USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=28 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 180:sc= 0.67 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 171:sc= 0.751 (180deg=-0.04) USER MOD Set 2.1: A 38 TYR OH : rot 3:sc= 1.91 USER MOD Set 2.2: A 42 LYS NZ :NH3+ -162:sc= 0.741 (180deg=-0.173) USER MOD Set 3.1: A 41 MET CE :methyl 152:sc= -1.29 (180deg=-1.22) USER MOD Set 3.2: A 76 MET CE :methyl -171:sc= -2.28! (180deg=-2.53) USER MOD Set 4.1: A 40 LYS NZ :NH3+ -160:sc= 0.844 (180deg=0.487) USER MOD Set 4.2: A 49 TYR OH : rot 159:sc= 1.23 USER MOD Set 5.1: A 8 LYS NZ :NH3+ 161:sc= 1.83 (180deg=0.771) USER MOD Set 5.2: A 9 SER OG : rot 85:sc= 1.71 USER MOD Single : A 1 ALA N :NH3+ 151:sc= 0.561 (180deg=0.0338!) USER MOD Single : A 7 TYR OH : rot -149:sc= 1.16 USER MOD Single : A 19 SER OG : rot -103:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0.833) USER MOD Single : A 23 MET CE :methyl -177:sc= 0 (180deg=-0.0116) USER MOD Single : A 25 SER OG : rot 180:sc= -0.228 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0639) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 1.66 (180deg=1.15) USER MOD Single : A 32 GLN : amide:sc= 2.2 K(o=2.2,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0575) USER MOD Single : A 48 SER OG : rot -98:sc= 1.32 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 165:sc= -0.96 (180deg=-1.79) USER MOD Single : A 58 THR OG1 : rot 80:sc= 0.944 USER MOD Single : A 59 ASN : amide:sc= 0.215 X(o=0.22,f=-0.061) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0.372 (180deg=0.372) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0422) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0374 USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= 0.0536 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 78:sc= 0.708 USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= 0.616 (180deg=0.446) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.025 -12.964 -6.333 1.00 0.00 N ATOM 2 CA ALA A 1 0.419 -13.210 -6.468 1.00 0.00 C ATOM 3 C ALA A 1 1.087 -12.744 -5.179 1.00 0.00 C ATOM 4 O ALA A 1 0.431 -12.040 -4.416 1.00 0.00 O ATOM 5 CB ALA A 1 0.988 -12.455 -7.673 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.437 -12.792 -7.272 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.480 -13.794 -5.902 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.180 -12.131 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 1 0.608 -14.271 -6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.057 -12.651 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.488 -12.790 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.824 -11.385 -7.542 1.00 0.00 H new ATOM 13 N ASP A 2 2.359 -13.081 -4.945 1.00 0.00 N ATOM 14 CA ASP A 2 3.046 -12.763 -3.695 1.00 0.00 C ATOM 15 C ASP A 2 3.440 -11.281 -3.556 1.00 0.00 C ATOM 16 O ASP A 2 4.597 -10.983 -3.270 1.00 0.00 O ATOM 17 CB ASP A 2 4.260 -13.696 -3.538 1.00 0.00 C ATOM 18 CG ASP A 2 4.923 -13.571 -2.164 1.00 0.00 C ATOM 19 OD1 ASP A 2 4.168 -13.448 -1.175 1.00 0.00 O ATOM 20 OD2 ASP A 2 6.171 -13.618 -2.131 1.00 0.00 O ATOM 0 H ASP A 2 2.939 -13.582 -5.618 1.00 0.00 H new ATOM 0 HA ASP A 2 2.341 -12.933 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.943 -14.728 -3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.992 -13.468 -4.313 1.00 0.00 H new ATOM 25 N GLY A 3 2.515 -10.338 -3.778 1.00 0.00 N ATOM 26 CA GLY A 3 2.743 -8.912 -3.594 1.00 0.00 C ATOM 27 C GLY A 3 3.611 -8.278 -4.681 1.00 0.00 C ATOM 28 O GLY A 3 3.161 -7.374 -5.375 1.00 0.00 O ATOM 0 H GLY A 3 1.571 -10.557 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 3 1.781 -8.401 -3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.216 -8.752 -2.625 1.00 0.00 H new ATOM 32 N ALA A 4 4.843 -8.761 -4.836 1.00 0.00 N ATOM 33 CA ALA A 4 5.883 -8.258 -5.735 1.00 0.00 C ATOM 34 C ALA A 4 5.344 -7.776 -7.085 1.00 0.00 C ATOM 35 O ALA A 4 5.572 -6.634 -7.490 1.00 0.00 O ATOM 36 CB ALA A 4 6.937 -9.351 -5.940 1.00 0.00 C ATOM 0 H ALA A 4 5.163 -9.568 -4.301 1.00 0.00 H new ATOM 0 HA ALA A 4 6.325 -7.382 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.716 -8.985 -6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.379 -9.615 -4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.467 -10.232 -6.378 1.00 0.00 H new ATOM 42 N ALA A 5 4.621 -8.668 -7.769 1.00 0.00 N ATOM 43 CA ALA A 5 4.039 -8.423 -9.083 1.00 0.00 C ATOM 44 C ALA A 5 3.211 -7.135 -9.114 1.00 0.00 C ATOM 45 O ALA A 5 3.202 -6.430 -10.117 1.00 0.00 O ATOM 46 CB ALA A 5 3.203 -9.633 -9.504 1.00 0.00 C ATOM 0 H ALA A 5 4.422 -9.602 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 5 4.850 -8.284 -9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.768 -9.450 -10.486 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.839 -10.517 -9.548 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.406 -9.795 -8.778 1.00 0.00 H new ATOM 52 N LEU A 6 2.495 -6.841 -8.029 1.00 0.00 N ATOM 53 CA LEU A 6 1.708 -5.640 -7.873 1.00 0.00 C ATOM 54 C LEU A 6 2.640 -4.504 -7.444 1.00 0.00 C ATOM 55 O LEU A 6 2.673 -3.447 -8.079 1.00 0.00 O ATOM 56 CB LEU A 6 0.640 -5.894 -6.809 1.00 0.00 C ATOM 57 CG LEU A 6 -0.457 -6.862 -7.262 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.027 -8.305 -7.550 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.501 -6.898 -6.149 1.00 0.00 C ATOM 0 H LEU A 6 2.452 -7.456 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 6 1.218 -5.365 -8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.118 -6.292 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.183 -4.944 -6.531 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.815 -6.482 -8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.894 -8.888 -7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.719 -8.311 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.400 -8.744 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.306 -7.578 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.037 -7.245 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.906 -5.898 -5.998 1.00 0.00 H new ATOM 71 N TYR A 7 3.406 -4.751 -6.372 1.00 0.00 N ATOM 72 CA TYR A 7 4.313 -3.802 -5.739 1.00 0.00 C ATOM 73 C TYR A 7 5.154 -3.024 -6.743 1.00 0.00 C ATOM 74 O TYR A 7 5.304 -1.810 -6.596 1.00 0.00 O ATOM 75 CB TYR A 7 5.204 -4.472 -4.687 1.00 0.00 C ATOM 76 CG TYR A 7 5.989 -3.447 -3.887 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.306 -2.615 -2.980 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.320 -3.144 -4.237 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.933 -1.470 -2.460 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.955 -2.015 -3.691 1.00 0.00 C ATOM 81 CZ TYR A 7 7.245 -1.153 -2.839 1.00 0.00 C ATOM 82 OH TYR A 7 7.791 0.027 -2.438 1.00 0.00 O ATOM 0 H TYR A 7 3.405 -5.659 -5.907 1.00 0.00 H new ATOM 0 HA TYR A 7 3.674 -3.080 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.588 -5.067 -4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.894 -5.158 -5.177 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.296 -2.858 -2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.854 -3.781 -4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.403 -0.833 -1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.989 -1.810 -3.927 1.00 0.00 H new ATOM 0 HH TYR A 7 8.433 0.336 -3.111 1.00 0.00 H new ATOM 92 N LYS A 8 5.685 -3.706 -7.764 1.00 0.00 N ATOM 93 CA LYS A 8 6.501 -3.079 -8.798 1.00 0.00 C ATOM 94 C LYS A 8 5.881 -1.787 -9.353 1.00 0.00 C ATOM 95 O LYS A 8 6.602 -0.883 -9.760 1.00 0.00 O ATOM 96 CB LYS A 8 6.821 -4.102 -9.893 1.00 0.00 C ATOM 97 CG LYS A 8 5.583 -4.574 -10.666 1.00 0.00 C ATOM 98 CD LYS A 8 5.424 -3.832 -12.004 1.00 0.00 C ATOM 99 CE LYS A 8 4.306 -4.435 -12.863 1.00 0.00 C ATOM 100 NZ LYS A 8 3.002 -4.406 -12.177 1.00 0.00 N ATOM 0 H LYS A 8 5.558 -4.710 -7.893 1.00 0.00 H new ATOM 0 HA LYS A 8 7.438 -2.760 -8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.532 -3.663 -10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.310 -4.966 -9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.658 -5.645 -10.852 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.693 -4.418 -10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.208 -2.781 -11.813 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.364 -3.869 -12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.234 -3.885 -13.801 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.559 -5.465 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.239 -4.512 -12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.953 -5.186 -11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.892 -3.499 -11.680 1.00 0.00 H new ATOM 114 N SER A 9 4.548 -1.689 -9.366 1.00 0.00 N ATOM 115 CA SER A 9 3.839 -0.501 -9.817 1.00 0.00 C ATOM 116 C SER A 9 3.932 0.606 -8.759 1.00 0.00 C ATOM 117 O SER A 9 4.216 1.766 -9.057 1.00 0.00 O ATOM 118 CB SER A 9 2.365 -0.857 -10.070 1.00 0.00 C ATOM 119 OG SER A 9 2.228 -2.192 -10.523 1.00 0.00 O ATOM 0 H SER A 9 3.931 -2.442 -9.060 1.00 0.00 H new ATOM 0 HA SER A 9 4.293 -0.140 -10.740 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.793 -0.722 -9.152 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.946 -0.175 -10.810 1.00 0.00 H new ATOM 