USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 Set 1.1: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 76 ASN : amide:sc= -0.815 K(o=-0.81,f=-2.9!) USER MOD Set 2.1: A 28 ASN : amide:sc= -3.39 K(o=-3.4,f=-6.3) USER MOD Set 2.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 170:sc= -1.01 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -3.15 K(o=-3.2,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0325 USER MOD Single : A 22 LYS NZ :NH3+ -106:sc= -1.34 (180deg=-5.11!) USER MOD Single : A 24 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.18) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -27:sc= 0.17 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -55:sc= 0.82 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.17 K(o=-1.2,f=0) USER MOD Single : A 64 ASN : amide:sc= -7.04! C(o=-7!,f=-12!) USER MOD Single : A 65 THR OG1 : rot -132:sc= 0.58 USER MOD Single : A 67 GLN : amide:sc= 0.473 X(o=0.47,f=-0.0046) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -3.48 K(o=-3.5,f=-6.7) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= -0.0422 (180deg=-0.28) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.026 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 9.588 -4.438 -2.477 1.00 0.00 N ATOM 2 CA LEU A 1 9.172 -5.730 -3.013 1.00 0.00 C ATOM 3 C LEU A 1 7.681 -5.732 -3.333 1.00 0.00 C ATOM 4 O LEU A 1 6.845 -5.535 -2.450 1.00 0.00 O ATOM 5 CB LEU A 1 9.493 -6.845 -2.017 1.00 0.00 C ATOM 6 CG LEU A 1 10.977 -7.145 -1.800 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.449 -6.570 -0.473 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.231 -8.644 -1.854 1.00 0.00 C ATOM 0 H1 LEU A 1 10.606 -4.461 -2.267 1.00 0.00 H new ATOM 0 H2 LEU A 1 9.396 -3.693 -3.177 1.00 0.00 H new ATOM 0 H3 LEU A 1 9.059 -4.238 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 1 9.723 -5.907 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.051 -6.584 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.004 -7.759 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 1 11.545 -6.671 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.507 -6.793 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.303 -5.490 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.876 -7.015 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 1 12.292 -8.839 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.652 -9.139 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.931 -9.029 -2.829 1.00 0.00 H new ATOM 20 N LYS A 2 7.353 -5.957 -4.601 1.00 0.00 N ATOM 21 CA LYS A 2 5.962 -5.989 -5.038 1.00 0.00 C ATOM 22 C LYS A 2 5.296 -4.632 -4.833 1.00 0.00 C ATOM 23 O LYS A 2 4.165 -4.552 -4.356 1.00 0.00 O ATOM 24 CB LYS A 2 5.191 -7.068 -4.275 1.00 0.00 C ATOM 25 CG LYS A 2 3.901 -7.491 -4.958 1.00 0.00 C ATOM 26 CD LYS A 2 4.174 -8.271 -6.232 1.00 0.00 C ATOM 27 CE LYS A 2 4.010 -9.768 -6.016 1.00 0.00 C ATOM 28 NZ LYS A 2 5.158 -10.538 -6.570 1.00 0.00 N ATOM 0 H LYS A 2 8.032 -6.120 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 2 5.947 -6.224 -6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.831 -7.942 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.959 -6.699 -3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.311 -8.102 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.306 -6.608 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.493 -7.939 -7.016 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.186 -8.061 -6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.916 -9.973 -4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.086 -10.104 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.008 -11.553 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.232 -10.363 -7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.036 -10.236 -6.102 1.00 0.00 H new ATOM 42 N SER A 3 6.006 -3.569 -5.197 1.00 0.00 N ATOM 43 CA SER A 3 5.484 -2.215 -5.051 1.00 0.00 C ATOM 44 C SER A 3 4.870 -1.725 -6.359 1.00 0.00 C ATOM 45 O SER A 3 3.680 -1.412 -6.422 1.00 0.00 O ATOM 46 CB SER A 3 6.595 -1.262 -4.607 1.00 0.00 C ATOM 47 OG SER A 3 7.423 -1.865 -3.627 1.00 0.00 O ATOM 0 H SER A 3 6.944 -3.619 -5.595 1.00 0.00 H new ATOM 0 HA SER A 3 4.705 -2.233 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.197 -0.974 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.156 -0.349 -4.205 1.00 0.00 H new ATOM 0 HG SER A 3 8.126 -1.236 -3.361 1.00 0.00 H new ATOM 53 N THR A 4 5.691 -1.660 -7.403 1.00 0.00 N ATOM 54 CA THR A 4 5.231 -1.208 -8.709 1.00 0.00 C ATOM 55 C THR A 4 3.978 -1.961 -9.143 1.00 0.00 C ATOM 56 O THR A 4 3.115 -1.409 -9.826 1.00 0.00 O ATOM 57 CB THR A 4 6.321 -1.388 -9.782 1.00 0.00 C ATOM 58 OG1 THR A 4 5.925 -0.743 -10.997 1.00 0.00 O ATOM 59 CG2 THR A 4 6.581 -2.864 -10.047 1.00 0.00 C ATOM 0 H THR A 4 6.678 -1.915 -7.368 1.00 0.00 H new ATOM 0 HA THR A 4 4.999 -0.148 -8.611 1.00 0.00 H new ATOM 0 HB THR A 4 7.240 -0.933 -9.413 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.683 -0.722 -11.618 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.354 -2.966 -10.808 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.911 -3.346 -9.127 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.664 -3.338 -10.396 1.00 0.00 H new ATOM 67 N PHE A 5 3.884 -3.224 -8.740 1.00 0.00 N ATOM 68 CA PHE A 5 2.735 -4.053 -9.088 1.00 0.00 C ATOM 69 C PHE A 5 1.429 -3.308 -8.831 1.00 0.00 C ATOM 70 O PHE A 5 0.457 -3.464 -9.571 1.00 0.00 O ATOM 71 CB PHE A 5 2.759 -5.355 -8.285 1.00 0.00 C ATOM 72 CG PHE A 5 1.642 -6.296 -8.637 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.210 -6.420 -9.948 1.00 0.00 C ATOM 74 CD2 PHE A 5 1.025 -7.058 -7.658 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.182 -7.285 -10.274 1.00 0.00 C ATOM 76 CE2 PHE A 5 -0.003 -7.924 -7.978 1.00 0.00 C ATOM 77 CZ PHE A 5 -0.424 -8.039 -9.288 1.00 0.00 C ATOM 0 H PHE A 5 4.589 -3.696 -8.173 1.00 0.00 H new ATOM 0 HA PHE A 5 2.795 -4.287 -10.151 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.712 -5.857 -8.450 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.703 -5.119 -7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.682 -5.835 -10.723 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.352 -6.974 -6.632 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.147 -7.371 -11.299 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.477 -8.510 -7.204 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.226 -8.717 -9.541 1.00 0.00 H new ATOM 87 N ASP A 6 1.414 -2.498 -7.778 1.00 0.00 N ATOM 88 CA ASP A 6 0.228 -1.728 -7.423 1.00 0.00 C ATOM 89 C ASP A 6 -0.220 -0.851 -8.588 1.00 0.00 C ATOM 90 O ASP A 6 -1.205 -1.152 -9.262 1.00 0.00 O ATOM 91 CB ASP A 6 0.505 -0.861 -6.193 1.00 0.00 C ATOM 92 CG ASP A 6 0.674 -1.684 -4.931 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.750 -2.926 -5.038 1.00 0.00 O ATOM 94 OD2 ASP A 6 0.731 -1.085 -3.837 1.00 0.00 O ATOM 0 H ASP A 6 2.210 -2.358 -7.156 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.573 -2.429 -7.190 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.406 -0.272 -6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.315 -0.156 -6.057 1.00 0.00 H new ATOM 99 N ASP A 7 0.509 0.236 -8.818 1.00 0.00 N ATOM 100 CA ASP A 7 0.187 1.157 -9.902 1.00 0.00 C ATOM 101 C ASP A 7 -0.028 0.403 -11.211 1.00 0.00 C ATOM 102 O ASP A 7 -0.881 0.771 -12.018 1.00 0.00 O ATOM 103 CB ASP A 7 1.303 2.189 -10.071 1.00 0.00 C ATOM 104 CG ASP A 7 1.226 3.299 -9.042 1.00 0.00 C ATOM 105 OD1 ASP A 7 0.100 3.740 -8.727 1.00 0.00 O ATOM 106 OD2 ASP A 7 2.291 3.726 -8.549 1.00 0.00 O ATOM 0 H ASP A 7 1.327 0.501 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.738 1.672 -9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.269 1.691 -9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.247 2.620 -11.071 1.00 0.00 H new ATOM 111 N ILE A 8 0.753 -0.653 -11.414 1.00 0.00 N ATOM 112 CA ILE A 8 0.648 -1.459 -12.624 1.00 0.00 C ATOM 113 C ILE A 8 -0.710 -2.148 -12.709 1.00 0.00 C ATOM 114 O ILE A 8 -1.305 -2.241 -13.783 1.00 0.00 O ATOM 115 CB ILE A 8 1.758 -2.525 -12.689 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.031 -1.930 -13.294 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.292 -3.726 -13.499 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.302 -2.461 -12.669 1.00 0.00 C ATOM 0 H ILE A 8 1.465 -0.970 -10.756 1.00 0.00 H new ATOM 0 HA ILE A 8 0.761 -0.778 -13.468 1.00 0.00 H new ATOM 0 HB ILE A 8 1.981 -2.859 -11.676 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.047 -2.139 -14.364 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.005 -0.846 -13.181 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.087 -4.471 -13.536 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.409 -4.161 -13.030 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.045 -3.408 -14.512 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.164 -1.996 -13.147 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.308 -2.229 -11.604 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.351 -3.541 -12.805 1.00 0.00 H new ATOM 130 N LYS A 9 -1.195 -2.630 -11.570 1.00 0.00 N ATOM 131 CA LYS A 9 -2.484 -3.309 -11.513 1.00 0.00 C ATOM 132 C LYS A 9 -3.621 -2.347 -11.841 1.00 0.00 C ATOM 133 O LYS A 9 -4.679 -2.758 -12.316 1.00 0.00 O ATOM 134 CB LYS A 9 -2.702 -3.919 -10.127 1.00 0.00 C ATOM 135 CG LYS A 9 -3.557 -3.059 -9.212 1.00 0.00 C ATOM 136 CD LYS A 9 -3.336 -3.410 -7.750 1.00 0.00 C ATOM 137 CE LYS A 9 -3.597 -2.216 -6.845 1.00 0.00 C ATOM 138 NZ LYS A 9 -4.183 -2.627 -5.539 1.00 0.00 N ATOM 0 H LYS A 9 -0.714 -2.563 -10.673 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.479 -4.106 -12.257 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.173 -4.895 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.733 -4.085 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.321 -2.007 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.609 -3.192 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.994 -4.232 -7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.313 -3.758 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.663 -1.681 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.274 -1.523 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.346 -1.785 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.087 -3.115 -5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.526 -3.268 -5.050 1.00 0.00 H new ATOM 152 N LYS A 10 -3.394 -1.062 -11.587 1.00 0.00 N ATOM 153 CA LYS A 10 -4.397 -0.040 -11.858 1.00 0.00 C ATOM 154 C LYS A 10 -4.450 0.290 -13.347 1.00 0.00 C ATOM 155 O LYS A 10 -5.521 0.284 -13.955 1.00 0.00 O ATOM 156 CB LYS A 10 -4.094 1.227 -11.055 1.00 0.00 C ATOM 157 CG LYS A 10 -3.529 0.950 -9.673 1.00 0.00 C ATOM 158 CD LYS A 10 -3.563 2.191 -8.797 1.00 0.00 C ATOM 159 CE LYS A 10 -4.580 2.054 -7.675 1.00 0.00 C ATOM 160 NZ LYS A 10 -3.964 1.516 -6.430 1.00 0.00 N ATOM 0 H LYS A 10 -2.524 -0.704 -11.194 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.368 -0.431 -11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.385 1.839 -11.612 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.009 1.811 -10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.101 0.153 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.502 0.595 -9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.574 2.366 -8.374 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.807 3.061 -9.406 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.026 3.027 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.387 1.395 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.690 1.438 -5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.561 0.576 -6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.211 2.158 -6.110 1.00 0.00 H new ATOM 174 N ILE A 11 -3.290 0.576 -13.926 1.00 0.00 N ATOM 175 CA ILE A 11 -3.205 0.906 -15.343 1.00 0.00 C ATOM 176 C ILE A 11 -3.692 -0.253 -16.207 1.00 0.00 C ATOM 177 O ILE A 11 -4.369 -0.047 -17.215 1.00 0.00 O ATOM 178 CB ILE A 11 -1.764 1.266 -15.752 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.805 0.136 -15.371 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.339 2.572 -15.099 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.646 0.455 -15.653 1.00 0.00 C ATOM 0 H ILE A 11 -2.395 0.586 -13.436 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.847 1.772 -15.505 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.731 1.396 -16.834 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.920 -0.085 -14.310 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.083 -0.765 -15.917 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.319 2.813 -15.398 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.008 3.372 -15.416 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.385 2.469 -14.015 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.268 -0.390 -15.358 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.776 0.647 -16.718 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.941 1.338 -15.086 1.00 0.00 H new ATOM 193 N ILE A 12 -3.344 -1.470 -15.805 1.00 0.00 N ATOM 194 CA ILE A 12 -3.749 -2.662 -16.541 1.00 0.00 C ATOM 195 C ILE A 12 -5.215 -2.993 -16.286 1.00 0.00 C ATOM 196 O ILE A 12 -5.870 -3.632 -17.110 1.00 0.00 O ATOM 197 CB ILE A 12 -2.886 -3.879 -16.160 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.128 -4.266 -14.699 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.413 -3.579 -16.396 1.00 0.00 C ATOM 200 CD1 ILE A 12 -3.890 -5.562 -14.536 1.00 0.00 C ATOM 0 H ILE A 12 -2.783 -1.657 -14.974 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.607 -2.443 -17.599 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.172 -4.720 -16.792 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.168 -4.352 -14.190 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.679 -3.465 -14.206 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.816 -4.449 -16.122 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.253 -3.346 -17.449 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.113 -2.727 -15.786 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.025 -5.774 -13.475 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.865 -5.474 -15.015 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.330 -6.374 -15.000 1.00 0.00 H new ATOM 212 N SER A 13 -5.726 -2.553 -15.141 1.00 0.00 N ATOM 213 CA SER A 13 -7.115 -2.804 -14.776 1.00 0.00 C ATOM 214 C SER A 13 -8.051 -1.852 -15.515 1.00 0.00 C ATOM 215 O SER A 13 -9.237 -2.136 -15.685 1.00 0.00 O ATOM 216 CB SER A 13 -7.304 -2.653 -13.266 1.00 0.00 C ATOM 217 OG SER A 13 -8.678 -2.598 -12.926 1.00 0.00 O ATOM 0 H SER A 13 -5.198 -2.020 -14.449 1.00 0.00 H new ATOM 0 HA SER A 13 -7.361 -3.826 -15.065 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.832 -3.491 -12.752 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.805 -1.747 -12.923 1.00 0.00 H new ATOM 0 HG SER A 13 -8.771 -2.503 -11.955 1.00 0.00 H new ATOM 223 N LYS A 14 -7.510 -0.720 -15.951 1.00 0.00 N ATOM 224 CA LYS A 14 -8.294 0.275 -16.673 1.00 0.00 C ATOM 225 C LYS A 14 -7.963 0.253 -18.161 1.00 0.00 C ATOM 226 O LYS A 14 -8.760 0.695 -18.989 1.00 0.00 O ATOM 227 CB LYS A 14 -8.033 1.671 -16.102 1.00 0.00 C ATOM 228 CG LYS A 14 -6.685 2.248 -16.498 1.00 0.00 C ATOM 229 CD LYS A 14 -6.832 3.349 -17.534 1.00 0.00 C ATOM 230 CE LYS A 14 -7.366 4.631 -16.914 1.00 0.00 C ATOM 231 NZ LYS A 14 -6.523 5.809 -17.263 1.00 0.00 N ATOM 0 H LYS A 14 -6.531 -0.468 -15.817 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.349 0.030 -16.550 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.820 2.345 -16.439 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.095 1.627 -15.015 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.184 2.643 -15.614 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.052 1.455 -16.896 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.866 3.544 -17.999 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.505 3.018 -18.325 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.387 4.801 -17.255 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.406 4.521 -15.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.920 6.663 -16.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.554 5.658 -16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.505 5.929 -18.296 1.00 0.00 H new ATOM 245 N GLN A 15 -6.785 -0.264 -18.494 1.00 0.00 N ATOM 246 CA GLN A 15 -6.351 -0.344 -19.884 1.00 0.00 C ATOM 247 C GLN A 15 -6.498 -1.764 -20.419 1.00 0.00 C ATOM 248 O GLN A 15 -7.081 -1.981 -21.482 1.00 0.00 O ATOM 249 CB GLN A 15 -4.898 0.115 -20.013 1.00 0.00 C ATOM 250 CG GLN A 15 -4.563 0.697 -21.377 1.00 0.00 C ATOM 251 CD GLN A 15 -5.203 -0.076 -22.514 1.00 0.00 C ATOM 252 OE1 GLN A 15 -6.108 0.421 -23.185 1.00 0.00 O ATOM 253 NE2 GLN A 15 -4.734 -1.298 -22.738 1.00 0.00 N ATOM 0 H GLN A 15 -6.114 -0.634 -17.821 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.987 0.315 -20.476 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.693 0.863 -19.247 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.240 -0.731 -19.816 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.894 1.735 -21.416 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -3.481 0.702 -21.510 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.983 -1.670 -22.157 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.125 -1.864 -23.491 1.00 0.00 H new ATOM 262 N LEU A 16 -5.966 -2.729 -19.677 1.00 0.00 N ATOM 263 CA LEU A 16 -6.038 -4.130 -20.077 1.00 0.00 C ATOM 264 C LEU A 16 -7.255 -4.811 -19.461 1.00 0.00 C ATOM 265 O LEU A 16 -7.392 -6.033 -19.519 1.00 0.00 O ATOM 266 CB LEU A 16 -4.763 -4.865 -19.661 1.00 0.00 C ATOM 267 CG LEU A 16 -3.577 -4.748 -20.619 1.00 0.00 C ATOM 268 CD1 LEU A 16 -2.277 -5.082 -19.903 1.00 0.00 C ATOM 269 CD2 LEU A 16 -3.773 -5.656 -21.824 1.00 0.00 C ATOM 0 H LEU A 16 -5.480 -2.567 -18.795 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.135 -4.168 -21.162 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.454 -4.491 -18.685 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.001 -5.921 -19.537 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.519 -3.718 -20.971 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.444 -4.993 -20.601 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.131 -4.390 -19.073 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.324 -6.102 -19.521 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.919 -5.560 -22.495 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.857 -6.690 -21.490 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.683 -5.370 -22.351 1.00 0.00 H new ATOM 281 N SER A 17 -8.139 -4.011 -18.872 1.00 0.00 N ATOM 282 CA SER A 17 -9.345 -4.536 -18.243 1.00 0.00 C ATOM 283 C SER A 17 -9.005 -5.295 -16.964 1.00 0.00 C ATOM 284 O SER A 17 -9.270 -4.823 -15.859 1.00 0.00 O ATOM 285 CB SER A 17 -10.092 -5.456 -19.211 1.00 0.00 C ATOM 286 OG SER A 17 -10.087 -4.925 -20.525 1.00 0.00 O ATOM 0 H SER A 17 -8.042 -2.997 -18.818 1.00 0.00 H new ATOM 0 HA SER A 17 -9.986 -3.693 -17.985 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.628 -6.442 -19.212 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.120 -5.588 -18.873 1.00 0.00 H new ATOM 0 HG SER A 17 -10.569 -5.532 -21.125 1.00 0.00 H new ATOM 292 N VAL A 18 -8.415 -6.476 -17.123 1.00 0.00 N ATOM 293 CA VAL A 18 -8.036 -7.301 -15.983 1.00 0.00 C ATOM 294 C VAL A 18 -6.936 -8.287 -16.359 1.00 0.00 C ATOM 295 O VAL A 18 -7.168 -9.234 -17.109 1.00 0.00 O ATOM 296 CB VAL A 18 -9.242 -8.082 -15.429 1.00 0.00 C ATOM 297 CG1 VAL A 18 -10.075 -7.199 -14.512 1.00 0.00 C ATOM 298 CG2 VAL A 18 -10.089 -8.630 -16.568 1.00 0.00 C ATOM 0 H VAL A 18 -8.189 -6.882 -18.031 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.666 -6.624 -15.213 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.871 -8.923 -14.844 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.923 -7.768 -14.130 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.461 -6.859 -13.678 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.439 -6.336 -15.070 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.937 -9.179 -16.159 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.452 -7.805 -17.181 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.485 -9.299 -17.181 1.00 0.00 H new ATOM 308 N GLU A 19 -5.737 -8.058 -15.832 1.00 0.00 N ATOM 309 CA GLU A 19 -4.600 -8.927 -16.114 1.00 0.00 C ATOM 310 C GLU A 19 -3.603 -8.910 -14.959 1.00 0.00 C ATOM 311 O GLU A 19 -2.434 -9.253 -15.130 1.00 0.00 O ATOM 312 CB