USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot -122:sc= 0.0208 USER MOD Set 1.2: A 34 THR OG1 : rot 104:sc= 0.112! USER MOD Single : A 0 MET CE :methyl -127:sc= -0.026 (180deg=-0.462) USER MOD Single : A 0 MET N :NH3+ -167:sc= -0.344 (180deg=-0.891) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -88:sc= -4.15! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 141:sc= -0.251 (180deg=-1.94!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -5.18! C(o=-5.2!,f=-3.4!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.121 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= -0.226 (180deg=-0.366) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -67:sc= 0.912 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.622! USER MOD Single : A 55 LYS NZ :NH3+ 141:sc= -0.446 (180deg=-0.677) USER MOD Single : A 56 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.34) USER MOD Single : A 62 SER OG : rot 180:sc= -0.863! USER MOD Single : A 67 GLN : amide:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0261) USER MOD Single : A 74 SER OG : rot 94:sc= 0.149 USER MOD Single : A 75 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -14.694 -7.454 -4.196 1.00 0.00 N ATOM 2 CA MET A 0 -14.498 -6.624 -2.974 1.00 0.00 C ATOM 3 C MET A 0 -15.788 -6.615 -2.153 1.00 0.00 C ATOM 4 O MET A 0 -16.809 -7.118 -2.577 1.00 0.00 O ATOM 5 CB MET A 0 -14.143 -5.190 -3.376 1.00 0.00 C ATOM 6 CG MET A 0 -13.388 -5.196 -4.708 1.00 0.00 C ATOM 7 SD MET A 0 -12.904 -3.506 -5.134 1.00 0.00 S ATOM 8 CE MET A 0 -14.534 -2.924 -5.662 1.00 0.00 C ATOM 0 H1 MET A 0 -13.772 -7.644 -4.638 1.00 0.00 H new ATOM 0 H2 MET A 0 -15.145 -8.354 -3.936 1.00 0.00 H new ATOM 0 H3 MET A 0 -15.302 -6.944 -4.868 1.00 0.00 H new ATOM 0 HA MET A 0 -13.687 -7.044 -2.379 1.00 0.00 H new ATOM 0 HB2 MET A 0 -15.050 -4.592 -3.465 1.00 0.00 H new ATOM 0 HB3 MET A 0 -13.530 -4.727 -2.602 1.00 0.00 H new ATOM 0 HG2 MET A 0 -12.505 -5.831 -4.635 1.00 0.00 H new ATOM 0 HG3 MET A 0 -14.018 -5.614 -5.493 1.00 0.00 H new ATOM 0 HE1 MET A 0 -14.460 -2.490 -6.659 1.00 0.00 H new ATOM 0 HE2 MET A 0 -15.231 -3.762 -5.681 1.00 0.00 H new ATOM 0 HE3 MET A 0 -14.894 -2.169 -4.964 1.00 0.00 H new ATOM 18 N LYS A 1 -15.753 -6.041 -0.981 1.00 0.00 N ATOM 19 CA LYS A 1 -16.980 -5.998 -0.139 1.00 0.00 C ATOM 20 C LYS A 1 -17.940 -4.941 -0.697 1.00 0.00 C ATOM 21 O LYS A 1 -18.951 -5.260 -1.293 1.00 0.00 O ATOM 22 CB LYS A 1 -16.602 -5.646 1.305 1.00 0.00 C ATOM 23 CG LYS A 1 -15.242 -6.261 1.648 1.00 0.00 C ATOM 24 CD LYS A 1 -15.317 -6.928 3.023 1.00 0.00 C ATOM 25 CE LYS A 1 -14.194 -7.959 3.158 1.00 0.00 C ATOM 26 NZ LYS A 1 -13.401 -7.671 4.387 1.00 0.00 N ATOM 0 H LYS A 1 -14.929 -5.601 -0.572 1.00 0.00 H new ATOM 0 HA LYS A 1 -17.467 -6.973 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.564 -4.564 1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -17.363 -6.017 1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.961 -6.993 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.471 -5.490 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -15.230 -6.176 3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.285 -7.412 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.613 -8.964 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.549 -7.927 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.638 -8.371 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.990 -6.718 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.021 -7.723 5.220 1.00 0.00 H new ATOM 40 N SER A 2 -17.632 -3.685 -0.515 1.00 0.00 N ATOM 41 CA SER A 2 -18.528 -2.609 -1.042 1.00 0.00 C ATOM 42 C SER A 2 -18.118 -1.285 -0.441 1.00 0.00 C ATOM 43 O SER A 2 -17.691 -0.421 -1.164 1.00 0.00 O ATOM 44 CB SER A 2 -19.985 -2.888 -0.718 1.00 0.00 C ATOM 45 OG SER A 2 -20.076 -3.890 0.287 1.00 0.00 O ATOM 0 H SER A 2 -16.800 -3.355 -0.025 1.00 0.00 H new ATOM 0 HA SER A 2 -18.427 -2.579 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.472 -1.974 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.510 -3.213 -1.616 1.00 0.00 H new ATOM 0 HG SER A 2 -20.080 -4.775 -0.133 1.00 0.00 H new ATOM 51 N PRO A 3 -18.208 -1.187 0.868 1.00 0.00 N ATOM 52 CA PRO A 3 -17.777 0.004 1.582 1.00 0.00 C ATOM 53 C PRO A 3 -16.323 0.161 1.177 1.00 0.00 C ATOM 54 O PRO A 3 -15.471 -0.374 1.840 1.00 0.00 O ATOM 55 CB PRO A 3 -17.891 -0.353 3.070 1.00 0.00 C ATOM 56 CG PRO A 3 -18.474 -1.781 3.153 1.00 0.00 C ATOM 57 CD PRO A 3 -18.735 -2.247 1.715 1.00 0.00 C ATOM 0 HA PRO A 3 -18.341 0.914 1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.915 -0.307 3.553 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -18.536 0.357 3.588 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -17.778 -2.453 3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -19.397 -1.787 3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -18.239 -3.196 1.513 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.800 -2.400 1.538 1.00 0.00 H new ATOM 65 N GLU A 4 -16.081 0.807 0.045 1.00 0.00 N ATOM 66 CA GLU A 4 -14.714 0.944 -0.567 1.00 0.00 C ATOM 67 C GLU A 4 -13.702 0.731 0.492 1.00 0.00 C ATOM 68 O GLU A 4 -13.033 1.605 1.001 1.00 0.00 O ATOM 69 CB GLU A 4 -14.563 2.337 -1.177 1.00 0.00 C ATOM 70 CG GLU A 4 -15.021 2.313 -2.636 1.00 0.00 C ATOM 71 CD GLU A 4 -15.938 3.509 -2.902 1.00 0.00 C ATOM 72 OE1 GLU A 4 -16.436 4.074 -1.942 1.00 0.00 O ATOM 73 OE2 GLU A 4 -16.130 3.839 -4.061 1.00 0.00 O ATOM 0 H GLU A 4 -16.814 1.263 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.576 0.205 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.154 3.058 -0.612 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.524 2.660 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.157 2.348 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.548 1.383 -2.848 1.00 0.00 H new ATOM 80 N GLU A 5 -13.645 -0.513 0.816 1.00 0.00 N ATOM 81 CA GLU A 5 -12.758 -0.985 1.854 1.00 0.00 C ATOM 82 C GLU A 5 -11.319 -0.780 1.397 1.00 0.00 C ATOM 83 O GLU A 5 -10.384 -0.965 2.148 1.00 0.00 O ATOM 84 CB GLU A 5 -13.030 -2.470 2.104 1.00 0.00 C ATOM 85 CG GLU A 5 -12.997 -2.746 3.606 1.00 0.00 C ATOM 86 CD GLU A 5 -11.775 -3.602 3.945 1.00 0.00 C ATOM 87 OE1 GLU A 5 -11.460 -4.485 3.165 1.00 0.00 O ATOM 88 OE2 GLU A 5 -11.175 -3.358 4.980 1.00 0.00 O ATOM 0 H GLU A 5 -14.207 -1.243 0.377 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.923 -0.434 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.001 -2.747 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.283 -3.079 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.960 -1.807 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.909 -3.259 3.912 1.00 0.00 H new ATOM 95 N LEU A 6 -11.134 -0.377 0.163 1.00 0.00 N ATOM 96 CA LEU A 6 -9.755 -0.143 -0.332 1.00 0.00 C ATOM 97 C LEU A 6 -9.354 1.230 0.129 1.00 0.00 C ATOM 98 O LEU A 6 -8.243 1.471 0.556 1.00 0.00 O ATOM 99 CB LEU A 6 -9.698 -0.234 -1.865 1.00 0.00 C ATOM 100 CG LEU A 6 -10.967 0.357 -2.487 1.00 0.00 C ATOM 101 CD1 LEU A 6 -10.595 1.204 -3.707 1.00 0.00 C ATOM 102 CD2 LEU A 6 -11.894 -0.779 -2.924 1.00 0.00 C ATOM 0 H LEU A 6 -11.877 -0.203 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.075 -0.901 0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.823 0.300 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.588 -1.275 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 6 -11.473 0.982 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.499 1.624 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.932 2.013 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.089 0.579 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.798 -0.361 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.384 -1.402 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -12.161 -1.384 -2.058 1.00 0.00 H new ATOM 114 N LYS A 7 -10.279 2.124 0.074 1.00 0.00 N ATOM 115 CA LYS A 7 -10.025 3.484 0.532 1.00 0.00 C ATOM 116 C LYS A 7 -9.969 3.496 2.067 1.00 0.00 C ATOM 117 O LYS A 7 -9.486 4.428 2.676 1.00 0.00 O ATOM 118 CB LYS A 7 -11.185 4.300 -0.012 1.00 0.00 C ATOM 119 CG LYS A 7 -11.756 5.219 1.060 1.00 0.00 C ATOM 120 CD LYS A 7 -12.731 4.377 1.889 1.00 0.00 C ATOM 121 CE LYS A 7 -13.970 4.069 1.050 1.00 0.00 C ATOM 122 NZ LYS A 7 -15.015 5.101 1.301 1.00 0.00 N ATOM 0 H LYS A 7 -11.222 1.959 -0.279 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.075 3.893 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.850 4.893 -0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.965 3.632 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.961 5.621 1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.267 6.070 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.252 3.450 2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.015 4.914 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.709 4.051 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.354 3.080 1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.857 4.889 0.