USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 602 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 Single : A 1 LYS N :NH3+ -166:sc= 0 (180deg=-0.163) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0455 USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= -0.171 (180deg=-0.173) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc=-0.00637 K(o=-0.0064,f=-1.3) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.92! C(o=-3.8!,f=-1.9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.00772 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 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.13 K(o=-1.1,f=-4!) USER MOD Single : A 62 SER OG : rot 114:sc= 0.787 USER MOD Single : A 67 GLN :FLIP amide:sc= -0.871 F(o=-2.1!,f=-0.87) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.706! C(o=-0.71!,f=-0.62!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 2.397 -1.442 -1.641 1.00 0.00 C ATOM 4 O LYS A 1 2.137 -1.853 -2.771 1.00 0.00 O ATOM 5 CB LYS A 1 3.307 0.897 -1.129 1.00 0.00 C ATOM 6 CG LYS A 1 2.912 2.375 -1.126 1.00 0.00 C ATOM 7 CD LYS A 1 4.147 3.273 -1.030 1.00 0.00 C ATOM 8 CE LYS A 1 3.826 4.569 -0.282 1.00 0.00 C ATOM 9 NZ LYS A 1 5.063 5.343 -0.033 1.00 0.00 N ATOM 0 H1 LYS A 1 0.901 0.938 0.151 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.572 -0.716 -0.047 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.965 -0.222 0.789 1.00 0.00 H new ATOM 0 HA LYS A 1 1.473 0.425 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.849 0.660 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.984 0.699 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 1 2.358 2.609 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 1 2.246 2.575 -0.287 1.00 0.00 H new ATOM 0 HD2 LYS A 1 4.948 2.742 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 1 4.510 3.507 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 1 3.126 5.168 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.337 4.338 0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.828 6.219 0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.718 4.775 0.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.513 5.579 -0.940 1.00 0.00 H new ATOM 23 N SER A 2 2.960 -2.171 -0.689 1.00 0.00 N ATOM 24 CA SER A 2 3.321 -3.559 -0.923 1.00 0.00 C ATOM 25 C SER A 2 2.077 -4.369 -1.292 1.00 0.00 C ATOM 26 O SER A 2 0.961 -3.854 -1.246 1.00 0.00 O ATOM 27 CB SER A 2 4.005 -4.165 0.304 1.00 0.00 C ATOM 28 OG SER A 2 5.370 -4.488 0.049 1.00 0.00 O ATOM 0 H SER A 2 3.175 -1.826 0.247 1.00 0.00 H new ATOM 0 HA SER A 2 4.027 -3.593 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.948 -3.462 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.471 -5.064 0.610 1.00 0.00 H new ATOM 0 HG SER A 2 5.772 -4.871 0.857 1.00 0.00 H new ATOM 34 N PRO A 3 2.317 -5.656 -1.658 1.00 0.00 N ATOM 35 CA PRO A 3 1.229 -6.543 -2.034 1.00 0.00 C ATOM 36 C PRO A 3 0.446 -7.003 -0.803 1.00 0.00 C ATOM 37 O PRO A 3 -0.771 -7.173 -0.864 1.00 0.00 O ATOM 38 CB PRO A 3 1.894 -7.690 -2.777 1.00 0.00 C ATOM 39 CG PRO A 3 3.363 -7.642 -2.388 1.00 0.00 C ATOM 40 CD PRO A 3 3.626 -6.300 -1.724 1.00 0.00 C ATOM 0 HA PRO A 3 0.488 -6.054 -2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.448 -8.645 -2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.771 -7.581 -3.855 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.604 -8.458 -1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.995 -7.763 -3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.055 -6.427 -0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.332 -5.704 -2.302 1.00 0.00 H new ATOM 48 N GLU A 4 1.176 -7.190 0.287 1.00 0.00 N ATOM 49 CA GLU A 4 0.565 -7.627 1.531 1.00 0.00 C ATOM 50 C GLU A 4 -0.587 -6.695 1.913 1.00 0.00 C ATOM 51 O GLU A 4 -1.677 -7.154 2.250 1.00 0.00 O ATOM 52 CB GLU A 4 1.602 -7.706 2.653 1.00 0.00 C ATOM 53 CG GLU A 4 1.542 -9.061 3.361 1.00 0.00 C ATOM 54 CD GLU A 4 1.166 -8.894 4.835 1.00 0.00 C ATOM 55 OE1 GLU A 4 2.019 -8.368 5.582 1.00 0.00 O ATOM 56 OE2 GLU A 4 0.034 -9.295 5.181 1.00 0.00 O ATOM 0 H GLU A 4 2.185 -7.047 0.334 1.00 0.00 H new ATOM 0 HA GLU A 4 0.162 -8.629 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.600 -7.550 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 4 1.425 -6.907 