GLU A 19 -3.907 -8.493 -17.407 1.00 0.00 C ATOM 313 CG GLU A 19 -4.824 -8.489 -18.618 1.00 0.00 C ATOM 314 CD GLU A 19 -4.061 -8.444 -19.928 1.00 0.00 C ATOM 315 OE1 GLU A 19 -2.817 -8.353 -19.887 1.00 0.00 O ATOM 316 OE2 GLU A 19 -4.710 -8.500 -20.994 1.00 0.00 O ATOM 0 H GLU A 19 -5.528 -7.279 -15.208 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.973 -9.944 -16.234 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.495 -7.493 -17.270 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.067 -9.160 -17.600 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.451 -9.381 -18.597 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.491 -7.629 -18.561 1.00 0.00 H new ATOM 323 N GLU A 20 -4.076 -8.509 -13.783 1.00 0.00 N ATOM 324 CA GLU A 20 -3.225 -8.446 -12.600 1.00 0.00 C ATOM 325 C GLU A 20 -2.865 -9.847 -12.114 1.00 0.00 C ATOM 326 O GLU A 20 -2.019 -10.013 -11.234 1.00 0.00 O ATOM 327 CB GLU A 20 -3.925 -7.671 -11.482 1.00 0.00 C ATOM 328 CG GLU A 20 -5.336 -8.157 -11.195 1.00 0.00 C ATOM 329 CD GLU A 20 -5.745 -7.942 -9.751 1.00 0.00 C ATOM 330 OE1 GLU A 20 -5.189 -7.027 -9.107 1.00 0.00 O ATOM 331 OE2 GLU A 20 -6.620 -8.689 -9.264 1.00 0.00 O ATOM 0 H GLU A 20 -5.042 -8.223 -13.624 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.306 -7.927 -12.872 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.331 -7.748 -10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.961 -6.615 -11.751 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.036 -7.636 -11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.406 -9.218 -11.434 1.00 0.00 H new ATOM 338 N ASP A 21 -3.513 -10.852 -12.692 1.00 0.00 N ATOM 339 CA ASP A 21 -3.262 -12.240 -12.320 1.00 0.00 C ATOM 340 C ASP A 21 -2.438 -12.949 -13.390 1.00 0.00 C ATOM 341 O ASP A 21 -2.766 -14.060 -13.806 1.00 0.00 O ATOM 342 CB ASP A 21 -4.583 -12.979 -12.101 1.00 0.00 C ATOM 343 CG ASP A 21 -4.381 -14.370 -11.534 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.912 -14.480 -10.382 1.00 0.00 O ATOM 345 OD2 ASP A 21 -4.692 -15.350 -12.243 1.00 0.00 O ATOM 0 H ASP A 21 -4.217 -10.732 -13.421 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.695 -12.244 -11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.211 -12.401 -11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.118 -13.050 -13.048 1.00 0.00 H new ATOM 350 N LYS A 22 -1.367 -12.299 -13.832 1.00 0.00 N ATOM 351 CA LYS A 22 -0.495 -12.867 -14.854 1.00 0.00 C ATOM 352 C LYS A 22 0.604 -11.882 -15.239 1.00 0.00 C ATOM 353 O LYS A 22 1.701 -12.284 -15.629 1.00 0.00 O ATOM 354 CB LYS A 22 -1.309 -13.249 -16.093 1.00 0.00 C ATOM 355 CG LYS A 22 -2.448 -12.291 -16.392 1.00 0.00 C ATOM 356 CD LYS A 22 -2.379 -11.769 -17.817 1.00 0.00 C ATOM 357 CE LYS A 22 -2.438 -12.903 -18.829 1.00 0.00 C ATOM 358 NZ LYS A 22 -1.099 -13.201 -19.409 1.00 0.00 N ATOM 0 H LYS A 22 -1.082 -11.378 -13.499 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.029 -13.762 -14.443 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.644 -13.290 -16.956 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.715 -14.251 -15.956 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.401 -12.797 -16.235 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.413 -11.454 -15.695 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.204 -11.079 -17.993 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.457 -11.205 -17.955 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.833 -13.798 -18.348 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.130 -12.640 -19.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.056 -12.843 -20.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.363 -12.740 -18.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.942 -14.229 -19.411 1.00 0.00 H new ATOM 372 N ILE A 23 0.304 -10.593 -15.126 1.00 0.00 N ATOM 373 CA ILE A 23 1.268 -9.552 -15.460 1.00 0.00 C ATOM 374 C ILE A 23 2.541 -9.696 -14.633 1.00 0.00 C ATOM 375 O ILE A 23 3.592 -9.170 -14.998 1.00 0.00 O ATOM 376 CB ILE A 23 0.680 -8.147 -15.236 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.988 -7.244 -16.433 1.00 0.00 C ATOM 378 CG2 ILE A 23 1.229 -7.541 -13.954 1.00 0.00 C ATOM 379 CD1 ILE A 23 2.463 -7.150 -16.754 1.00 0.00 C ATOM 0 H ILE A 23 -0.599 -10.244 -14.806 1.00 0.00 H new ATOM 0 HA ILE A 23 1.508 -9.672 -16.516 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.402 -8.234 -15.139 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.457 -7.620 -17.308 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.604 -6.244 -16.232 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.804 -6.548 -13.810 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.963 -8.176 -13.109 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.314 -7.465 -14.023 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.607 -6.494 -17.613 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.997 -6.745 -15.894 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.849 -8.143 -16.987 1.00 0.00 H new ATOM 391 N GLN A 24 2.438 -10.412 -13.518 1.00 0.00 N ATOM 392 CA GLN A 24 3.581 -10.626 -12.639 1.00 0.00 C ATOM 393 C GLN A 24 4.326 -11.902 -13.016 1.00 0.00 C ATOM 394 O GLN A 24 4.781 -12.646 -12.147 1.00 0.00 O ATOM 395 CB GLN A 24 3.125 -10.699 -11.181 1.00 0.00 C ATOM 396 CG GLN A 24 2.388 -11.984 -10.838 1.00 0.00 C ATOM 397 CD GLN A 24 0.948 -11.741 -10.432 1.00 0.00 C ATOM 398 OE1 GLN A 24 0.648 -11.549 -9.253 1.00 0.00 O ATOM 399 NE2 GLN A 24 0.048 -11.747 -11.408 1.00 0.00 N ATOM 0 H GLN A 24 1.575 -10.854 -13.202 1.00 0.00 H new ATOM 0 HA GLN A 24 4.260 -9.782 -12.757 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.995 -10.605 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.476 -9.850 -10.969 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.411 -12.652 -11.699 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.909 -12.492 -10.027 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.341 -11.910 -12.371 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.937 -11.588 -11.195 1.00 0.00 H new ATOM 408 N MET A 25 4.447 -12.149 -14.316 1.00 0.00 N ATOM 409 CA MET A 25 5.138 -13.336 -14.807 1.00 0.00 C ATOM 410 C MET A 25 6.645 -13.208 -14.611 1.00 0.00 C ATOM 411 O MET A 25 7.392 -14.160 -14.830 1.00 0.00 O ATOM 412 CB MET A 25 4.822 -13.560 -16.287 1.00 0.00 C ATOM 413 CG MET A 25 3.882 -14.728 -16.537 1.00 0.00 C ATOM 414 SD MET A 25 4.716 -16.323 -16.444 1.00 0.00 S ATOM 415 CE MET A 25 3.451 -17.406 -17.104 1.00 0.00 C ATOM 0 H MET A 25 4.076 -11.544 -15.048 1.00 0.00 H new ATOM 0 HA MET A 25 4.787 -14.194 -14.234 1.00 0.00 H new ATOM 0 HB2 MET A 25 4.378 -12.653 -16.697 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.753 -13.731 -16.827 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.074 -14.702 -15.806 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.426 -14.618 -17.521 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.818 -18.432 -17.111 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.558 -17.344 -16.482 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.206 -17.101 -18.121 1.00 0.00 H new ATOM 425 N ASN A 26 7.085 -12.024 -14.196 1.00 0.00 N ATOM 426 CA ASN A 26 8.504 -11.772 -13.971 1.00 0.00 C ATOM 427 C ASN A 26 9.291 -11.895 -15.272 1.00 0.00 C ATOM 428 O ASN A 26 10.491 -12.168 -15.260 1.00 0.00 O ATOM 429 CB ASN A 26 9.058 -12.748 -12.932 1.00 0.00 C ATOM 430 CG ASN A 26 9.941 -12.062 -11.907 1.00 0.00 C ATOM 431 OD1 ASN A 26 11.124 -11.826 -12.150 1.00 0.00 O ATOM 432 ND2 ASN A 26 9.367 -11.740 -10.754 1.00 0.00 N ATOM 0 H ASN A 26 6.480 -11.225 -14.009 1.00 0.00 H new ATOM 0 HA ASN A 26 8.612 -10.754 -13.597 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.230 -13.241 -12.422 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.630 -13.526 -13.437 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.911 -11.277 -10.025 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.382 -11.955 -10.597 1.00 0.00 H new ATOM 439 N SER A 27 8.607 -11.691 -16.393 1.00 0.00 N ATOM 440 CA SER A 27 9.241 -11.782 -17.703 1.00 0.00 C ATOM 441 C SER A 27 9.146 -10.453 -18.447 1.00 0.00 C ATOM 442 O SER A 27 10.122 -9.711 -18.539 1.00 0.00 O ATOM 443 CB SER A 27 8.590 -12.891 -18.532 1.00 0.00 C ATOM 444 OG SER A 27 9.233 -14.135 -18.315 1.00 0.00 O ATOM 0 H SER A 27 7.614 -11.462 -16.420 1.00 0.00 H new ATOM 0 HA SER A 27 10.294 -12.020 -17.553 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.535 -12.973 -18.271 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.637 -12.634 -19.590 1.00 0.00 H new ATOM 0 HG SER A 27 8.797 -14.827 -18.855 1.00 0.00 H new ATOM 450 N ASN A 28 7.962 -10.162 -18.975 1.00 0.00 N ATOM 451 CA ASN A 28 7.739 -8.923 -19.712 1.00 0.00 C ATOM 452 C ASN A 28 6.293 -8.457 -19.566 1.00 0.00 C ATOM 453 O ASN A 28 5.475 -9.125 -18.933 1.00 0.00 O ATOM 454 CB ASN A 28 8.078 -9.116 -21.191 1.00 0.00 C ATOM 455 CG ASN A 28 9.525 -8.784 -21.500 1.00 0.00 C ATOM 456 OD1 ASN A 28 9.861 -7.637 -21.793 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.389 -9.791 -21.437 1.00 0.00 N ATOM 0 H ASN A 28 7.143 -10.766 -18.907 1.00 0.00 H new ATOM 0 HA ASN A 28 8.393 -8.158 -19.294 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.876 -10.149 -21.476 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.426 -8.486 -21.796 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.376 -9.629 -21.636 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.065 -10.726 -21.190 1.00 0.00 H new ATOM 464 N PHE A 29 5.985 -7.308 -20.158 1.00 0.00 N ATOM 465 CA PHE A 29 4.638 -6.752 -20.095 1.00 0.00 C ATOM 466 C PHE A 29 3.886 -7.000 -21.399 1.00 0.00 C ATOM 467 O PHE A 29 2.665 -7.165 -21.404 1.00 0.00 O ATOM 468 CB PHE A 29 4.696 -5.251 -19.804 1.00 0.00 C ATOM 469 CG PHE A 29 4.443 -4.909 -18.363 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.298 -5.360 -17.370 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.351 -4.137 -18.002 1.00 0.00 C ATOM 472 CE1 PHE A 29 5.066 -5.048 -16.044 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.115 -3.821 -16.678 1.00 0.00 C ATOM 474 CZ PHE A 29 3.974 -4.277 -15.697 1.00 0.00 C ATOM 0 H PHE A 29 6.650 -6.744 -20.687 1.00 0.00 H new ATOM 0 HA PHE A 29 4.103 -7.251 -19.287 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.676 -4.871 -20.093 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.960 -4.740 -20.425 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.155 -5.962 -17.635 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.676 -3.778 -18.765 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.739 -5.407 -15.279 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.260 -3.218 -16.410 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.792 -4.031 -14.661 1.00 0.00 H new ATOM 484 N THR A 30 4.622 -7.025 -22.505 1.00 0.00 N ATOM 485 CA THR A 30 4.026 -7.251 -23.816 1.00 0.00 C ATOM 486 C THR A 30 4.608 -8.494 -24.477 1.00 0.00 C ATOM 487 O THR A 30 4.040 -9.026 -25.432 1.00 0.00 O ATOM 488 CB THR A 30 4.239 -6.041 -24.745 1.00 0.00 C ATOM 489 OG1 THR A 30 3.494 -6.217 -25.956 1.00 0.00 O ATOM 490 CG2 THR A 30 5.714 -5.863 -25.073 1.00 0.00 C ATOM 0 H THR A 30 5.633 -6.891 -22.519 1.00 0.00 H new ATOM 0 HA THR A 30 2.957 -7.394 -23.658 1.00 0.00 H new ATOM 0 HB THR A 30 3.888 -5.148 -24.228 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.382 -7.174 -26.135 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.839 -5.003 -25.730 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.275 -5.701 -24.152 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.086 -6.758 -25.572 1.00 0.00 H new ATOM 498 N LYS A 31 5.744 -8.956 -23.965 1.00 0.00 N ATOM 499 CA LYS A 31 6.403 -10.139 -24.504 1.00 0.00 C ATOM 500 C LYS A 31 5.927 -11.400 -23.790 1.00 0.00 C ATOM 501 O LYS A 31 5.795 -12.459 -24.403 1.00 0.00 O ATOM 502 CB LYS A 31 7.922 -10.007 -24.372 1.00 0.00 C ATOM 503 CG LYS A 31 8.418 -8.575 -24.466 1.00 0.00 C ATOM 504 CD LYS A 31 9.927 -8.519 -24.644 1.00 0.00 C ATOM 505 CE LYS A 31 10.439 -7.087 -24.605 1.00 0.00 C ATOM 506 NZ LYS A 31 11.884 -7.025 -24.249 1.00 0.00 N ATOM 0 H LYS A 31 6.228 -8.528 -23.176 1.00 0.00 H new ATOM 0 HA LYS A 31 6.142 -10.220 -25.559 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.233 -10.429 -23.416 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.399 -10.600 -25.152 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.933 -8.075 -25.304 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.136 -8.031 -23.564 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.409 -9.101 -23.858 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.200 -8.979 -25.594 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.284 -6.619 -25.577 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.861 -6.514 -23.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.195 -6.033 -24.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.029 -7.449 -23.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.438 -7.550 -24.955 1.00 0.00 H new ATOM 520 N ASP A 32 5.670 -11.278 -22.492 1.00 0.00 N ATOM 521 CA ASP A 32 5.206 -12.407 -21.695 1.00 0.00 C ATOM 522 C ASP A 32 3.741 -12.714 -21.988 1.00 0.00 C ATOM 523 O ASP A 32 3.426 -13.670 -22.698 1.00 0.00 O ATOM 524 CB ASP A 32 5.391 -12.118 -20.205 1.00 0.00 C ATOM 525 CG ASP A 32 4.606 -13.072 -19.327 1.00 0.00 C ATOM 526 OD1 ASP A 32 5.066 -14.217 -19.136 1.00 0.00 O ATOM 527 OD2 ASP A 32 3.530 -12.675 -18.832 1.00 0.00 O ATOM 0 H ASP A 32 5.775 -10.408 -21.970 1.00 0.00 H new ATOM 0 HA ASP A 32 5.802 -13.279 -21.965 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.449 -12.186 -19.954 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.078 -11.095 -19.995 1.00 0.00 H new ATOM 532 N LEU A 33 2.849 -11.898 -21.437 1.00 0.00 N ATOM 533 CA LEU A 33 1.416 -12.082 -21.638 1.00 0.00 C ATOM 534 C LEU A 33 1.061 -12.012 -23.120 1.00 0.00 C ATOM 535 O LEU A 33 0.042 -12.549 -23.551 1.00 0.00 O ATOM 536 CB LEU A 33 0.632 -11.022 -20.863 1.00 0.00 C ATOM 537 CG LEU A 33 1.181 -9.597 -20.932 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.211 -8.686 -21.668 1.00 0.00 C ATOM 539 CD2 LEU A 33 1.460 -9.064 -19.534 1.00 0.00 C ATOM 0 H LEU A 33 3.093 -11.102 -20.847 1.00 0.00 H new ATOM 0 HA LEU A 33 1.145 -13.070 -21.265 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.393 -11.013 -21.234 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.590 -11.323 -19.816 1.00 0.00 H new ATOM 0 HG LEU A 33 2.120 -9.617 -21.485 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.619 -7.676 -21.707 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.062 -9.057 -22.682 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.744 -8.672 -21.143 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.850 -8.049 -19.603 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.536 -9.059 -18.955 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.194 -9.702 -19.041 1.00 0.00 H new ATOM 551 N GLY A 34 1.912 -11.347 -23.896 1.00 0.00 N ATOM 552 CA GLY A 34 1.671 -11.220 -25.322 1.00 0.00 C ATOM 553 C GLY A 34 0.378 -10.491 -25.629 1.00 0.00 C ATOM 554 O GLY A 34 -0.545 -11.066 -26.205 1.00 0.00 O ATOM 0 H GLY A 34 2.763 -10.894 -23.563 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.503 -10.687 -25.782 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.641 -12.212 -25.772 1.00 0.00 H new ATOM 558 N ALA A 35 0.310 -9.221 -25.243 1.00 0.00 N ATOM 559 CA ALA A 35 -0.879 -8.413 -25.481 1.00 0.00 C ATOM 560 C ALA A 35 -0.732 -7.581 -26.750 1.00 0.00 C ATOM 561 O ALA A 35 -1.227 -7.960 -27.812 1.00 0.00 O ATOM 562 CB ALA A 35 -1.152 -7.511 -24.286 1.00 0.00 C ATOM 0 H ALA A 35 1.065 -8.730 -24.764 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.725 -9.087 -25.615 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.043 -6.913 -24.478 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.309 -8.122 -23.397 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.299 -6.851 -24.126 1.00 0.00 H new ATOM 568 N ASP A 36 -0.052 -6.446 -26.633 1.00 0.00 N ATOM 569 CA ASP A 36 0.160 -5.560 -27.772 1.00 0.00 C ATOM 570 C ASP A 36 0.927 -4.310 -27.353 1.00 0.00 C ATOM 571 O ASP A 36 0.802 -3.798 -26.243 1.00 0.00 O ATOM 572 CB ASP A 36 -1.180 -5.167 -28.395 1.00 0.00 C ATOM 573 CG ASP A 36 -2.190 -4.714 -27.359 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.656 -5.566 -26.573 1.00 0.00 O ATOM 575 OD2 ASP A 36 -2.513 -3.509 -27.333 1.00 0.00 O ATOM 0 H ASP A 36 0.362 -6.117 -25.761 1.00 0.00 H new ATOM 0 HA ASP A 36 0.753 -6.096 -28.513 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.021 -4.366 -29.117 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.585 -6.017 -28.945 1.00 0.00 H new ATOM 580 N SER A 37 1.760 -3.790 -28.271 1.00 0.00 N ATOM 581 CA SER A 37 2.614 -2.593 -28.097 1.00 0.00 C ATOM 582 C SER A 37 1.820 -1.360 -27.634 1.00 0.00 C ATOM 583 O SER A 37 2.294 -0.545 -26.841 1.00 0.00 O ATOM 584 CB SER A 37 3.319 -2.345 -29.440 1.00 0.00 C ATOM 585 OG SER A 37 2.382 -1.981 -30.454 1.00 0.00 O ATOM 0 H SER A 37 1.864 -4.207 -29.196 1.00 0.00 H new ATOM 0 HA SER A 37 3.342 -2.770 -27.305 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.060 -1.554 -29.324 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.857 -3.243 -29.743 1.00 0.00 H new ATOM 590 N LEU A 38 0.602 -1.242 -28.150 1.00 0.00 N ATOM 591 CA LEU A 38 -0.270 -0.124 -27.806 1.00 0.00 C ATOM 592 C LEU A 38 -0.749 -0.231 -26.362 1.00 0.00 C ATOM 593 O LEU A 38 -0.781 0.761 -25.634 1.00 0.00 O ATOM 594 CB LEU A 38 -1.471 -0.078 -28.753 1.00 0.00 C ATOM 595 CG LEU A 38 -1.185 -0.414 -30.217 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.542 -1.863 -30.511 1.00 0.00 C ATOM 597 CD2 LEU A 38 -1.951 0.524 -31.138 1.00 0.00 C ATOM 0 H LEU A 38 0.195 -1.907 -28.808 1.00 0.00 H new ATOM 0 HA LEU A 38 0.303 0.797 -27.911 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.227 -0.771 -28.383 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.905 0.921 -28.708 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.119 -0.280 -30.400 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.332 -2.084 -31.557 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.949 -2.520 -29.875 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.601 -2.024 -30.312 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.736 0.271 -32.176 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.020 0.422 -30.954 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.646 1.553 -30.945 1.00 0.00 H new ATOM 609 N ASP A 39 -1.118 -1.440 -25.955 1.00 0.00 N ATOM 610 CA ASP A 39 -1.593 -1.678 -24.597 1.00 0.00 C ATOM 611 C ASP A 39 -0.477 -1.444 -23.583 1.00 0.00 C ATOM 612 O ASP A 39 -0.618 -0.637 -22.664 1.00 0.00 O ATOM 613 CB ASP A 39 -2.130 -3.103 -24.464 1.00 0.00 C ATOM 614 CG ASP A 39 -3.609 -3.197 -24.785 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.142 -2.254 -25.405 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.232 -4.214 -24.416 1.00 0.00 O ATOM 0 H ASP A 39 -1.097 -2.271 -26.546 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.400 -0.974 -24.392 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.574 -3.761 -25.131 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.958 -3.460 -23.448 1.00 0.00 H new ATOM 621 N LEU A 40 0.631 -2.157 -23.756 1.00 0.00 N ATOM 622 CA LEU A 40 1.771 -2.029 -22.855 1.00 0.00 C ATOM 623 C LEU A 40 2.154 -0.565 -22.667 1.00 0.00 C ATOM 624 O LEU A 40 2.339 -0.100 -21.542 1.00 0.00 O ATOM 625 CB LEU A 40 2.966 -2.815 -23.398 1.00 0.00 C ATOM 626 CG LEU A 40 4.335 -2.426 -22.840 1.00 0.00 C ATOM 627 CD1 LEU A 40 5.162 -3.666 -22.540 1.00 0.00 C ATOM 628 CD2 LEU A 40 5.069 -1.516 -23.815 1.00 0.00 C ATOM 0 H LEU A 40 0.764 -2.829 -24.512 1.00 0.00 H new ATOM 0 HA LEU A 40 1.485 -2.438 -21.886 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.801 -3.873 -23.196 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.991 -2.697 -24.481 1.00 0.00 H new ATOM 0 HG LEU A 40 4.184 -1.881 -21.908 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.133 -3.369 -22.144 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.643 -4.281 -21.805 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.304 -4.239 -23.456 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.042 -1.249 -23.402 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.208 -2.035 -24.763 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.484 -0.611 -23.979 1.00 0.00 H new ATOM 640 N VAL A 41 2.271 0.159 -23.776 1.00 0.00 N ATOM 641 CA VAL A 41 2.628 1.571 -23.734 1.00 0.00 C ATOM 