1.00 0.00 N ATOM 43 CA ALA A 5 2.651 -7.733 -9.435 1.00 0.00 C ATOM 44 C ALA A 5 2.054 -6.357 -9.120 1.00 0.00 C ATOM 45 O ALA A 5 2.279 -5.397 -9.850 1.00 0.00 O ATOM 46 CB ALA A 5 1.580 -8.690 -9.967 1.00 0.00 C ATOM 0 H ALA A 5 2.894 -9.211 -7.975 1.00 0.00 H new ATOM 0 HA ALA A 5 3.408 -7.590 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.109 -8.255 -10.848 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.042 -9.641 -10.234 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.826 -8.857 -9.197 1.00 0.00 H new ATOM 52 N LEU A 6 1.299 -6.268 -8.024 1.00 0.00 N ATOM 53 CA LEU A 6 0.636 -5.049 -7.593 1.00 0.00 C ATOM 54 C LEU A 6 1.653 -3.933 -7.354 1.00 0.00 C ATOM 55 O LEU A 6 1.453 -2.790 -7.764 1.00 0.00 O ATOM 56 CB LEU A 6 -0.143 -5.320 -6.301 1.00 0.00 C ATOM 57 CG LEU A 6 -1.437 -6.113 -6.523 1.00 0.00 C ATOM 58 CD1 LEU A 6 -1.232 -7.547 -7.026 1.00 0.00 C ATOM 59 CD2 LEU A 6 -2.198 -6.154 -5.197 1.00 0.00 C ATOM 0 H LEU A 6 1.132 -7.060 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.049 -4.730 -8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.496 -5.868 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.385 -4.369 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.990 -5.601 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.201 -8.030 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.708 -7.526 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.641 -8.106 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.125 -6.713 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.583 -6.640 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.429 -5.137 -4.879 1.00 0.00 H new ATOM 71 N TYR A 7 2.747 -4.272 -6.671 1.00 0.00 N ATOM 72 CA TYR A 7 3.742 -3.299 -6.265 1.00 0.00 C ATOM 73 C TYR A 7 4.376 -2.521 -7.426 1.00 0.00 C ATOM 74 O TYR A 7 4.778 -1.377 -7.228 1.00 0.00 O ATOM 75 CB TYR A 7 4.792 -3.971 -5.371 1.00 0.00 C ATOM 76 CG TYR A 7 5.620 -2.993 -4.559 1.00 0.00 C ATOM 77 CD1 TYR A 7 4.983 -2.119 -3.658 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.017 -2.933 -4.713 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.725 -1.141 -2.977 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.764 -1.984 -3.993 1.00 0.00 C ATOM 81 CZ TYR A 7 7.118 -1.092 -3.120 1.00 0.00 C ATOM 82 OH TYR A 7 7.829 -0.203 -2.375 1.00 0.00 O ATOM 0 H TYR A 7 2.961 -5.228 -6.388 1.00 0.00 H new ATOM 0 HA TYR A 7 3.220 -2.535 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.290 -4.660 -4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.458 -4.567 -5.994 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.919 -2.201 -3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.516 -3.616 -5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.222 -0.426 -2.343 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.837 -1.940 -4.111 1.00 0.00 H new ATOM 0 HH TYR A 7 8.656 0.031 -2.846 1.00 0.00 H new ATOM 92 N LYS A 8 4.450 -3.088 -8.636 1.00 0.00 N ATOM 93 CA LYS A 8 5.057 -2.476 -9.793 1.00 0.00 C ATOM 94 C LYS A 8 4.657 -1.005 -9.968 1.00 0.00 C ATOM 95 O LYS A 8 5.516 -0.132 -10.051 1.00 0.00 O ATOM 96 CB LYS A 8 4.646 -3.333 -10.989 1.00 0.00 C ATOM 97 CG LYS A 8 5.187 -4.773 -10.988 1.00 0.00 C ATOM 98 CD LYS A 8 6.720 -4.843 -11.058 1.00 0.00 C ATOM 99 CE LYS A 8 7.213 -6.295 -11.098 1.00 0.00 C ATOM 100 NZ LYS A 8 6.780 -6.996 -12.319 1.00 0.00 N ATOM 0 H LYS A 8 4.073 -4.016 -8.829 1.00 0.00 H new ATOM 0 HA LYS A 8 6.141 -2.446 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.557 -3.372 -11.029 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.981 -2.838 -11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.847 -5.281 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.766 -5.313 -11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.070 -4.314 -11.945 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.149 -4.335 -10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.301 -6.309 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.840 -6.828 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.296 -7.895 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.759 -7.186 -12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.979 -6.402 -13.149 1.00 0.00 H new ATOM 114 N SER A 9 3.356 -0.720 -10.010 1.00 0.00 N ATOM 115 CA SER A 9 2.847 0.639 -10.137 1.00 0.00 C ATOM 116 C SER A 9 3.167 1.476 -8.893 1.00 0.00 C ATOM 117 O SER A 9 3.533 2.648 -8.969 1.00 0.00 O ATOM 118 CB SER A 9 1.327 0.538 -10.305 1.00 0.00 C ATOM 119 OG SER A 9 1.026 -0.383 -11.336 1.00 0.00 O ATOM 0 H SER A 9 2.625 -1.430 -9.956 1.00 0.00 H new ATOM 0 HA SER A 9 3.316 1.129 -10.990 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.868 0.216 -9.370 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.911 1.517 -10.544 1.00 0.00 H new ATOM 0 HG SER A 9 0.054 -0.449 -11.442 1.00 0.00 H new ATOM 125 N CYS A 10 3.008 0.834 -7.740 1.00 0.00 N ATOM 126 CA CYS A 10 3.110 1.372 -6.395 1.00 0.00 C ATOM 127 C CYS A 10 4.485 1.988 -6.162 1.00 0.00 C ATOM 128 O CYS A 10 4.611 3.049 -5.542 1.00 0.00 O ATOM 129 CB CYS A 10 2.839 0.190 -5.470 1.00 0.00 C ATOM 130 SG CYS A 10 2.025 0.454 -3.918 1.00 0.00 S ATOM 0 H CYS A 10 2.785 -0.161 -7.726 1.00 0.00 H new ATOM 0 HA CYS A 10 2.399 2.178 -6.214 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.244 -0.532 -6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.798 -0.283 -5.258 1.00 0.00 H new ATOM 135 N ILE A 11 5.514 1.330 -6.713 1.00 0.00 N ATOM 136 CA ILE A 11 6.891 1.803 -6.675 1.00 0.00 C ATOM 137 C ILE A 11 6.955 3.274 -7.087 1.00 0.00 C ATOM 138 O ILE A 11 7.746 4.027 -6.525 1.00 0.00 O ATOM 139 CB ILE A 11 7.795 0.938 -7.578 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.022 -0.434 -6.925 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.157 1.597 -7.856 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.624 -1.468 -7.882 1.00 0.00 C ATOM 0 H ILE A 11 5.404 0.442 -7.203 1.00 0.00 H new ATOM 0 HA ILE A 11 7.260 1.714 -5.653 1.00 0.00 H new ATOM 0 HB ILE A 11 7.280 0.828 -8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.683 -0.315 -6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.072 -0.810 -6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.753 0.946 -8.496 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.003 2.554 -8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.682 1.759 -6.914 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.759 -2.414 -7.358 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.953 -1.614 -8.728 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.589 -1.112 -8.242 1.00 0.00 H new ATOM 154 N GLY A 12 6.119 3.694 -8.043 1.00 0.00 N ATOM 155 CA GLY A 12 6.084 5.068 -8.510 1.00 0.00 C ATOM 156 C GLY A 12 5.986 6.084 -7.369 1.00 0.00 C ATOM 157 O GLY A 12 6.576 7.159 -7.466 1.00 0.00 O ATOM 0 H GLY A 12 5.449 3.083 -8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.982 5.271 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.233 5.197 -9.179 1.00 0.00 H new ATOM 161 N CYS A 13 5.258 5.757 -6.292 1.00 0.00 N ATOM 162 CA CYS A 13 5.052 6.685 -5.182 1.00 0.00 C ATOM 163 C CYS A 13 5.804 6.260 -3.923 1.00 0.00 C ATOM 164 O CYS A 13 6.180 7.110 -3.122 1.00 0.00 O ATOM 165 CB CYS A 13 3.559 6.797 -4.898 1.00 0.00 C ATOM 166 SG CYS A 13 3.056 8.331 -4.086 1.00 0.00 S ATOM 0 H CYS A 13 4.802 4.853 -6.170 1.00 0.00 H new ATOM 0 HA CYS A 13 5.452 7.656 -5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.016 6.705 -5.839 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.258 5.956 -4.273 1.00 0.00 H new ATOM 171 N HIS A 14 6.017 4.953 -3.738 1.00 0.00 N ATOM 172 CA HIS A 14 6.657 4.393 -2.558 1.00 0.00 C ATOM 173 C HIS A 14 8.162 4.153 -2.716 1.00 0.00 C ATOM 174 O HIS A 14 8.911 4.238 -1.741 1.00 0.00 O ATOM 175 CB HIS A 14 5.916 3.097 -2.239 1.00 0.00 C ATOM 176 CG HIS A 14 4.646 3.368 -1.480 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.666 3.780 -0.161 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.329 3.446 -1.863 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.404 4.069 0.183 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.518 3.803 -0.779 1.00 0.00 N ATOM 0 H HIS A 14 5.742 4.247 -4.421 1.00 0.00 H new ATOM 0 HA HIS A 14 6.591 5.112 -1.741 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.684 2.571 -3.165 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.560 2.442 -1.653 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.488 3.851 0.439 1.00 0.00 H new ATOM 0 HD2 HIS A 14 2.969 3.258 -2.863 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.130 4.477 1.145 1.00 0.00 H new ATOM 188 N GLY A 15 8.619 3.874 -3.935 1.00 0.00 N ATOM 189 CA GLY A 15 10.006 3.557 -4.244 1.00 0.00 C ATOM 190 C GLY A 15 10.237 2.054 -4.135 1.00 0.00 C ATOM 191 O GLY A 15 9.293 1.285 -3.969 