3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.812 -9.702 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.508 -9.559 3.283 1.00 0.00 H new ATOM 63 N GLU A 5 -0.305 -5.402 1.848 1.00 0.00 N ATOM 64 CA GLU A 5 -1.304 -4.401 2.183 1.00 0.00 C ATOM 65 C GLU A 5 -2.430 -4.407 1.147 1.00 0.00 C ATOM 66 O GLU A 5 -3.569 -4.067 1.462 1.00 0.00 O ATOM 67 CB GLU A 5 -0.671 -3.012 2.297 1.00 0.00 C ATOM 68 CG GLU A 5 -0.405 -2.649 3.759 1.00 0.00 C ATOM 69 CD GLU A 5 -0.866 -1.222 4.062 1.00 0.00 C ATOM 70 OE1 GLU A 5 -1.894 -0.820 3.475 1.00 0.00 O ATOM 71 OE2 GLU A 5 -0.180 -0.564 4.874 1.00 0.00 O ATOM 0 H GLU A 5 0.600 -5.025 1.568 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.730 -4.651 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.264 -2.987 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.331 -2.270 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -0.926 -3.350 4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.659 -2.744 3.973 1.00 0.00 H new ATOM 78 N LEU A 6 -2.072 -4.798 -0.067 1.00 0.00 N ATOM 79 CA LEU A 6 -3.038 -4.853 -1.151 1.00 0.00 C ATOM 80 C LEU A 6 -4.074 -5.937 -0.850 1.00 0.00 C ATOM 81 O LEU A 6 -5.269 -5.736 -1.063 1.00 0.00 O ATOM 82 CB LEU A 6 -2.327 -5.037 -2.493 1.00 0.00 C ATOM 83 CG LEU A 6 -1.808 -3.761 -3.158 1.00 0.00 C ATOM 84 CD1 LEU A 6 -0.775 -4.086 -4.239 1.00 0.00 C ATOM 85 CD2 LEU A 6 -2.963 -2.919 -3.705 1.00 0.00 C ATOM 0 H LEU A 6 -1.126 -5.080 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.577 -3.909 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.486 -5.714 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.015 -5.528 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.303 -3.163 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.423 -3.161 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.067 -4.613 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.233 -4.716 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.567 -2.018 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.517 -3.498 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.629 -2.641 -2.888 1.00 0.00 H new ATOM 97 N LYS A 7 -3.579 -7.064 -0.359 1.00 0.00 N ATOM 98 CA LYS A 7 -4.447 -8.181 -0.026 1.00 0.00 C ATOM 99 C LYS A 7 -5.470 -7.732 1.020 1.00 0.00 C ATOM 100 O LYS A 7 -6.675 -7.820 0.792 1.00 0.00 O ATOM 101 CB LYS A 7 -3.620 -9.394 0.403 1.00 0.00 C ATOM 102 CG LYS A 7 -4.335 -10.699 0.050 1.00 0.00 C ATOM 103 CD LYS A 7 -4.510 -10.836 -1.464 1.00 0.00 C ATOM 104 CE LYS A 7 -5.985 -11.010 -1.832 1.00 0.00 C ATOM 105 NZ LYS A 7 -6.256 -12.405 -2.245 1.00 0.00 N ATOM 0 H LYS A 7 -2.588 -7.228 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.008 -8.502 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.646 -9.365 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.439 -9.354 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.764 -11.545 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.310 -10.727 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.109 -9.953 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.938 -11.691 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.612 -10.749 -0.979 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.247 -10.328 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.258 -12.501 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.659 -12.647 -3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.042 -13.048 -1.457 1.00 0.00 H new ATOM 119 N GLY A 8 -4.951 -7.262 2.144 1.00 0.00 N ATOM 120 CA GLY A 8 -5.803 -6.800 3.226 1.00 0.00 C ATOM 121 C GLY A 8 -6.839 -5.795 2.717 1.00 0.00 C ATOM 122 O GLY A 8 -8.041 -6.013 2.857 1.00 0.00 O ATOM 0 H GLY A 8 -3.950 -7.191 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.310 -7.650 3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.193 -6.338 4.002 1.00 0.00 H new ATOM 126 N ILE A 9 -6.334 -4.716 2.137 1.00 0.00 N ATOM 127 CA ILE A 9 -7.201 -3.678 1.606 1.00 0.00 C ATOM 128 C ILE A 9 -8.207 -4.304 0.639 1.00 0.00 C ATOM 129 O ILE A 9 -9.408 -4.064 0.746 1.00 0.00 O ATOM 130 CB ILE A 9 -6.370 -2.552 0.987 1.00 0.00 C ATOM 131 CG1 ILE A 9 -5.952 -1.531 2.047 1.00 0.00 C ATOM 132 CG2 ILE A 9 -7.116 -1.896 -0.177 1.00 0.00 C ATOM 133 CD1 ILE A 9 -5.379 -0.270 1.399 1.00 0.00 C ATOM 0 H ILE A 9 -5.336 -4.538 2.023 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.776 -3.215 2.408 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.457 -2.986 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.812 -1.269 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.208 -1.973 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.503 -1.099 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.320 -2.642 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.057 -1.479 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.090 0.439 2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.505 -0.532 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.133 0.184 0.756 1.00 0.00 H new ATOM 145 N PHE A 10 -7.678 -5.093 -0.285 1.00 0.00 N ATOM 146 CA PHE A 10 -8.515 -5.756 -1.271 1.00 0.00 C ATOM 147 C PHE A 10 -9.668 -6.503 -0.598 1.00 0.00 C ATOM 148 O PHE A 10 -10.834 -6.268 -0.915 1.00 0.00 O ATOM 149 CB PHE A 10 -7.629 -6.764 -2.005 1.00 0.00 C ATOM 150 CG PHE A 10 -8.402 -7.907 -2.665 1.00 0.00 C ATOM 151 CD1 PHE A 10 -8.707 -9.023 -1.951 1.00 0.00 C ATOM 152 CD2 PHE A 10 -8.785 -7.807 -3.967 1.00 0.00 C ATOM 153 CE1 PHE A 10 -9.424 -10.085 -2.564 1.00 0.00 C ATOM 154 CE2 PHE A 10 -9.503 -8.868 -4.579 1.00 0.00 C ATOM 155 CZ PHE A 10 -9.807 -9.984 -3.865 1.00 0.00 C ATOM 0 H PHE A 10 -6.681 -5.288 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.943 -5.020 -1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.055 -6.239 -2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.912 -7.184 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.404 -9.102 -0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.543 -6.921 -4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.665 -10.972 -1.997 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.808 -8.788 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 10 -10.353 -10.791 -4.331 1.00 0.00 H new ATOM 165 N GLU A 11 -9.303 -7.389 0.317 1.00 0.00 N ATOM 166 CA GLU A 11 -10.293 -8.172 1.037 1.00 0.00 C ATOM 167 C GLU A 11 -11.206 -7.254 1.853 1.00 0.00 C ATOM 168 O GLU A 11 -12.420 -7.447 1.881 1.00 0.00 O ATOM 169 CB GLU A 11 -9.620 -9.214 1.934 1.00 0.00 C ATOM 170 CG GLU A 11 -9.911 -10.632 1.439 1.00 0.00 C ATOM 171 CD GLU A 11 -10.084 -11.598 2.614 1.00 0.00 C ATOM 172 OE1 GLU A 11 -10.987 -11.334 3.437 1.00 0.00 O ATOM 173 OE2 GLU A 11 -9.310 -12.578 2.662 1.00 0.00 O ATOM 0 H GLU A 11 -8.336 -7.582 0.576 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.904 -8.706 0.310 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.543 -9.044 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.976 -9.102 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.814 -10.630 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.096 -10.973 0.800 1.00 0.00 H new ATOM 180 N LYS A 12 -10.586 -6.276 2.496 1.00 0.00 N ATOM 181 CA LYS A 12 -11.327 -5.328 3.310 1.00 0.00 C ATOM 182 C LYS A 12 -12.338 -4.588 2.430 1.00 0.00 C ATOM 183 O LYS A 12 -13.284 -3.988 2.937 1.00 0.00 O ATOM 184 CB LYS A 12 -10.369 -4.399 4.058 1.00 0.00 C ATOM 185 CG LYS A 12 -11.112 -3.583 5.118 1.00 0.00 C ATOM 186 CD LYS A 12 -10.406 -2.251 5.379 1.00 0.00 C ATOM 187 CE LYS A 12 -10.065 -2.092 6.862 1.00 0.00 C ATOM 188 NZ LYS A 12 -11.088 -1.267 7.543 1.00 0.00 N ATOM 0 H LYS A 12 -9.578 -6.119 2.470 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.894 -5.850 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.583 -4.987 4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.883 -3.727 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.135 -3.398 4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.173 -4.154 6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.494 -2.196 4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.045 -1.428 5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.006 -3.072 7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.085 -1.627 6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.842 -1.169 8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.125 -0.326 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.017 -1.726 7.457 1.00 0.00 H new ATOM 202 N TYR A 13 -12.102 -4.656 1.128 1.00 0.00 N ATOM 203 CA TYR A 13 -12.980 -4.001 0.174 1.00 0.00 C ATOM 204 C TYR A 13 -14.024 -4.978 -0.372 1.00 0.00 C ATOM 