642 C VAL A 41 1.503 2.405 -23.132 1.00 0.00 C ATOM 643 O VAL A 41 1.750 3.366 -22.404 1.00 0.00 O ATOM 644 CB VAL A 41 2.956 2.110 -25.139 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.224 3.606 -25.088 1.00 0.00 C ATOM 646 CG2 VAL A 41 4.145 1.367 -25.729 1.00 0.00 C ATOM 0 H VAL A 41 2.123 -0.210 -24.715 1.00 0.00 H new ATOM 0 HA VAL A 41 3.515 1.654 -23.105 1.00 0.00 H new ATOM 0 HB VAL A 41 2.094 1.942 -25.785 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.454 3.969 -26.090 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.341 4.121 -24.709 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.069 3.802 -24.428 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.363 1.760 -26.722 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.014 1.503 -25.086 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.910 0.305 -25.803 1.00 0.00 H new ATOM 656 N GLU A 42 0.265 2.031 -23.441 1.00 0.00 N ATOM 657 CA GLU A 42 -0.899 2.745 -22.931 1.00 0.00 C ATOM 658 C GLU A 42 -0.923 2.726 -21.405 1.00 0.00 C ATOM 659 O GLU A 42 -0.777 3.764 -20.757 1.00 0.00 O ATOM 660 CB GLU A 42 -2.186 2.127 -23.480 1.00 0.00 C ATOM 661 CG GLU A 42 -2.673 2.776 -24.765 1.00 0.00 C ATOM 662 CD GLU A 42 -3.668 3.892 -24.514 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.781 4.337 -23.353 1.00 0.00 O ATOM 664 OE2 GLU A 42 -4.334 4.321 -25.480 1.00 0.00 O ATOM 0 H GLU A 42 0.043 1.237 -24.042 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.832 3.781 -23.264 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.021 1.065 -23.659 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.968 2.205 -22.724 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.819 3.173 -25.314 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.135 2.018 -25.398 1.00 0.00 H new ATOM 671 N LEU A 43 -1.108 1.540 -20.837 1.00 0.00 N ATOM 672 CA LEU A 43 -1.152 1.384 -19.387 1.00 0.00 C ATOM 673 C LEU A 43 0.049 2.057 -18.731 1.00 0.00 C ATOM 674 O LEU A 43 -0.083 2.713 -17.697 1.00 0.00 O ATOM 675 CB LEU A 43 -1.187 -0.099 -19.015 1.00 0.00 C ATOM 676 CG LEU A 43 -0.010 -0.943 -19.507 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.996 -1.160 -18.388 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.501 -2.276 -20.052 1.00 0.00 C ATOM 0 H LEU A 43 -1.230 0.672 -21.358 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.059 1.865 -19.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.237 -0.179 -17.929 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.107 -0.530 -19.409 1.00 0.00 H new ATOM 0 HG LEU A 43 0.487 -0.404 -20.314 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.826 -1.762 -18.757 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.372 -0.196 -18.044 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.512 -1.677 -17.559 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.350 -2.863 -20.398 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.023 -2.821 -19.265 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.182 -2.100 -20.884 1.00 0.00 H new ATOM 690 N ILE A 44 1.219 1.891 -19.339 1.00 0.00 N ATOM 691 CA ILE A 44 2.443 2.485 -18.815 1.00 0.00 C ATOM 692 C ILE A 44 2.365 4.008 -18.831 1.00 0.00 C ATOM 693 O ILE A 44 2.722 4.668 -17.855 1.00 0.00 O ATOM 694 CB ILE A 44 3.676 2.038 -19.621 1.00 0.00 C ATOM 695 CG1 ILE A 44 4.010 0.576 -19.315 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.866 2.934 -19.311 1.00 0.00 C ATOM 697 CD1 ILE A 44 5.021 -0.025 -20.266 1.00 0.00 C ATOM 0 H ILE A 44 1.345 1.350 -20.195 1.00 0.00 H new ATOM 0 HA ILE A 44 2.546 2.139 -17.787 1.00 0.00 H new ATOM 0 HB ILE A 44 3.448 2.125 -20.683 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.394 0.505 -18.297 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.094 -0.013 -19.352 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.730 2.605 -19.889 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.624 3.964 -19.574 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.098 2.876 -18.247 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.209 -1.062 -19.989 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.632 0.014 -21.283 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.952 0.540 -20.212 1.00 0.00 H new ATOM 709 N MET A 45 1.893 4.560 -19.944 1.00 0.00 N ATOM 710 CA MET A 45 1.765 6.006 -20.085 1.00 0.00 C ATOM 711 C MET A 45 0.991 6.600 -18.913 1.00 0.00 C ATOM 712 O MET A 45 1.264 7.719 -18.480 1.00 0.00 O ATOM 713 CB MET A 45 1.065 6.351 -21.401 1.00 0.00 C ATOM 714 CG MET A 45 -0.383 6.779 -21.226 1.00 0.00 C ATOM 715 SD MET A 45 -1.240 6.992 -22.798 1.00 0.00 S ATOM 716 CE MET A 45 -0.799 8.682 -23.197 1.00 0.00 C ATOM 0 H MET A 45 1.593 4.028 -20.761 1.00 0.00 H new ATOM 0 HA MET A 45 2.767 6.436 -20.091 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.614 7.152 -21.896 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.102 5.484 -22.061 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.908 6.034 -20.629 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.416 7.715 -20.669 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.255 8.963 -24.146 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.158 9.347 -22.411 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.285 8.766 -23.277 1.00 0.00 H new ATOM 726 N ALA A 46 0.023 5.844 -18.404 1.00 0.00 N ATOM 727 CA ALA A 46 -0.789 6.295 -17.281 1.00 0.00 C ATOM 728 C ALA A 46 -0.010 6.215 -15.973 1.00 0.00 C ATOM 729 O ALA A 46 -0.076 7.122 -15.142 1.00 0.00 O ATOM 730 CB ALA A 46 -2.066 5.473 -17.189 1.00 0.00 C ATOM 0 H ALA A 46 -0.218 4.916 -18.752 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.054 7.338 -17.452 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.663 5.821 -16.346 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.638 5.586 -18.110 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.813 4.423 -17.046 1.00 0.00 H new ATOM 736 N LEU A 47 0.727 5.124 -15.795 1.00 0.00 N ATOM 737 CA LEU A 47 1.519 4.924 -14.586 1.00 0.00 C ATOM 738 C LEU A 47 2.436 6.117 -14.333 1.00 0.00 C ATOM 739 O LEU A 47 2.425 6.700 -13.249 1.00 0.00 O ATOM 740 CB LEU A 47 2.349 3.644 -14.702 1.00 0.00 C ATOM 741 CG LEU A 47 2.581 2.875 -13.401 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.492 1.681 -13.642 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.170 3.791 -12.338 1.00 0.00 C ATOM 0 H LEU A 47 0.793 4.364 -16.472 1.00 0.00 H new ATOM 0 HA LEU A 47 0.834 4.830 -13.743 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.857 2.979 -15.411 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.319 3.901 -15.127 1.00 0.00 H new ATOM 0 HG LEU A 47 1.620 2.506 -13.043 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.646 1.146 -12.705 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.032 1.013 -14.370 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.452 2.027 -14.024 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.328 3.227 -11.419 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.122 4.189 -12.688 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.482 4.614 -12.145 1.00 0.00 H new ATOM 755 N GLU A 48 3.226 6.474 -15.341 1.00 0.00 N ATOM 756 CA GLU A 48 4.147 7.598 -15.226 1.00 0.00 C ATOM 757 C GLU A 48 3.386 8.914 -15.087 1.00 0.00 C ATOM 758 O GLU A 48 3.752 9.772 -14.286 1.00 0.00 O ATOM 759 CB GLU A 48 5.070 7.657 -16.446 1.00 0.00 C ATOM 760 CG GLU A 48 4.326 7.762 -17.767 1.00 0.00 C ATOM 761 CD GLU A 48 4.119 9.198 -18.207 1.00 0.00 C ATOM 762 OE1 GLU A 48 4.425 10.112 -17.414 1.00 0.00 O ATOM 763 OE2 GLU A 48 3.650 9.407 -19.346 1.00 0.00 O ATOM 0 H GLU A 48 3.246 6.002 -16.245 1.00 0.00 H new ATOM 0 HA GLU A 48 4.749 7.450 -14.330 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.737 8.513 -16.345 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.696 6.765 -16.461 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.882 7.227 -18.537 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.357 7.271 -17.674 1.00 0.00 H new ATOM 770 N GLU A 49 2.326 9.063 -15.875 1.00 0.00 N ATOM 771 CA GLU A 49 1.514 10.274 -15.841 1.00 0.00 C ATOM 772 C GLU A 49 1.008 10.550 -14.428 1.00 0.00 C ATOM 773 O GLU A 49 0.737 11.695 -14.065 1.00 0.00 O ATOM 774 CB GLU A 49 0.331 10.149 -16.803 1.00 0.00 C ATOM 775 CG GLU A 49 -0.509 11.412 -16.903 1.00 0.00 C ATOM 776 CD GLU A 49 -1.407 11.420 -18.124 1.00 0.00 C ATOM 777 OE1 GLU A 49 -1.519 10.365 -18.785 1.00 0.00 O ATOM 778 OE2 GLU A 49 -1.999 12.479 -18.420 1.00 0.00 O ATOM 0 H GLU A 49 2.010 8.361 -16.544 1.00 0.00 H new ATOM 0 HA GLU A 49 2.140 11.109 -16.154 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.705 9.892 -17.794 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.304 9.325 -16.479 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.121 11.509 -16.006 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.149 12.280 -16.935 1.00 0.00 H new ATOM 785 N LYS A 50 0.881 9.492 -13.634 1.00 0.00 N ATOM 786 CA LYS A 50 0.409 9.618 -12.261 1.00 0.00 C ATOM 787 C LYS A 50 1.577 9.804 -11.298 1.00 0.00 C ATOM 788 O LYS A 50 1.521 10.636 -10.392 1.00 0.00 O ATOM 789 CB LYS A 50 -0.402 8.382 -11.863 1.00 0.00 C ATOM 790 CG LYS A 50 -0.884 8.408 -10.423 1.00 0.00 C ATOM 791 CD LYS A 50 -1.341 7.034 -9.963 1.00 0.00 C ATOM 792 CE LYS A 50 -2.358 7.133 -8.837 1.00 0.00 C ATOM 793 NZ LYS A 50 -3.756 7.053 -9.344 1.00 0.00 N ATOM 0 H LYS A 50 1.099 8.537 -13.919 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.230 10.499 -12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.264 8.295 -12.524 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.209 7.492 -12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.081 8.761 -9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.706 9.117 -10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.778 6.495 -10.803 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.480 6.457 -9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.185 6.330 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.218 8.073 -8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.419 7.124 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.929 7.834 -10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.897 6.145 -9.831 1.00 0.00 H new ATOM 807 N PHE A 51 2.634 9.025 -11.500 1.00 0.00 