1.00 0.00 O ATOM 0 H GLY A 15 8.015 3.863 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.250 3.898 -5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.669 4.085 -3.559 1.00 0.00 H new ATOM 195 N ALA A 16 11.494 1.615 -4.236 1.00 0.00 N ATOM 196 CA ALA A 16 11.817 0.200 -4.126 1.00 0.00 C ATOM 197 C ALA A 16 11.516 -0.274 -2.703 1.00 0.00 C ATOM 198 O ALA A 16 10.483 -0.890 -2.452 1.00 0.00 O ATOM 199 CB ALA A 16 13.276 -0.040 -4.532 1.00 0.00 C ATOM 0 H ALA A 16 12.299 2.221 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 16 11.201 -0.385 -4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.508 -1.102 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.424 0.282 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.935 0.529 -3.876 1.00 0.00 H new ATOM 205 N ASP A 17 12.378 0.081 -1.751 1.00 0.00 N ATOM 206 CA ASP A 17 12.270 -0.275 -0.342 1.00 0.00 C ATOM 207 C ASP A 17 11.332 0.698 0.372 1.00 0.00 C ATOM 208 O ASP A 17 11.714 1.331 1.351 1.00 0.00 O ATOM 209 CB ASP A 17 13.668 -0.318 0.294 1.00 0.00 C ATOM 210 CG ASP A 17 14.426 1.007 0.225 1.00 0.00 C ATOM 211 OD1 ASP A 17 14.498 1.564 -0.895 1.00 0.00 O ATOM 212 OD2 ASP A 17 14.933 1.435 1.284 1.00 0.00 O ATOM 0 H ASP A 17 13.203 0.647 -1.951 1.00 0.00 H new ATOM 0 HA ASP A 17 11.838 -1.271 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.571 -0.615 1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.258 -1.088 -0.203 1.00 0.00 H new ATOM 217 N GLY A 18 10.132 0.848 -0.189 1.00 0.00 N ATOM 218 CA GLY A 18 9.000 1.670 0.242 1.00 0.00 C ATOM 219 C GLY A 18 9.310 2.843 1.184 1.00 0.00 C ATOM 220 O GLY A 18 8.636 2.989 2.208 1.00 0.00 O ATOM 0 H GLY A 18 9.905 0.344 -1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.513 2.069 -0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.278 1.020 0.736 1.00 0.00 H new ATOM 224 N SER A 19 10.275 3.703 0.836 1.00 0.00 N ATOM 225 CA SER A 19 10.767 4.768 1.692 1.00 0.00 C ATOM 226 C SER A 19 10.677 6.185 1.122 1.00 0.00 C ATOM 227 O SER A 19 10.819 7.124 1.904 1.00 0.00 O ATOM 228 CB SER A 19 12.228 4.443 2.012 1.00 0.00 C ATOM 229 OG SER A 19 12.846 3.781 0.925 1.00 0.00 O ATOM 0 H SER A 19 10.740 3.670 -0.071 1.00 0.00 H new ATOM 0 HA SER A 19 10.119 4.791 2.568 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.768 5.362 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.279 3.816 2.902 1.00 0.00 H new ATOM 0 HG SER A 19 12.646 2.823 0.969 1.00 0.00 H new ATOM 235 N LYS A 20 10.497 6.392 -0.189 1.00 0.00 N ATOM 236 CA LYS A 20 10.475 7.775 -0.673 1.00 0.00 C ATOM 237 C LYS A 20 9.221 8.497 -0.179 1.00 0.00 C ATOM 238 O LYS A 20 8.183 7.874 0.044 1.00 0.00 O ATOM 239 CB LYS A 20 10.633 7.896 -2.199 1.00 0.00 C ATOM 240 CG LYS A 20 9.603 7.078 -2.977 1.00 0.00 C ATOM 241 CD LYS A 20 9.447 7.486 -4.449 1.00 0.00 C ATOM 242 CE LYS A 20 8.712 8.823 -4.608 1.00 0.00 C ATOM 243 NZ LYS A 20 8.322 9.054 -6.011 1.00 0.00 N ATOM 0 H LYS A 20 10.372 5.667 -0.896 1.00 0.00 H new ATOM 0 HA LYS A 20 11.352 8.266 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.546 8.944 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.634 7.571 -2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.884 6.026 -2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.636 7.170 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.432 7.558 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.901 6.708 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.824 8.830 -3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.353 9.636 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.812 9.957 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.174 9.087 -6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.705 8.281 -6.332 1.00 0.00 H new ATOM 257 N ALA A 21 9.324 9.816 0.005 1.00 0.00 N ATOM 258 CA ALA A 21 8.179 10.629 0.376 1.00 0.00 C ATOM 259 C ALA A 21 7.153 10.503 -0.750 1.00 0.00 C ATOM 260 O ALA A 21 7.501 10.662 -1.920 1.00 0.00 O ATOM 261 CB ALA A 21 8.608 12.085 0.571 1.00 0.00 C ATOM 0 H ALA A 21 10.194 10.338 -0.099 1.00 0.00 H new ATOM 0 HA ALA A 21 7.746 10.292 1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.742 12.685 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.357 12.141 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.031 12.467 -0.358 1.00 0.00 H new ATOM 267 N ALA A 22 5.913 10.171 -0.393 1.00 0.00 N ATOM 268 CA ALA A 22 4.829 10.009 -1.344 1.00 0.00 C ATOM 269 C ALA A 22 4.243 11.394 -1.643 1.00 0.00 C ATOM 270 O ALA A 22 4.995 12.350 -1.834 1.00 0.00 O ATOM 271 CB ALA A 22 3.837 9.003 -0.752 1.00 0.00 C ATOM 0 H ALA A 22 5.636 10.007 0.575 1.00 0.00 H new ATOM 0 HA ALA A 22 5.149 9.603 -2.304 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.008 8.859 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.340 8.051 -0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.456 9.383 0.196 1.00 0.00 H new ATOM 277 N MET A 23 2.915 11.539 -1.679 1.00 0.00 N ATOM 278 CA MET A 23 2.276 12.837 -1.875 1.00 0.00 C ATOM 279 C MET A 23 2.403 13.647 -0.577 1.00 0.00 C ATOM 280 O MET A 23 1.420 13.876 0.125 1.00 0.00 O ATOM 281 CB MET A 23 0.813 12.635 -2.292 1.00 0.00 C ATOM 282 CG MET A 23 0.703 12.098 -3.723 1.00 0.00 C ATOM 283 SD MET A 23 -0.973 11.622 -4.225 1.00 0.00 S ATOM 284 CE MET A 23 -1.690 13.248 -4.552 1.00 0.00 C ATOM 0 H MET A 23 2.260 10.764 -1.574 1.00 0.00 H new ATOM 0 HA MET A 23 2.765 13.394 -2.674 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.331 11.941 -1.604 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.278 13.582 -2.216 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.072 12.858 -4.411 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.358 11.232 -3.823 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.725 13.131 -4.873 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.657 13.849 -3.644 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.121 13.745 -5.337 1.00 0.00 H new ATOM 294 N GLY A 24 3.622 14.083 -0.261 1.00 0.00 N ATOM 295 CA GLY A 24 3.945 14.786 0.968 1.00 0.00 C ATOM 296 C GLY A 24 4.289 13.781 2.068 1.00 0.00 C ATOM 297 O GLY A 24 4.404 12.580 1.817 1.00 0.00 O ATOM 0 H GLY A 24 4.428 13.951 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.786 15.459 0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.101 15.402 1.277 1.00 0.00 H new ATOM 301 N SER A 25 4.461 14.280 3.294 1.00 0.00 N ATOM 302 CA SER A 25 4.806 13.509 4.476 1.00 0.00 C ATOM 303 C SER A 25 3.911 12.276 4.633 1.00 0.00 C ATOM 304 O SER A 25 2.699 12.417 4.800 1.00 0.00 O ATOM 305 CB SER A 25 4.674 14.443 5.683 1.00 0.00 C ATOM 306 OG SER A 25 5.206 15.712 5.337 1.00 0.00 O ATOM 0 H SER A 25 4.358 15.275 3.492 1.00 0.00 H new ATOM 0 HA SER A 25 5.825 13.132 4.390 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.628 14.539 5.974 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.207 14.031 6.540 1.00 0.00 H new ATOM 0 HG SER A 25 5.126 16.320 6.101 1.00 0.00 H new ATOM 312 N ALA A 26 4.499 11.080 4.581 1.00 0.00 N ATOM 313 CA ALA A 26 3.791 9.816 4.704 1.00 0.00 C ATOM 314 C ALA A 26 4.661 8.854 5.504 1.00 0.00 C ATOM 315 O ALA A 26 5.880 8.868 5.338 1.00 0.00 O ATOM 316 CB ALA A 26 3.541 9.260 3.301 1.00 0.00 C ATOM 0 H ALA A 26 5.504 10.966 4.449 1.00 0.00 H new ATOM 0 HA ALA A 26 2.836 9.950 5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.010 8.311 3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.940 9.968 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.494 9.104 2.796 1.00 0.00 H new ATOM 322 N LYS A 27 4.059 8.042 6.378 1.00 0.00 N ATOM 323 CA LYS A 27 4.756 7.026 7.135 1.00 0.00 C ATOM 324 C LYS A 27 5.397 6.068 6.126 1.00 0.00 C ATOM 325 O LYS A 27 4.667 5.489 5.320 1.00 0.00 O ATOM 326 CB LYS A 27 3.725 6.276 7.996 1.00 0.00 C ATOM 327 CG LYS A 27 3.929 6.440 9.504 1.00 0.00 C ATOM 328 CD LYS A 27 5.234 5.870 10.089 1.00 0.00 C ATOM 329 CE LYS A 27 5.217 4.359 10.362 1.00 0.00 C ATOM 330 NZ LYS A 27 5.179 3.549 9.134 1.00 0.00 N ATOM 0 H LYS A 27 3.059 8.081 6.574 1.00 0.00 H new ATOM 0 HA LYS A 27 5.521 7.454 7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.727 6.627 7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.765 5.215 7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.886 7.503 9.740 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.091 5.966 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.050 6.090 9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.454 6.390 11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.102 4.091 10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.350 4.117 10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.825 2.740 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.211 3.202 8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.474 4.132 8.325 1.00 0.00 H new ATOM 