0 HG SER A 9 2.199 -2.797 -9.753 1.00 0.00 H new ATOM 125 N CYS A 10 3.689 0.218 -7.504 1.00 0.00 N ATOM 126 CA CYS A 10 3.634 1.083 -6.334 1.00 0.00 C ATOM 127 C CYS A 10 4.962 1.819 -6.166 1.00 0.00 C ATOM 128 O CYS A 10 4.988 2.959 -5.694 1.00 0.00 O ATOM 129 CB CYS A 10 3.283 0.263 -5.083 1.00 0.00 C ATOM 130 SG CYS A 10 2.015 -1.035 -5.246 1.00 0.00 S ATOM 0 H CYS A 10 3.517 -0.760 -7.270 1.00 0.00 H new ATOM 0 HA CYS A 10 2.851 1.828 -6.473 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.198 -0.206 -4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.955 0.957 -4.309 1.00 0.00 H new ATOM 135 N ILE A 11 6.060 1.169 -6.583 1.00 0.00 N ATOM 136 CA ILE A 11 7.404 1.740 -6.592 1.00 0.00 C ATOM 137 C ILE A 11 7.386 3.173 -7.128 1.00 0.00 C ATOM 138 O ILE A 11 8.125 4.013 -6.617 1.00 0.00 O ATOM 139 CB ILE A 11 8.376 0.863 -7.411 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.611 -0.469 -6.679 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.721 1.564 -7.678 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.604 -1.402 -7.380 1.00 0.00 C ATOM 0 H ILE A 11 6.031 0.210 -6.930 1.00 0.00 H new ATOM 0 HA ILE A 11 7.760 1.766 -5.562 1.00 0.00 H new ATOM 0 HB ILE A 11 7.914 0.680 -8.381 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.974 -0.259 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.657 -0.986 -6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.367 0.904 -8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.547 2.484 -8.237 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.202 1.801 -6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.714 -2.318 -6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.234 -1.645 -8.376 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.572 -0.907 -7.463 1.00 0.00 H new ATOM 154 N GLY A 12 6.547 3.457 -8.134 1.00 0.00 N ATOM 155 CA GLY A 12 6.415 4.787 -8.716 1.00 0.00 C ATOM 156 C GLY A 12 6.332 5.887 -7.653 1.00 0.00 C ATOM 157 O GLY A 12 6.908 6.959 -7.828 1.00 0.00 O ATOM 0 H GLY A 12 5.939 2.761 -8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.266 4.981 -9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.521 4.820 -9.339 1.00 0.00 H new ATOM 161 N CYS A 13 5.627 5.619 -6.548 1.00 0.00 N ATOM 162 CA CYS A 13 5.472 6.562 -5.445 1.00 0.00 C ATOM 163 C CYS A 13 6.297 6.141 -4.232 1.00 0.00 C ATOM 164 O CYS A 13 6.834 6.988 -3.524 1.00 0.00 O ATOM 165 CB CYS A 13 4.003 6.642 -5.039 1.00 0.00 C ATOM 166 SG CYS A 13 2.964 7.692 -6.089 1.00 0.00 S ATOM 0 H CYS A 13 5.146 4.733 -6.397 1.00 0.00 H new ATOM 0 HA CYS A 13 5.825 7.535 -5.786 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.588 5.634 -5.038 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.946 7.011 -4.015 1.00 0.00 H new ATOM 171 N HIS A 14 6.383 4.836 -3.975 1.00 0.00 N ATOM 172 CA HIS A 14 6.992 4.284 -2.771 1.00 0.00 C ATOM 173 C HIS A 14 8.502 4.049 -2.826 1.00 0.00 C ATOM 174 O HIS A 14 9.139 3.908 -1.779 1.00 0.00 O ATOM 175 CB HIS A 14 6.234 2.989 -2.460 1.00 0.00 C ATOM 176 CG HIS A 14 4.918 3.282 -1.800 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.851 3.779 -0.510 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.623 3.276 -2.257 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.562 4.032 -0.251 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.750 3.679 -1.248 1.00 0.00 N ATOM 0 H HIS A 14 6.025 4.123 -4.610 1.00 0.00 H new ATOM 0 HA HIS A 14 6.902 5.028 -1.980 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.067 2.431 -3.381 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.838 2.357 -1.810 1.00 0.00 H new ATOM 0 HD1 HIS A 14 5.636 3.925 0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.323 2.998 -3.257 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.216 4.476 0.670 1.00 0.00 H new ATOM 188 N GLY A 15 9.105 4.029 -4.010 1.00 0.00 N ATOM 189 CA GLY A 15 10.509 3.682 -4.131 1.00 0.00 C ATOM 190 C GLY A 15 10.637 2.161 -4.066 1.00 0.00 C ATOM 191 O GLY A 15 9.655 1.455 -3.822 1.00 0.00 O ATOM 0 H GLY A 15 8.643 4.248 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.913 4.057 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.085 4.146 -3.330 1.00 0.00 H new ATOM 195 N ALA A 16 11.840 1.624 -4.268 1.00 0.00 N ATOM 196 CA ALA A 16 12.064 0.181 -4.282 1.00 0.00 C ATOM 197 C ALA A 16 12.076 -0.425 -2.871 1.00 0.00 C ATOM 198 O ALA A 16 12.955 -1.226 -2.563 1.00 0.00 O ATOM 199 CB ALA A 16 13.362 -0.112 -5.043 1.00 0.00 C ATOM 0 H ALA A 16 12.683 2.176 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 16 11.230 -0.297 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.539 -1.187 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.276 0.257 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.195 0.385 -4.546 1.00 0.00 H new ATOM 205 N ASP A 17 11.106 -0.060 -2.023 1.00 0.00 N ATOM 206 CA ASP A 17 10.969 -0.537 -0.650 1.00 0.00 C ATOM 207 C ASP A 17 9.754 0.071 0.060 1.00 0.00 C ATOM 208 O ASP A 17 8.998 -0.644 0.709 1.00 0.00 O ATOM 209 CB ASP A 17 12.239 -0.314 0.197 1.00 0.00 C ATOM 210 CG ASP A 17 12.717 1.135 0.300 1.00 0.00 C ATOM 211 OD1 ASP A 17 12.228 1.987 -0.477 1.00 0.00 O ATOM 212 OD2 ASP A 17 13.587 1.373 1.164 1.00 0.00 O ATOM 0 H ASP A 17 10.373 0.598 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 17 10.815 -1.612 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.054 -0.689 1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.045 -0.915 -0.224 1.00 0.00 H new ATOM 217 N GLY A 18 9.579 1.390 -0.044 1.00 0.00 N ATOM 218 CA GLY A 18 8.530 2.133 0.646 1.00 0.00 C ATOM 219 C GLY A 18 9.170 3.209 1.504 1.00 0.00 C ATOM 220 O GLY A 18 8.883 3.291 2.698 1.00 0.00 O ATOM 0 H GLY A 18 10.176 1.981 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.850 2.583 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.937 1.460 1.266 1.00 0.00 H new ATOM 224 N SER A 19 10.014 4.033 0.880 1.00 0.00 N ATOM 225 CA SER A 19 10.853 5.024 1.533 1.00 0.00 C ATOM 226 C SER A 19 10.446 6.469 1.253 1.00 0.00 C ATOM 227 O SER A 19 10.194 7.224 2.187 1.00 0.00 O ATOM 228 CB SER A 19 12.286 4.815 1.032 1.00 0.00 C ATOM 229 OG SER A 19 12.276 4.692 -0.382 1.00 0.00 O ATOM 0 H SER A 19 10.132 4.023 -0.133 1.00 0.00 H new ATOM 0 HA SER A 19 10.751 4.881 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.914 5.654 1.331 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.714 3.920 1.483 1.00 0.00 H new ATOM 0 HG SER A 19 12.372 3.749 -0.629 1.00 0.00 H new ATOM 235 N LYS A 20 10.412 6.855 -0.028 1.00 0.00 N ATOM 236 CA LYS A 20 10.300 8.244 -0.484 1.00 0.00 C ATOM 237 C LYS A 20 8.990 9.008 -0.200 1.00 0.00 C ATOM 238 O LYS A 20 8.616 9.883 -0.975 1.00 0.00 O ATOM 239 CB LYS A 20 10.736 8.308 -1.958 1.00 0.00 C ATOM 240 CG LYS A 20 9.732 7.764 -2.981 1.00 0.00 C ATOM 241 CD LYS A 20 10.431 7.691 -4.349 1.00 0.00 C ATOM 242 CE LYS A 20 9.493 7.303 -5.498 1.00 0.00 C ATOM 243 NZ LYS A 20 8.413 8.286 -5.685 1.00 0.00 N ATOM 0 H LYS A 20 10.463 6.189 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 20 10.976 8.811 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.952 9.347 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.669 7.754 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.381 6.777 -2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.857 8.411 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.881 8.659 -4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.244 6.967 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.067 7.215 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.060 6.323 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.905 8.080 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.751 8.231 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.819 9.242 -5.733 1.00 0.00 H new ATOM 257 N ALA A 21 8.304 8.712 0.907 1.00 0.00 N ATOM 258 CA ALA A 21 7.119 9.391 1.430 1.00 0.00 C ATOM 259 C ALA A 21 6.002 9.726 0.431 1.00 0.00 C ATOM 260 O ALA A 21 5.155 10.568 0.735 1.00 0.00 O ATOM 261 CB ALA A 21 7.562 10.631 2.213 1.00 0.00 C ATOM 0 H ALA A 21 8.584 7.934 1.504 1.00 0.00 H new ATOM 0 HA ALA A 21 6.635 8.659 2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.685 11.145 2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.207 10.329 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.109 11.303 1.552 1.00 0.00 H new ATOM 267 N ALA A 22 5.952 9.019 -0.702 1.00 0.00 N ATOM 268 CA ALA A 22 4.947 9.149 -1.749 1.00 0.00 C ATOM 269 C ALA A 22 4.439 10.587 -1.927 1.00 0.00 C ATOM 270 O ALA A 22 5.229 11.493 -2.189 1.00 0.00 O ATOM 271 CB ALA A 22 3.853 8.111 -1.488 1.00 0.00 C ATOM 0 H ALA A 22 6.648 8.306 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 22 5.394 8.937 -2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.087 8.188 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.288 7.112 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.404 8.293 -0.512 1.00 0.00 H new ATOM 277 N MET A 23 3.124 10.801 -1.819 1.00 0.00 N ATOM 278 CA MET A 23 2.532 12.126 -1.949 1.00 0.00 C ATOM 279 C MET A 23 2.915 13.040 -0.776 1.00 0.00 C ATOM 280 O MET A 23 2.138 13.250 0.159 1.00 0.00 O ATOM 281 CB MET A 23 1.007 12.047 -2.123 1.00 0.00 C ATOM 282 CG MET A 23 0.571 11.316 -3.397 1.00 0.00 C ATOM 283 SD MET A 23 1.130 12.033 -4.967 1.00 