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.271 5.097 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.647 6.038 1.041 1.00 0.00 H new ATOM 136 N GLY A 8 -10.481 2.468 2.689 1.00 0.00 N ATOM 137 CA GLY A 8 -10.486 2.411 4.179 1.00 0.00 C ATOM 138 C GLY A 8 -9.176 1.816 4.692 1.00 0.00 C ATOM 139 O GLY A 8 -8.578 2.327 5.615 1.00 0.00 O ATOM 0 H GLY A 8 -10.898 1.661 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.623 3.412 4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.326 1.809 4.524 1.00 0.00 H new ATOM 143 N ILE A 9 -8.717 0.747 4.106 1.00 0.00 N ATOM 144 CA ILE A 9 -7.442 0.145 4.578 1.00 0.00 C ATOM 145 C ILE A 9 -6.354 1.198 4.466 1.00 0.00 C ATOM 146 O ILE A 9 -5.938 1.803 5.429 1.00 0.00 O ATOM 147 CB ILE A 9 -7.087 -1.074 3.705 1.00 0.00 C ATOM 148 CG1 ILE A 9 -5.572 -1.321 3.718 1.00 0.00 C ATOM 149 CG2 ILE A 9 -7.564 -0.882 2.261 1.00 0.00 C ATOM 150 CD1 ILE A 9 -5.304 -2.814 3.916 1.00 0.00 C ATOM 0 H ILE A 9 -9.166 0.267 3.326 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.539 -0.187 5.612 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.598 -1.940 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.129 -0.981 2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.105 -0.747 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.299 -1.759 1.671 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.646 -0.751 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.087 0.000 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.229 -2.993 3.926 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.734 -3.138 4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.758 -3.376 3.100 1.00 0.00 H new ATOM 162 N PHE A 10 -5.909 1.404 3.279 1.00 0.00 N ATOM 163 CA PHE A 10 -4.845 2.408 3.017 1.00 0.00 C ATOM 164 C PHE A 10 -5.047 3.652 3.879 1.00 0.00 C ATOM 165 O PHE A 10 -4.308 3.923 4.802 1.00 0.00 O ATOM 166 CB PHE A 10 -4.948 2.836 1.569 1.00 0.00 C ATOM 167 CG PHE A 10 -3.866 3.841 1.271 1.00 0.00 C ATOM 168 CD1 PHE A 10 -2.597 3.404 0.874 1.00 0.00 C ATOM 169 CD2 PHE A 10 -4.127 5.211 1.403 1.00 0.00 C ATOM 170 CE1 PHE A 10 -1.590 4.338 0.606 1.00 0.00 C ATOM 171 CE2 PHE A 10 -3.119 6.142 1.135 1.00 0.00 C ATOM 172 CZ PHE A 10 -1.851 5.706 0.737 1.00 0.00 C ATOM 0 H PHE A 10 -6.240 0.911 2.450 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.877 1.962 3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.848 1.971 0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.928 3.271 1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.395 2.348 0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.106 5.548 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.611 4.002 0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.320 7.198 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.073 6.426 0.531 1.00 0.00 H new ATOM 182 N GLU A 11 -6.036 4.427 3.541 1.00 0.00 N ATOM 183 CA GLU A 11 -6.314 5.693 4.286 1.00 0.00 C ATOM 184 C GLU A 11 -6.115 5.499 5.793 1.00 0.00 C ATOM 185 O GLU A 11 -5.535 6.334 6.458 1.00 0.00 O ATOM 186 CB GLU A 11 -7.755 6.133 4.024 1.00 0.00 C ATOM 187 CG GLU A 11 -8.094 7.323 4.921 1.00 0.00 C ATOM 188 CD GLU A 11 -8.504 8.517 4.056 1.00 0.00 C ATOM 189 OE1 GLU A 11 -7.624 9.254 3.643 1.00 0.00 O ATOM 190 OE2 GLU A 11 -9.691 8.674 3.823 1.00 0.00 O ATOM 0 H GLU A 11 -6.676 4.238 2.769 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.617 6.455 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.878 6.407 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.440 5.308 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.903 7.059 5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.233 7.585 5.536 1.00 0.00 H new ATOM 197 N LYS A 12 -6.598 4.422 6.347 1.00 0.00 N ATOM 198 CA LYS A 12 -6.433 4.216 7.817 1.00 0.00 C ATOM 199 C LYS A 12 -4.947 4.069 8.143 1.00 0.00 C ATOM 200 O LYS A 12 -4.459 4.599 9.121 1.00 0.00 O ATOM 201 CB LYS A 12 -7.222 2.970 8.270 1.00 0.00 C ATOM 202 CG LYS A 12 -6.311 1.736 8.369 1.00 0.00 C ATOM 203 CD LYS A 12 -5.456 1.827 9.638 1.00 0.00 C ATOM 204 CE LYS A 12 -5.970 0.825 10.673 1.00 0.00 C ATOM 205 NZ LYS A 12 -6.020 -0.534 10.063 1.00 0.00 N ATOM 0 H LYS A 12 -7.095 3.681 5.853 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.827 5.078 8.354 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.684 3.162 9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.030 2.773 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.913 0.828 8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.669 1.674 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.412 1.619 9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.495 2.838 10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.318 0.820 11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.962 1.118 11.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.715 -1.240 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.993 -0.743 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.387 -0.568 9.239 1.00 0.00 H new ATOM 219 N TYR A 13 -4.226 3.348 7.329 1.00 0.00 N ATOM 220 CA TYR A 13 -2.772 3.155 7.581 1.00 0.00 C ATOM 221 C TYR A 13 -2.032 4.483 7.443 1.00 0.00 C ATOM 222 O TYR A 13 -0.840 4.566 7.660 1.00 0.00 O ATOM 223 CB TYR A 13 -2.223 2.127 6.600 1.00 0.00 C ATOM 224 CG TYR A 13 -2.407 0.769 7.219 1.00 0.00 C ATOM 225 CD1 TYR A 13 -1.488 0.311 8.168 1.00 0.00 C ATOM 226 CD2 TYR A 13 -3.510 -0.017 6.871 1.00 0.00 C ATOM 227 CE1 TYR A 13 -1.666 -0.936 8.770 1.00 0.00 C ATOM 228 CE2 TYR A 13 -3.687 -1.267 7.471 1.00 0.00 C ATOM 229 CZ TYR A 13 -2.767 -1.725 8.420 1.00 0.00 C ATOM 230 OH TYR A 13 -2.945 -2.957 9.007 1.00 0.00 O ATOM 0 H TYR A 13 -4.585 2.882 6.496 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.624 2.790 8.597 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.748 2.188 5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.169 2.316 6.396 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.639 0.923 8.436 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.222 0.340 6.142 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.956 -1.290 9.503 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.535 -1.880 7.202 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.976 -3.648 8.313 1.00 0.00 H new ATOM 240 N ASP A 15 -2.740 5.529 7.122 1.00 0.00 N ATOM 241 CA ASP A 15 -2.124 6.861 7.015 1.00 0.00 C ATOM 242 C ASP A 15 -2.121 7.470 8.422 1.00 0.00 C ATOM 243 O ASP A 15 -2.540 8.592 8.631 1.00 0.00 O ATOM 244 CB ASP A 15 -2.990 7.705 6.085 1.00 0.00 C ATOM 245 CG ASP A 15 -2.097 8.566 5.192 1.00 0.00 C ATOM 246 OD1 ASP A 15 -0.887 8.454 5.313 1.00 0.00 O ATOM 247 OD2 ASP A 15 -2.636 9.323 4.401 1.00 0.00 O ATOM 0 H ASP A 15 -3.741 5.506 6.927 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.108 6.814 6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.619 7.059 5.472 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.657 8.339 6.669 1.00 0.00 H new ATOM 252 N LYS A 16 -1.677 6.711 9.396 1.00 0.00 N ATOM 253 CA LYS A 16 -1.670 7.202 10.804 1.00 0.00 C ATOM 254 C LYS A 16 -0.487 8.152 11.030 1.00 0.00 C ATOM 255 O LYS A 16 -0.214 8.558 12.143 1.00 0.00 O ATOM 256 CB LYS A 16 -1.551 6.006 11.769 1.00 0.00 C ATOM 257 CG LYS A 16 -2.086 4.722 11.108 1.00 0.00 C ATOM 258 CD LYS A 16 -2.280 3.634 12.168 1.00 0.00 C ATOM 259 CE LYS A 16 -3.588 3.877 12.923 1.00 0.00 C ATOM 260 NZ LYS A 16 -3.718 2.880 14.022 1.00 0.00 N ATOM 0 H LYS A 16 -1.317 5.765 9.271 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.600 7.738 10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.509 5.866 12.057 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.109 6.211 12.682 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.032 4.927 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.389 4.378 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.299 2.652 11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.441 3.637 12.864 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.603 4.888 13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.435 3.796 12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.607 3.044 14.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.722 1.920 13.