N ATOM 808 CA PHE A 51 3.817 9.105 -10.650 1.00 0.00 C ATOM 809 C PHE A 51 4.511 10.454 -10.809 1.00 0.00 C ATOM 810 O PHE A 51 5.246 10.894 -9.926 1.00 0.00 O ATOM 811 CB PHE A 51 4.791 7.975 -10.988 1.00 0.00 C ATOM 812 CG PHE A 51 5.058 7.048 -9.837 1.00 0.00 C ATOM 813 CD1 PHE A 51 5.335 7.551 -8.576 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.032 5.674 -10.015 1.00 0.00 C ATOM 815 CE1 PHE A 51 5.580 6.702 -7.513 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.276 4.820 -8.956 1.00 0.00 C ATOM 817 CZ PHE A 51 5.552 5.334 -7.704 1.00 0.00 C ATOM 0 H PHE A 51 2.696 8.331 -12.245 1.00 0.00 H new ATOM 0 HA PHE A 51 3.496 9.001 -9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.391 7.399 -11.822 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.734 8.407 -11.322 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.360 8.620 -8.422 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.819 5.266 -10.992 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.793 7.107 -6.535 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.251 3.751 -9.107 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.745 4.668 -6.876 1.00 0.00 H new ATOM 827 N ASN A 52 4.271 11.107 -11.942 1.00 0.00 N ATOM 828 CA ASN A 52 4.874 12.406 -12.218 1.00 0.00 C ATOM 829 C ASN A 52 6.383 12.278 -12.401 1.00 0.00 C ATOM 830 O ASN A 52 7.163 12.850 -11.640 1.00 0.00 O ATOM 831 CB ASN A 52 4.568 13.385 -11.082 1.00 0.00 C ATOM 832 CG ASN A 52 4.764 14.830 -11.497 1.00 0.00 C ATOM 833 OD1 ASN A 52 5.793 15.438 -11.202 1.00 0.00 O ATOM 834 ND2 ASN A 52 3.774 15.388 -12.184 1.00 0.00 N ATOM 0 H ASN A 52 3.664 10.758 -12.683 1.00 0.00 H new ATOM 0 HA ASN A 52 4.445 12.788 -13.144 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.540 13.241 -10.749 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.212 13.163 -10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.849 16.358 -12.489 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.939 14.846 -12.406 1.00 0.00 H new ATOM 841 N VAL A 53 6.788 11.523 -13.418 1.00 0.00 N ATOM 842 CA VAL A 53 8.204 11.321 -13.703 1.00 0.00 C ATOM 843 C VAL A 53 8.575 11.884 -15.070 1.00 0.00 C ATOM 844 O VAL A 53 7.807 12.633 -15.675 1.00 0.00 O ATOM 845 CB VAL A 53 8.578 9.827 -13.657 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.821 9.614 -12.807 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.413 9.003 -13.130 1.00 0.00 C ATOM 0 H VAL A 53 6.156 11.042 -14.058 1.00 0.00 H new ATOM 0 HA VAL A 53 8.761 11.852 -12.931 1.00 0.00 H new ATOM 0 HB VAL A 53 8.800 9.494 -14.671 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.070 8.553 -12.786 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.654 10.174 -13.233 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.632 9.962 -11.792 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.694 7.950 -13.104 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.158 9.335 -12.124 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.551 9.132 -13.784 1.00 0.00 H new ATOM 857 N THR A 54 9.758 11.519 -15.554 1.00 0.00 N ATOM 858 CA THR A 54 10.232 11.989 -16.849 1.00 0.00 C ATOM 859 C THR A 54 10.653 10.823 -17.736 1.00 0.00 C ATOM 860 O THR A 54 11.675 10.888 -18.419 1.00 0.00 O ATOM 861 CB THR A 54 11.421 12.957 -16.696 1.00 0.00 C ATOM 862 OG1 THR A 54 11.797 13.478 -17.975 1.00 0.00 O ATOM 863 CG2 THR A 54 12.611 12.256 -16.058 1.00 0.00 C ATOM 0 H THR A 54 10.406 10.899 -15.068 1.00 0.00 H new ATOM 0 HA THR A 54 9.401 12.517 -17.316 1.00 0.00 H new ATOM 0 HB THR A 54 11.112 13.777 -16.047 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.988 12.737 -18.587 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.438 12.959 -15.960 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.330 11.887 -15.072 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.919 11.419 -16.684 1.00 0.00 H new ATOM 871 N ILE A 55 9.859 9.758 -17.722 1.00 0.00 N ATOM 872 CA ILE A 55 10.149 8.578 -18.527 1.00 0.00 C ATOM 873 C ILE A 55 9.617 8.737 -19.947 1.00 0.00 C ATOM 874 O ILE A 55 8.812 9.626 -20.223 1.00 0.00 O ATOM 875 CB ILE A 55 9.542 7.307 -17.903 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.562 7.403 -16.376 1.00 0.00 C ATOM 877 CG2 ILE A 55 10.298 6.073 -18.372 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.189 7.319 -15.747 1.00 0.00 C ATOM 0 H ILE A 55 9.009 9.688 -17.162 1.00 0.00 H new ATOM 0 HA ILE A 55 11.234 8.476 -18.557 1.00 0.00 H new ATOM 0 HB ILE A 55 8.506 7.219 -18.229 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.185 6.602 -15.978 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.029 8.344 -16.085 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.857 5.183 -17.922 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.236 5.999 -19.458 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.343 6.151 -18.072 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.280 7.394 -14.663 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.569 8.136 -16.116 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.727 6.367 -16.007 1.00 0.00 H new ATOM 890 N SER A 56 10.072 7.868 -20.844 1.00 0.00 N ATOM 891 CA SER A 56 9.644 7.913 -22.238 1.00 0.00 C ATOM 892 C SER A 56 9.822 6.553 -22.905 1.00 0.00 C ATOM 893 O SER A 56 8.854 5.823 -23.119 1.00 0.00 O ATOM 894 CB SER A 56 10.435 8.977 -23.002 1.00 0.00 C ATOM 895 OG SER A 56 10.184 8.896 -24.394 1.00 0.00 O ATOM 0 H SER A 56 10.737 7.124 -20.631 1.00 0.00 H new ATOM 0 HA SER A 56 8.586 8.172 -22.260 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.164 9.968 -22.637 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.501 8.848 -22.813 1.00 0.00 H new ATOM 0 HG SER A 56 10.699 9.587 -24.860 1.00 0.00 H new ATOM 901 N ASP A 57 11.066 6.220 -23.232 1.00 0.00 N ATOM 902 CA ASP A 57 11.373 4.947 -23.874 1.00 0.00 C ATOM 903 C ASP A 57 12.050 3.994 -22.894 1.00 0.00 C ATOM 904 O ASP A 57 12.399 2.869 -23.250 1.00 0.00 O ATOM 905 CB ASP A 57 12.271 5.170 -25.091 1.00 0.00 C ATOM 906 CG ASP A 57 12.222 4.010 -26.067 1.00 0.00 C ATOM 907 OD1 ASP A 57 11.289 3.186 -25.963 1.00 0.00 O ATOM 908 OD2 ASP A 57 13.114 3.928 -26.936 1.00 0.00 O ATOM 0 H ASP A 57 11.878 6.814 -23.063 1.00 0.00 H new ATOM 0 HA ASP A 57 10.436 4.497 -24.201 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.966 6.084 -25.601 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.298 5.318 -24.759 1.00 0.00 H new ATOM 913 N GLN A 58 12.233 4.452 -21.660 1.00 0.00 N ATOM 914 CA GLN A 58 12.870 3.640 -20.630 1.00 0.00 C ATOM 915 C GLN A 58 11.839 2.798 -19.886 1.00 0.00 C ATOM 916 O GLN A 58 12.151 1.719 -19.382 1.00 0.00 O ATOM 917 CB GLN A 58 13.627 4.531 -19.644 1.00 0.00 C ATOM 918 CG GLN A 58 14.473 5.600 -20.315 1.00 0.00 C ATOM 919 CD GLN A 58 15.632 5.019 -21.101 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.773 5.015 -20.636 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.346 4.522 -22.299 1.00 0.00 N ATOM 0 H GLN A 58 11.949 5.381 -21.349 1.00 0.00 H new ATOM 0 HA GLN A 58 13.577 2.968 -21.117 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.911 5.012 -18.978 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.270 3.907 -19.023 1.00 0.00 H new ATOM 0 HG2 GLN A 58 13.845 6.189 -20.983 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.859 6.282 -19.557 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.387 4.546 -22.645 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.085 4.116 -22.873 1.00 0.00 H new ATOM 930 N ASP A 59 10.610 3.299 -19.820 1.00 0.00 N ATOM 931 CA ASP A 59 9.533 2.592 -19.137 1.00 0.00 C ATOM 932 C ASP A 59 9.223 1.271 -19.833 1.00 0.00 C ATOM 933 O ASP A 59 9.166 0.220 -19.195 1.00 0.00 O ATOM 934 CB ASP A 59 8.276 3.463 -19.085 1.00 0.00 C ATOM 935 CG ASP A 59 7.919 4.046 -20.438 1.00 0.00 C ATOM 936 OD1 ASP A 59 7.248 3.348 -21.226 1.00 0.00 O ATOM 937 OD2 ASP A 59 8.312 5.200 -20.709 1.00 0.00 O ATOM 0 H ASP A 59 10.335 4.191 -20.231 1.00 0.00 H new ATOM 0 HA ASP A 59 9.860 2.377 -18.120 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.440 2.868 -18.717 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.428 4.273 -18.372 1.00 0.00 H new ATOM 942 N ALA A 60 9.022 1.332 -21.145 1.00 0.00 N ATOM 943 CA ALA A 60 8.718 0.141 -21.928 1.00 0.00 C ATOM 944 C ALA A 60 9.908 -0.813 -21.960 1.00 0.00 C ATOM 945 O ALA A 60 9.783 -1.963 -22.382 1.00 0.00 O ATOM 946 CB ALA A 60 8.312 0.528 -23.343 1.00 0.00 C ATOM 0 H ALA A 60 9.064 2.194 -21.688 1.00 0.00 H new ATOM 0 HA ALA A 60 7.884 -0.374 -21.451 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.088 -0.372 -23.916 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.428 1.165 -23.307 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.129 1.069 -23.821 1.00 0.00 H new ATOM 952 N LEU A 61 11.060 -0.328 -21.511 1.00 0.00 N ATOM 953 CA LEU A 61 12.274 -1.138 -21.489 1.00 0.00 C ATOM 954 C LEU A 61 12.762 -1.348 -20.059 1.00 0.00 C ATOM 955 O LEU A 61 13.947 -1.585 -19.824 1.00 0.00 O ATOM 956 CB LEU A 61 13.371 -0.472 -22.321 1.00 0.00 C ATOM 957 CG LEU A 61 13.251 -0.630 -23.838 1.00 0.00 C ATOM 958 CD1 LEU A 61 13.715 0.634 -24.544 1.00 0.00 C ATOM 959 CD2 LEU A 61 14.052 -1.833 -24.314 1.00 0.00 C ATOM 0 H LEU A 61 11.180 0.621 -21.157 1.00 0.00 H new ATOM 0 HA LEU A 61 12.040 -2.111 -21.921 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.382 0.592 -22.086 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.333 -0.877 -22.008 1.00 0.00 H new ATOM 0 HG LEU A 61 12.202 -0.796 -24.085 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.623 0.503 -25.622 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.099 1.475 -24.226 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.757 0.831 -24.290 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.955 -1.930 -25.395 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.102 -1.697 -24.055 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.674 -2.735 -23.833 1.00 0.00 H new ATOM 971 N LYS A 62 11.840 -1.261 -19.106 1.00 0.00 N ATOM 972 CA LYS A 62 12.174 -1.445 -17.699 1.00 0.00 C ATOM 973 C LYS A 62 11.051 -2.169 -16.963 1.00 0.00 C ATOM 974 O LYS A 62 11.251 -3.259 -16.424 1.00 0.00 O ATOM 975 CB LYS A 62 12.442 -0.092 -17.036 1.00 0.00 C ATOM 976 CG LYS A 62 13.852 0.427 -17.262 1.00 0.00 C ATOM 977 CD LYS A 62 14.191 1.557 -16.304 1.00 0.00 C ATOM 978 CE LYS A 62 13.428 2.827 -16.648 1.00 0.00 C ATOM 979 NZ LYS A 62 14.188 4.050 -16.268 1.00 0.00 N ATOM 0 H LYS A 62 10.855 -1.064 -19.283 1.00 0.00 H new ATOM 0 HA LYS A 62 13.075 -2.056 -17.643 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.729 0.638 -17.419 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.264 -0.180 -15.964 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.565 -0.387 -17.133 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.951 0.778 -18.289 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.954 1.254 -15.284 1.00 0.00 H new ATOM 0 HD3 LYS A 62 15.262 1.755 -16.337 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.219 2.847 -17.718 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.466 2.823 -16.