0.00 S ATOM 284 CE MET A 23 0.126 13.534 -5.019 1.00 0.00 C ATOM 0 H MET A 23 2.446 10.060 -1.640 1.00 0.00 H new ATOM 0 HA MET A 23 2.944 12.573 -2.854 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.577 11.541 -1.259 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.599 13.058 -2.136 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.932 10.289 -3.342 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.518 11.271 -3.410 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.312 14.064 -5.953 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.929 13.268 -4.957 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.389 14.177 -4.179 1.00 0.00 H new ATOM 294 N GLY A 24 4.125 13.595 -0.837 1.00 0.00 N ATOM 295 CA GLY A 24 4.614 14.620 0.069 1.00 0.00 C ATOM 296 C GLY A 24 5.023 14.135 1.457 1.00 0.00 C ATOM 297 O GLY A 24 6.134 14.433 1.897 1.00 0.00 O ATOM 0 H GLY A 24 4.811 13.331 -1.544 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.472 15.108 -0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.839 15.378 0.183 1.00 0.00 H new ATOM 301 N SER A 25 4.137 13.459 2.194 1.00 0.00 N ATOM 302 CA SER A 25 4.440 13.081 3.575 1.00 0.00 C ATOM 303 C SER A 25 3.731 11.808 4.028 1.00 0.00 C ATOM 304 O SER A 25 3.172 11.762 5.121 1.00 0.00 O ATOM 305 CB SER A 25 4.113 14.254 4.509 1.00 0.00 C ATOM 306 OG SER A 25 4.730 15.447 4.059 1.00 0.00 O ATOM 0 H SER A 25 3.218 13.166 1.863 1.00 0.00 H new ATOM 0 HA SER A 25 5.505 12.854 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.033 14.395 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.451 14.024 5.520 1.00 0.00 H new ATOM 0 HG SER A 25 4.506 16.181 4.669 1.00 0.00 H new ATOM 312 N ALA A 26 3.762 10.768 3.199 1.00 0.00 N ATOM 313 CA ALA A 26 3.201 9.477 3.564 1.00 0.00 C ATOM 314 C ALA A 26 4.087 8.806 4.611 1.00 0.00 C ATOM 315 O ALA A 26 5.311 8.902 4.506 1.00 0.00 O ATOM 316 CB ALA A 26 3.157 8.588 2.322 1.00 0.00 C ATOM 0 H ALA A 26 4.173 10.798 2.266 1.00 0.00 H new ATOM 0 HA ALA A 26 2.199 9.620 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.738 7.617 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.535 9.058 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.167 8.454 1.934 1.00 0.00 H new ATOM 322 N LYS A 27 3.511 8.117 5.606 1.00 0.00 N ATOM 323 CA LYS A 27 4.349 7.345 6.520 1.00 0.00 C ATOM 324 C LYS A 27 5.078 6.303 5.663 1.00 0.00 C ATOM 325 O LYS A 27 4.418 5.643 4.857 1.00 0.00 O ATOM 326 CB LYS A 27 3.565 6.606 7.618 1.00 0.00 C ATOM 327 CG LYS A 27 2.382 7.349 8.242 1.00 0.00 C ATOM 328 CD LYS A 27 2.750 8.737 8.784 1.00 0.00 C ATOM 329 CE LYS A 27 1.497 9.536 9.162 1.00 0.00 C ATOM 330 NZ LYS A 27 0.669 8.834 10.158 1.00 0.00 N ATOM 0 H LYS A 27 2.509 8.080 5.791 1.00 0.00 H new ATOM 0 HA LYS A 27 5.015 8.037 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.195 5.670 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.261 6.346 8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.595 7.456 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.972 6.747 9.053 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.393 8.630 9.657 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.320 9.284 8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.793 10.507 9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.904 9.724 8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.091 9.465 10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.253 7.984 9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.260 8.557 10.968 1.00 0.00 H new ATOM 344 N PRO A 28 6.406 6.149 5.773 1.00 0.00 N ATOM 345 CA PRO A 28 7.112 5.162 4.981 1.00 0.00 C ATOM 346 C PRO A 28 6.494 3.775 5.137 1.00 0.00 C ATOM 347 O PRO A 28 6.073 3.382 6.224 1.00 0.00 O ATOM 348 CB PRO A 28 8.567 5.213 5.454 1.00 0.00 C ATOM 349 CG PRO A 28 8.716 6.651 5.947 1.00 0.00 C ATOM 350 CD PRO A 28 7.338 6.962 6.536 1.00 0.00 C ATOM 0 HA PRO A 28 7.047 5.378 3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 28 8.759 4.492 6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.263 4.989 4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.504 6.741 6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.970 7.331 5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.298 6.716 7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.101 8.022 6.446 1.00 0.00 H new ATOM 358 N VAL A 29 6.422 3.050 4.025 1.00 0.00 N ATOM 359 CA VAL A 29 5.821 1.730 3.939 1.00 0.00 C ATOM 360 C VAL A 29 6.812 0.659 4.388 1.00 0.00 C ATOM 361 O VAL A 29 6.393 -0.361 4.937 1.00 0.00 O ATOM 362 CB VAL A 29 5.323 1.526 2.495 1.00 0.00 C ATOM 363 CG1 VAL A 29 5.452 0.095 1.968 1.00 0.00 C ATOM 364 CG2 VAL A 29 3.853 1.940 2.412 1.00 0.00 C ATOM 0 H VAL A 29 6.793 3.378 3.133 1.00 0.00 H new ATOM 0 HA VAL A 29 4.968 1.644 4.612 1.00 0.00 H new ATOM 0 HB VAL A 29 5.967 2.144 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.077 0.049 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.500 -0.206 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.871 -0.579 2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.492 1.799 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.263 1.327 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.754 2.989 2.690 1.00 0.00 H new ATOM 374 N LYS A 30 8.104 0.896 4.130 1.00 0.00 N ATOM 375 CA LYS A 30 9.209 -0.006 4.421 1.00 0.00 C ATOM 376 C LYS A 30 9.007 -0.737 5.754 1.00 0.00 C ATOM 377 O LYS A 30 9.234 -0.168 6.821 1.00 0.00 O ATOM 378 CB LYS A 30 10.514 0.799 4.405 1.00 0.00 C ATOM 379 CG LYS A 30 11.739 -0.118 4.460 1.00 0.00 C ATOM 380 CD LYS A 30 13.025 0.717 4.494 1.00 0.00 C ATOM 381 CE LYS A 30 14.270 -0.170 4.379 1.00 0.00 C ATOM 382 NZ LYS A 30 14.330 -0.868 3.082 1.00 0.00 N ATOM 0 H LYS A 30 8.415 1.764 3.693 1.00 0.00 H new ATOM 0 HA LYS A 30 9.255 -0.781 3.656 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.555 1.409 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.532 1.483 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.687 -0.754 5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.748 -0.777 3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.014 1.439 3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.067 1.287 5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.164 0.441 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.269 -0.903 5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.292 -1.233 2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.655 -1.659 3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.086 -0.205 2.319 1.00 0.00 H new ATOM 396 N GLY A 31 8.540 -1.983 5.682 1.00 0.00 N ATOM 397 CA GLY A 31 8.328 -2.843 6.824 1.00 0.00 C ATOM 398 C GLY A 31 7.472 -2.248 7.953 1.00 0.00 C ATOM 399 O GLY A 31 7.852 -2.425 9.107 1.00 0.00 O ATOM 0 H GLY A 31 8.294 -2.426 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.856 -3.763 6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.300 -3.118 7.235 1.00 0.00 H new ATOM 403 N GLN A 32 6.330 -1.578 7.684 1.00 0.00 N ATOM 404 CA GLN A 32 5.500 -1.052 8.792 1.00 0.00 C ATOM 405 C GLN A 32 5.179 -2.167 9.792 1.00 0.00 C ATOM 406 O GLN A 32 5.452 -2.094 10.987 1.00 0.00 O ATOM 407 CB GLN A 32 4.182 -0.375 8.349 1.00 0.00 C ATOM 408 CG GLN A 32 4.314 0.530 7.126 1.00 0.00 C ATOM 409 CD GLN A 32 3.121 1.477 6.937 1.00 0.00 C ATOM 410 OE1 GLN A 32 1.980 1.063 7.115 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.361 2.731 6.546 1.00 0.00 N ATOM 0 H GLN A 32 5.971 -1.393 6.747 1.00 0.00 H new ATOM 0 HA GLN A 32 6.106 -0.272 9.253 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.445 -1.149 8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.793 0.213 9.180 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.226 1.120 7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.422 -0.089 6.235 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.321 3.047 6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.585 3.373 6.387 1.00 0.00 H new ATOM 420 N GLY A 33 4.563 -3.195 9.231 1.00 0.00 N ATOM 421 CA GLY A 33 4.167 -4.444 9.875 1.00 0.00 C ATOM 422 C GLY A 33 3.072 -5.114 9.050 1.00 0.00 C ATOM 423 O GLY A 33 2.309 -4.408 8.402 1.00 0.00 O ATOM 0 H GLY A 33 4.307 -3.181 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.027 -5.108 9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.808 -4.247 10.885 1.00 0.00 H new ATOM 427 N ALA A 34 2.957 -6.446 9.060 1.00 0.00 N ATOM 428 CA ALA A 34 1.947 -7.122 8.242 1.00 0.00 C ATOM 429 C ALA A 34 0.542 -6.799 8.726 1.00 0.00 C ATOM 430 O ALA A 34 -0.355 -6.594 7.915 1.00 0.00 O ATOM 431 CB ALA A 34 2.188 -8.633 8.181 1.00 0.00 C ATOM 0 H ALA A 34 3.542 -7.069 9.617 1.00 0.00 H new ATOM 0 HA ALA A 34 2.041 -6.742 7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.419 -9.100 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.168 -8.828 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.149 -9.049 9.188 1.00 0.00 H new ATOM 437 N GLU A 35 0.359 -6.746 10.045 1.00 0.00 N ATOM 438 CA GLU A 35 -0.904 -6.416 10.674 1.00 0.00 C ATOM 439 C GLU A 35 -1.315 -5.018 10.217 1.00 0.00 C ATOM 440 O GLU A 35 -2.379 -4.830 9.630 1.00 0.00 O ATOM 441 CB GLU A 35 -0.734 -6.467 12.201 1.00 0.00 C ATOM 442 CG GLU A 35 -0.539 -7.891 12.752 1.00 0.00 C ATOM 443 CD GLU A 35 0.806 -8.529 12.402 1.00 0.00 C ATOM 444 OE1 GLU A 35 1.770 -7.763 12.174 1.00 0.00 O ATOM 445 OE2 GLU A 35 0.845 -9.777 12.355 1.00 0.00 O ATOM 0 H GLU A 35 1.105 -6.937 10.714 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.680 -7.128 10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.124 -5.857 12.483 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.611 -6.021 12.671 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.643 -7.864 13.837 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.338 -8.527 12.371 1.00 0.00 H new ATOM 452 N GLU A 36 -0.432 -4.052 10.489 1.00 0.00 N ATOM 453 CA GLU A 36 -0.543 -2.669 10.135 1.00 0.00 C ATOM 454 C GLU A 36 -0.921 -2.554 8.662 1.00 0.00 C ATOM 455 O GLU A 36 -1.984 -2.039 8.326 1.00 0.00 O ATOM 456 CB GLU A 36 0.850 -2.085 10.396 1.00 0.00 C ATOM 457 CG GLU A 36 1.188 -1.877 11.875 1.00 0.00 C ATOM 458 CD GLU A 36 0.330 -0.784 12.502 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.511 0.383 12.093 1.00 0.00 O ATOM 460 OE2 GLU A 36 -0.502 -1.137 13.366 1.00 0.00 O ATOM 0 H GLU A 36 0.430 -4.249 10.997 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.309 -2.141 10.703 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.595 -2.748 9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.931 -1.128 9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.040 -2.811 12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.241 -1.614 11.974 1.00 0.00 H new ATOM 467 N LEU A 37 -0.038 -3.051 7.796 1.00 0.00 N ATOM 468 CA LEU A 37 -0.212 -3.012 6.360 1.00 0.00 C ATOM 469 C LEU A 37 -1.567 -3.613 5.991 1.00 0.00 C ATOM 470 O LEU A 37 -2.402 -2.892 5.462 1.00 0.00 O ATOM 471 CB LEU A 37 0.968 -3.700 5.658 1.00 0.00 C ATOM 472 CG LEU A 37 2.260 -2.859 5.677 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.479 -3.746 5.412 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.231 -1.760 4.612 1.00 0.00 C ATOM 0 H LEU A 37 0.831 -3.498 8.087 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.214 -1.979 6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.159 -4.659 6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.695 -3.911 4.624 1.00 0.00 H new ATOM 0 HG LEU A 37 2.328 -2.403 6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.383 -3.137 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.545 -4.514 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.379 -4.220 4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.158 -1.187 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.129 -2.212 3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.386 -1.097 4.796 1.00 0.00 H new ATOM 486 N TYR A 38 -1.822 -4.894 6.278 1.00 0.00 N ATOM 487 CA TYR A 38 -3.081 -5.542 5.931 1.00 0.00 C ATOM 488 C TYR A 38 -4.289 -4.679 6.293 1.00 0.00 C ATOM 489 O TYR A 38 -5.146 -4.420 5.447 1.00 0.00 O ATOM 490 CB TYR A 38 -3.195 -6.946 6.535 1.00 0.00 C ATOM 491 CG TYR A 38 -4.467 -7.667 6.116 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.800 -7.774 4.750 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.369 -8.141 7.087 1.00 0.00 C ATOM 494 CE1 TYR A 38 -6.022 -8.345 4.361 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.579 -8.742 6.692 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.898 -8.859 5.330 1.00 0.00 C ATOM 497 OH TYR A 38 -8.070 -9.447 4.957 1.00 0.00 O ATOM 0 H TYR A 38 -1.160 -5.505 6.756 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.079 -5.658 4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.331 -7.538 6.233 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.166 -6.872 7.622 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.112 -7.415 3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.132 -8.043 8.136 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.288 -8.389 3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.264 -9.114 7.439 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.128 -9.468 3.979 1.00 0.00 H new ATOM 507 N LYS A 39 -4.337 -4.222 7.544 1.00 0.00 N ATOM 508 CA LYS A 39 -5.409 -3.358 8.012 1.00 0.00 C ATOM 509 C LYS A 39 -5.501 -2.098 7.152 1.00 0.00 C ATOM 510 O LYS A 39 -6.592 -1.718 6.737 1.00 0.00 O ATOM 511 CB LYS A 39 -5.199 -3.005 9.490 1.00 0.00 C ATOM 512 CG LYS A 39 -5.408 -4.204 10.428 1.00 0.00 C ATOM 513 CD LYS A 39 -6.887 -4.597 10.561 1.00 0.00 C ATOM 514 CE LYS A 39 -7.083 -5.688 11.621 1.00 0.00 C ATOM 515 NZ LYS A 39 -6.384 -6.936 11.264 1.00 0.00 N ATOM 0 H LYS A 39 -3.637 -4.441 8.253 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.354 -3.893 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.190 -2.616 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.888 -2.208 9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.841 -5.057 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.009 -3.964 11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.476 -3.719 10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.259 -4.951 9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.716 -5.329 12.583 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.147 -5.890 11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.624 -7.678 11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.677 -7.238 10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.357 -6.774 11.274 1.00 0.00 H new ATOM 529 N LYS A 40 -4.373 -1.443 6.877 1.00 0.00 N ATOM 530 CA LYS A 40 -4.310 -0.259 6.059 1.00 0.00 C ATOM 531 C LYS A 40 -4.803 -0.545 4.631 1.00 0.00 C ATOM 532 O LYS A 40 -5.737 0.128 4.198 1.00 0.00 O ATOM 533 CB LYS A 40 -2.882 0.278 6.144 1.00 0.00 C ATOM 534 CG LYS A 40 -2.606 0.882 7.532 1.00 0.00 C ATOM 535 CD LYS A 40 -1.100 0.995 7.808 1.00 0.00 C ATOM 536 CE LYS A 40 -0.811 1.489 9.229 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.352 2.839 9.462 1.00 0.00 N ATOM 0 H LYS A 40 -3.463 -1.738 7.231 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.984 0.518 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.174 -0.527 5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.727 1.036 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.064 1.869 7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.072 0.263 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.631 0.022 7.660 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.650 1.679 7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.244 0.795 9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.266 1.495 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.867 3.272 10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.200 3.425 8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.371 2.775 9.661 1.00 0.00 H new ATOM 551 N MET A 41 -4.234 -1.517 3.893 1.00 0.00 N ATOM 552 CA MET A 41 -4.715 -1.830 2.551 1.00 0.00 C ATOM 553 C MET A 41 -6.222 -2.113 2.571 1.00 0.00 C ATOM 554 O MET A 41 -6.944 -1.607 1.712 1.00 0.00 O ATOM 555 CB MET A 41 -3.927 -2.945 1.816 1.00 0.00 C ATOM 556 CG MET A 41 -2.880 -3.809 2.529 1.00 0.00 C ATOM 557 SD MET A 41 -1.292 -3.005 2.791 1.00 0.00 S ATOM 558 CE MET A 41 -0.572 -3.222 1.164 1.00 0.00 C ATOM 0 H MET A 41 -3.450 -2.089 4.207 1.00 0.00 H new ATOM 0 HA MET A 41 -4.527 -0.936 1.956 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.666 -3.629 1.399 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.422 -2.470 0.975 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.280 -4.116 3.495 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.720 -4.717 1.947 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.134 -2.415 0.968 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.051 -4.179 1.121 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.361 -3.204 0.412 1.00 0.00 H new ATOM 568 N LYS A 42 -6.708 -2.891 3.545 1.00 0.00 N ATOM 569 CA LYS A 42 -8.137 -3.159 3.661 1.00 0.00 C ATOM 570 C LYS A 42 -8.914 -1.860 3.890 1.00 0.00 C ATOM 571 O LYS A 42 -9.924 -1.629 3.233 1.00 0.00 O ATOM 572 CB LYS A 42 -8.402 -4.174 4.780 1.00 0.00 C ATOM 573 CG LYS A 42 -7.931 -5.586 4.402 1.00 0.00 C ATOM 574 CD LYS A 42 -8.848 -6.313 3.400 1.00 0.00 C ATOM 575 CE LYS A 42 -10.247 -6.638 3.944 1.00 0.00 C ATOM 576 NZ LYS A 42 -10.189 -7.402 5.203 1.00 0.00 N ATOM 0 H LYS A 42 -6.133 -3.341 4.257 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.488 -3.593 2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.892 -3.853 5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.468 -4.196 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.929 -5.521 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.855 -6.186 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.952 -5.696 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.366 -7.241 3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.796 -5.711 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.801 -7.209 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.108 -7.858 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.449 -8.130 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.969 -6.758 5.990 1.00 0.00 H new ATOM 590 N GLY A 43 -8.451 -1.012 4.810 1.00 0.00 N ATOM 591 CA GLY A 43 -9.066 0.265 5.129 1.00 0.00 C ATOM 592 C GLY A 43 -9.201 1.138 3.882 1.00 0.00 C ATOM 593 O GLY A 43 -10.275 1.674 3.599 1.00 0.00 O ATOM 0 H GLY A 43 -7.617 -1.205 5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.050 