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.916 2.979 14.677 1.00 0.00 H new ATOM 274 N GLU A 17 0.210 8.522 9.989 1.00 0.00 N ATOM 275 CA GLU A 17 1.360 9.457 10.159 1.00 0.00 C ATOM 276 C GLU A 17 0.920 10.873 9.778 1.00 0.00 C ATOM 277 O GLU A 17 1.367 11.849 10.347 1.00 0.00 O ATOM 278 CB GLU A 17 2.516 9.022 9.257 1.00 0.00 C ATOM 279 CG GLU A 17 3.801 9.727 9.696 1.00 0.00 C ATOM 280 CD GLU A 17 4.561 10.218 8.461 1.00 0.00 C ATOM 281 OE1 GLU A 17 4.381 9.630 7.407 1.00 0.00 O ATOM 282 OE2 GLU A 17 5.309 11.172 8.590 1.00 0.00 O ATOM 0 H GLU A 17 0.034 8.218 9.031 1.00 0.00 H new ATOM 0 HA GLU A 17 1.690 9.442 11.198 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.646 7.941 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.292 9.265 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.563 10.568 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.425 9.044 10.272 1.00 0.00 H new ATOM 289 N GLY A 18 0.036 10.989 8.823 1.00 0.00 N ATOM 290 CA GLY A 18 -0.448 12.330 8.408 1.00 0.00 C ATOM 291 C GLY A 18 0.369 12.843 7.217 1.00 0.00 C ATOM 292 O GLY A 18 0.768 13.990 7.178 1.00 0.00 O ATOM 0 H GLY A 18 -0.372 10.206 8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.503 12.276 8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.367 13.028 9.241 1.00 0.00 H new ATOM 296 N ASP A 19 0.622 12.007 6.246 1.00 0.00 N ATOM 297 CA ASP A 19 1.413 12.463 5.067 1.00 0.00 C ATOM 298 C ASP A 19 0.576 12.346 3.781 1.00 0.00 C ATOM 299 O ASP A 19 0.947 12.860 2.745 1.00 0.00 O ATOM 300 CB ASP A 19 2.673 11.610 4.943 1.00 0.00 C ATOM 301 CG ASP A 19 3.320 11.841 3.575 1.00 0.00 C ATOM 302 OD1 ASP A 19 2.801 11.319 2.601 1.00 0.00 O ATOM 303 OD2 ASP A 19 4.322 12.534 3.525 1.00 0.00 O ATOM 0 H ASP A 19 0.317 11.034 6.218 1.00 0.00 H new ATOM 0 HA ASP A 19 1.690 13.508 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.376 11.865 5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.424 10.556 5.065 1.00 0.00 H new ATOM 308 N GLY A 20 -0.544 11.672 3.835 1.00 0.00 N ATOM 309 CA GLY A 20 -1.389 11.525 2.616 1.00 0.00 C ATOM 310 C GLY A 20 -1.049 10.204 1.927 1.00 0.00 C ATOM 311 O GLY A 20 -1.906 9.526 1.397 1.00 0.00 O ATOM 0 H GLY A 20 -0.909 11.217 4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.445 11.547 2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.216 12.359 1.936 1.00 0.00 H new ATOM 315 N GLN A 22 0.203 9.841 1.926 1.00 0.00 N ATOM 316 CA GLN A 22 0.622 8.579 1.272 1.00 0.00 C ATOM 317 C GLN A 22 1.554 7.797 2.193 1.00 0.00 C ATOM 318 O GLN A 22 1.947 8.268 3.241 1.00 0.00 O ATOM 319 CB GLN A 22 1.348 8.919 -0.026 1.00 0.00 C ATOM 320 CG GLN A 22 2.339 10.057 0.229 1.00 0.00 C ATOM 321 CD GLN A 22 3.059 10.414 -1.075 1.00 0.00 C ATOM 322 OE1 GLN A 22 3.618 11.485 -1.197 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.068 9.559 -2.063 1.00 0.00 N ATOM 0 H GLN A 22 0.959 10.374 2.356 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.254 7.966 1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.874 8.041 -0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.630 9.212 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.814 10.930 0.617 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.064 9.759 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.599 8.659 -1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.544 9.792 -2.935 1.00 0.00 H new ATOM 332 N LEU A 23 1.898 6.592 1.819 1.00 0.00 N ATOM 333 CA LEU A 23 2.779 5.778 2.684 1.00 0.00 C ATOM 334 C LEU A 23 4.159 5.605 2.099 1.00 0.00 C ATOM 335 O LEU A 23 4.323 5.177 0.975 1.00 0.00 O ATOM 336 CB LEU A 23 2.268 4.353 2.786 1.00 0.00 C ATOM 337 CG LEU A 23 0.767 4.283 2.869 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.346 2.977 2.177 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.395 4.248 4.358 1.00 0.00 C ATOM 0 H LEU A 23 1.603 6.143 0.952 1.00 0.00 H new ATOM 0 HA LEU A 23 2.798 6.308 3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.607 3.786 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.700 3.878 3.667 1.00 0.00 H new ATOM 0 HG LEU A 23 0.274 5.130 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.739 2.880 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.676 2.993 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.802 2.130 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.689 4.197 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.846 3.372 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.764 5.150 4.846 1.00 0.00 H new ATOM 351 N SER A 24 5.150 5.749 2.903 1.00 0.00 N ATOM 352 CA SER A 24 6.486 5.388 2.411 1.00 0.00 C ATOM 353 C SER A 24 6.423 3.875 2.535 1.00 0.00 C ATOM 354 O SER A 24 5.493 3.379 3.142 1.00 0.00 O ATOM 355 CB SER A 24 7.578 5.967 3.316 1.00 0.00 C ATOM 356 OG SER A 24 8.705 5.100 3.308 1.00 0.00 O ATOM 0 H SER A 24 5.099 6.094 3.862 1.00 0.00 H new ATOM 0 HA SER A 24 6.722 5.757 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.866 6.959 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.201 6.082 4.332 1.00 0.00 H new ATOM 0 HG SER A 24 9.406 5.469 3.885 1.00 0.00 H new ATOM 362 N LYS A 25 7.310 3.097 2.013 1.00 0.00 N ATOM 363 CA LYS A 25 7.087 1.642 2.226 1.00 0.00 C ATOM 364 C LYS A 25 7.132 1.320 3.726 1.00 0.00 C ATOM 365 O LYS A 25 6.823 0.220 4.138 1.00 0.00 O ATOM 366 CB LYS A 25 8.068 0.775 1.444 1.00 0.00 C ATOM 367 CG LYS A 25 7.317 0.135 0.292 1.00 0.00 C ATOM 368 CD LYS A 25 7.193 -1.363 0.565 1.00 0.00 C ATOM 369 CE LYS A 25 8.588 -1.992 0.573 1.00 0.00 C ATOM 370 NZ LYS A 25 8.733 -2.870 1.767 1.00 0.00 N ATOM 0 H LYS A 25 8.134 3.372 1.479 1.00 0.00 H new ATOM 0 HA LYS A 25 6.097 1.401 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.895 1.379 1.070 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.498 0.010 2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.329 0.584 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.845 0.306 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.700 -1.530 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.574 -1.834 -0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.742 -2.571 -0.338 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.350 -1.212 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.532 -3.521 1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.909 -2.285 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.860 -3.418 1.903 1.00 0.00 H new ATOM 384 N GLU A 26 7.481 2.276 4.553 1.00 0.00 N ATOM 385 CA GLU A 26 7.497 2.021 6.019 1.00 0.00 C ATOM 386 C GLU A 26 6.046 1.959 6.516 1.00 0.00 C ATOM 387 O GLU A 26 5.725 1.222 7.419 1.00 0.00 O ATOM 388 CB GLU A 26 8.235 3.156 6.735 1.00 0.00 C ATOM 389 CG GLU A 26 8.411 2.795 8.211 1.00 0.00 C ATOM 390 CD GLU A 26 9.568 1.805 8.362 1.00 0.00 C ATOM 391 OE1 GLU A 26 10.703 2.250 8.389 1.00 0.00 O ATOM 392 OE2 GLU A 26 9.297 0.619 8.447 1.00 0.00 O ATOM 0 H GLU A 26 7.754 3.218 4.273 1.00 0.00 H new ATOM 0 HA GLU A 26 8.008 1.081 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.207 3.322 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.674 4.086 6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.610 3.694 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.492 2.358 8.601 1.00 0.00 H new ATOM 399 N GLU A 27 5.171 2.734 5.920 1.00 0.00 N ATOM 400 CA GLU A 27 3.729 2.732 6.327 1.00 0.00 C ATOM 401 C GLU A 27 2.961 1.724 5.466 1.00 0.00 C ATOM 402 O GLU A 27 1.922 1.225 5.848 1.00 0.00 O ATOM 403 CB GLU A 27 3.148 4.131 6.122 1.00 0.00 C ATOM 404 CG GLU A 27 3.610 5.042 7.261 1.00 0.00 C ATOM 405 CD GLU A 27 3.950 6.425 6.704 1.00 0.00 C ATOM 406 OE1 GLU A 27 3.719 6.642 5.526 1.00 0.00 O ATOM 407 OE2 GLU A 27 4.436 7.245 7.465 1.00 0.00 O ATOM 0 H GLU A 27 5.397 3.375 5.160 1.00 0.00 H new ATOM 0 HA GLU A 27 3.641 2.452 7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.473 4.535 5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.059 4.085 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.827 5.125 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.482 4.612 7.753 1.00 0.00 H new ATOM 414 N LEU A 28 3.469 1.433 4.303 1.00 0.00 N ATOM 415 CA LEU A 28 2.789 0.470 3.388 1.00 0.00 C ATOM 416 C LEU A 28 3.114 -0.974 3.798 1.00 0.00 C ATOM 417 O LEU A 28 2.223 -1.735 4.122 1.00 0.00 O ATOM 418 CB LEU A 28 3.264 0.777 1.967 1.00 0.00 C ATOM 419 CG LEU A 28 2.849 -0.317 0.995 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.633 0.156 0.197 1.00 0.00 C ATOM 421 CD2 LEU A 28 4.014 -0.580 0.042 1.00 0.00 C ATOM 0 H LEU A 28 4.338 1.825 3.941 1.00 0.00 H new ATOM 0 HA LEU A 28 1.705 0.574 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.850 1.731 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.349 0.881 1.959 1.00 0.00 H new ATOM 0 HG LEU A 28 2.593 -1.229 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.331 -0.624 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.811 0.370 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.890 1.059 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.737 -1.363 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.251 0.333 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.886 -0.899 0.613 1.00 0.00 H new ATOM 433 N LYS A 29 4.365 -1.363 3.803 1.00 0.00 N ATOM 434 CA LYS A 29 4.706 -2.755 4.218 1.00 0.00 C ATOM 435 C LYS A 29 3.885 -3.123 5.457 1.00 0.00 C ATOM 436 O LYS A 29 3.598 -4.276 5.707 1.00 0.00 O ATOM 437 CB LYS A 29 6.195 -2.835 4.555 1.00 0.00 C ATOM 438 CG LYS A 29 6.497 -4.169 5.243 1.00 0.00 C ATOM 439 CD LYS A 29 7.862 -4.680 4.781 1.00 0.00 C ATOM 440 CE LYS A 29 7.773 -6.177 4.478 1.00 0.00 C ATOM 441 NZ LYS A 29 8.690 -6.925 5.385 1.00 0.00 N ATOM 0 H LYS A 29 5.159 -0.780 3.539 1.00 0.00 H new ATOM 0 HA LYS A 29 4.480 -3.447 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.789 -2.741 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.475 -2.007 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.491 -4.042 6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.723 -4.898 5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.183 -4.137 3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.610 -4.499 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.749 -6.525 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.040 -6.365 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.629 -7.942 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.667 -6.600 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.415 -6.755 6.374 1.00 0.00 H new ATOM 455 N LEU A 30 3.495 -2.143 6.228 1.00 0.00 N ATOM 456 CA LEU A 30 2.679 -2.428 7.441 1.00 0.00 C ATOM 457 C LEU A 30 1.220 -2.560 7.024 1.00 0.00 C ATOM 458 O LEU A 30 0.534 -3.475 7.434 1.00 0.00 O ATOM 459 CB LEU A 30 2.816 -1.285 8.445 1.00 0.00 C ATOM 460 CG LEU A 30 4.222 -0.703 8.358 1.00 0.00 C ATOM 461 CD1 LEU A 30 4.383 0.390 9.418 1.00 0.00 C ATOM 462 CD2 LEU A 30 5.247 -1.812 8.607 1.00 0.00 C ATOM 0 H LEU A 30 3.707 -1.158 6.069 1.00 0.00 H new ATOM 0 HA LEU A 30 3.025 -3.350 7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.077 -0.512 8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.622 -1.647 9.455 1.00 0.00 H new ATOM 0 HG LEU A 30 4.382 -0.277 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.388 0.809 9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.650 1.178 9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.226 -0.038 10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.253 -1.398 8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.090 -2.237 9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.129 -2.592 7.855 1.00 0.00 H new ATOM 474 N LEU A 31 0.739 -1.663 6.194 1.00 0.00 N ATOM 475 CA LEU A 31 -0.676 -1.765 5.736 1.00 0.00 C ATOM 476 C LEU A 31 -0.929 -3.224 5.371 1.00 0.00 C ATOM 477 O LEU A 31 -2.023 -3.738 5.495 1.00 0.00 O ATOM 478 CB LEU A 31 -0.901 -0.841 4.522 1.00 0.00 C ATOM 479 CG LEU A 31 -0.770 -1.617 3.203 1.00 0.00 C ATOM 480 CD1 LEU A 31 -2.079 -2.351 2.906 1.00 0.00 C ATOM 481 CD2 LEU A 31 -0.473 -0.641 2.065 1.00 0.00 C ATOM 0 H LEU A 31 1.264 -0.873 5.819 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.368 -1.451 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.891 -0.389 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.176 -0.027 4.542 1.00 0.00 H new ATOM 0 HG LEU A 31 0.042 -2.339 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.984 -2.901 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.297 -3.048 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.890 -1.628 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.380 -1.191 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.286 0.080 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.459 -0.115 2.271 1.00 0.00 H new ATOM 493 N LEU A 32 0.104 -3.894 4.938 1.00 0.00 N ATOM 494 CA LEU A 32 -0.026 -5.326 4.582 1.00 0.00 C ATOM 495 C LEU A 32 -0.723 -6.065 5.722 1.00 0.00 C ATOM 496 O LEU A 32 -1.850 -6.500 5.612 1.00 0.00 O ATOM 497 CB LEU A 32 1.386 -5.905 4.401 1.00 0.00 C ATOM 498 CG LEU A 32 1.320 -7.399 4.075 1.00 0.00 C ATOM 499 CD1 LEU A 32 0.950 -8.211 5.328 1.00 0.00 C ATOM 500 CD2 LEU A 32 0.284 -7.620 2.979 1.00 0.00 C ATOM 0 H LEU A 32 1.038 -3.503 4.816 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.606 -5.438 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.902 -5.375 3.600 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.967 -5.751 5.310 1.00 0.00 H new ATOM 0 HG LEU A 32 2.298 -7.737 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.908 -9.271 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.702 -8.051 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.023 -7.887 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.229 -8.682 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.691 -7.275 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.572 -7.061 2.088 1.00 0.00 H new ATOM 512 N GLN A 33 -0.021 -6.243 6.802 1.00 0.00 N ATOM 513 CA GLN A 33 -0.569 -6.996 7.966 1.00 0.00 C ATOM 514 C GLN A 33 -1.932 -6.454 8.399 1.00 0.00 C ATOM 515 O GLN A 33 -2.310 -5.345 8.083 1.00 0.00 O ATOM 516 CB GLN A 33 0.411 -6.871 9.134 1.00 0.00 C ATOM 517 CG GLN A 33 1.409 -8.029 9.095 1.00 0.00 C ATOM 518 CD GLN A 33 2.035 -8.205 10.480 1.00 0.00 C ATOM 519 OE1 GLN A 33 1.695 -9.122 11.201 1.00 0.00 O ATOM 520 NE2 GLN A 33 2.945 -7.362 10.883 1.00 0.00 N ATOM 0 H GLN A 33 0.928 -5.893 6.932 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.698 -8.038 7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.940 -5.920 9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.132 -6.878 10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.906 -8.947 8.791 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.185 -7.831 8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.231 -6.592 10.278 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.371 -7.473 11.803 1.00 0.00 H new ATOM 529 N THR A 34 -2.654 -7.239 9.160 1.00 0.00 N ATOM 530 CA THR A 34 -3.985 -6.804 9.677 1.00 0.00 C ATOM 531 C THR A 34 -5.087 -6.972 8.622 1.00 0.00 C ATOM 532 O THR A 34 -6.185 -7.385 8.937 1.00 0.00 O ATOM 533 CB THR A 34 -3.918 -5.334 10.103 1.00 0.00 C ATOM 534 OG1 THR A 34 -2.570 -4.973 10.371 1.00 0.00 O ATOM 535 CG2 THR A 34 -4.758 -5.126 11.363 1.00 0.00 C ATOM 0 H THR A 34 -2.372 -8.176 9.448 1.00 0.00 H new ATOM 0 HA THR A 34 -4.231 -7.435 10.531 1.00 0.00 H new ATOM 0 HB THR A 34 -4.307 -4.710 9.298 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.219 -4.444 9.625 1.00 0.00 H new ATOM 0 HG21 THR A 34 -4.709 -4.080 11.664 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.794 -5.397 11.158 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.371 -5.753 12.166 1.00 0.00 H new ATOM 543 N GLU A 35 -4.834 -6.634 7.385 1.00 0.00 N ATOM 544 CA GLU A 35 -5.922 -6.766 6.367 1.00 0.00 C ATOM 545 C GLU A 35 -5.395 -7.339 5.048 1.00 0.00 C ATOM 546 O GLU A 35 -6.118 -7.409 4.077 1.00 0.00 O ATOM 547 CB GLU A 35 -6.521 -5.385 6.085 1.00 0.00 C ATOM 548 CG GLU A 35 -6.438 -4.509 7.337 1.00 0.00 C ATOM 549 CD GLU A 35 -7.629 -3.551 7.362 1.00 0.00 C ATOM 550 OE1 GLU A 35 -8.713 -3.992 7.707 1.00 0.00 O ATOM 551 OE2 GLU A 35 -7.437 -2.392 7.034 1.00 0.00 O ATOM 0 H GLU A 35 -3.942 -6.280 7.039 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.673 -7.446 6.770 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.986 -4.909 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.560 -5.488 5.772 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.439 -5.132 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.504 -3.947 7.341 1.00 0.00 H new ATOM 558 N PHE A 36 -4.158 -7.739 4.985 1.00 0.00 N ATOM 559 CA PHE A 36 -3.634 -8.283 3.697 1.00 0.00 C ATOM 560 C PHE A 36 -2.609 -9.391 3.967 1.00 0.00 C ATOM 561 O PHE A 36 -1.427 -9.136 3.991 1.00 0.00 O ATOM 562 CB PHE A 36 -2.948 -7.157 2.915 1.00 0.00 C ATOM 563 CG PHE A 36 -3.954 -6.320 2.148 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.196 -6.848 1.758 1.00 0.00 C ATOM 565 CD2 PHE A 36 -3.630 -4.997 1.823 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.103 -6.051 1.048 1.00 0.00 C ATOM 567 CE2 PHE A 36 -4.538 -4.203 1.114 1.00 0.00 C ATOM 568 CZ PHE A 36 -5.773 -4.729 0.728 1.00 0.00 C ATOM 0 H PHE A 36 -3.492 -7.715 5.757 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.465 -8.692 3.123 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.393 -6.520 3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.224 -7.583 2.221 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.451 -7.868 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.676 -4.588 2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.058 -6.457 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.284 -3.183 0.865 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.474 -4.115 0.182 1.00 0.00 H new ATOM 578 N PRO A 37 -3.086 -10.593 4.149 1.00 0.00 N ATOM 579 CA PRO A 37 -2.205 -11.752 4.396 1.00 0.00 C ATOM 580 C PRO A 37 -1.566 -12.219 3.087 1.00 0.00 C ATOM 581 O PRO A 37 -0.368 -12.159 2.895 1.00 0.00 O ATOM 582 CB PRO A 37 -3.158 -12.843 4.874 1.00 0.00 C ATOM 583 CG PRO A 37 -4.561 -12.438 4.373 1.00 0.00 C ATOM 584 CD PRO A 37 -4.529 -10.914 4.147 1.00 0.00 C ATOM 0 HA PRO A 37 -1.407 -11.518 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.868 -13.815 4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.141 -12.926 5.961 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.808 -12.961 3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.325 -12.705 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.000 -10.639 3.203 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.060 -10.380 4.936 1.00 0.00 H new ATOM 592 N SER A 38 -2.385 -12.728 2.208 1.00 0.00 N ATOM 593 CA SER A 38 -1.904 -13.266 0.919 1.00 0.00 C ATOM 594 C SER