344 N PRO A 28 6.729 5.898 6.119 1.00 0.00 N ATOM 345 CA PRO A 28 7.368 4.980 5.197 1.00 0.00 C ATOM 346 C PRO A 28 6.754 3.587 5.290 1.00 0.00 C ATOM 347 O PRO A 28 6.425 3.117 6.380 1.00 0.00 O ATOM 348 CB PRO A 28 8.846 4.966 5.596 1.00 0.00 C ATOM 349 CG PRO A 28 9.052 6.367 6.167 1.00 0.00 C ATOM 350 CD PRO A 28 7.729 6.622 6.889 1.00 0.00 C ATOM 0 HA PRO A 28 7.236 5.293 4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.059 4.193 6.334 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.495 4.778 4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.902 6.408 6.849 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.236 7.102 5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.767 6.266 7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.501 7.687 6.928 1.00 0.00 H new ATOM 358 N VAL A 29 6.590 2.934 4.141 1.00 0.00 N ATOM 359 CA VAL A 29 6.064 1.581 4.068 1.00 0.00 C ATOM 360 C VAL A 29 7.166 0.597 4.448 1.00 0.00 C ATOM 361 O VAL A 29 6.858 -0.477 4.965 1.00 0.00 O ATOM 362 CB VAL A 29 5.478 1.340 2.670 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.355 -0.142 2.312 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.077 1.958 2.621 1.00 0.00 C ATOM 0 H VAL A 29 6.821 3.335 3.232 1.00 0.00 H new ATOM 0 HA VAL A 29 5.250 1.432 4.777 1.00 0.00 H new ATOM 0 HB VAL A 29 6.161 1.795 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.934 -0.241 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.341 -0.606 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.702 -0.637 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.643 1.797 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.446 1.489 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.144 3.028 2.818 1.00 0.00 H new ATOM 374 N LYS A 30 8.424 0.983 4.192 1.00 0.00 N ATOM 375 CA LYS A 30 9.617 0.204 4.469 1.00 0.00 C ATOM 376 C LYS A 30 9.466 -0.606 5.759 1.00 0.00 C ATOM 377 O LYS A 30 9.495 -0.060 6.861 1.00 0.00 O ATOM 378 CB LYS A 30 10.853 1.111 4.509 1.00 0.00 C ATOM 379 CG LYS A 30 12.124 0.249 4.431 1.00 0.00 C ATOM 380 CD LYS A 30 13.404 1.071 4.251 1.00 0.00 C ATOM 381 CE LYS A 30 13.699 1.971 5.454 1.00 0.00 C ATOM 382 NZ LYS A 30 14.989 2.660 5.286 1.00 0.00 N ATOM 0 H LYS A 30 8.636 1.886 3.768 1.00 0.00 H new ATOM 0 HA LYS A 30 9.754 -0.512 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.827 1.816 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.856 1.700 5.426 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.207 -0.346 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.030 -0.450 3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.245 0.397 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.314 1.686 3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.902 2.705 5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.716 1.374 6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.170 3.265 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.750 1.956 5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.960 3.246 4.428 1.00 0.00 H new ATOM 396 N GLY A 31 9.265 -1.905 5.583 1.00 0.00 N ATOM 397 CA GLY A 31 9.101 -2.905 6.602 1.00 0.00 C ATOM 398 C GLY A 31 8.138 -2.527 7.726 1.00 0.00 C ATOM 399 O GLY A 31 8.485 -2.749 8.887 1.00 0.00 O ATOM 0 H GLY A 31 9.210 -2.307 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.748 -3.824 6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.076 -3.123 7.037 1.00 0.00 H new ATOM 403 N GLN A 32 6.946 -1.966 7.440 1.00 0.00 N ATOM 404 CA GLN A 32 5.991 -1.814 8.554 1.00 0.00 C ATOM 405 C GLN A 32 5.539 -3.214 8.990 1.00 0.00 C ATOM 406 O GLN A 32 6.043 -4.240 8.534 1.00 0.00 O ATOM 407 CB GLN A 32 4.735 -0.935 8.334 1.00 0.00 C ATOM 408 CG GLN A 32 4.805 0.105 7.243 1.00 0.00 C ATOM 409 CD GLN A 32 3.584 1.037 7.193 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.475 0.614 7.506 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.767 2.297 6.786 1.00 0.00 N ATOM 0 H GLN A 32 6.638 -1.635 6.526 1.00 0.00 H new ATOM 0 HA GLN A 32 6.554 -1.263 9.308 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.894 -1.595 8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.510 -0.427 9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.703 0.706 7.384 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.906 -0.398 6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.700 2.621 6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.973 2.935 6.729 1.00 0.00 H new ATOM 420 N GLY A 33 4.518 -3.260 9.836 1.00 0.00 N ATOM 421 CA GLY A 33 4.001 -4.540 10.309 1.00 0.00 C ATOM 422 C GLY A 33 2.930 -5.070 9.381 1.00 0.00 C ATOM 423 O GLY A 33 1.932 -4.397 9.152 1.00 0.00 O ATOM 0 H GLY A 33 4.037 -2.440 10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.815 -5.261 10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.592 -4.422 11.312 1.00 0.00 H new ATOM 427 N ALA A 34 3.111 -6.289 8.886 1.00 0.00 N ATOM 428 CA ALA A 34 2.159 -7.003 8.055 1.00 0.00 C ATOM 429 C ALA A 34 0.707 -6.811 8.498 1.00 0.00 C ATOM 430 O ALA A 34 -0.146 -6.553 7.661 1.00 0.00 O ATOM 431 CB ALA A 34 2.535 -8.475 8.112 1.00 0.00 C ATOM 0 H ALA A 34 3.961 -6.825 9.062 1.00 0.00 H new ATOM 0 HA ALA A 34 2.211 -6.607 7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.842 -9.051 7.499 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.549 -8.606 7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.483 -8.824 9.143 1.00 0.00 H new ATOM 437 N GLU A 35 0.409 -6.928 9.795 1.00 0.00 N ATOM 438 CA GLU A 35 -0.954 -6.754 10.286 1.00 0.00 C ATOM 439 C GLU A 35 -1.438 -5.313 10.076 1.00 0.00 C ATOM 440 O GLU A 35 -2.555 -5.095 9.607 1.00 0.00 O ATOM 441 CB GLU A 35 -1.034 -7.183 11.759 1.00 0.00 C ATOM 442 CG GLU A 35 -2.469 -7.144 12.311 1.00 0.00 C ATOM 443 CD GLU A 35 -3.430 -8.032 11.521 1.00 0.00 C ATOM 444 OE1 GLU A 35 -3.111 -9.232 11.385 1.00 0.00 O ATOM 445 OE2 GLU A 35 -4.461 -7.493 11.063 1.00 0.00 O ATOM 0 H GLU A 35 1.094 -7.142 10.520 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.624 -7.393 9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.637 -8.193 11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.400 -6.529 12.359 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.461 -7.462 13.354 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.833 -6.117 12.293 1.00 0.00 H new ATOM 452 N GLU A 36 -0.598 -4.332 10.431 1.00 0.00 N ATOM 453 CA GLU A 36 -0.897 -2.919 10.272 1.00 0.00 C ATOM 454 C GLU A 36 -1.186 -2.677 8.793 1.00 0.00 C ATOM 455 O GLU A 36 -2.235 -2.148 8.430 1.00 0.00 O ATOM 456 CB GLU A 36 0.306 -2.101 10.786 1.00 0.00 C ATOM 457 CG GLU A 36 0.314 -0.658 10.272 1.00 0.00 C ATOM 458 CD GLU A 36 1.499 0.151 10.794 1.00 0.00 C ATOM 459 OE1 GLU A 36 2.578 -0.459 10.969 1.00 0.00 O ATOM 460 OE2 GLU A 36 1.302 1.367 11.005 1.00 0.00 O ATOM 0 H GLU A 36 0.319 -4.509 10.842 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.769 -2.608 10.848 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.293 -2.092 11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.230 -2.594 10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.337 -0.666 9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.613 -0.167 10.567 1.00 0.00 H new ATOM 467 N LEU A 37 -0.236 -3.085 7.951 1.00 0.00 N ATOM 468 CA LEU A 37 -0.287 -2.990 6.527 1.00 0.00 C ATOM 469 C LEU A 37 -1.600 -3.602 6.037 1.00 0.00 C ATOM 470 O LEU A 37 -2.413 -2.864 5.510 1.00 0.00 O ATOM 471 CB LEU A 37 0.973 -3.702 6.018 1.00 0.00 C ATOM 472 CG LEU A 37 2.224 -2.809 5.948 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.477 -3.674 5.784 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.162 -1.813 4.788 1.00 0.00 C ATOM 0 H LEU A 37 0.629 -3.511 8.282 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.285 -1.968 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.184 -4.551 6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.772 -4.104 5.025 1.00 0.00 H new ATOM 0 HG LEU A 37 2.264 -2.246 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.358 -3.033 5.735 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.566 -4.350 6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.400 -4.255 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.067 -1.206 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.082 -2.356 3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.293 -1.167 4.909 1.00 0.00 H new ATOM 486 N TYR A 38 -1.830 -4.907 6.206 1.00 0.00 N ATOM 487 CA TYR A 38 -3.035 -5.634 5.792 1.00 0.00 C ATOM 488 C TYR A 38 -4.293 -4.801 5.971 1.00 0.00 C ATOM 489 O TYR A 38 -5.031 -4.519 5.026 1.00 0.00 O ATOM 490 CB TYR A 38 -3.163 -6.895 6.654 1.00 0.00 C ATOM 491 CG TYR A 38 -4.345 -7.813 6.385 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.938 -7.910 5.109 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.868 -8.571 7.451 1.00 0.00 C ATOM 494 CE1 TYR A 38 -6.074 -8.717 4.920 1.00 0.00 C ATOM 495 CE2 TYR A 38 -5.985 -9.398 7.253 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.593 -9.465 5.989 1.00 0.00 C ATOM 497 OH TYR A 38 -7.696 -10.242 5.802 1.00 0.00 O ATOM 0 H TYR A 38 -1.148 -5.516 6.658 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.936 -5.877 4.734 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.250 -7.478 6.534 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.209 -6.585 7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.519 -7.364 4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.407 -8.516 8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.548 -8.762 3.951 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.377 -9.982 8.072 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.787 -10.457 4.850 1.00 0.00 H new ATOM 507 N LYS A 39 -4.519 -4.442 7.228 1.00 0.00 N ATOM 508 CA LYS A 39 -5.640 -3.633 7.643 1.00 0.00 C ATOM 509 C LYS A 39 -5.670 -2.352 6.804 1.00 0.00 C ATOM 510 O LYS A 39 -6.681 -2.027 6.186 1.00 0.00 O ATOM 511 CB LYS A 39 -5.482 -3.370 9.151 1.00 0.00 C ATOM 512 CG LYS A 39 -6.791 -3.083 9.889 1.00 0.00 C ATOM 513 CD LYS A 39 -7.496 -1.884 9.258 1.00 0.00 C ATOM 514 CE LYS A 39 -8.640 -1.345 10.125 1.00 0.00 C ATOM 515 NZ LYS A 39 -8.149 -0.736 11.374 1.00 0.00 N ATOM 0 H LYS A 39 -3.910 -4.715 7.999 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.597 -4.130 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.004 -4.236 9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.809 -2.524 9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.439 -3.958 9.850 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.588 -2.883 10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.770 -1.089 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.889 -2.171 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.206 -0.605 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.327 -2.157 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.911 -0.181 11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.845 -1.484 12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.344 -0.112 11.163 1.00 0.00 H new ATOM 529 N LYS A 40 -4.556 -1.627 6.768 1.00 0.00 N ATOM 530 CA LYS A 40 -4.445 -0.385 6.027 1.00 0.00 C ATOM 531 C LYS A 40 -4.678 -0.551 4.515 1.00 0.00 C ATOM 532 O LYS A 40 -5.501 0.183 3.978 1.00 0.00 O ATOM 533 CB LYS A 40 -3.137 0.306 6.417 1.00 0.00 C ATOM 534 CG LYS A 40 -3.305 0.858 7.846 1.00 0.00 C ATOM 535 CD LYS A 40 -2.096 1.683 8.278 1.00 0.00 C ATOM 536 CE LYS A 40 -2.233 2.194 9.715 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.050 2.983 10.104 1.00 0.00 N ATOM 0 H LYS A 40 -3.701 -1.891 7.258 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.260 0.281 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.306 -0.398 6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.908 1.112 5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.203 1.475 7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.448 0.031 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.194 1.076 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.975 2.530 7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.130 2.807 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.354 1.351 10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.283 3.577 10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.270 2.341 10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.761 3.589 9.310 1.00 0.00 H new ATOM 551 N MET A 41 -4.011 -1.475 3.807 1.00 0.00 N ATOM 552 CA MET A 41 -4.293 -1.711 2.390 1.00 0.00 C ATOM 553 C MET A 41 -5.774 -2.061 2.200 1.00 0.00 C ATOM 554 O MET A 41 -6.395 -1.559 1.263 1.00 0.00 O ATOM 555 CB MET A 41 -3.344 -2.709 1.676 1.00 0.00 C ATOM 556 CG MET A 41 -2.708 -3.860 2.474 1.00 0.00 C ATOM 557 SD MET A 41 -1.008 -3.509 2.964 1.00 0.00 S ATOM 558 CE MET A 41 -0.213 -3.754 1.380 1.00 0.00 C ATOM 0 H MET A 41 -3.276 -2.067 4.194 1.00 0.00 H new ATOM 0 HA MET A 41 -4.079 -0.771 1.882 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.900 -3.153 0.851 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.532 -2.129 1.237 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.306 -4.054 3.364 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.728 -4.769 1.873 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.807 -4.106 1.535 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.769 -4.494 0.804 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.192 -2.811 0.834 1.00 0.00 H new ATOM 568 N LYS A 42 -6.365 -2.881 3.080 1.00 0.00 N ATOM 569 CA LYS A 42 -7.787 -3.181 2.961 1.00 0.00 C ATOM 570 C LYS A 42 -8.597 -1.885 3.101 1.00 0.00 C ATOM 571 O LYS A 42 -9.500 -1.628 2.309 1.00 0.00 O ATOM 572 CB LYS A 42 -8.191 -4.253 3.982 1.00 0.00 C ATOM 573 CG LYS A 42 -9.618 -4.758 3.721 1.00 0.00 C ATOM 574 CD LYS A 42 -10.063 -5.824 4.732 1.00 0.00 C ATOM 575 CE LYS A 42 -9.181 -7.078 4.678 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.761 -8.179 5.465 1.00 0.00 N ATOM 0 H LYS A 42 -5.890 -3.335 3.860 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.003 -3.594 1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.492 -5.088 3.933 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.126 -3.842 4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.310 -3.916 3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.674 -5.172 2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.033 -5.404 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.098 -6.101 4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.059 -7.394 3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.187 -6.842 5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.040 -8.912 5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.088 -7.815 6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.565 -8.589 4.948 1.00 0.00 H new ATOM 590 N GLY A 43 -8.259 -1.062 4.096 1.00 0.00 N ATOM 591 CA GLY A 43 -8.886 0.224 4.352 1.00 0.00 C ATOM 592 C GLY A 43 -8.808 1.140 3.129 1.00 0.00 C ATOM 593 O GLY A 43 -9.810 1.738 2.729 1.00 0.00 O ATOM 0 H GLY A 43 -7.519 -1.284 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.929 0.072 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.398 0.705 5.200 1.00 0.00 H new ATOM 597 N TYR A 44 -7.615 1.242 2.536 1.00 0.00 N ATOM 598 CA TYR A 44 -7.356 2.024 1.348 1.00 0.00 C ATOM 599 C TYR A 44 -8.240 1.515 0.218 1.00 0.00 C ATOM 600 O TYR A 44 -9.001 2.298 -0.340 1.00 0.00 O ATOM 601 CB TYR A 44 -5.869 1.938 0.972 1.00 0.00 C ATOM 602 CG TYR A 44 -4.945 2.896 1.704 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.196 4.278 1.645 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.783 2.434 2.354 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.390 5.169 2.370 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.922 3.347 2.992 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.232 4.712 3.009 1.00 0.00 C ATOM 608 OH TYR A 44 -2.387 5.608 3.594 1.00 0.00 O ATOM 0 H TYR A 44 -6.786 0.764 2.888 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.590 3.072 1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.526 0.920 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.774 2.118 -0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.009 4.654 1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.553 1.379 2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.664 6.212 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.020 2.993 3.469 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.516 5.593 4.565 1.00 0.00 H new ATOM 618 N ALA A 45 -8.161 0.221 -0.108 1.00 0.00 N ATOM 619 CA ALA A 45 -8.970 -0.385 -1.161 1.00 0.00 C ATOM 620 C ALA A 45 -10.456 -0.087 -0.943 1.00 0.00 C ATOM 621 O ALA A 45 -11.153 0.340 -1.860 1.00 0.00 O ATOM 622 CB ALA A 45 -8.718 -1.895 -1.195 1.00 0.00 C ATOM 0 H ALA A 45 -7.531 -0.434 0.355 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.683 0.044 -2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.322 -2.347 -1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.663 -2.083 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.989 -2.331 -0.233 1.00 0.00 H new ATOM 628 N ASP A 46 -10.933 -0.314 0.282 1.00 0.00 N ATOM 629 CA ASP A 46 -12.311 -0.067 0.677 1.00 0.00 C ATOM 630 C ASP A 46 -12.667 1.417 0.536 1.00 0.00 C ATOM 631 O ASP A 46 -13.812 1.753 0.249 1.00 0.00 O ATOM 632 CB ASP A 46 -12.497 -0.556 2.117 1.00 0.00 C ATOM 633 CG ASP A 46 -13.866 -0.190 2.672 1.00 0.00 C ATOM 634 OD1 ASP A 46 -14.851 -0.823 2.235 1.00 0.00 O ATOM 635 OD2 ASP A 46 -13.891 0.709 3.540 1.00 0.00 O ATOM 0 H ASP A 46 -10.357 -0.682 1.039 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.988 -0.613 