0.099 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.466 0.784 5.877 1.00 0.00 H new ATOM 597 N TYR A 44 -8.104 1.275 3.135 1.00 0.00 N ATOM 598 CA TYR A 44 -8.069 2.025 1.898 1.00 0.00 C ATOM 599 C TYR A 44 -9.043 1.406 0.894 1.00 0.00 C ATOM 600 O TYR A 44 -9.905 2.104 0.377 1.00 0.00 O ATOM 601 CB TYR A 44 -6.639 2.035 1.349 1.00 0.00 C ATOM 602 CG TYR A 44 -5.733 3.107 1.913 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.962 4.455 1.587 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.599 2.759 2.669 1.00 0.00 C ATOM 605 CE1 TYR A 44 -5.112 5.454 2.091 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.768 3.763 3.191 1.00 0.00 C ATOM 607 CZ TYR A 44 -4.043 5.113 2.931 1.00 0.00 C ATOM 608 OH TYR A 44 -3.250 6.094 3.451 1.00 0.00 O ATOM 0 H TYR A 44 -7.207 0.858 3.384 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.376 3.055 2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.187 1.062 1.543 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.685 2.155 0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.791 4.723 0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.368 1.719 2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.283 6.488 1.830 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.914 3.494 3.795 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.556 5.690 4.013 1.00 0.00 H new ATOM 618 N ALA A 45 -8.925 0.102 0.625 1.00 0.00 N ATOM 619 CA ALA A 45 -9.794 -0.597 -0.320 1.00 0.00 C ATOM 620 C ALA A 45 -11.270 -0.397 0.029 1.00 0.00 C ATOM 621 O ALA A 45 -12.086 -0.132 -0.849 1.00 0.00 O ATOM 622 CB ALA A 45 -9.427 -2.083 -0.365 1.00 0.00 C ATOM 0 H ALA A 45 -8.222 -0.497 1.058 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.641 -0.173 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.079 -2.597 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.390 -2.192 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.551 -2.519 0.627 1.00 0.00 H new ATOM 628 N ASP A 46 -11.607 -0.525 1.314 1.00 0.00 N ATOM 629 CA ASP A 46 -12.951 -0.312 1.826 1.00 0.00 C ATOM 630 C ASP A 46 -13.360 1.153 1.648 1.00 0.00 C ATOM 631 O ASP A 46 -14.522 1.443 1.376 1.00 0.00 O ATOM 632 CB ASP A 46 -12.987 -0.727 3.300 1.00 0.00 C ATOM 633 CG ASP A 46 -14.312 -0.365 3.958 1.00 0.00 C ATOM 634 OD1 ASP A 46 -15.301 -1.077 3.685 1.00 0.00 O ATOM 635 OD2 ASP A 46 -14.299 0.615 4.734 1.00 0.00 O ATOM 0 H ASP A 46 -10.936 -0.785 2.037 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.665 -0.919 1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.824 -1.802 3.379 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.171 -0.241 3.834 1.00 0.00 H new ATOM 640 N GLY A 47 -12.407 2.071 1.820 1.00 0.00 N ATOM 641 CA GLY A 47 -12.609 3.503 1.670 1.00 0.00 C ATOM 642 C GLY A 47 -12.839 4.185 3.015 1.00 0.00 C ATOM 643 O GLY A 47 -13.342 5.304 3.055 1.00 0.00 O ATOM 0 H GLY A 47 -11.450 1.827 2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.739 3.944 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.465 3.684 1.020 1.00 0.00 H new ATOM 647 N SER A 48 -12.471 3.531 4.121 1.00 0.00 N ATOM 648 CA SER A 48 -12.593 4.072 5.455 1.00 0.00 C ATOM 649 C SER A 48 -11.302 4.822 5.758 1.00 0.00 C ATOM 650 O SER A 48 -11.295 6.038 5.941 1.00 0.00 O ATOM 651 CB SER A 48 -12.793 2.899 6.415 1.00 0.00 C ATOM 652 OG SER A 48 -12.122 1.746 5.940 1.00 0.00 O ATOM 0 H SER A 48 -12.073 2.592 4.101 1.00 0.00 H new ATOM 0 HA SER A 48 -13.436 4.755 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.418 3.163 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.857 2.688 6.524 1.00 0.00 H new ATOM 0 HG SER A 48 -12.758 1.168 5.469 1.00 0.00 H new ATOM 658 N TYR A 49 -10.193 4.080 5.793 1.00 0.00 N ATOM 659 CA TYR A 49 -8.875 4.639 6.048 1.00 0.00 C ATOM 660 C TYR A 49 -8.368 5.340 4.784 1.00 0.00 C ATOM 661 O TYR A 49 -7.420 4.880 4.157 1.00 0.00 O ATOM 662 CB TYR A 49 -7.920 3.535 6.530 1.00 0.00 C ATOM 663 CG TYR A 49 -6.571 4.049 6.995 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.493 4.901 8.112 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.408 3.753 6.261 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.265 5.483 8.469 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.179 4.333 6.622 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.110 5.208 7.719 1.00 0.00 C ATOM 669 OH TYR A 49 -2.928 5.782 8.081 1.00 0.00 O ATOM 0 H TYR A 49 -10.190 3.071 5.644 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.928 5.384 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.392 2.991 7.348 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.767 2.822 5.720 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.378 5.108 8.696 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.459 3.079 5.419 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.209 6.143 9.322 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.288 4.106 6.056 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.185 5.263 7.708 1.00 0.00 H new ATOM 679 N GLY A 50 -9.020 6.442 4.405 1.00 0.00 N ATOM 680 CA GLY A 50 -8.676 7.236 3.235 1.00 0.00 C ATOM 681 C GLY A 50 -8.553 8.715 3.600 1.00 0.00 C ATOM 682 O GLY A 50 -8.086 9.045 4.688 1.00 0.00 O ATOM 0 H GLY A 50 -9.820 6.811 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.736 6.881 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.438 7.109 2.466 1.00 0.00 H new ATOM 686 N GLY A 51 -8.944 9.614 2.690 1.00 0.00 N ATOM 687 CA GLY A 51 -8.817 11.055 2.861 1.00 0.00 C ATOM 688 C GLY A 51 -8.779 11.727 1.487 1.00 0.00 C ATOM 689 O GLY A 51 -9.406 11.230 0.555 1.00 0.00 O ATOM 0 H GLY A 51 -9.365 9.349 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.655 11.439 3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.909 11.288 3.418 1.00 0.00 H new ATOM 693 N GLU A 52 -8.018 12.821 1.355 1.00 0.00 N ATOM 694 CA GLU A 52 -7.899 13.600 0.121 1.00 0.00 C ATOM 695 C GLU A 52 -6.968 12.920 -0.900 1.00 0.00 C ATOM 696 O GLU A 52 -7.449 12.150 -1.728 1.00 0.00 O ATOM 697 CB GLU A 52 -7.547 15.077 0.413 1.00 0.00 C ATOM 698 CG GLU A 52 -6.881 15.371 1.769 1.00 0.00 C ATOM 699 CD GLU A 52 -5.612 14.559 1.982 1.00 0.00 C ATOM 700 OE1 GLU A 52 -4.635 14.843 1.258 1.00 0.00 O ATOM 701 OE2 GLU A 52 -5.673 13.616 2.801 1.00 0.00 O ATOM 0 H GLU A 52 -7.457 13.195 2.120 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.877 13.624 -0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.884 15.432 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.463 15.665 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.644 16.433 1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.586 15.154 2.571 1.00 0.00 H new ATOM 708 N ARG A 53 -5.646 13.166 -0.862 1.00 0.00 N ATOM 709 CA ARG A 53 -4.686 12.555 -1.778 1.00 0.00 C ATOM 710 C ARG A 53 -4.848 11.031 -1.805 1.00 0.00 C ATOM 711 O ARG A 53 -4.668 10.374 -2.829 1.00 0.00 O ATOM 712 CB ARG A 53 -3.279 12.988 -1.347 1.00 0.00 C ATOM 713 CG ARG A 53 -2.784 12.308 -0.060 1.00 0.00 C ATOM 714 CD ARG A 53 -1.536 13.013 0.476 1.00 0.00 C ATOM 715 NE ARG A 53 -1.865 14.317 1.058 1.00 0.00 N ATOM 716 CZ ARG A 53 -0.973 15.207 1.514 1.00 0.00 C ATOM 717 NH1 ARG A 53 0.343 14.983 1.414 1.00 0.00 N ATOM 718 NH2 ARG A 53 -1.420 16.333 2.077 1.00 0.00 N ATOM 0 H ARG A 53 -5.218 13.800 -0.187 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.863 12.892 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.579 12.769 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.271 14.068 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.571 12.327 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.559 11.260 -0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.058 12.387 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.816 13.145 -0.332 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.852 14.567 1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.683 14.122 0.985 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.006 15.673 1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.423 16.502 2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.758 17.024 2.431 1.00 0.00 H new ATOM 732 N LYS A 54 -5.232 10.504 -0.642 1.00 0.00 N ATOM 733 CA LYS A 54 -5.556 9.126 -0.350 1.00 0.00 C ATOM 734 C LYS A 54 -6.482 8.501 -1.396 1.00 0.00 C ATOM 735 O LYS A 54 -6.510 7.283 -1.538 1.00 0.00 O ATOM 736 CB LYS A 54 -6.265 9.113 0.996 1.00 0.00 C ATOM 737 CG LYS A 54 -5.481 9.765 2.143 1.00 0.00 C ATOM 738 CD LYS A 54 -4.011 9.326 2.224 1.00 0.00 C ATOM 739 CE LYS A 54 -3.403 9.669 3.589 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.855 8.730 4.633 1.00 0.00 N ATOM 0 H LYS A 54 -5.330 11.091 0.186 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.635 8.543 -0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.222 9.625 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.484 8.080 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.520 10.848 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.973 9.528 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.940 8.252 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.439 9.815 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.315 9.643 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.681 10.686 