A 38 -0.788 -12.396 0.328 1.00 0.00 C ATOM 595 O SER A 38 0.162 -12.897 -0.236 1.00 0.00 O ATOM 596 CB SER A 38 -3.070 -13.330 -0.066 1.00 0.00 C ATOM 597 OG SER A 38 -3.806 -12.116 -0.003 1.00 0.00 O ATOM 0 H SER A 38 -3.394 -12.792 2.340 1.00 0.00 H new ATOM 0 HA SER A 38 -1.499 -14.263 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.698 -13.491 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.717 -14.174 0.173 1.00 0.00 H new ATOM 0 HG SER A 38 -4.554 -12.154 -0.635 1.00 0.00 H new ATOM 603 N LEU A 39 -0.902 -11.099 0.429 1.00 0.00 N ATOM 604 CA LEU A 39 0.153 -10.212 -0.149 1.00 0.00 C ATOM 605 C LEU A 39 1.521 -10.576 0.440 1.00 0.00 C ATOM 606 O LEU A 39 2.462 -10.861 -0.273 1.00 0.00 O ATOM 607 CB LEU A 39 -0.173 -8.754 0.180 1.00 0.00 C ATOM 608 CG LEU A 39 -1.043 -8.158 -0.930 1.00 0.00 C ATOM 609 CD1 LEU A 39 -1.605 -6.812 -0.471 1.00 0.00 C ATOM 610 CD2 LEU A 39 -0.197 -7.952 -2.190 1.00 0.00 C ATOM 0 H LEU A 39 -1.676 -10.615 0.884 1.00 0.00 H new ATOM 0 HA LEU A 39 0.182 -10.346 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.694 -8.694 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.748 -8.179 0.282 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.864 -8.840 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.224 -6.388 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.209 -6.956 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.783 -6.131 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.817 -7.528 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.625 -7.271 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.204 -8.910 -2.520 1.00 0.00 H new ATOM 622 N LEU A 40 1.631 -10.567 1.737 1.00 0.00 N ATOM 623 CA LEU A 40 2.924 -10.911 2.396 1.00 0.00 C ATOM 624 C LEU A 40 2.951 -12.420 2.667 1.00 0.00 C ATOM 625 O LEU A 40 3.608 -12.888 3.575 1.00 0.00 O ATOM 626 CB LEU A 40 2.998 -10.158 3.724 1.00 0.00 C ATOM 627 CG LEU A 40 4.245 -9.263 3.798 1.00 0.00 C ATOM 628 CD1 LEU A 40 4.227 -8.229 2.671 1.00 0.00 C ATOM 629 CD2 LEU A 40 4.249 -8.526 5.140 1.00 0.00 C ATOM 0 H LEU A 40 0.873 -10.334 2.378 1.00 0.00 H new ATOM 0 HA LEU A 40 3.766 -10.637 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.103 -9.547 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.012 -10.872 4.547 1.00 0.00 H new ATOM 0 HG LEU A 40 5.134 -9.886 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.117 -7.603 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.214 -8.740 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.337 -7.606 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.131 -7.888 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.351 -7.913 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.268 -9.251 5.953 1.00 0.00 H new ATOM 641 N LYS A 41 2.225 -13.179 1.891 1.00 0.00 N ATOM 642 CA LYS A 41 2.184 -14.653 2.102 1.00 0.00 C ATOM 643 C LYS A 41 2.459 -15.373 0.778 1.00 0.00 C ATOM 644 O LYS A 41 1.694 -16.213 0.347 1.00 0.00 O ATOM 645 CB LYS A 41 0.797 -15.049 2.615 1.00 0.00 C ATOM 646 CG LYS A 41 0.851 -16.465 3.193 1.00 0.00 C ATOM 647 CD LYS A 41 0.214 -16.472 4.584 1.00 0.00 C ATOM 648 CE LYS A 41 -0.698 -17.693 4.727 1.00 0.00 C ATOM 649 NZ LYS A 41 0.128 -18.905 4.991 1.00 0.00 N ATOM 0 H LYS A 41 1.656 -12.838 1.116 1.00 0.00 H new ATOM 0 HA LYS A 41 2.943 -14.936 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.466 -14.345 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.071 -15.004 1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.324 -17.158 2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.885 -16.806 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.989 -16.493 5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.359 -15.558 4.737 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.405 -17.538 5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.284 -17.831 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.493 -19.734 5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.786 -19.056 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.668 -18.772 5.870 1.00 0.00 H new ATOM 663 N GLY A 42 3.547 -15.055 0.129 1.00 0.00 N ATOM 664 CA GLY A 42 3.864 -15.731 -1.162 1.00 0.00 C ATOM 665 C GLY A 42 4.505 -14.730 -2.127 1.00 0.00 C ATOM 666 O GLY A 42 5.444 -14.040 -1.785 1.00 0.00 O ATOM 0 H GLY A 42 4.227 -14.359 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.541 -16.568 -0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.955 -16.142 -1.601 1.00 0.00 H new ATOM 670 N MET A 43 4.007 -14.649 -3.333 1.00 0.00 N ATOM 671 CA MET A 43 4.591 -13.696 -4.319 1.00 0.00 C ATOM 672 C MET A 43 3.792 -12.392 -4.306 1.00 0.00 C ATOM 673 O MET A 43 2.837 -12.245 -3.568 1.00 0.00 O ATOM 674 CB MET A 43 4.536 -14.312 -5.717 1.00 0.00 C ATOM 675 CG MET A 43 5.946 -14.718 -6.152 1.00 0.00 C ATOM 676 SD MET A 43 7.013 -13.255 -6.175 1.00 0.00 S ATOM 677 CE MET A 43 7.479 -13.345 -7.921 1.00 0.00 C ATOM 0 H MET A 43 3.222 -15.202 -3.676 1.00 0.00 H new ATOM 0 HA MET A 43 5.627 -13.489 -4.052 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.879 -15.182 -5.717 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.117 -13.597 -6.425 1.00 0.00 H new ATOM 0 HG2 MET A 43 6.349 -15.465 -5.468 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.916 -15.175 -7.141 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.150 -12.520 -8.162 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.984 -14.292 -8.115 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.585 -13.278 -8.540 1.00 0.00 H new ATOM 687 N SER A 44 4.174 -11.442 -5.116 1.00 0.00 N ATOM 688 CA SER A 44 3.438 -10.148 -5.148 1.00 0.00 C ATOM 689 C SER A 44 3.369 -9.573 -3.730 1.00 0.00 C ATOM 690 O SER A 44 2.464 -9.865 -2.971 1.00 0.00 O ATOM 691 CB SER A 44 2.025 -10.379 -5.697 1.00 0.00 C ATOM 692 OG SER A 44 1.074 -9.759 -4.841 1.00 0.00 O ATOM 0 H SER A 44 4.965 -11.507 -5.757 1.00 0.00 H new ATOM 0 HA SER A 44 3.957 -9.441 -5.795 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.944 -9.970 -6.704 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.822 -11.448 -5.769 1.00 0.00 H new ATOM 0 HG SER A 44 1.060 -10.223 -3.978 1.00 0.00 H new ATOM 698 N THR A 45 4.329 -8.764 -3.366 1.00 0.00 N ATOM 699 CA THR A 45 4.341 -8.170 -1.998 1.00 0.00 C ATOM 700 C THR A 45 4.273 -6.649 -2.098 1.00 0.00 C ATOM 701 O THR A 45 4.274 -6.087 -3.174 1.00 0.00 O ATOM 702 CB THR A 45 5.639 -8.558 -1.295 1.00 0.00 C ATOM 703 OG1 THR A 45 5.862 -7.692 -0.194 1.00 0.00 O ATOM 704 CG2 THR A 45 6.805 -8.445 -2.274 1.00 0.00 C ATOM 0 H THR A 45 5.110 -8.488 -3.962 1.00 0.00 H new ATOM 0 HA THR A 45 3.483 -8.540 -1.437 1.00 0.00 H new ATOM 0 HB THR A 45 5.562 -9.585 -0.939 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.695 -7.944 0.257 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.731 -8.722 -1.770 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.637 -9.113 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.881 -7.419 -2.633 1.00 0.00 H new ATOM 712 N LEU A 46 4.218 -5.975 -0.982 1.00 0.00 N ATOM 713 CA LEU A 46 4.157 -4.485 -1.024 1.00 0.00 C ATOM 714 C LEU A 46 5.487 -3.917 -1.554 1.00 0.00 C ATOM 715 O LEU A 46 5.612 -2.734 -1.795 1.00 0.00 O ATOM 716 CB LEU A 46 3.886 -3.943 0.385 1.00 0.00 C ATOM 717 CG LEU A 46 2.637 -4.610 0.988 1.00 0.00 C ATOM 718 CD1 LEU A 46 1.994 -3.660 1.998 1.00 0.00 C ATOM 719 CD2 LEU A 46 1.614 -4.928 -0.111 1.00 0.00 C ATOM 0 H LEU A 46 4.213 -6.387 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 46 3.351 -4.179 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.749 -4.128 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.745 -2.863 0.345 1.00 0.00 H new ATOM 0 HG LEU A 46 2.938 -5.537 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.109 -4.130 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.707 -3.436 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.707 -2.736 1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.737 -5.399 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.317 -4.005 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.061 -5.606 -0.839 1.00 0.00 H new ATOM 731 N ASP A 47 6.473 -4.751 -1.758 1.00 0.00 N ATOM 732 CA ASP A 47 7.780 -4.260 -2.294 1.00 0.00 C ATOM 733 C ASP A 47 7.682 -4.157 -3.818 1.00 0.00 C ATOM 734 O ASP A 47 8.533 -3.606 -4.486 1.00 0.00 O ATOM 735 CB ASP A 47 8.878 -5.254 -1.917 1.00 0.00 C ATOM 736 CG ASP A 47 9.649 -4.732 -0.704 1.00 0.00 C ATOM 737 OD1 ASP A 47 10.379 -3.768 -0.862 1.00 0.00 O ATOM 738 OD2 ASP A 47 9.497 -5.304 0.362 1.00 0.00 O ATOM 0 H ASP A 47 6.431 -5.754 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 47 8.016 -3.282 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.440 -6.226 -1.691 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.557 -5.397 -2.758 1.00 0.00 H new ATOM 743 N GLU A 48 6.638 -4.716 -4.342 1.00 0.00 N ATOM 744 CA GLU A 48 6.364 -4.752 -5.765 1.00 0.00 C ATOM 745 C GLU A 48 5.436 -3.598 -6.097 1.00 0.00 C ATOM 746 O GLU A 