0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.369 -1.638 2.152 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.722 -0.123 2.750 1.00 0.00 H new ATOM 640 N GLY A 47 -11.692 2.301 0.754 1.00 0.00 N ATOM 641 CA GLY A 47 -11.865 3.740 0.658 1.00 0.00 C ATOM 642 C GLY A 47 -12.282 4.342 1.996 1.00 0.00 C ATOM 643 O GLY A 47 -12.824 5.444 2.028 1.00 0.00 O ATOM 0 H GLY A 47 -10.743 2.025 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.934 4.198 0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.619 3.968 -0.096 1.00 0.00 H new ATOM 647 N SER A 48 -12.028 3.635 3.101 1.00 0.00 N ATOM 648 CA SER A 48 -12.315 4.129 4.440 1.00 0.00 C ATOM 649 C SER A 48 -11.058 4.834 4.928 1.00 0.00 C ATOM 650 O SER A 48 -11.035 6.049 5.124 1.00 0.00 O ATOM 651 CB SER A 48 -12.689 2.961 5.356 1.00 0.00 C ATOM 652 OG SER A 48 -11.893 1.832 5.045 1.00 0.00 O ATOM 0 H SER A 48 -11.616 2.702 3.086 1.00 0.00 H new ATOM 0 HA SER A 48 -13.158 4.820 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.543 3.244 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.745 2.717 5.236 1.00 0.00 H new ATOM 0 HG SER A 48 -12.403 1.220 4.474 1.00 0.00 H new ATOM 658 N TYR A 49 -9.995 4.050 5.103 1.00 0.00 N ATOM 659 CA TYR A 49 -8.690 4.556 5.494 1.00 0.00 C ATOM 660 C TYR A 49 -8.070 5.252 4.279 1.00 0.00 C ATOM 661 O TYR A 49 -7.156 4.719 3.664 1.00 0.00 O ATOM 662 CB TYR A 49 -7.820 3.401 6.014 1.00 0.00 C ATOM 663 CG TYR A 49 -6.520 3.845 6.658 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.543 4.389 7.954 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.300 3.756 5.960 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.359 4.861 8.541 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.116 4.246 6.543 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.149 4.811 7.830 1.00 0.00 C ATOM 669 OH TYR A 49 -3.016 5.281 8.423 1.00 0.00 O ATOM 0 H TYR A 49 -10.021 3.038 4.975 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.772 5.279 6.305 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.395 2.826 6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.592 2.731 5.185 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.474 4.444 8.499 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.273 3.311 4.976 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.378 5.264 9.543 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.183 4.188 6.002 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.231 4.930 7.953 1.00 0.00 H new ATOM 679 N GLY A 50 -8.595 6.421 3.909 1.00 0.00 N ATOM 680 CA GLY A 50 -8.131 7.201 2.772 1.00 0.00 C ATOM 681 C GLY A 50 -8.209 8.694 3.091 1.00 0.00 C ATOM 682 O GLY A 50 -7.937 9.094 4.221 1.00 0.00 O ATOM 0 H GLY A 50 -9.372 6.857 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.105 6.927 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.738 6.977 1.895 1.00 0.00 H new ATOM 686 N GLY A 51 -8.573 9.519 2.101 1.00 0.00 N ATOM 687 CA GLY A 51 -8.699 10.965 2.247 1.00 0.00 C ATOM 688 C GLY A 51 -7.765 11.722 1.297 1.00 0.00 C ATOM 689 O GLY A 51 -6.560 11.472 1.265 1.00 0.00 O ATOM 0 H GLY A 51 -8.791 9.189 1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.730 11.260 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.475 11.246 3.276 1.00 0.00 H new ATOM 693 N GLU A 52 -8.337 12.661 0.536 1.00 0.00 N ATOM 694 CA GLU A 52 -7.681 13.542 -0.419 1.00 0.00 C ATOM 695 C GLU A 52 -6.605 12.831 -1.249 1.00 0.00 C ATOM 696 O GLU A 52 -6.938 12.073 -2.157 1.00 0.00 O ATOM 697 CB GLU A 52 -7.203 14.817 0.303 1.00 0.00 C ATOM 698 CG GLU A 52 -8.299 15.458 1.171 1.00 0.00 C ATOM 699 CD GLU A 52 -9.624 15.622 0.433 1.00 0.00 C ATOM 700 OE1 GLU A 52 -9.770 16.657 -0.252 1.00 0.00 O ATOM 701 OE2 GLU A 52 -10.454 14.694 0.556 1.00 0.00 O ATOM 0 H GLU A 52 -9.342 12.832 0.579 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.405 13.854 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.345 14.574 0.930 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.862 15.541 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.457 14.845 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.958 16.434 1.515 1.00 0.00 H new ATOM 708 N ARG A 53 -5.324 13.049 -0.935 1.00 0.00 N ATOM 709 CA ARG A 53 -4.192 12.459 -1.646 1.00 0.00 C ATOM 710 C ARG A 53 -4.341 10.947 -1.807 1.00 0.00 C ATOM 711 O ARG A 53 -3.969 10.371 -2.826 1.00 0.00 O ATOM 712 CB ARG A 53 -2.882 12.806 -0.917 1.00 0.00 C ATOM 713 CG ARG A 53 -2.714 12.148 0.466 1.00 0.00 C ATOM 714 CD ARG A 53 -1.452 12.695 1.140 1.00 0.00 C ATOM 715 NE ARG A 53 -1.272 12.153 2.494 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.130 12.255 3.194 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.922 12.910 2.699 1.00 0.00 N ATOM 718 NH2 ARG A 53 -0.012 11.688 4.398 1.00 0.00 N ATOM 0 H ARG A 53 -5.042 13.653 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.167 12.882 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.043 12.511 -1.548 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.826 13.888 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.587 12.351 1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.643 11.066 0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.581 12.449 0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.510 13.782 1.189 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.060 11.671 2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.866 13.342 1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.782 12.979 3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.795 11.170 4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.861 11.773 4.919 1.00 0.00 H new ATOM 732 N LYS A 54 -4.915 10.313 -0.787 1.00 0.00 N ATOM 733 CA LYS A 54 -5.068 8.877 -0.714 1.00 0.00 C ATOM 734 C LYS A 54 -6.130 8.349 -1.683 1.00 0.00 C ATOM 735 O LYS A 54 -6.243 7.142 -1.846 1.00 0.00 O ATOM 736 CB LYS A 54 -5.362 8.495 0.740 1.00 0.00 C ATOM 737 CG LYS A 54 -4.301 9.098 1.680 1.00 0.00 C ATOM 738 CD LYS A 54 -4.413 8.658 3.149 1.00 0.00 C ATOM 739 CE LYS A 54 -4.315 9.843 4.115 1.00 0.00 C ATOM 740 NZ LYS A 54 -5.498 10.720 4.016 1.00 0.00 N ATOM 0 H LYS A 54 -5.292 10.801 0.025 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.140 8.402 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.352 8.852 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.373 7.410 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.312 8.828 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.372 10.185 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.362 8.144 3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.623 7.942 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.218 9.474 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.415 10.418 3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.440 11.464 4.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.528 11.157 3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.360 10.158 4.165 1.00 0.00 H new ATOM 754 N ALA A 55 -6.905 9.220 -2.336 1.00 0.00 N ATOM 755 CA ALA A 55 -7.924 8.802 -3.296 1.00 0.00 C ATOM 756 C ALA A 55 -7.311 7.985 -4.441 1.00 0.00 C ATOM 757 O ALA A 55 -7.830 6.932 -4.814 1.00 0.00 O ATOM 758 CB ALA A 55 -8.663 10.030 -3.835 1.00 0.00 C ATOM 0 H ALA A 55 -6.842 10.231 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.638 8.157 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.422 9.713 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.140 10.558 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.953 10.694 -4.329 1.00 0.00 H new ATOM 764 N MET A 56 -6.198 8.469 -5.002 1.00 0.00 N ATOM 765 CA MET A 56 -5.501 7.779 -6.080 1.00 0.00 C ATOM 766 C MET A 56 -5.094 6.388 -5.589 1.00 0.00 C ATOM 767 O MET A 56 -5.426 5.370 -6.199 1.00 0.00 O ATOM 768 CB MET A 56 -4.302 8.634 -6.524 1.00 0.00 C ATOM 769 CG MET A 56 -3.540 8.033 -7.713 1.00 0.00 C ATOM 770 SD MET A 56 -2.425 6.657 -7.327 1.00 0.00 S ATOM 771 CE MET A 56 -1.923 6.182 -8.995 1.00 0.00 C ATOM 0 H MET A 56 -5.761 9.346 -4.720 1.00 0.00 H new ATOM 0 HA MET A 56 -6.141 7.643 -6.951 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.654 9.630 -6.792 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.617 8.753 -5.684 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.267 7.690 -8.449 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.958 8.825 -8.184 1.00 0.00 H new ATOM 0 HE1 MET A 56 -1.230 5.342 -8.941 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.802 5.891 -9.571 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.433 7.025 -9.482 1.00 0.00 H new ATOM 781 N MET A 57 -4.395 6.366 -4.452 1.00 0.00 N ATOM 782 CA MET A 57 -3.944 5.150 -3.805 1.00 0.00 C ATOM 783 C MET A 57 -5.117 4.190 -3.621 1.00 0.00 C ATOM 784 O MET A 57 -5.000 3.035 -4.010 1.00 0.00 O ATOM 785 CB MET A 57 -3.248 5.508 -2.493 