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.312 8.893 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.867 8.881 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.705 7.753 4.310 1.00 0.00 H new ATOM 754 N ALA A 55 -7.282 9.308 -2.092 1.00 0.00 N ATOM 755 CA ALA A 55 -8.118 8.835 -3.191 1.00 0.00 C ATOM 756 C ALA A 55 -7.289 8.008 -4.189 1.00 0.00 C ATOM 757 O ALA A 55 -7.741 6.967 -4.671 1.00 0.00 O ATOM 758 CB ALA A 55 -8.770 10.034 -3.885 1.00 0.00 C ATOM 0 H ALA A 55 -7.368 10.308 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.899 8.186 -2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.395 9.683 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.384 10.579 -3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.995 10.694 -4.275 1.00 0.00 H new ATOM 764 N MET A 56 -6.060 8.452 -4.482 1.00 0.00 N ATOM 765 CA MET A 56 -5.161 7.739 -5.381 1.00 0.00 C ATOM 766 C MET A 56 -4.894 6.341 -4.816 1.00 0.00 C ATOM 767 O MET A 56 -5.089 5.330 -5.490 1.00 0.00 O ATOM 768 CB MET A 56 -3.849 8.522 -5.542 1.00 0.00 C ATOM 769 CG MET A 56 -4.068 9.916 -6.145 1.00 0.00 C ATOM 770 SD MET A 56 -2.563 10.909 -6.322 1.00 0.00 S ATOM 771 CE MET A 56 -1.917 10.234 -7.868 1.00 0.00 C ATOM 0 H MET A 56 -5.668 9.313 -4.101 1.00 0.00 H new ATOM 0 HA MET A 56 -5.621 7.643 -6.365 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.367 8.622 -4.569 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.168 7.957 -6.178 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.531 9.804 -7.126 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.775 10.461 -5.519 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.985 10.739 -8.124 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.731 9.167 -7.749 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.645 10.389 -8.665 1.00 0.00 H new ATOM 781 N MET A 57 -4.471 6.304 -3.551 1.00 0.00 N ATOM 782 CA MET A 57 -4.187 5.096 -2.802 1.00 0.00 C ATOM 783 C MET A 57 -5.383 4.150 -2.857 1.00 0.00 C ATOM 784 O MET A 57 -5.242 2.982 -3.208 1.00 0.00 O ATOM 785 CB MET A 57 -3.874 5.490 -1.350 1.00 0.00 C ATOM 786 CG MET A 57 -2.380 5.438 -1.064 1.00 0.00 C ATOM 787 SD MET A 57 -1.602 3.819 -1.251 1.00 0.00 S ATOM 788 CE MET A 57 -2.546 2.741 -0.147 1.00 0.00 C ATOM 0 H MET A 57 -4.313 7.152 -3.006 1.00 0.00 H new ATOM 0 HA MET A 57 -3.331 4.578 -3.234 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.247 6.496 -1.157 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.399 4.819 -0.669 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.877 6.141 -1.728 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.212 5.786 -0.045 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.330 1.699 -0.384 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.266 2.944 0.887 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.612 2.930 -0.278 1.00 0.00 H new ATOM 798 N THR A 58 -6.558 4.679 -2.514 1.00 0.00 N ATOM 799 CA THR A 58 -7.831 3.978 -2.518 1.00 0.00 C ATOM 800 C THR A 58 -7.991 3.247 -3.850 1.00 0.00 C ATOM 801 O THR A 58 -8.127 2.025 -3.877 1.00 0.00 O ATOM 802 CB THR A 58 -8.964 4.987 -2.255 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.732 5.655 -1.028 1.00 0.00 O ATOM 804 CG2 THR A 58 -10.349 4.338 -2.226 1.00 0.00 C ATOM 0 H THR A 58 -6.646 5.650 -2.214 1.00 0.00 H new ATOM 0 HA THR A 58 -7.871 3.230 -1.726 1.00 0.00 H new ATOM 0 HB THR A 58 -8.957 5.693 -3.085 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.068 6.363 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.104 5.101 -2.037 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.548 3.861 -3.186 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.383 3.589 -1.435 1.00 0.00 H new ATOM 812 N ASN A 59 -7.936 3.987 -4.963 1.00 0.00 N ATOM 813 CA ASN A 59 -8.077 3.382 -6.281 1.00 0.00 C ATOM 814 C ASN A 59 -6.977 2.348 -6.530 1.00 0.00 C ATOM 815 O ASN A 59 -7.256 1.290 -7.096 1.00 0.00 O ATOM 816 CB ASN A 59 -8.063 4.461 -7.370 1.00 0.00 C ATOM 817 CG ASN A 59 -8.592 3.998 -8.733 1.00 0.00 C ATOM 818 OD1 ASN A 59 -8.984 4.832 -9.541 1.00 0.00 O ATOM 819 ND2 ASN A 59 -8.642 2.700 -9.039 1.00 0.00 N ATOM 0 H ASN A 59 -7.796 4.997 -4.972 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.037 2.866 -6.318 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.660 5.308 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.041 4.820 -7.494 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.006 2.403 -9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.316 2.005 -8.368 1.00 0.00 H new ATOM 826 N ALA A 60 -5.737 2.648 -6.135 1.00 0.00 N ATOM 827 CA ALA A 60 -4.612 1.752 -6.354 1.00 0.00 C ATOM 828 C ALA A 60 -4.869 0.399 -5.691 1.00 0.00 C ATOM 829 O ALA A 60 -4.824 -0.635 -6.354 1.00 0.00 O ATOM 830 CB ALA A 60 -3.309 2.397 -5.867 1.00 0.00 C ATOM 0 H ALA A 60 -5.491 3.515 -5.658 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.503 1.572 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.478 1.713 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.135 3.324 -6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.386 2.614 -4.802 1.00 0.00 H new ATOM 836 N VAL A 61 -5.166 0.393 -4.390 1.00 0.00 N ATOM 837 CA VAL A 61 -5.413 -0.859 -3.688 1.00 0.00 C ATOM 838 C VAL A 61 -6.713 -1.519 -4.160 1.00 0.00 C ATOM 839 O VAL A 61 -6.779 -2.743 -4.203 1.00 0.00 O ATOM 840 CB VAL A 61 -5.373 -0.683 -2.164 1.00 0.00 C ATOM 841 CG1 VAL A 61 -4.019 -0.140 -1.693 1.00 0.00 C ATOM 842 CG2 VAL A 61 -6.497 0.205 -1.637 1.00 0.00 C ATOM 0 H VAL A 61 -5.240 1.230 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.598 -1.537 -3.941 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.520 -1.681 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.029 -0.029 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.229 -0.834 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.835 0.830 -2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.415 0.291 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.420 1.195 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.460 -0.236 -1.894 1.00 0.00 H new ATOM 852 N LYS A 62 -7.739 -0.740 -4.529 1.00 0.00 N ATOM 853 CA LYS A 62 -9.019 -1.280 -4.986 1.00 0.00 C ATOM 854 C LYS A 62 -8.832 -2.278 -6.137 1.00 0.00 C ATOM 855 O LYS A 62 -9.630 -3.200 -6.289 1.00 0.00 O ATOM 856 CB LYS A 62 -9.956 -0.123 -5.378 1.00 0.00 C ATOM 857 CG LYS A 62 -11.390 -0.536 -5.752 1.00 0.00 C ATOM 858 CD LYS A 62 -12.255 -0.970 -4.555 1.00 0.00 C ATOM 859 CE LYS A 62 -13.110 0.170 -3.981 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.301 1.224 -3.346 1.00 0.00 N ATOM 0 H LYS A 62 -7.702 0.279 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.478 -1.836 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.003 0.582 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.517 0.408 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.877 0.300 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.345 -1.356 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.909 -1.785 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.608 -1.361 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.707 0.608 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.807 -0.238 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.928 1.967 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.750 0.815 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.653 1.635 -4.048 1.00 0.00 H new ATOM 874 N LYS A 63 -7.789 -2.107 -6.956 1.00 0.00 N ATOM 875 CA LYS A 63 -7.509 -2.994 -8.067 1.00 0.00 C ATOM 876 C LYS A 63 -7.076 -4.401 -7.607 1.00 0.00 C ATOM 877 O LYS A 63 -7.138 -5.340 -8.398 1.00 0.00 O ATOM 878 CB LYS A 63 -6.438 -2.329 -8.948 1.00 0.00 C ATOM 879 CG LYS A 63 -7.005 -1.803 -10.271 1.00 0.00 C ATOM 880 CD LYS A 63 -7.958 -0.622 -10.034 1.00 0.00 C ATOM 881 CE LYS A 63 -8.583 -0.135 -11.347 1.00 0.00 C ATOM 882 NZ LYS A 63 -7.579 0.456 -12.250 1.00 0.00 N ATOM 0 H LYS A 63 -7.119 -1.344 -6.858 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.423 -3.148 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.982 -1.505 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.647 -3.049 -9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.188 -1.490 -10.921 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.535 -2.604 -10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.746 -0.922 -9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.415 0.197 -9.562 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.073 -0.970 -11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.354 0.604 -11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.055 0.863 -13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.058 1.203 -11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.914 -0.281 -12.560 1.00 0.00 H new ATOM 896 N ALA A 64 -6.615 -4.554 -6.361 1.00 0.00 N ATOM 897 CA ALA A 64 -6.129 -5.806 -5.796 1.00 0.00 C ATOM 898 C ALA A 64 -7.225 -6.482 -4.963 1.00 0.00 C ATOM 899 O ALA A 64 -8.014 -5.814 -4.300 1.00 0.00 O ATOM 900 CB ALA A 64 -4.892 -5.491 -4.950 1.00 0.00 C ATOM 0 H ALA A 64 -6.571 -3.779 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.860 -6.505 -6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.506 -6.412 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.126 -5.039 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.163 -4.798 -4.154 1.00 0.00 H new ATOM 906 N SER A 65 -7.275 -7.817 -4.997 1.00 0.00 N ATOM 907 CA SER A 65 -8.241 -8.628 -4.262 1.00 0.00 C ATOM 908 C SER A 65 -7.683 -8.973 -2.877 1.00 0.00 C ATOM 909 O SER A 65 -6.514 -8.718 -2.610 1.00 0.00 O ATOM 910 CB SER A 65 -8.519 -9.886 -5.090 1.00 0.00 C ATOM 911 OG SER A 65 -7.288 -10.484 -5.454 1.00 0.00 O ATOM 0 H SER A 65 -6.626 -8.375 -5.552 1.00 0.00 H new ATOM 0 HA SER A 65 -9.174 -8.086 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.123 -10.588 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.091 -9.630 -5.982 1.00 0.00 H new ATOM 0 HG SER A 65 -7.460 -11.291 -5.983 1.00 0.00 H new ATOM 917 N ASP A 66 -8.484 -9.573 -1.987 1.00 0.00 N ATOM 918 CA ASP A 66 -8.033 -9.903 -0.633 1.00 0.00 C ATOM 919 C ASP A 66 -6.700 -10.658 -0.623 1.00 0.00 C ATOM 920 O ASP A 66 -5.801 -10.298 0.133 1.00 0.00 O ATOM 921 CB ASP A 66 -9.113 -10.674 0.133 1.00 0.00 C ATOM 922 CG ASP A 66 -8.659 -10.982 1.560 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.399 -10.009 2.303 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.575 -12.186 1.883 1.00 0.00 O ATOM 0 H ASP A 66 -9.449 -9.839 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.858 -8.957 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.033 -10.090 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.340 -11.604 -0.389 1.00 0.00 H new ATOM 929 N GLU A 67 -6.575 -11.694 -1.461 1.00 0.00 N ATOM 930 CA GLU A 67 -5.351 -12.481 -1.582 1.00 0.00 C ATOM 931 C GLU A 67 -4.159 -11.555 -1.807 1.00 0.00 C ATOM 932 O GLU A 67 -3.169 -11.578 -1.079 1.00 0.00 O ATOM 933 CB GLU A 67 -5.504 -13.502 -2.726 1.00 0.00 C ATOM 934 CG GLU A 67 -4.355 -14.524 -2.821 1.00 0.00 C ATOM 935 CD GLU A 67 -3.056 -13.976 -3.419 1.00 0.00 C ATOM 936 OE1 GLU A 67 -3.074 -13.599 -4.613 1.00 0.00 O ATOM 937 OE2 GLU A 67 -2.044 -13.975 -2.688 1.00 0.00 O ATOM 0 H GLU A 67 -7.326 -12.008 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.172 -13.033 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.443 -14.040 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.575 -12.963 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.145 -14.908 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.688 -15.369 -3.424 1.00 0.00 H new ATOM 944 N GLU A 68 -4.286 -10.729 -2.836 1.00 0.00 N ATOM 945 CA GLU A 68 -3.287 -9.802 -3.253 1.00 0.00 C ATOM 946 C GLU A 68 -2.975 -8.780 -2.164 1.00 0.00 C ATOM 947 O GLU A 68 -1.812 -8.509 -1.910 1.00 0.00 O ATOM 948 CB GLU A 68 -3.836 -9.098 -4.481 1.00 0.00 C ATOM 949 CG GLU A 68 -4.094 -9.944 -5.736 1.00 0.00 C ATOM 950 CD GLU A 68 -2.849 -10.540 -6.378 1.00 0.00 C ATOM 951 OE1 GLU A 68 -1.743 -10.369 -5.821 1.00 0.00 O ATOM 952 OE2 GLU A 68 -3.013 -11.227 -7.410 1.00 0.00 O ATOM 0 H GLU A 68 -5.126 -10.698 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.356 -10.326 -3.467 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.774 -8.619 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.141 -8.303 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.774 -10.755 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.604 -9.325 -6.474 1.00 0.00 H new ATOM 959 N LEU A 69 -3.991 -8.177 -1.549 1.00 0.00 N ATOM 960 CA LEU A 69 -3.852 -7.209 -0.491 1.00 0.00 C ATOM 961 C LEU A 69 -3.058 -7.822 0.671 1.00 0.00 C ATOM 962 O LEU A 69 -2.096 -7.217 1.150 1.00 0.00 O ATOM 963 CB LEU A 69 -5.271 -6.781 -0.105 1.00 0.00 C ATOM 964 CG LEU A 69 -5.992 -5.929 -1.171 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.491 -5.847 -0.859 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.469 -4.493 -1.260 1.00 0.00 C ATOM 0 H LEU A 69 -4.964 -8.364 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.289 -6.327 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.865 -7.673 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.226 -6.215 0.826 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.800 -6.428 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.988 -5.243 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.917 -6.850 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.634 -5.389 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.020 -3.952 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.604 -3.996 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.409 -4.507 -1.515 1.00 0.00 H new ATOM 978 N LYS A 70 -3.428 -9.034 1.106 1.00 0.00 N ATOM 979 CA LYS A 70 -2.689 -9.744 2.144 1.00 0.00 C ATOM 980 C LYS A 70 -1.244 -9.934 1.699 1.00 0.00 C ATOM 981 O LYS A 70 -0.311 -9.669 2.454 1.00 0.00 O ATOM 982 CB LYS A 70 -3.314 -11.118 2.436 1.00 0.00 C ATOM 983 CG LYS A 70 -4.638 -11.007 3.195 1.00 0.00 C ATOM 984 CD LYS A 70 -5.253 -12.369 3.543 1.00 0.00 C ATOM 985 CE LYS A 70 -5.517 -13.217 2.294 1.00 0.00 C ATOM 986 NZ LYS A 70 -6.413 -14.347 2.590 1.00 0.00 N ATOM 0 H LYS A 70 -4.239 -9.540 0.750 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.728 -9.148 3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.480 -11.646 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.613 -11.716 3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.476 -10.444 4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.347 -10.439 2.593 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.583 -12.909 4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.188 -12.217 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.959 -12.594 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.572 -13.593 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.202 -15.136 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.270 -14.655 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.401 -14.050 2.461 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.058 -10.399 0.466 1.00 0.00 N ATOM 1001 CA ALA A 71 0.269 -10.633 -0.062 1.00 0.00 C ATOM 1002 C ALA A 71 1.083 -9.349 -0.183 1.00 0.00 C ATOM 1003 O ALA A 71 2.286 -9.377 0.068 1.00 0.00 O ATOM 1004 CB ALA A 71 0.161 -11.365 -1.394 1.00 0.00 C ATOM 0 H ALA A 71 -1.815 -10.619 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 71 0.813 -11.260 0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.159 -11.542 -1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.345 -12.319 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.409 -10.758 -2.098 1.00 0.00 H new ATOM 1010 N LEU A 72 0.464 -8.223 -0.553 1.00 0.00 N ATOM 1011 CA LEU A 72 1.146 -6.961 -0.643 1.00 0.00 C ATOM 1012 C LEU A 72 1.646 -6.633 0.758 1.00 0.00 C ATOM 1013 O LEU A 72 2.828 -6.344 0.930 1.00 0.00 O ATOM 1014 CB LEU A 72 0.155 -5.927 -1.179 1.00 0.00 C ATOM 1015 CG LEU A 72 0.116 -5.814 -2.708 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -1.135 -5.015 -3.087 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.374 -5.105 -3.232 1.00 0.00 C ATOM 0 H LEU A 72 -0.526 -8.178 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 72 1.999 -6.975 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.843 -6.180 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.406 -4.952 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 72 0.086 -6.808 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.190 -4.918 -4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.022 -5.534 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.084 -4.024 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.326 -5.035 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.431 -4.103 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.259 -5.673 -2.943 1.00 0.00 H new ATOM 1029 N ALA A 73 0.756 -6.707 1.756 1.00 0.00 N ATOM 1030 CA ALA A 73 1.140 -6.481 3.140 1.00 0.00 C ATOM 1031 C ALA A 73 2.321 -7.376 3.530 1.00 0.00 C ATOM 1032 O ALA A 73 3.365 -6.867 3.936 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.066 -6.689 4.061 1.00 0.00 C ATOM 0 H ALA A 73 -0.232 -6.922 1.623 1.00 0.00 H new ATOM 0 HA ALA A 73 1.471 -5.449 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.232 -6.517 5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.856 -5.988 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.434 -7.709 3.954 1.00 0.00 H new ATOM 1039 N ASP A 74 2.179 -8.700 3.392 1.00 0.00 N ATOM 1040 CA ASP A 74 3.237 -9.645 3.731 1.00 0.00 C ATOM 1041 C ASP A 74 4.559 -9.267 3.059 1.00 0.00 C ATOM 1042 O ASP A 74 5.599 -9.238 3.712 1.00 0.00 O ATOM 1043 CB ASP A 74 2.825 -11.068 3.341 1.00 0.00 C ATOM 1044 CG ASP A 74 3.901 -12.067 3.756 1.00 0.00 C ATOM 1045 OD1 ASP A 74 3.870 -12.474 4.937 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.744 -12.398 2.894 1.00 0.00 O ATOM 0 H ASP A 74 1.328 -9.140 3.043 1.00 0.00 H new ATOM 0 HA ASP A 74 3.389 -9.605 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.879 -11.323 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.663 -11.124 2.265 1.00 0.00 H new ATOM 1051 N TYR A 75 4.516 -8.969 1.759 1.00 0.00 N ATOM 1052 CA TYR A 75 5.693 -8.578 1.003 1.00 0.00 C ATOM 1053 C TYR A 75 6.332 -7.328 1.619 1.00 0.00 C ATOM 1054 O TYR A 75 7.493 -7.356 2.023 1.00 0.00 O ATOM 1055 CB TYR A 75 5.304 -8.381 -0.468 1.00 0.00 C ATOM 1056 CG TYR A 75 6.462 -8.027 -1.376 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.323 -9.039 -1.838 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.712 -6.685 -1.717 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.439 -8.709 -2.626 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.823 -6.359 -2.512 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.685 -7.368 -2.966 1.00 0.00 C ATOM 1062 OH TYR A 75 9.751 -7.040 -3.749 1.00 0.00 O ATOM 0 H TYR A 75 3.659 -8.994 1.206 1.00 0.00 H new ATOM 0 HA TYR A 75 6.447 -9.364 1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.837 -9.295 -0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.554 -7.593 -0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.126 -10.071 -1.587 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.050 -5.906 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.107 -9.485 -2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.014 -5.329 -2.774 1.00 0.00 H new ATOM 0 HH TYR A 75 9.770 -6.070 -3.886 1.00 0.00 H new ATOM 1072 N MET A 76 5.576 -6.230 1.728 1.00 0.00 N ATOM 1073 CA MET A 76 6.052 -4.974 2.264 1.00 0.00 C ATOM 1074 C MET A 76 6.554 -5.092 3.705 1.00 0.00 C ATOM 1075 O MET A 76 7.412 -4.316 4.114 1.00 0.00 O ATOM 1076 CB MET A 76 4.929 -3.953 2.101 1.00 0.00 C ATOM 1077 CG MET A 76 5.089 -3.202 0.775 1.00 0.00 C ATOM 1078 SD MET A 76 3.700 -2.156 0.284 1.00 0.00 S ATOM 1079 CE MET A 76 2.543 -3.432 -0.200 1.00 0.00 C ATOM 0 H MET A 76 4.599 -6.201 1.437 1.00 0.00 H new ATOM 0 HA MET A 76 6.931 -4.644 1.710 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.963 -4.456 2.129 1.00 0.00 H new ATOM 0 HB3 MET A 76 4.945 -3.248 2.932 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.982 -2.580 0.838 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.265 -3.933 -0.015 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.680 -2.976 -0.684 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.028 -4.118 -0.894 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.216 -3.981 0.683 1.00 0.00 H new ATOM 1089 N SER A 77 6.047 -6.051 4.482 1.00 0.00 N ATOM 1090 CA SER A 77 6.522 -6.299 5.825 1.00 0.00 C ATOM 1091 C SER A 77 7.966 -6.807 5.853 1.00 0.00 C ATOM 1092 O SER A 77 8.597 -6.760 6.905 1.00 0.00 O ATOM 1093 CB SER A 77 5.625 -7.351 6.457 1.00 0.00 C ATOM 1094 OG SER A 77 4.302 -6.884 6.490 1.00 0.00 O ATOM 0 H SER A 77 5.294 -6.673 4.188 1.00 0.00 H new ATOM 0 HA SER A 77 6.495 -5.357 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.680 -8.279 5.888 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.967 -7.576 7.467 1.00 0.00 H new ATOM 0 HG SER A 77 3.902 -6.971 5.599 1.00 0.00 H new ATOM 1100 N LYS A 78 8.465 -7.342 4.734 1.00 0.00 N ATOM 1101 CA LYS A 78 9.788 -7.939 4.631 1.00 0.00 C ATOM 1102 C LYS A 78 10.576 -7.122 3.610 1.00 0.00 C ATOM 1103 O LYS A 78 11.174 -7.687 2.694 1.00 0.00 O ATOM 1104 CB LYS A 78 9.614 -9.395 4.162 1.00 0.00 C ATOM 1105 CG LYS A 78 8.715 -10.225 5.092 1.00 0.00 C ATOM 1106 CD LYS A 78 8.332 -11.545 4.414 1.00 0.00 C ATOM 1107 CE LYS A 78 7.402 -12.363 5.317 1.00 0.00 C ATOM 1108 NZ LYS A 78 6.893 -13.556 4.620 1.00 0.00 N ATOM 0 H LYS A 78 7.943 -7.369 3.858 1.00 0.00 H new ATOM 0 HA LYS A 78 10.321 -7.939 5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.190 -9.399 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.594 -9.869 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.235 -10.426 6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.816 -9.661 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.839 -11.342 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.231 -12.120 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.939 -12.666 6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.566 -11.742 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.483 -14.214 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.162 -13.273 3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.674 -14.024 4.118 1.00 0.00 H new ATOM 1122 N LEU A 79 10.558 -5.794 3.748 1.00 0.00 N ATOM 1123 CA LEU A 79 11.069 -4.888 2.766 1.00 0.00 C ATOM 1124 C LEU A 79 11.601 -3.643 3.470 1.00 0.00 C ATOM 1125 O LEU A 79 11.014 -3.306 4.523 1.00 0.00 O ATOM 1126 CB LEU A 79 9.824 -4.558 1.948 1.00 0.00 C ATOM 1127 CG LEU A 79 10.130 -3.891 0.626 1.00 0.00 C ATOM 1128 CD1 LEU A 79 11.050 -4.701 -0.296 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.802 -3.630 -0.090 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.558 -3.040 2.938 1.00 0.00 O ATOM 0 H LEU A 79 10.175 -5.328 4.570 1.00 0.00 H new ATOM 0 HA LEU A 79 11.885 -5.283 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.267 -5.476 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.176 -3.906 2.534 1.00 0.00 H new ATOM 0 HG LEU A 79 10.671 -2.972 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.216 -4.148 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.005 -4.872 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.584 -5.659 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.994 -3.148 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.286 -4.576 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.179 -2.980 0.524 1.00 0.00 H new TER 1142 LEU A 79 HETATM 1143 FE HEC A 80 0.742 3.801 -1.197 1.00 6.41 FE HETATM 1144 CHA HEC A 80 1.079 4.708 2.069 1.00 5.52 C HETATM 1145 CHB HEC A 80 0.146 0.556 -0.260 1.00 7.91 C HETATM 1146 CHC HEC A 80 0.746 2.896 -4.474 1.00 6.02 C HETATM 1147 CHD HEC A 80 0.695 7.112 -2.082 1.00 10.53 C HETATM 1148 NA HEC A 80 0.669 2.831 0.533 1.00 6.22 N HETATM 1149 C1A HEC A 80 0.875 3.364 1.791 1.00 6.23 C HETATM 1150 C2A HEC A 80 0.702 2.354 2.798 1.00 8.27 C HETATM 1151 C3A HEC A 80 0.271 1.243 2.160 1.00 7.07 C HETATM 1152 C4A HEC A 80 0.357 1.502 0.742 1.00 9.92 C HETATM 1153 CMA HEC A 80 -0.219 -0.029 2.766 1.00 7.00 C HETATM 1154 CAA HEC A 80 0.865 2.590 4.272 1.00 7.29 C HETATM 1155 CBA HEC A 80 -0.345 3.299 4.890 1.00 11.15 C HETATM 1156 CGA HEC A 80 -0.017 4.089 6.155 1.00 22.27 C HETATM 1157 O1A HEC A 80 1.128 4.500 6.317 1.00 18.65 O HETATM 1158 O2A HEC A 80 -0.921 4.292 6.958 1.00 17.21 O HETATM 1159 NB HEC A 80 0.530 2.057 -2.176 1.00 4.54 N HETATM 1160 C1B HEC A 80 0.253 0.814 -1.630 1.00 10.91 C HETATM 1161 C2B HEC A 80 0.106 -0.164 -2.692 1.00 5.88 C HETATM 1162 C3B HEC A 80 0.365 0.474 -3.866 1.00 -0.05 C HETATM 1163 C4B HEC A 80 0.564 1.873 -3.545 1.00 4.49 C HETATM 1164 CMB HEC A 80 -0.242 -1.616 -2.507 1.00 4.31 C HETATM 1165 CAB HEC A 80 0.445 -0.131 -5.254 1.00 6.35 C HETATM 1166 CBB HEC A 80 -0.767 -0.975 -5.670 1.00 6.48 C HETATM 1167 NC HEC A 80 0.817 4.800 -2.917 1.00 3.58 N HETATM 1168 C1C HEC A 80 0.824 4.253 -4.184 1.00 4.45 C HETATM 1169 C2C HEC A 80 0.974 5.289 -5.176 1.00 5.77 C HETATM 1170 C3C HEC A 80 1.107 6.464 -4.501 1.00 8.44 C HETATM 1171 C4C HEC A 80 0.868 6.170 -3.099 1.00 11.13 C HETATM 1172 CMC HEC A 80 1.051 5.033 -6.660 1.00 8.62 C HETATM 1173 CAC HEC A 80 1.467 7.818 -5.063 1.00 3.39 C HETATM 1174 CBC HEC A 80 0.286 8.512 -5.747 1.00 10.94 C HETATM 1175 ND HEC A 80 0.707 5.545 -0.192 1.00 4.28 N HETATM 1176 C1D HEC A 80 0.596 6.812 -0.724 1.00 5.02 C HETATM 1177 C2D HEC A 80 0.305 7.756 0.336 1.00 3.97 C HETATM 1178 C3D HEC A 80 0.374 7.081 1.516 1.00 5.11 C HETATM 1179 C4D HEC A 80 0.767 5.724 1.178 1.00 9.05 C HETATM 1180 CMD HEC A 80 -0.074 9.197 0.131 1.00 5.28 C HETATM 1181 CAD HEC A 80 -0.003 7.638 2.877 1.00 9.04 C HETATM 1182 CBD HEC A 80 0.406 6.925 4.177 1.00 6.36 C HETATM 1183 CGD HEC A 80 -0.107 7.725 5.363 1.00 6.46 C HETATM 1184 O1D HEC A 80 0.555 8.695 5.723 1.00 8.25 O HETATM 1185 O2D HEC A 80 -1.160 7.373 5.890 1.00 15.15 O HETATM 0 HMD3 HEC A 80 0.728 9.713 -0.397 1.00 5.28 H new HETATM 0 HMD2 HEC A 80 -0.990 9.252 -0.458 1.00 5.28 H new HETATM 0 HMD1 HEC A 80 -0.236 9.672 1.099 1.00 5.28 H new HETATM 0 HMC3 HEC A 80 1.908 4.394 -6.875 1.00 8.62 H new HETATM 0 HMC2 HEC A 80 0.138 4.539 -6.992 1.00 8.62 H new HETATM 0 HMC1 HEC A 80 1.163 5.980 -7.187 1.00 8.62 H new HETATM 0 HMB3 HEC A 80 0.517 -2.096 -1.890 1.00 4.31 H new HETATM 0 HMB2 HEC A 80 -1.212 -1.698 -2.017 1.00 4.31 H new HETATM 0 HMB1 HEC A 80 -0.283 -2.107 -3.479 1.00 4.31 H new HETATM 0 HMA3 HEC A 80 0.568 -0.466 3.381 1.00 7.00 H new HETATM 0 HMA2 HEC A 80 -1.092 0.176 3.385 1.00 7.00 H new HETATM 0 HMA1 HEC A 80 -0.491 -0.728 1.975 1.00 7.00 H new HETATM 0 HBD2 HEC A 80 -0.005 5.916 4.198 1.00 6.36 H new HETATM 0 HBD1 HEC A 80 1.491 6.829 4.228 1.00 6.36 H new HETATM 0 HBC3 HEC A 80 -0.071 7.895 -6.571 1.00 10.94 H new HETATM 0 HBC2 HEC A 80 -0.519 8.655 -5.026 1.00 10.94 H new HETATM 0 HBC1 HEC A 80 0.606 9.481 -6.131 1.00 10.94 H new HETATM 0 HBB3 HEC A 80 -0.887 -1.807 -4.976 1.00 6.48 H new HETATM 0 HBB2 HEC A 80 -1.664 -0.356 -5.653 1.00 6.48 H new HETATM 0 HBB1 HEC A 80 -0.612 -1.362 -6.677 1.00 6.48 H new HETATM 0 HBA2 HEC A 80 -0.774 3.976 4.151 1.00 11.15 H new HETATM 0 HBA1 HEC A 80 -1.109 2.557 5.124 1.00 11.15 H new HETATM 0 HAD2 HEC A 80 0.401 8.649 2.929 1.00 9.04 H new HETATM 0 HAD1 HEC A 80 -1.089 7.728 2.893 1.00 9.04 H new HETATM 0 HAA2 HEC A 80 1.018 1.635 4.775 1.00 7.29 H new HETATM 0 HAA1 HEC A 80 1.760 3.188 4.444 1.00 7.29 H new HETATM 0 HHD HEC A 80 0.633 8.161 -2.372 1.00 10.53 H new HETATM 0 HHC HEC A 80 0.835 2.606 -5.521 1.00 6.02 H new HETATM 0 HHB HEC A 80 -0.121 -0.456 0.046 1.00 7.91 H new HETATM 0 HHA HEC A 80 1.505 4.979 3.035 1.00 5.52 H new