48 5.471 -3.062 -7.175 1.00 0.00 O ATOM 747 CB GLU A 48 5.719 -6.119 -6.011 1.00 0.00 C ATOM 748 CG GLU A 48 4.303 -5.991 -6.575 1.00 0.00 C ATOM 749 CD GLU A 48 4.367 -5.624 -8.059 1.00 0.00 C ATOM 750 OE1 GLU A 48 5.428 -5.774 -8.641 1.00 0.00 O ATOM 751 OE2 GLU A 48 3.352 -5.201 -8.589 1.00 0.00 O ATOM 0 H GLU A 48 5.922 -5.179 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 48 7.246 -4.640 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.335 -6.691 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.688 -6.679 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.764 -6.930 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.751 -5.228 -6.026 1.00 0.00 H new ATOM 758 N LEU A 49 4.624 -3.203 -5.159 1.00 0.00 N ATOM 759 CA LEU A 49 3.719 -2.058 -5.394 1.00 0.00 C ATOM 760 C LEU A 49 4.547 -0.787 -5.200 1.00 0.00 C ATOM 761 O LEU A 49 4.280 0.235 -5.802 1.00 0.00 O ATOM 762 CB LEU A 49 2.540 -2.096 -4.419 1.00 0.00 C ATOM 763 CG LEU A 49 2.988 -1.648 -3.031 1.00 0.00 C ATOM 764 CD1 LEU A 49 2.928 -0.120 -2.943 1.00 0.00 C ATOM 765 CD2 LEU A 49 2.052 -2.264 -1.990 1.00 0.00 C ATOM 0 H LEU A 49 4.551 -3.630 -4.235 1.00 0.00 H new ATOM 0 HA LEU A 49 3.301 -2.093 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.741 -1.447 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.133 -3.106 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 49 4.011 -1.974 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.248 0.200 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.587 0.314 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.906 0.215 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.361 -1.952 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.031 -1.929 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.095 -3.351 -2.060 1.00 0.00 H new ATOM 777 N PHE A 50 5.594 -0.857 -4.407 1.00 0.00 N ATOM 778 CA PHE A 50 6.464 0.335 -4.242 1.00 0.00 C ATOM 779 C PHE A 50 7.359 0.389 -5.464 1.00 0.00 C ATOM 780 O PHE A 50 7.424 1.376 -6.170 1.00 0.00 O ATOM 781 CB PHE A 50 7.336 0.196 -2.991 1.00 0.00 C ATOM 782 CG PHE A 50 7.672 1.571 -2.449 1.00 0.00 C ATOM 783 CD1 PHE A 50 6.676 2.367 -1.872 1.00 0.00 C ATOM 784 CD2 PHE A 50 8.990 2.040 -2.519 1.00 0.00 C ATOM 785 CE1 PHE A 50 7.000 3.633 -1.362 1.00 0.00 C ATOM 786 CE2 PHE A 50 9.312 3.305 -2.012 1.00 0.00 C ATOM 787 CZ PHE A 50 8.317 4.101 -1.435 1.00 0.00 C ATOM 0 H PHE A 50 5.874 -1.682 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 50 5.861 1.237 -4.136 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.812 -0.386 -2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.251 -0.345 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.659 2.007 -1.819 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.758 1.426 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.233 4.247 -0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.328 3.666 -2.066 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.565 5.077 -1.046 1.00 0.00 H new ATOM 797 N GLU A 51 8.019 -0.693 -5.736 1.00 0.00 N ATOM 798 CA GLU A 51 8.885 -0.749 -6.940 1.00 0.00 C ATOM 799 C GLU A 51 7.970 -0.740 -8.162 1.00 0.00 C ATOM 800 O GLU A 51 8.358 -0.369 -9.252 1.00 0.00 O ATOM 801 CB GLU A 51 9.712 -2.037 -6.917 1.00 0.00 C ATOM 802 CG GLU A 51 8.797 -3.244 -7.147 1.00 0.00 C ATOM 803 CD GLU A 51 9.002 -3.774 -8.566 1.00 0.00 C ATOM 804 OE1 GLU A 51 9.901 -4.576 -8.753 1.00 0.00 O ATOM 805 OE2 GLU A 51 8.256 -3.367 -9.443 1.00 0.00 O ATOM 0 H GLU A 51 7.997 -1.545 -5.176 1.00 0.00 H new ATOM 0 HA GLU A 51 9.569 0.100 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.482 -2.000 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.224 -2.134 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.018 -4.025 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.755 -2.958 -7.001 1.00 0.00 H new ATOM 812 N GLU A 52 6.743 -1.147 -7.969 1.00 0.00 N ATOM 813 CA GLU A 52 5.762 -1.170 -9.091 1.00 0.00 C ATOM 814 C GLU A 52 5.913 0.091 -9.931 1.00 0.00 C ATOM 815 O GLU A 52 5.988 0.027 -11.142 1.00 0.00 O ATOM 816 CB GLU A 52 4.336 -1.215 -8.538 1.00 0.00 C ATOM 817 CG GLU A 52 3.693 -2.569 -8.857 1.00 0.00 C ATOM 818 CD GLU A 52 2.870 -2.456 -10.141 1.00 0.00 C ATOM 819 OE1 GLU A 52 3.159 -1.572 -10.932 1.00 0.00 O ATOM 820 OE2 GLU A 52 1.963 -3.253 -10.312 1.00 0.00 O ATOM 0 H GLU A 52 6.376 -1.467 -7.073 1.00 0.00 H new ATOM 0 HA GLU A 52 5.951 -2.053 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.350 -1.055 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.743 -0.410 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.464 -3.331 -8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.055 -2.884 -8.031 1.00 0.00 H new ATOM 827 N LEU A 53 5.952 1.247 -9.316 1.00 0.00 N ATOM 828 CA LEU A 53 6.086 2.464 -10.088 1.00 0.00 C ATOM 829 C LEU A 53 7.443 3.043 -9.769 1.00 0.00 C ATOM 830 O LEU A 53 8.173 3.470 -10.643 1.00 0.00 O ATOM 831 CB LEU A 53 5.002 3.448 -9.651 1.00 0.00 C ATOM 832 CG LEU A 53 3.729 2.710 -9.208 1.00 0.00 C ATOM 833 CD1 LEU A 53 3.094 3.460 -8.038 1.00 0.00 C ATOM 834 CD2 LEU A 53 2.739 2.660 -10.374 1.00 0.00 C ATOM 0 H LEU A 53 5.895 1.374 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 53 5.986 2.270 -11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.374 4.062 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.767 4.123 -10.474 1.00 0.00 H new ATOM 0 HG LEU A 53 3.982 1.695 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.190 2.940 -7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.799 3.503 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.839 4.473 -8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.835 2.137 -10.062 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.484 3.675 -10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.192 2.132 -11.213 1.00 0.00 H new ATOM 846 N ASP A 54 7.801 3.057 -8.506 1.00 0.00 N ATOM 847 CA ASP A 54 9.107 3.602 -8.128 1.00 0.00 C ATOM 848 C ASP A 54 9.309 4.936 -8.822 1.00 0.00 C ATOM 849 O ASP A 54 10.404 5.451 -8.935 1.00 0.00 O ATOM 850 CB ASP A 54 10.081 2.600 -8.623 1.00 0.00 C ATOM 851 CG ASP A 54 11.503 3.163 -8.615 1.00 0.00 C ATOM 852 OD1 ASP A 54 11.816 3.918 -7.710 1.00 0.00 O ATOM 853 OD2 ASP A 54 12.255 2.831 -9.517 1.00 0.00 O ATOM 0 H ASP A 54 7.232 2.710 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 54 9.211 3.774 -7.057 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.037 1.707 -8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.813 2.296 -9.635 1.00 0.00 H new ATOM 858 N LYS A 55 8.240 5.480 -9.293 1.00 0.00 N ATOM 859 CA LYS A 55 8.296 6.776 -9.999 1.00 0.00 C ATOM 860 C LYS A 55 9.055 7.779 -9.132 1.00 0.00 C ATOM 861 O LYS A 55 9.565 7.435 -8.086 1.00 0.00 O ATOM 862 CB LYS A 55 6.880 7.290 -10.288 1.00 0.00 C ATOM 863 CG LYS A 55 5.824 6.718 -9.328 1.00 0.00 C ATOM 864 CD LYS A 55 6.362 6.691 -7.894 1.00 0.00 C ATOM 865 CE LYS A 55 5.238 7.068 -6.932 1.00 0.00 C ATOM 866 NZ LYS A 55 5.111 6.019 -5.883 1.00 0.00 N ATOM 0 H LYS A 55 7.307 5.074 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 55 8.812 6.649 -10.951 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.874 8.378 -10.219 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.609 7.034 -11.312 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.918 7.323 -9.372 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.549 5.710 -9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.745 5.699 -7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.194 7.387 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.447 8.034 -6.472 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.299 7.170 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.914 6.467 -4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.332 5.375 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.999 5.480 -5.821 1.00 0.00 H new ATOM 880 N ASN A 56 9.147 9.017 -9.540 1.00 0.00 N ATOM 881 CA ASN A 56 9.900 9.983 -8.685 1.00 0.00 C ATOM 882 C ASN A 56 9.033 10.469 -7.538 1.00 0.00 C ATOM 883 O ASN A 56 9.454 11.252 -6.709 1.00 0.00 O ATOM 884 CB ASN A 56 10.507 11.135 -9.485 1.00 0.00 C ATOM 885 CG ASN A 56 11.986 10.807 -9.670 1.00 0.00 C ATOM 886 OD1 ASN A 56 12.810 11.686 -9.810 1.00 0.00 O ATOM 887 ND2 ASN A 56 12.352 9.551 -9.672 1.00 0.00 N ATOM 0 H ASN A 56 8.748 9.394 -10.400 1.00 0.00 H new ATOM 0 HA ASN A 56 10.749 9.448 -8.259 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.010 11.241 -10.449 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.383 12.081 -8.957 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.335 9.306 -9.792 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.654 8.816 -9.554 1.00 0.00 H new ATOM 894 N GLY A 57 7.868 9.907 -7.412 1.00 0.00 N ATOM 895 CA GLY A 57 7.020 10.213 -6.239 1.00 0.00 C ATOM 896 C GLY A 57 7.231 9.005 -5.333 1.00 0.00 C ATOM 897 O GLY A 57 6.340 8.529 -4.657 1.00 0.00 O ATOM 0 H GLY A 57 7.467 9.245 -8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.325 