1.00 0.00 C ATOM 786 CG MET A 57 -2.894 4.275 -1.654 1.00 0.00 C ATOM 787 SD MET A 57 -1.785 4.617 -0.267 1.00 0.00 S ATOM 788 CE MET A 57 -2.279 6.287 0.224 1.00 0.00 C ATOM 0 H MET A 57 -4.126 7.214 -3.952 1.00 0.00 H new ATOM 0 HA MET A 57 -3.215 4.631 -4.427 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.338 6.068 -2.710 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.895 6.165 -1.911 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.814 3.835 -1.269 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.430 3.530 -2.301 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.874 6.511 1.211 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.894 7.007 -0.498 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.367 6.350 0.255 1.00 0.00 H new ATOM 798 N THR A 58 -6.243 4.646 -3.065 1.00 0.00 N ATOM 799 CA THR A 58 -7.448 3.842 -2.904 1.00 0.00 C ATOM 800 C THR A 58 -7.754 3.102 -4.205 1.00 0.00 C ATOM 801 O THR A 58 -7.873 1.879 -4.192 1.00 0.00 O ATOM 802 CB THR A 58 -8.620 4.718 -2.416 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.504 4.913 -1.023 1.00 0.00 O ATOM 804 CG2 THR A 58 -10.009 4.141 -2.723 1.00 0.00 C ATOM 0 H THR A 58 -6.340 5.598 -2.711 1.00 0.00 H new ATOM 0 HA THR A 58 -7.289 3.086 -2.135 1.00 0.00 H new ATOM 0 HB THR A 58 -8.547 5.657 -2.965 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.654 4.062 -0.560 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.776 4.818 -2.347 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.125 4.025 -3.801 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.114 3.170 -2.240 1.00 0.00 H new ATOM 812 N ASN A 59 -7.840 3.811 -5.336 1.00 0.00 N ATOM 813 CA ASN A 59 -8.105 3.143 -6.607 1.00 0.00 C ATOM 814 C ASN A 59 -6.977 2.163 -6.941 1.00 0.00 C ATOM 815 O ASN A 59 -7.251 1.065 -7.423 1.00 0.00 O ATOM 816 CB ASN A 59 -8.298 4.155 -7.741 1.00 0.00 C ATOM 817 CG ASN A 59 -8.989 3.582 -8.986 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.590 4.339 -9.739 1.00 0.00 O ATOM 819 ND2 ASN A 59 -8.952 2.273 -9.249 1.00 0.00 N ATOM 0 H ASN A 59 -7.732 4.824 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.034 2.582 -6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.885 4.994 -7.368 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.324 4.550 -8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.423 1.905 -10.075 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.452 1.641 -8.623 1.00 0.00 H new ATOM 826 N ALA A 60 -5.716 2.541 -6.709 1.00 0.00 N ATOM 827 CA ALA A 60 -4.593 1.647 -6.964 1.00 0.00 C ATOM 828 C ALA A 60 -4.769 0.328 -6.200 1.00 0.00 C ATOM 829 O ALA A 60 -4.657 -0.745 -6.788 1.00 0.00 O ATOM 830 CB ALA A 60 -3.260 2.327 -6.635 1.00 0.00 C ATOM 0 H ALA A 60 -5.453 3.457 -6.346 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.575 1.410 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.440 1.637 -6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.143 3.217 -7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.247 2.611 -5.583 1.00 0.00 H new ATOM 836 N VAL A 61 -5.075 0.391 -4.900 1.00 0.00 N ATOM 837 CA VAL A 61 -5.275 -0.817 -4.108 1.00 0.00 C ATOM 838 C VAL A 61 -6.584 -1.509 -4.495 1.00 0.00 C ATOM 839 O VAL A 61 -6.673 -2.729 -4.409 1.00 0.00 O ATOM 840 CB VAL A 61 -5.226 -0.559 -2.590 1.00 0.00 C ATOM 841 CG1 VAL A 61 -4.841 -1.863 -1.881 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.218 0.512 -2.171 1.00 0.00 C ATOM 0 H VAL A 61 -5.188 1.262 -4.381 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.440 -1.479 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.216 -0.201 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.803 -1.694 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.583 -2.630 -2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.863 -2.193 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.245 0.634 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.217 0.209 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.473 1.458 -2.649 1.00 0.00 H new ATOM 852 N LYS A 62 -7.605 -0.763 -4.934 1.00 0.00 N ATOM 853 CA LYS A 62 -8.903 -1.323 -5.293 1.00 0.00 C ATOM 854 C LYS A 62 -8.773 -2.427 -6.348 1.00 0.00 C ATOM 855 O LYS A 62 -9.629 -3.303 -6.425 1.00 0.00 O ATOM 856 CB LYS A 62 -9.853 -0.196 -5.745 1.00 0.00 C ATOM 857 CG LYS A 62 -11.288 -0.583 -6.147 1.00 0.00 C ATOM 858 CD LYS A 62 -12.292 -0.669 -4.986 1.00 0.00 C ATOM 859 CE LYS A 62 -12.066 -1.828 -4.012 1.00 0.00 C ATOM 860 NZ LYS A 62 -11.986 -3.133 -4.693 1.00 0.00 N ATOM 0 H LYS A 62 -7.549 0.249 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.333 -1.796 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.917 0.532 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.392 0.310 -6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.655 0.145 -6.870 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.259 -1.548 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.257 0.266 -4.427 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.296 -0.755 -5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.145 -1.656 -3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.878 -1.851 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.986 -3.895 -3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.805 -3.246 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.110 -3.180 -5.252 1.00 0.00 H new ATOM 874 N LYS A 63 -7.711 -2.397 -7.159 1.00 0.00 N ATOM 875 CA LYS A 63 -7.478 -3.421 -8.167 1.00 0.00 C ATOM 876 C LYS A 63 -7.230 -4.806 -7.531 1.00 0.00 C ATOM 877 O LYS A 63 -7.408 -5.829 -8.187 1.00 0.00 O ATOM 878 CB LYS A 63 -6.303 -3.014 -9.070 1.00 0.00 C ATOM 879 CG LYS A 63 -6.361 -1.566 -9.589 1.00 0.00 C ATOM 880 CD LYS A 63 -7.707 -1.145 -10.199 1.00 0.00 C ATOM 881 CE LYS A 63 -8.121 -1.995 -11.407 1.00 0.00 C ATOM 882 NZ LYS A 63 -7.129 -1.929 -12.494 1.00 0.00 N ATOM 0 H LYS A 63 -6.999 -1.668 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.379 -3.505 -8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.374 -3.150 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.268 -3.690 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.126 -0.892 -8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.582 -1.434 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.481 -1.212 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.649 -0.100 -10.502 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.248 -3.031 -11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.088 -1.653 -11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.493 -2.433 -13.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.951 -0.935 -12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.242 -2.373 -12.182 1.00 0.00 H new ATOM 896 N ALA A 64 -6.777 -4.831 -6.273 1.00 0.00 N ATOM 897 CA ALA A 64 -6.481 -6.019 -5.482 1.00 0.00 C ATOM 898 C ALA A 64 -7.765 -6.650 -4.926 1.00 0.00 C ATOM 899 O ALA A 64 -8.881 -6.230 -5.221 1.00 0.00 O ATOM 900 CB ALA A 64 -5.587 -5.562 -4.318 1.00 0.00 C ATOM 0 H ALA A 64 -6.599 -3.971 -5.755 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.990 -6.771 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.336 -6.419 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.672 -5.121 -4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.118 -4.821 -3.721 1.00 0.00 H new ATOM 906 N SER A 65 -7.588 -7.668 -4.086 1.00 0.00 N ATOM 907 CA SER A 65 -8.606 -8.383 -3.329 1.00 0.00 C ATOM 908 C SER A 65 -7.861 -9.111 -2.205 1.00 0.00 C ATOM 909 O SER A 65 -6.634 -9.040 -2.160 1.00 0.00 O ATOM 910 CB SER A 65 -9.451 -9.309 -4.218 1.00 0.00 C ATOM 911 OG SER A 65 -10.359 -8.543 -4.985 1.00 0.00 O ATOM 0 H SER A 65 -6.656 -8.041 -3.905 1.00 0.00 H new ATOM 0 HA SER A 65 -9.344 -7.702 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.802 -9.887 -4.876 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.995 -10.023 -3.600 1.00 0.00 H new ATOM 0 HG SER A 65 -10.010 -7.634 -5.094 1.00 0.00 H new ATOM 917 N ASP A 66 -8.582 -9.778 -1.300 1.00 0.00 N ATOM 918 CA ASP A 66 -8.032 -10.379 -0.087 1.00 0.00 C ATOM 919 C ASP A 66 -6.653 -11.028 -0.222 1.00 0.00 C ATOM 920 O ASP A 66 -5.725 -10.625 0.476 1.00 0.00 O ATOM 921 CB ASP A 66 -9.048 -11.343 0.539 1.00 0.00 C ATOM 922 CG ASP A 66 -8.582 -11.835 1.908 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.133 -10.978 2.700 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.688 -13.057 2.142 1.00 0.00 O ATOM 0 H ASP A 66 -9.588 -9.917 -1.395 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.852 -9.538 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.011 -10.843 0.639 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.198 -12.195 -0.123 1.00 0.00 H new ATOM 929 N GLU A 67 -6.494 -12.027 -1.092 1.00 0.00 N ATOM 930 CA GLU A 67 -5.244 -12.721 -1.266 