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.635 4.894 -16.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.366 4.044 -15.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.095 4.067 -16.776 1.00 0.00 H new ATOM 993 N ILE A 63 9.871 -1.559 -16.945 1.00 0.00 N ATOM 994 CA ILE A 63 8.716 -2.147 -16.278 1.00 0.00 C ATOM 995 C ILE A 63 8.464 -3.569 -16.768 1.00 0.00 C ATOM 996 O ILE A 63 7.882 -4.387 -16.057 1.00 0.00 O ATOM 997 CB ILE A 63 7.446 -1.306 -16.503 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.566 0.040 -15.786 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.218 -2.062 -16.021 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.135 1.140 -16.656 1.00 0.00 C ATOM 0 H ILE A 63 9.689 -0.657 -17.385 1.00 0.00 H new ATOM 0 HA ILE A 63 8.944 -2.167 -15.212 1.00 0.00 H new ATOM 0 HB ILE A 63 7.336 -1.119 -17.571 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.581 0.342 -15.430 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.199 -0.081 -14.907 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.328 -1.454 -16.187 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.127 -2.997 -16.573 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.317 -2.277 -14.957 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.191 2.065 -16.082 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.134 0.859 -16.991 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.490 1.289 -17.522 1.00 0.00 H new ATOM 1012 N ASN A 64 8.909 -3.857 -17.987 1.00 0.00 N ATOM 1013 CA ASN A 64 8.733 -5.181 -18.572 1.00 0.00 C ATOM 1014 C ASN A 64 8.938 -6.271 -17.524 1.00 0.00 C ATOM 1015 O ASN A 64 8.075 -7.126 -17.324 1.00 0.00 O ATOM 1016 CB ASN A 64 9.710 -5.383 -19.732 1.00 0.00 C ATOM 1017 CG ASN A 64 10.820 -4.351 -19.739 1.00 0.00 C ATOM 1018 OD1 ASN A 64 10.717 -3.315 -20.397 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.891 -4.629 -19.005 1.00 0.00 N ATOM 0 H ASN A 64 9.394 -3.191 -18.589 1.00 0.00 H new ATOM 0 HA ASN A 64 7.713 -5.251 -18.949 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.145 -6.380 -19.667 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.165 -5.333 -20.675 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.670 -3.972 -18.971 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.934 -5.500 -18.475 1.00 0.00 H new ATOM 1026 N THR A 65 10.087 -6.234 -16.857 1.00 0.00 N ATOM 1027 CA THR A 65 10.407 -7.217 -15.830 1.00 0.00 C ATOM 1028 C THR A 65 10.038 -6.704 -14.443 1.00 0.00 C ATOM 1029 O THR A 65 10.465 -5.623 -14.036 1.00 0.00 O ATOM 1030 CB THR A 65 11.903 -7.583 -15.849 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.651 -6.623 -15.094 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.429 -7.636 -17.275 1.00 0.00 C ATOM 0 H THR A 65 10.812 -5.533 -17.010 1.00 0.00 H new ATOM 0 HA THR A 65 9.820 -8.108 -16.052 1.00 0.00 H new ATOM 0 HB THR A 65 12.019 -8.569 -15.399 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.428 -6.331 -15.615 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.487 -7.896 -17.263 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.877 -8.388 -17.839 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.300 -6.662 -17.747 1.00 0.00 H new ATOM 1040 N VAL A 66 9.243 -7.486 -13.720 1.00 0.00 N ATOM 1041 CA VAL A 66 8.818 -7.110 -12.376 1.00 0.00 C ATOM 1042 C VAL A 66 9.988 -6.571 -11.561 1.00 0.00 C ATOM 1043 O VAL A 66 9.817 -5.683 -10.726 1.00 0.00 O ATOM 1044 CB VAL A 66 8.194 -8.305 -11.631 1.00 0.00 C ATOM 1045 CG1 VAL A 66 7.850 -7.921 -10.200 1.00 0.00 C ATOM 1046 CG2 VAL A 66 6.962 -8.808 -12.367 1.00 0.00 C ATOM 0 H VAL A 66 8.880 -8.383 -14.042 1.00 0.00 H new ATOM 0 HA VAL A 66 8.067 -6.328 -12.488 1.00 0.00 H new ATOM 0 HB VAL A 66 8.925 -9.113 -11.600 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.410 -8.778 -9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.756 -7.613 -9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.137 -7.097 -10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.535 -9.652 -11.826 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.225 -8.008 -12.432 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.242 -9.125 -13.371 1.00 0.00 H new ATOM 1056 N GLN A 67 11.175 -7.114 -11.809 1.00 0.00 N ATOM 1057 CA GLN A 67 12.374 -6.686 -11.097 1.00 0.00 C ATOM 1058 C GLN A 67 12.759 -5.263 -11.485 1.00 0.00 C ATOM 1059 O GLN A 67 12.899 -4.391 -10.627 1.00 0.00 O ATOM 1060 CB GLN A 67 13.534 -7.639 -11.390 1.00 0.00 C ATOM 1061 CG GLN A 67 14.863 -7.174 -10.817 1.00 0.00 C ATOM 1062 CD GLN A 67 14.823 -7.009 -9.311 1.00 0.00 C ATOM 1063 OE1 GLN A 67 15.066 -7.957 -8.564 1.00 0.00 O ATOM 1064 NE2 GLN A 67 14.517 -5.800 -8.855 1.00 0.00 N ATOM 0 H GLN A 67 11.333 -7.851 -12.497 1.00 0.00 H new ATOM 0 HA GLN A 67 12.158 -6.705 -10.029 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.297 -8.622 -10.984 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.634 -7.755 -12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.639 -7.893 -11.079 1.00 0.00 H new ATOM 0 HG3 GLN A 67 15.140 -6.225 -11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.323 -5.042 -9.509 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.476 -5.629 -7.850 1.00 0.00 H new ATOM 1073 N ASP A 68 12.929 -5.034 -12.782 1.00 0.00 N ATOM 1074 CA ASP A 68 13.297 -3.715 -13.285 1.00 0.00 C ATOM 1075 C ASP A 68 12.201 -2.696 -12.990 1.00 0.00 C ATOM 1076 O ASP A 68 12.479 -1.518 -12.770 1.00 0.00 O ATOM 1077 CB ASP A 68 13.564 -3.776 -14.789 1.00 0.00 C ATOM 1078 CG ASP A 68 14.924 -4.362 -15.113 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.921 -3.923 -14.501 1.00 0.00 O ATOM 1080 OD2 ASP A 68 14.992 -5.261 -15.977 1.00 0.00 O ATOM 0 H ASP A 68 12.818 -5.745 -13.505 1.00 0.00 H new ATOM 0 HA ASP A 68 14.207 -3.399 -12.775 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.790 -4.375 -15.268 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.495 -2.772 -15.208 1.00 0.00 H new ATOM 1085 N ALA A 69 10.955 -3.158 -12.990 1.00 0.00 N ATOM 1086 CA ALA A 69 9.817 -2.287 -12.723 1.00 0.00 C ATOM 1087 C ALA A 69 9.926 -1.650 -11.341 1.00 0.00 C ATOM 1088 O ALA A 69 10.013 -0.429 -11.216 1.00 0.00 O ATOM 1089 CB ALA A 69 8.516 -3.065 -12.846 1.00 0.00 C ATOM 0 H ALA A 69 10.708 -4.131 -13.172 1.00 0.00 H new ATOM 0 HA ALA A 69 9.821 -1.488 -13.464 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.675 -2.402 -12.644 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.427 -3.467 -13.855 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.513 -3.884 -12.127 1.00 0.00 H new ATOM 1095 N ILE A 70 9.921 -2.486 -10.308 1.00 0.00 N ATOM 1096 CA ILE A 70 10.019 -2.004 -8.936 1.00 0.00 C ATOM 1097 C ILE A 70 11.249 -1.121 -8.750 1.00 0.00 C ATOM 1098 O ILE A 70 11.230 -0.168 -7.972 1.00 0.00 O ATOM 1099 CB ILE A 70 10.082 -3.170 -7.932 1.00 0.00 C ATOM 1100 CG1 ILE A 70 11.252 -4.098 -8.268 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.770 -3.941 -7.933 1.00 0.00 C ATOM 1102 CD1 ILE A 70 11.388 -5.267 -7.318 1.00 0.00 C ATOM 0 H ILE A 70 9.850 -3.500 -10.395 1.00 0.00 H new ATOM 0 HA ILE A 70 9.121 -1.418 -8.743 1.00 0.00 H new ATOM 0 HB ILE A 70 10.241 -2.763 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.125 -4.477 -9.282 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.177 -3.522 -8.257 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.830 -4.762 -7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.956 -3.274 -7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.584 -4.340 -8.930 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.237 -5.882 -7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.547 -4.896 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.478 -5.867 -7.346 1.00 0.00 H new ATOM 1114 N ASP A 71 12.317 -1.445 -9.471 1.00 0.00 N ATOM 1115 CA ASP A 71 13.555 -0.680 -9.389 1.00 0.00 C ATOM 1116 C ASP A 71 13.439 0.629 -10.164 1.00 0.00 C ATOM 1117 O ASP A 71 14.152 1.593 -9.885 1.00 0.00 O ATOM 1118 CB ASP A 71 14.726 -1.504 -9.928 1.00 0.00 C ATOM 1119 CG ASP A 71 15.850 -1.643 -8.921 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.705 -0.735 -8.858 1.00 0.00 O ATOM 1121 OD2 ASP A 71 15.874 -2.659 -8.195 1.00 0.00 O ATOM 0 H ASP A 71 12.350 -2.232 -10.119 1.00 0.00 H new ATOM 0 HA ASP A 71 13.738 -0.445 -8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.370 -2.495 -10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 71 15.110 -1.035 -10.834 1.00 0.00 H new ATOM 1126 N TYR A 72 12.536 0.654 -11.138 1.00 0.00 N ATOM 1127 CA TYR A 72 12.328 1.843 -11.957 1.00 0.00 C ATOM 1128 C TYR A 72 11.490 2.878 -11.211 1.00 0.00 C ATOM 1129 O TYR A 72 11.600 4.078 -11.461 1.00 0.00 O ATOM 1130 CB TYR A 72 11.644 1.469 -13.273 1.00 0.00 C ATOM 1131 CG TYR A 72 10.388 2.264 -13.550 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.458 3.557 -14.053 1.00 0.00 C ATOM 1133 CD2 TYR A 72 9.132 1.723 -13.307 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.313 4.288 -14.308 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.982 2.445 -13.559 1.00 0.00 C ATOM 1136 CZ TYR A 72 8.078 3.727 -14.059 1.00 0.00 C ATOM 1137 OH TYR A 72 6.934 4.450 -14.311 1.00 0.00 O ATOM 0 H TYR A 72 11.936 -0.135 -11.380 1.00 0.00 H new ATOM 0 HA TYR A 72 13.303 2.279 -12.174 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.346 1.618 -14.093 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.396 0.408 -13.255 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.424 