11.140 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.973 10.329 -6.518 1.00 0.00 H new ATOM 901 N ASP A 58 8.439 8.487 -5.380 1.00 0.00 N ATOM 902 CA ASP A 58 8.802 7.273 -4.613 1.00 0.00 C ATOM 903 C ASP A 58 9.050 7.634 -3.152 1.00 0.00 C ATOM 904 O ASP A 58 9.366 6.781 -2.348 1.00 0.00 O ATOM 905 CB ASP A 58 10.074 6.631 -5.229 1.00 0.00 C ATOM 906 CG ASP A 58 10.369 5.313 -4.512 1.00 0.00 C ATOM 907 OD1 ASP A 58 9.467 4.495 -4.424 1.00 0.00 O ATOM 908 OD2 ASP A 58 11.490 5.142 -4.062 1.00 0.00 O ATOM 0 H ASP A 58 9.201 8.874 -5.937 1.00 0.00 H new ATOM 0 HA ASP A 58 7.981 6.557 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.927 6.454 -6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.922 7.309 -5.132 1.00 0.00 H new ATOM 913 N GLY A 59 8.873 8.875 -2.775 1.00 0.00 N ATOM 914 CA GLY A 59 9.065 9.213 -1.346 1.00 0.00 C ATOM 915 C GLY A 59 7.946 8.515 -0.589 1.00 0.00 C ATOM 916 O GLY A 59 8.063 8.187 0.576 1.00 0.00 O ATOM 0 H GLY A 59 8.610 9.649 -3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.041 8.877 -0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.025 10.291 -1.193 1.00 0.00 H new ATOM 920 N GLU A 60 6.856 8.275 -1.271 1.00 0.00 N ATOM 921 CA GLU A 60 5.705 7.577 -0.633 1.00 0.00 C ATOM 922 C GLU A 60 4.755 7.045 -1.713 1.00 0.00 C ATOM 923 O GLU A 60 5.016 7.150 -2.895 1.00 0.00 O ATOM 924 CB GLU A 60 4.948 8.551 0.271 1.00 0.00 C ATOM 925 CG GLU A 60 5.537 8.512 1.683 1.00 0.00 C ATOM 926 CD GLU A 60 6.199 9.854 1.997 1.00 0.00 C ATOM 927 OE1 GLU A 60 5.496 10.851 2.005 1.00 0.00 O ATOM 928 OE2 GLU A 60 7.398 9.863 2.224 1.00 0.00 O ATOM 0 H GLU A 60 6.715 8.535 -2.247 1.00 0.00 H new ATOM 0 HA GLU A 60 6.080 6.744 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.013 9.562 -0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.891 8.287 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.752 8.303 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.268 7.707 1.762 1.00 0.00 H new ATOM 935 N VAL A 61 3.642 6.495 -1.307 1.00 0.00 N ATOM 936 CA VAL A 61 2.644 5.974 -2.285 1.00 0.00 C ATOM 937 C VAL A 61 1.253 6.281 -1.747 1.00 0.00 C ATOM 938 O VAL A 61 0.752 5.633 -0.850 1.00 0.00 O ATOM 939 CB VAL A 61 2.807 4.473 -2.460 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.772 3.951 -3.459 1.00 0.00 C ATOM 941 CG2 VAL A 61 4.208 4.187 -2.994 1.00 0.00 C ATOM 0 H VAL A 61 3.379 6.383 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 61 2.793 6.448 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 61 2.662 3.977 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.894 2.875 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.769 4.163 -3.088 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.915 4.443 -4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.336 3.112 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.340 4.686 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.950 4.558 -2.287 1.00 0.00 H new ATOM 951 N SER A 62 0.643 7.283 -2.285 1.00 0.00 N ATOM 952 CA SER A 62 -0.715 7.695 -1.823 1.00 0.00 C ATOM 953 C SER A 62 -1.697 6.560 -2.033 1.00 0.00 C ATOM 954 O SER A 62 -1.321 5.411 -2.078 1.00 0.00 O ATOM 955 CB SER A 62 -1.155 8.928 -2.617 1.00 0.00 C ATOM 956 OG SER A 62 -2.023 8.529 -3.671 1.00 0.00 O ATOM 0 H SER A 62 1.027 7.851 -3.040 1.00 0.00 H new ATOM 0 HA SER A 62 -0.687 7.936 -0.760 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.664 9.634 -1.960 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.284 9.442 -3.024 1.00 0.00 H new ATOM 0 HG SER A 62 -2.306 9.318 -4.178 1.00 0.00 H new ATOM 962 N PHE A 63 -2.949 6.874 -2.170 1.00 0.00 N ATOM 963 CA PHE A 63 -3.961 5.817 -2.385 1.00 0.00 C ATOM 964 C PHE A 63 -3.855 5.334 -3.819 1.00 0.00 C ATOM 965 O PHE A 63 -3.368 4.275 -4.061 1.00 0.00 O ATOM 966 CB PHE A 63 -5.354 6.382 -2.163 1.00 0.00 C ATOM 967 CG PHE A 63 -6.273 5.222 -2.295 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.105 4.138 -1.440 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.225 5.189 -3.305 1.00 0.00 C ATOM 970 CE1 PHE A 63 -6.899 3.010 -1.579 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.015 4.057 -3.468 1.00 0.00 C ATOM 972 CZ PHE A 63 -7.864 2.960 -2.606 1.00 0.00 C ATOM 0 H PHE A 63 -3.316 7.825 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.788 4.998 -1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.440 6.842 -1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.587 7.154 -2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.354 4.175 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.351 6.038 -3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.779 2.175 -0.905 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.748 4.022 -4.261 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.483 2.083 -2.728 1.00 0.00 H new ATOM 982 N GLU A 64 -4.292 6.108 -4.762 1.00 0.00 N ATOM 983 CA GLU A 64 -4.234 5.665 -6.201 1.00 0.00 C ATOM 984 C GLU A 64 -2.947 4.881 -6.496 1.00 0.00 C ATOM 985 O GLU A 64 -3.002 3.776 -6.996 1.00 0.00 O ATOM 986 CB GLU A 64 -4.315 6.894 -7.110 1.00 0.00 C ATOM 987 CG GLU A 64 -5.785 7.249 -7.343 1.00 0.00 C ATOM 988 CD GLU A 64 -5.882 8.571 -8.105 1.00 0.00 C ATOM 989 OE1 GLU A 64 -4.858 9.210 -8.275 1.00 0.00 O ATOM 990 OE2 GLU A 64 -6.980 8.922 -8.503 1.00 0.00 O ATOM 0 H GLU A 64 -4.691 7.035 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.078 5.002 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.793 7.735 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.822 6.692 -8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.275 6.456 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.305 7.329 -6.389 1.00 0.00 H new ATOM 997 N GLU A 65 -1.796 5.414 -6.199 1.00 0.00 N ATOM 998 CA GLU A 65 -0.550 4.640 -6.484 1.00 0.00 C ATOM 999 C GLU A 65 -0.621 3.297 -5.744 1.00 0.00 C ATOM 1000 O GLU A 65 -0.276 2.257 -6.268 1.00 0.00 O ATOM 1001 CB GLU A 65 0.667 5.433 -6.001 1.00 0.00 C ATOM 1002 CG GLU A 65 0.640 6.837 -6.612 1.00 0.00 C ATOM 1003 CD GLU A 65 0.842 6.743 -8.126 1.00 0.00 C ATOM 1004 OE1 GLU A 65 1.278 5.698 -8.582 1.00 0.00 O ATOM 1005 OE2 GLU A 65 0.558 7.716 -8.804 1.00 0.00 O ATOM 0 H GLU A 65 -1.661 6.334 -5.779 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.458 4.465 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.663 5.499 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.585 4.919 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.311 7.322 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.422 7.453 -6.168 1.00 0.00 H new ATOM 1012 N PHE A 66 -1.067 3.334 -4.522 1.00 0.00 N ATOM 1013 CA PHE A 66 -1.186 2.111 -3.683 1.00 0.00 C ATOM 1014 C PHE A 66 -2.320 1.195 -4.136 1.00 0.00 C ATOM 1015 O PHE A 66 -2.210 0.001 -4.118 1.00 0.00 O ATOM 1016 CB PHE A 66 -1.535 2.584 -2.252 1.00 0.00 C ATOM 1017 CG PHE A 66 -2.517 1.599 -1.681 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -3.875 1.761 -1.973 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -2.071 0.465 -1.024 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -4.783 0.802 -1.610 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -2.984 -0.518 -0.675 1.00 0.00 C ATOM 1022 CZ PHE A 66 -4.339 -0.345 -0.971 1.00 0.00 C ATOM 0 H PHE A 66 -1.364 4.191 -4.055 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.251 1.555 -3.751 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.638 2.634 -1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.964 3.586 -2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.210 2.649 -2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.024 0.348 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.834 0.938 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.649 -1.415 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.048 -1.113 -0.699 1.00 0.00 H new ATOM 1032 N GLN A 67 -3.449 1.764 -4.330 1.00 0.00 N ATOM 1033 CA GLN A 67 -4.673 0.982 -4.552 1.00 0.00 C ATOM 1034 C GLN A 67 -4.669 0.173 -5.837 1.00 0.00 C ATOM 1035 O GLN A 67 -5.627 -0.492 -6.158 1.00 0.00 O ATOM 1036 CB GLN A 67 -5.856 1.937 -4.379 1.00 0.00 C ATOM 1037 CG GLN A 67 -5.723 3.139 -5.312 1.00 0.00 C ATOM 1038 CD GLN A 67 -5.786 2.634 -6.711 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -5.173 3.173 -7.612 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -6.512 1.608 -6.933 1.00 0.00 N ATOM 0 H GLN A 67 -3.584 2.775 -4.345 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.753 0.187 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.788 1.411 -4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.906 2.277 -3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.523 3.857 -5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.781 3.659 -5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.020 1.167 -6.166 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.584 1.229 -7.877 1.00 0.00 H new ATOM 1049 N VAL A 68 -3.577 0.115 -6.523 1.00 0.00 N ATOM 1050 CA VAL A 68 -3.535 -0.776 -7.695 1.00 0.00 C ATOM 1051 