1.00 0.00 C ATOM 931 C GLU A 67 -4.106 -11.752 -1.561 1.00 0.00 C ATOM 932 O GLU A 67 -3.048 -11.791 -0.935 1.00 0.00 O ATOM 933 CB GLU A 67 -5.439 -13.734 -2.394 1.00 0.00 C ATOM 934 CG GLU A 67 -6.673 -14.639 -2.230 1.00 0.00 C ATOM 935 CD GLU A 67 -6.848 -15.146 -0.798 1.00 0.00 C ATOM 936 OE1 GLU A 67 -5.873 -15.722 -0.268 1.00 0.00 O ATOM 937 OE2 GLU A 67 -7.952 -14.927 -0.255 1.00 0.00 O ATOM 0 H GLU A 67 -7.243 -12.370 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.963 -13.237 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.521 -13.196 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.550 -14.361 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.565 -14.087 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.586 -15.491 -2.904 1.00 0.00 H new ATOM 944 N GLU A 68 -4.358 -10.863 -2.514 1.00 0.00 N ATOM 945 CA GLU A 68 -3.418 -9.869 -2.950 1.00 0.00 C ATOM 946 C GLU A 68 -3.115 -8.882 -1.823 1.00 0.00 C ATOM 947 O GLU A 68 -1.957 -8.547 -1.610 1.00 0.00 O ATOM 948 CB GLU A 68 -3.996 -9.157 -4.167 1.00 0.00 C ATOM 949 CG GLU A 68 -4.531 -10.079 -5.270 1.00 0.00 C ATOM 950 CD GLU A 68 -6.032 -10.336 -5.212 1.00 0.00 C ATOM 951 OE1 GLU A 68 -6.471 -11.039 -4.276 1.00 0.00 O ATOM 952 OE2 GLU A 68 -6.721 -9.807 -6.110 1.00 0.00 O ATOM 0 H GLU A 68 -5.248 -10.823 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.476 -10.343 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.805 -8.505 -3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.224 -8.516 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.288 -9.643 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.010 -11.035 -5.211 1.00 0.00 H new ATOM 959 N LEU A 69 -4.136 -8.404 -1.104 1.00 0.00 N ATOM 960 CA LEU A 69 -3.987 -7.478 -0.011 1.00 0.00 C ATOM 961 C LEU A 69 -3.079 -8.094 1.055 1.00 0.00 C ATOM 962 O LEU A 69 -2.092 -7.479 1.461 1.00 0.00 O ATOM 963 CB LEU A 69 -5.393 -7.215 0.537 1.00 0.00 C ATOM 964 CG LEU A 69 -6.270 -6.294 -0.327 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.712 -6.318 0.196 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.778 -4.849 -0.276 1.00 0.00 C ATOM 0 H LEU A 69 -5.106 -8.665 -1.282 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.528 -6.541 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.904 -8.170 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.302 -6.776 1.531 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.218 -6.657 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.332 -5.665 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.099 -7.336 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.730 -5.971 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.420 -4.224 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.808 -4.490 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.754 -4.800 -0.647 1.00 0.00 H new ATOM 978 N LYS A 70 -3.405 -9.318 1.488 1.00 0.00 N ATOM 979 CA LYS A 70 -2.627 -10.045 2.478 1.00 0.00 C ATOM 980 C LYS A 70 -1.192 -10.189 1.990 1.00 0.00 C ATOM 981 O LYS A 70 -0.250 -9.819 2.684 1.00 0.00 O ATOM 982 CB LYS A 70 -3.240 -11.433 2.725 1.00 0.00 C ATOM 983 CG LYS A 70 -4.547 -11.354 3.517 1.00 0.00 C ATOM 984 CD LYS A 70 -5.133 -12.727 3.888 1.00 0.00 C ATOM 985 CE LYS A 70 -5.549 -13.583 2.682 1.00 0.00 C ATOM 986 NZ LYS A 70 -4.450 -14.415 2.158 1.00 0.00 N ATOM 0 H LYS A 70 -4.223 -9.828 1.154 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.637 -9.490 3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.425 -11.922 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.526 -12.053 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.374 -10.785 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.282 -10.802 2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.396 -13.278 4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.001 -12.577 4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.379 -14.228 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.913 -12.930 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.834 -15.314 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.973 -13.912 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.767 -14.607 2.918 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.025 -10.713 0.778 1.00 0.00 N ATOM 1001 CA ALA A 71 0.291 -10.935 0.220 1.00 0.00 C ATOM 1002 C ALA A 71 1.081 -9.644 0.048 1.00 0.00 C ATOM 1003 O ALA A 71 2.295 -9.648 0.246 1.00 0.00 O ATOM 1004 CB ALA A 71 0.151 -11.671 -1.112 1.00 0.00 C ATOM 0 H ALA A 71 -1.793 -10.990 0.167 1.00 0.00 H new ATOM 0 HA ALA A 71 0.858 -11.545 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.139 -11.842 -1.539 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.344 -12.628 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.442 -11.069 -1.800 1.00 0.00 H new ATOM 1010 N LEU A 72 0.428 -8.537 -0.314 1.00 0.00 N ATOM 1011 CA LEU A 72 1.120 -7.295 -0.516 1.00 0.00 C ATOM 1012 C LEU A 72 1.583 -6.816 0.854 1.00 0.00 C ATOM 1013 O LEU A 72 2.745 -6.452 1.006 1.00 0.00 O ATOM 1014 CB LEU A 72 0.174 -6.358 -1.263 1.00 0.00 C ATOM 1015 CG LEU A 72 0.802 -5.018 -1.630 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.997 -5.106 -2.582 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.289 -4.192 -2.304 1.00 0.00 C ATOM 0 H LEU A 72 -0.579 -8.492 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 72 2.015 -7.366 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.167 -6.851 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.708 -6.180 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 72 1.189 -4.577 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.375 -4.104 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.784 -5.705 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.684 -5.571 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.113 -3.219 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.641 -4.712 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.120 -4.054 -1.613 1.00 0.00 H new ATOM 1029 N ALA A 73 0.702 -6.868 1.861 1.00 0.00 N ATOM 1030 CA ALA A 73 1.084 -6.561 3.230 1.00 0.00 C ATOM 1031 C ALA A 73 2.294 -7.396 3.651 1.00 0.00 C ATOM 1032 O ALA A 73 3.294 -6.844 4.105 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.096 -6.814 4.167 1.00 0.00 C ATOM 0 H ALA A 73 -0.279 -7.121 1.745 1.00 0.00 H new ATOM 0 HA ALA A 73 1.362 -5.509 3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.196 -6.582 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.934 -6.180 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.394 -7.861 4.103 1.00 0.00 H new ATOM 1039 N ASP A 74 2.215 -8.721 3.486 1.00 0.00 N ATOM 1040 CA ASP A 74 3.293 -9.630 3.854 1.00 0.00 C ATOM 1041 C ASP A 74 4.596 -9.218 3.168 1.00 0.00 C ATOM 1042 O ASP A 74 5.622 -9.076 3.829 1.00 0.00 O ATOM 1043 CB ASP A 74 2.929 -11.081 3.504 1.00 0.00 C ATOM 1044 CG ASP A 74 1.698 -11.600 4.245 1.00 0.00 C ATOM 1045 OD1 ASP A 74 1.507 -11.189 5.411 1.00 0.00 O ATOM 1046 OD2 ASP A 74 0.976 -12.419 3.635 1.00 0.00 O ATOM 0 H ASP A 74 1.398 -9.189 3.093 1.00 0.00 H new ATOM 0 HA ASP A 74 3.438 -9.570 4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.754 -11.154 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.778 -11.725 3.733 1.00 0.00 H new ATOM 1051 N TYR A 75 4.553 -9.021 1.847 1.00 0.00 N ATOM 1052 CA TYR A 75 5.708 -8.614 1.059 1.00 0.00 C ATOM 1053 C TYR A 75 6.309 -7.323 1.613 1.00 0.00 C ATOM 1054 O TYR A 75 7.454 -7.290 2.058 1.00 0.00 O ATOM 1055 CB TYR A 75 5.268 -8.422 -0.400 1.00 0.00 C ATOM 1056 CG TYR A 75 6.307 -7.865 -1.360 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.672 -8.194 -1.230 1.00 0.00 C ATOM 1058 CD2 TYR A 75 5.898 -7.009 -2.399 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.620 -7.630 -2.101 1.00 0.00 C ATOM 1060 CE2 TYR A 75 6.847 -6.449 -3.270 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.210 -6.737 -3.105 1.00 0.00 C ATOM 1062 OH TYR A 75 9.125 -6.164 -3.936 1.00 0.00 O ATOM 0 H TYR A 75 3.704 -9.142 1.294 1.00 0.00 H new ATOM 0 HA TYR A 75 6.476 -9.386 1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.933 -9.386 -0.784 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.405 -7.757 -0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.990 -8.881 -0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.850 -6.782 -2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.665 -7.883 -1.998 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.527 -5.796 -4.068 1.00 0.00 H new ATOM 0 HH TYR A 75 8.667 -5.575 -4.571 1.00 0.00 H new ATOM 1072 N MET A 76 5.521 -6.250 1.575 1.00 0.00 N ATOM 1073 CA MET A 76 5.907 -4.933 2.004 1.00 0.00 C ATOM 1074 C MET A 76 6.410 -4.899 3.450 1.00 0.00 C ATOM 1075 O MET A 76 7.299 -4.121 3.783 1.00 0.00 O ATOM 1076 CB MET A 76 4.705 -4.038 1.738 1.00 0.00 C