3.999 -14.248 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.053 0.720 -12.914 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.385 5.292 -14.700 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.013 2.008 -13.366 1.00 0.00 H new ATOM 0 HH TYR A 72 6.149 3.910 -14.083 1.00 0.00 H new ATOM 1147 N ILE A 73 10.654 2.403 -10.295 1.00 0.00 N ATOM 1148 CA ILE A 73 9.799 3.285 -9.511 1.00 0.00 C ATOM 1149 C ILE A 73 10.499 3.738 -8.234 1.00 0.00 C ATOM 1150 O ILE A 73 10.212 4.812 -7.706 1.00 0.00 O ATOM 1151 CB ILE A 73 8.471 2.598 -9.139 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.725 1.438 -8.175 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.760 2.109 -10.392 1.00 0.00 C ATOM 1154 CD1 ILE A 73 7.461 0.865 -7.574 1.00 0.00 C ATOM 0 H ILE A 73 10.550 1.412 -10.077 1.00 0.00 H new ATOM 0 HA ILE A 73 9.587 4.154 -10.134 1.00 0.00 H new ATOM 0 HB ILE A 73 7.829 3.324 -8.641 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.258 0.647 -8.703 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.377 1.780 -7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.823 1.626 -10.114 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.551 2.956 -11.046 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.395 1.395 -10.915 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.717 0.047 -6.901 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.938 1.643 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.816 0.492 -8.370 1.00 0.00 H new ATOM 1166 N GLU A 74 11.419 2.912 -7.745 1.00 0.00 N ATOM 1167 CA GLU A 74 12.160 3.229 -6.531 1.00 0.00 C ATOM 1168 C GLU A 74 13.363 4.114 -6.843 1.00 0.00 C ATOM 1169 O GLU A 74 13.801 4.905 -6.007 1.00 0.00 O ATOM 1170 CB GLU A 74 12.624 1.945 -5.840 1.00 0.00 C ATOM 1171 CG GLU A 74 11.483 1.093 -5.311 1.00 0.00 C ATOM 1172 CD GLU A 74 10.858 1.669 -4.055 1.00 0.00 C ATOM 1173 OE1 GLU A 74 10.051 2.615 -4.176 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.175 1.176 -2.953 1.00 0.00 O ATOM 0 H GLU A 74 11.668 2.019 -8.171 1.00 0.00 H new ATOM 0 HA GLU A 74 11.494 3.773 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.211 1.355 -6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.285 2.206 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.718 0.997 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.851 0.089 -5.101 1.00 0.00 H new ATOM 1181 N LYS A 75 13.894 3.976 -8.053 1.00 0.00 N ATOM 1182 CA LYS A 75 15.046 4.762 -8.478 1.00 0.00 C ATOM 1183 C LYS A 75 14.610 6.127 -9.001 1.00 0.00 C ATOM 1184 O LYS A 75 15.298 7.127 -8.800 1.00 0.00 O ATOM 1185 CB LYS A 75 15.827 4.015 -9.562 1.00 0.00 C ATOM 1186 CG LYS A 75 15.180 4.083 -10.935 1.00 0.00 C ATOM 1187 CD LYS A 75 15.759 3.041 -11.876 1.00 0.00 C ATOM 1188 CE LYS A 75 17.139 3.444 -12.374 1.00 0.00 C ATOM 1189 NZ LYS A 75 17.062 4.325 -13.572 1.00 0.00 N ATOM 0 H LYS A 75 13.544 3.326 -8.757 1.00 0.00 H new ATOM 0 HA LYS A 75 15.691 4.913 -7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.833 4.429 -9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.929 2.970 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.105 3.931 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.325 5.077 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 75 15.822 2.081 -11.363 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.090 2.905 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.676 3.960 -11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 75 17.713 2.550 -12.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 18.023 4.577 -13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.572 3.824 -14.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.537 5.190 -13.333 1.00 0.00 H new ATOM 1203 N ASN A 76 13.463 6.160 -9.671 1.00 0.00 N ATOM 1204 CA ASN A 76 12.935 7.404 -10.221 1.00 0.00 C ATOM 1205 C ASN A 76 12.091 8.142 -9.187 1.00 0.00 C ATOM 1206 O ASN A 76 12.445 9.235 -8.748 1.00 0.00 O ATOM 1207 CB ASN A 76 12.098 7.118 -11.469 1.00 0.00 C ATOM 1208 CG ASN A 76 12.942 6.639 -12.635 1.00 0.00 C ATOM 1209 OD1 ASN A 76 14.171 6.640 -12.567 1.00 0.00 O ATOM 1210 ND2 ASN A 76 12.284 6.227 -13.712 1.00 0.00 N ATOM 0 H ASN A 76 12.881 5.341 -9.846 1.00 0.00 H new ATOM 0 HA ASN A 76 13.778 8.038 -10.494 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.347 6.364 -11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.563 8.022 -11.759 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.798 5.894 -14.527 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.264 6.244 -13.724 1.00 0.00 H new ATOM 1217 N ASN A 77 10.973 7.535 -8.801 1.00 0.00 N ATOM 1218 CA ASN A 77 10.078 8.134 -7.818 1.00 0.00 C ATOM 1219 C ASN A 77 10.692 8.085 -6.422 1.00 0.00 C ATOM 1220 O ASN A 77 10.452 7.150 -5.658 1.00 0.00 O ATOM 1221 CB ASN A 77 8.729 7.412 -7.819 1.00 0.00 C ATOM 1222 CG ASN A 77 8.315 6.962 -9.207 1.00 0.00 C ATOM 1223 OD1 ASN A 77 8.056 5.781 -9.437 1.00 0.00 O ATOM 1224 ND2 ASN A 77 8.252 7.905 -10.140 1.00 0.00 N ATOM 0 H ASN A 77 10.666 6.629 -9.154 1.00 0.00 H new ATOM 0 HA ASN A 77 9.924 9.178 -8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.783 6.545 -7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.965 8.074 -7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.980 7.662 -11.093 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.476 8.872 -9.904 1.00 0.00 H new ATOM 1231 N LYS A 78 11.486 9.099 -6.096 1.00 0.00 N ATOM 1232 CA LYS A 78 12.134 9.175 -4.792 1.00 0.00 C ATOM 1233 C LYS A 78 11.540 10.302 -3.953 1.00 0.00 C ATOM 1234 O LYS A 78 12.267 11.060 -3.312 1.00 0.00 O ATOM 1235 CB LYS A 78 13.640 9.390 -4.959 1.00 0.00 C ATOM 1236 CG LYS A 78 14.372 8.171 -5.495 1.00 0.00 C ATOM 1237 CD LYS A 78 15.737 8.541 -6.051 1.00 0.00 C ATOM 1238 CE LYS A 78 16.772 7.468 -5.748 1.00 0.00 C ATOM 1239 NZ LYS A 78 17.087 7.397 -4.294 1.00 0.00 N ATOM 0 H LYS A 78 11.696 9.880 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 78 11.963 8.231 -4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.806 10.229 -5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.068 9.666 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.489 7.436 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.775 7.701 -6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.665 8.685 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.060 9.490 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.402 6.500 -6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.684 7.675 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.011 6.938 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.118 8.358 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.353 6.845 -3.806 1.00 0.00 H new ATOM 1253 N GLN A 79 10.214 10.405 -3.962 1.00 0.00 N ATOM 1254 CA GLN A 79 9.524 11.439 -3.202 1.00 0.00 C ATOM 1255 C GLN A 79 9.558 11.131 -1.708 1.00 0.00 C ATOM 1256 O GLN A 79 10.579 10.693 -1.177 1.00 0.00 O ATOM 1257 CB GLN A 79 8.075 11.568 -3.675 1.00 0.00 C ATOM 1258 CG GLN A 79 7.929 12.309 -4.994 1.00 0.00 C ATOM 1259 CD GLN A 79 6.681 11.907 -5.754 1.00 0.00 C ATOM 1260 OE1 GLN A 79 5.705 12.657 -5.810 1.00 0.00 O ATOM 1261 NE2 GLN A 79 6.705 10.719 -6.346 1.00 0.00 N ATOM 0 H GLN A 79 9.598 9.785 -4.487 1.00 0.00 H new ATOM 0 HA GLN A 79 10.040 12.384 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.645 10.572 -3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.497 12.087 -2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 79 7.904 13.382 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.805 12.116 -5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.535 10.130 -6.274 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.894 10.395 -6.873 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 2.688 -2.220 -32.015 1.00 0.00 P HETATM 1272 O25 PNS A 137 1.875 -1.066 -32.797 1.00 0.00 O HETATM 1273 O26 PNS A 137 4.128 -2.232 -32.352 1.00 0.00 O HETATM 1274 O27 PNS A 137 1.927 -3.597 -32.363 1.00 0.00 O HETATM 1275 C28 PNS A 137 2.598 -4.861 -32.344 1.00 0.00 C HETATM 1276 C29 PNS A 137 1.645 -6.072 -32.425 1.00 0.00 C HETATM 1277 C30 PNS A 137 0.722 -5.900 -33.647 1.00 0.00 C HETATM 1278 C31 PNS A 137 0.794 -6.086 -31.138 1.00 0.00 C HETATM 1279 C32 PNS A 137 2.521 -7.344 -32.519 1.00 0.00 C HETATM 1280 O33 PNS A 137 3.295 -7.348 -33.724 1.00 0.00 O HETATM 1281 C34 PNS A 137 1.767 -8.697 -32.458 1.00 0.00 C HETATM 1282 O35 PNS A 137 0.579 -8.794 -32.781 1.00 0.00 O HETATM 1283 N36 PNS A 137 2.430 -9.791 -32.059 1.00 0.00 N HETATM 1284 C37 PNS A 137 3.856 -9.860 -31.683 1.00 0.00 C HETATM 1285 C38 PNS A 137 4.287 -11.330 -31.656 1.00 0.00 C HETATM 1286 C39 PNS A 137 5.820 -11.466 -31.527 1.00 0.00 C HETATM 1287 O40 PNS A 137 6.522 -11.160 -32.491 1.00 0.00 O HETATM 1288 N41 PNS A 137 6.349 -11.903 -30.377 1.00 0.00 N HETATM 1289 C42 PNS A 137 5.628 -12.314 -29.154 1.00 0.00 C HETATM 1290 C43 PNS A 137 6.627 -12.685 -28.059 1.00 0.00 C HETATM 1291 S44 PNS A 137 7.684 -14.122 -28.480 1.00 0.00 S HETATM 0 H432 PNS A 137 7.264 -11.825 -27.854 1.00 0.00 H new HETATM 0 H431 PNS A 137 6.081 -12.903 -27.141 1.00 0.00 H new HETATM 0 H422 PNS A 137 4.981 -13.164 -29.371 1.00 0.00 H new HETATM 0 H421 PNS A 137 4.985 -11.504 -28.811 1.00 0.00 H new HETATM 0 H382 PNS A 137 3.952 -11.826 -32.567 1.00 0.00 H new HETATM 0 H381 PNS A 137 3.804 -11.837 -30.821 1.00 0.00 H new HETATM 0 H372 PNS A 137 4.012 -9.403 -30.706 1.00 0.00 H new HETATM 0 H371 PNS A 137 4.462 -9.302 -32.396 1.00 0.00 H new HETATM 0 H313 PNS A 137 0.108 -6.933 -31.165 1.00 0.00 H new HETATM 0 H312 PNS A 137 0.224 -5.159 -31.069 1.00 0.00 H new HETATM 0 H311 PNS A 137 1.448 -6.176 -30.270 1.00 0.00 H new HETATM 0 H303 PNS A 137 0.044 -6.751 -33.714 1.00 0.00 H new HETATM 0 H302 PNS A 137 1.325 -5.845 -34.553 1.00 0.00 H new HETATM 0 H301 PNS A 137 0.143 -4.983 -33.540 1.00 0.00 H new HETATM 0 H282 PNS A 137 3.188 -4.935 -31.431 1.00 0.00 H new HETATM 0 H281 PNS A 137 3.297 -4.904 -33.179 1.00 0.00 H new HETATM 0 H44 PNS A 137 8.500 -14.363 -27.497 1.00 0.00 H new HETATM 0 H41 PNS A 137 7.367 -11.959 -30.341 1.00 0.00 H new HETATM 0 H36 PNS A 137 1.898 -10.660 -32.010 1.00 0.00 H new HETATM 0 H33 PNS A 137 2.870 -7.935 -34.384 1.00 0.00 H new HETATM 0 H32 PNS A 137 3.139 -7.279 -31.624 1.00 0.00 H new