C VAL A 68 -3.404 -2.215 -7.146 1.00 0.00 C ATOM 1052 O VAL A 68 -3.341 -3.174 -7.890 1.00 0.00 O ATOM 1053 CB VAL A 68 -2.350 -0.394 -8.604 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -1.649 -1.645 -9.149 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -2.869 0.441 -9.776 1.00 0.00 C ATOM 0 H VAL A 68 -2.723 0.637 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.433 -0.691 -8.306 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.631 0.177 -8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.817 -1.347 -9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.273 -2.243 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.358 -2.236 -9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.037 0.715 -10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.595 -0.141 -10.344 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.346 1.344 -9.396 1.00 0.00 H new ATOM 1065 N LEU A 69 -3.397 -2.359 -5.831 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.311 -3.707 -5.202 1.00 0.00 C ATOM 1067 C LEU A 69 -4.721 -4.196 -5.022 1.00 0.00 C ATOM 1068 O LEU A 69 -5.053 -5.327 -5.295 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.681 -3.634 -3.812 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.607 -2.591 -3.847 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.298 -2.102 -2.433 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.338 -3.156 -4.484 1.00 0.00 C ATOM 0 H LEU A 69 -3.448 -1.584 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.705 -4.358 -5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.434 -3.382 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.264 -4.601 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.962 -1.752 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.516 -1.344 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.197 -1.672 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.960 -2.940 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.434 -2.386 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.013 -4.008 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.554 -3.477 -5.503 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.558 -3.318 -4.554 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.982 -3.711 -4.345 1.00 0.00 C ATOM 1086 C VAL A 70 -7.530 -4.149 -5.695 1.00 0.00 C ATOM 1087 O VAL A 70 -8.383 -5.010 -5.790 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.810 -2.554 -3.768 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -7.678 -2.547 -2.244 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -7.321 -1.218 -4.320 1.00 0.00 C ATOM 0 H VAL A 70 -5.326 -2.356 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.043 -4.522 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.853 -2.693 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.265 -1.726 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.044 -3.492 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.631 -2.418 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.920 -0.410 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.275 -1.073 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.419 -1.215 -5.406 1.00 0.00 H new ATOM 1100 N LYS A 71 -6.999 -3.595 -6.750 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.431 -4.011 -8.104 1.00 0.00 C ATOM 1102 C LYS A 71 -6.682 -5.301 -8.436 1.00 0.00 C ATOM 1103 O LYS A 71 -7.194 -6.186 -9.094 1.00 0.00 O ATOM 1104 CB LYS A 71 -7.078 -2.921 -9.119 1.00 0.00 C ATOM 1105 CG LYS A 71 -7.298 -1.544 -8.485 1.00 0.00 C ATOM 1106 CD LYS A 71 -7.950 -0.607 -9.506 1.00 0.00 C ATOM 1107 CE LYS A 71 -6.863 0.112 -10.304 1.00 0.00 C ATOM 1108 NZ LYS A 71 -7.118 -0.066 -11.762 1.00 0.00 N ATOM 0 H LYS A 71 -6.282 -2.870 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.509 -4.169 -8.140 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.040 -3.026 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.696 -3.026 -10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.932 -1.636 -7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.347 -1.130 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.594 -1.175 -10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.583 0.120 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.853 1.173 -10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.882 -0.286 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.379 0.423 -12.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.106 -1.079 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.047 0.334 -12.003 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.468 -5.418 -7.956 1.00 0.00 N ATOM 1123 CA LYS A 72 -4.674 -6.652 -8.211 1.00 0.00 C ATOM 1124 C LYS A 72 -4.956 -7.666 -7.095 1.00 0.00 C ATOM 1125 O LYS A 72 -4.327 -8.702 -7.009 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.184 -6.300 -8.214 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.456 -7.144 -9.259 1.00 0.00 C ATOM 1128 CD LYS A 72 -1.778 -8.333 -8.576 1.00 0.00 C ATOM 1129 CE LYS A 72 -0.851 -9.038 -9.571 1.00 0.00 C ATOM 1130 NZ LYS A 72 0.430 -8.282 -9.684 1.00 0.00 N ATOM 0 H LYS A 72 -4.995 -4.708 -7.397 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.950 -7.079 -9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.052 -5.240 -8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.757 -6.478 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.161 -7.497 -10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.713 -6.538 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.208 -7.992 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.530 -9.031 -8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.655 -10.058 -9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.332 -9.106 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.763 -8.309 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.276 -7.294 -9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.144 -8.715 -9.064 1.00 0.00 H new ATOM 1144 N ILE A 73 -5.898 -7.370 -6.236 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.228 -8.292 -5.127 1.00 0.00 C ATOM 1146 C ILE A 73 -7.580 -8.954 -5.412 1.00 0.00 C ATOM 1147 O ILE A 73 -8.169 -9.602 -4.569 1.00 0.00 O ATOM 1148 CB ILE A 73 -6.306 -7.480 -3.829 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.894 -7.115 -3.354 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -7.008 -8.297 -2.746 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.951 -5.847 -2.491 1.00 0.00 C ATOM 0 H ILE A 73 -6.455 -6.516 -6.263 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.466 -9.065 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.871 -6.567 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.469 -7.938 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.241 -6.954 -4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.060 -7.714 -1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.017 -8.546 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.449 -9.215 -2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.946 -5.590 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.358 -5.025 -3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.589 -6.025 -1.625 1.00 0.00 H new ATOM 1163 N SER A 74 -8.071 -8.784 -6.600 1.00 0.00 N ATOM 1164 CA SER A 74 -9.387 -9.379 -6.967 1.00 0.00 C ATOM 1165 C SER A 74 -9.212 -10.857 -7.337 1.00 0.00 C ATOM 1166 O SER A 74 -8.926 -11.188 -8.470 1.00 0.00 O ATOM 1167 CB SER A 74 -9.959 -8.625 -8.167 1.00 0.00 C ATOM 1168 OG SER A 74 -9.933 -7.229 -7.899 1.00 0.00 O ATOM 0 H SER A 74 -7.616 -8.254 -7.343 1.00 0.00 H new ATOM 0 HA SER A 74 -10.065 -9.302 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.377 -8.846 -9.062 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.981 -8.951 -8.363 1.00 0.00 H new ATOM 0 HG SER A 74 -9.108 -6.842 -8.260 1.00 0.00 H new ATOM 1174 N GLN A 75 -9.389 -11.752 -6.399 1.00 0.00 N ATOM 1175 CA GLN A 75 -9.238 -13.196 -6.715 1.00 0.00 C ATOM 1176 C GLN A 75 -7.960 -13.414 -7.526 1.00 0.00 C ATOM 1177 O GLN A 75 -7.111 -12.550 -7.611 1.00 0.00 O ATOM 1178 CB GLN A 75 -10.444 -13.663 -7.532 1.00 0.00 C ATOM 1179 CG GLN A 75 -11.722 -13.523 -6.701 1.00 0.00 C ATOM 1180 CD GLN A 75 -11.529 -14.212 -5.350 1.00 0.00 C ATOM 1181 OE1 GLN A 75 -11.606 -15.421 -5.257 1.00 0.00 O ATOM 1182 NE2 GLN A 75 -11.276 -13.489 -4.294 1.00 0.00 N ATOM 1183 OXT GLN A 75 -7.817 -14.566 -8.123 1.00 0.00 O ATOM 0 H GLN A 75 -9.631 -11.542 -5.431 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.179 -13.766 -5.788 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.527 -13.073 -8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.309 -14.701 -7.835 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.959 -12.469 -6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.564 -13.968 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.212 -12.474 -4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.142 -13.939 -3.388 1.00 0.00 H new TER 1192 GLN A 75