ATOM 1077 CG MET A 76 4.489 -3.857 0.222 1.00 0.00 C ATOM 1078 SD MET A 76 4.027 -2.202 -0.334 1.00 0.00 S ATOM 1079 CE MET A 76 2.388 -2.053 0.385 1.00 0.00 C ATOM 0 H MET A 76 4.562 -6.290 1.229 1.00 0.00 H new ATOM 0 HA MET A 76 6.771 -4.571 1.446 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.813 -4.474 2.189 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.857 -3.066 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.407 -4.145 -0.290 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.714 -4.553 -0.098 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.155 -1.000 0.545 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.653 -2.489 -0.292 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.360 -2.580 1.339 1.00 0.00 H new ATOM 1089 N SER A 77 5.876 -5.767 4.307 1.00 0.00 N ATOM 1090 CA SER A 77 6.334 -5.895 5.685 1.00 0.00 C ATOM 1091 C SER A 77 7.805 -6.334 5.781 1.00 0.00 C ATOM 1092 O SER A 77 8.371 -6.277 6.871 1.00 0.00 O ATOM 1093 CB SER A 77 5.418 -6.862 6.450 1.00 0.00 C ATOM 1094 OG SER A 77 5.636 -6.833 7.851 1.00 0.00 O ATOM 0 H SER A 77 5.114 -6.400 4.064 1.00 0.00 H new ATOM 0 HA SER A 77 6.279 -4.908 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.378 -6.610 6.243 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.579 -7.875 6.083 1.00 0.00 H new ATOM 0 HG SER A 77 5.678 -5.903 8.156 1.00 0.00 H new ATOM 1100 N LYS A 78 8.438 -6.767 4.682 1.00 0.00 N ATOM 1101 CA LYS A 78 9.826 -7.205 4.677 1.00 0.00 C ATOM 1102 C LYS A 78 10.484 -6.623 3.425 1.00 0.00 C ATOM 1103 O LYS A 78 11.064 -7.349 2.619 1.00 0.00 O ATOM 1104 CB LYS A 78 9.841 -8.742 4.722 1.00 0.00 C ATOM 1105 CG LYS A 78 11.224 -9.314 5.062 1.00 0.00 C ATOM 1106 CD LYS A 78 11.269 -10.836 4.874 1.00 0.00 C ATOM 1107 CE LYS A 78 10.266 -11.571 5.771 1.00 0.00 C ATOM 1108 NZ LYS A 78 10.433 -13.032 5.674 1.00 0.00 N ATOM 0 H LYS A 78 7.990 -6.821 3.767 1.00 0.00 H new ATOM 0 HA LYS A 78 10.391 -6.855 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.119 -9.086 5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.519 -9.132 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.977 -8.846 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.477 -9.067 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.062 -11.076 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.275 -11.195 5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.400 -11.255 6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.250 -11.299 5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.741 -13.502 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.281 -13.334 4.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.395 -13.292 5.971 1.00 0.00 H new ATOM 1122 N LEU A 79 10.374 -5.304 3.261 1.00 0.00 N ATOM 1123 CA LEU A 79 10.804 -4.571 2.108 1.00 0.00 C ATOM 1124 C LEU A 79 11.308 -3.213 2.578 1.00 0.00 C ATOM 1125 O LEU A 79 10.695 -2.718 3.548 1.00 0.00 O ATOM 1126 CB LEU A 79 9.518 -4.412 1.312 1.00 0.00 C ATOM 1127 CG LEU A 79 9.727 -3.816 -0.066 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.657 -4.657 -0.945 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.353 -3.685 -0.724 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.261 -2.688 1.965 1.00 0.00 O ATOM 0 H LEU A 79 9.960 -4.704 3.974 1.00 0.00 H new ATOM 0 HA LEU A 79 11.599 -5.044 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.042 -5.387 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.830 -3.779 1.872 1.00 0.00 H new ATOM 0 HG LEU A 79 10.213 -2.846 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.768 -4.179 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.633 -4.739 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.233 -5.652 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.466 -3.258 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.891 -4.669 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.721 -3.034 -0.120 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.504 4.111 -0.463 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.216 4.762 2.799 1.00 5.52 C HETATM 1145 CHB HEC A 80 -0.481 0.944 0.402 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.436 3.288 -3.727 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.756 7.417 -1.209 1.00 10.53 C HETATM 1148 NA HEC A 80 0.475 3.038 1.235 1.00 6.22 N HETATM 1149 C1A HEC A 80 0.865 3.459 2.485 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.708 2.398 3.450 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.078 1.380 2.809 1.00 7.07 C HETATM 1152 C4A HEC A 80 -0.011 1.759 1.419 1.00 9.92 C HETATM 1153 CMA HEC A 80 -0.464 0.099 3.381 1.00 7.00 C HETATM 1154 CAA HEC A 80 1.056 2.530 4.905 1.00 7.29 C HETATM 1155 CBA HEC A 80 -0.095 3.153 5.701 1.00 11.15 C HETATM 1156 CGA HEC A 80 0.317 3.823 7.010 1.00 22.27 C HETATM 1157 O1A HEC A 80 -0.524 4.506 7.588 1.00 18.65 O HETATM 1158 O2A HEC A 80 1.462 3.684 7.423 1.00 17.21 O HETATM 1159 NB HEC A 80 0.019 2.479 -1.451 1.00 4.54 N HETATM 1160 C1B HEC A 80 -0.406 1.266 -0.948 1.00 10.91 C HETATM 1161 C2B HEC A 80 -0.598 0.318 -2.014 1.00 5.88 C HETATM 1162 C3B HEC A 80 -0.092 0.903 -3.137 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.115 2.297 -2.807 1.00 4.49 C HETATM 1164 CMB HEC A 80 -1.103 -1.075 -1.777 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.281 0.328 -4.486 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.251 -1.041 -4.922 1.00 6.48 C HETATM 1167 NC HEC A 80 0.533 5.164 -2.149 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.505 4.647 -3.426 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.628 5.698 -4.402 1.00 5.77 C HETATM 1170 C3C HEC A 80 0.848 6.860 -3.708 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.710 6.526 -2.290 1.00 11.13 C HETATM 1172 CMC HEC A 80 0.591 5.421 -5.886 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.242 8.235 -4.222 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.695 8.675 -5.586 1.00 10.94 C HETATM 1175 ND HEC A 80 0.779 5.756 0.605 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.766 7.052 0.142 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.646 7.956 1.271 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.710 7.203 2.411 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.954 5.847 1.974 1.00 9.05 C HETATM 1180 CMD HEC A 80 0.356 9.427 1.150 1.00 5.28 C HETATM 1181 CAD HEC A 80 0.409 7.667 3.829 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.918 6.900 5.070 1.00 6.36 C HETATM 1183 CGD HEC A 80 0.501 7.674 6.315 1.00 6.46 C HETATM 1184 O1D HEC A 80 1.268 8.529 6.748 1.00 8.25 O HETATM 1185 O2D HEC A 80 -0.596 7.428 6.811 1.00 15.15 O HETATM 0 HMD3 HEC A 80 1.143 9.906 0.567 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.603 9.569 0.651 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 0.318 9.873 2.144 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.406 4.747 -6.151 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 -0.361 4.958 -6.146 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 0.701 6.357 -6.434 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 -0.418 -1.602 -1.112 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -2.091 -1.031 -1.319 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -1.167 -1.605 -2.727 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.346 -0.464 3.845 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -1.222 0.327 4.130 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.909 -0.496 2.584 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 0.501 5.893 5.091 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 2.002 6.795 5.033 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 1.030 7.978 -6.354 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.395 8.685 -5.555 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 1.060 9.675 -5.819 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 0.082 -1.802 -4.216 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.341 -1.018 -4.944 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 0.127 -1.278 -5.916 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.594 3.891 5.073 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -0.827 2.376 5.922 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.788 8.686 3.913 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -0.676 7.722 3.917 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.294 1.548 5.314 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.949 3.145 5.013 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.786 8.482 -1.440 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.648 2.982 -4.752 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.937 -0.007 0.677 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.725 4.945 3.745 1.00 5.52 H new