205 O TYR A 13 -15.204 -4.643 -0.464 1.00 0.00 O ATOM 206 CB TYR A 13 -12.083 -3.538 -0.976 1.00 0.00 C ATOM 207 CG TYR A 13 -11.818 -2.031 -0.990 1.00 0.00 C ATOM 208 CD1 TYR A 13 -10.926 -1.479 -0.094 1.00 0.00 C ATOM 209 CD2 TYR A 13 -12.471 -1.225 -1.900 1.00 0.00 C ATOM 210 CE1 TYR A 13 -10.677 -0.060 -0.108 1.00 0.00 C ATOM 211 CE2 TYR A 13 -12.222 0.193 -1.914 1.00 0.00 C ATOM 212 CZ TYR A 13 -11.337 0.706 -1.017 1.00 0.00 C ATOM 213 OH TYR A 13 -11.102 2.045 -1.030 1.00 0.00 O ATOM 0 H TYR A 13 -11.316 -5.155 0.712 1.00 0.00 H new ATOM 0 HA TYR A 13 -13.513 -3.176 0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -11.130 -4.064 -0.914 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -12.544 -3.824 -1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.415 -2.110 0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.169 -1.658 -2.602 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -9.982 0.385 0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.726 0.835 -2.621 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.642 2.465 -1.732 1.00 0.00 H new ATOM 223 N ALA A 14 -13.551 -6.166 -0.719 1.00 0.00 N ATOM 224 CA ALA A 14 -14.429 -7.194 -1.253 1.00 0.00 C ATOM 225 C ALA A 14 -15.426 -7.618 -0.172 1.00 0.00 C ATOM 226 O ALA A 14 -16.398 -8.315 -0.459 1.00 0.00 O ATOM 227 CB ALA A 14 -13.590 -8.366 -1.765 1.00 0.00 C ATOM 0 H ALA A 14 -12.572 -6.440 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.002 -6.810 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -14.248 -9.137 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.919 -8.018 -2.550 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.004 -8.780 -0.944 1.00 0.00 H new ATOM 233 N ALA A 15 -15.150 -7.181 1.047 1.00 0.00 N ATOM 234 CA ALA A 15 -16.010 -7.507 2.172 1.00 0.00 C ATOM 235 C ALA A 15 -17.178 -6.519 2.219 1.00 0.00 C ATOM 236 O ALA A 15 -18.251 -6.844 2.725 1.00 0.00 O ATOM 237 CB ALA A 15 -15.189 -7.500 3.462 1.00 0.00 C ATOM 0 H ALA A 15 -14.342 -6.603 1.281 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.428 -8.507 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.835 -7.745 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.391 -8.239 3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.755 -6.511 3.612 1.00 0.00 H new ATOM 243 N LYS A 16 -16.929 -5.333 1.683 1.00 0.00 N ATOM 244 CA LYS A 16 -17.946 -4.295 1.658 1.00 0.00 C ATOM 245 C LYS A 16 -19.214 -4.846 1.001 1.00 0.00 C ATOM 246 O LYS A 16 -20.247 -4.981 1.654 1.00 0.00 O ATOM 247 CB LYS A 16 -17.405 -3.031 0.987 1.00 0.00 C ATOM 248 CG LYS A 16 -17.210 -1.909 2.009 1.00 0.00 C ATOM 249 CD LYS A 16 -15.926 -2.118 2.815 1.00 0.00 C ATOM 250 CE LYS A 16 -15.904 -1.221 4.054 1.00 0.00 C ATOM 251 NZ LYS A 16 -14.615 -0.501 4.149 1.00 0.00 N ATOM 0 H LYS A 16 -16.038 -5.068 1.263 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.214 -3.999 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.456 -3.252 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.095 -2.704 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -17.169 -0.948 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.065 -1.874 2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -15.848 -3.163 3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -15.060 -1.901 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.725 -0.505 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -16.058 -1.823 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.617 0.103 4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.837 -1.188 4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.484 0.089 3.303 1.00 0.00 H new ATOM 265 N GLU A 17 -19.092 -5.148 -0.284 1.00 0.00 N ATOM 266 CA GLU A 17 -20.215 -5.681 -1.036 1.00 0.00 C ATOM 267 C GLU A 17 -19.899 -7.093 -1.534 1.00 0.00 C ATOM 268 O GLU A 17 -18.858 -7.319 -2.150 1.00 0.00 O ATOM 269 CB GLU A 17 -20.582 -4.758 -2.200 1.00 0.00 C ATOM 270 CG GLU A 17 -21.295 -3.501 -1.700 1.00 0.00 C ATOM 271 CD GLU A 17 -22.560 -3.226 -2.516 1.00 0.00 C ATOM 272 OE1 GLU A 17 -23.346 -4.183 -2.684 1.00 0.00 O ATOM 273 OE2 GLU A 17 -22.711 -2.065 -2.955 1.00 0.00 O ATOM 0 H GLU A 17 -18.233 -5.034 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.078 -5.736 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.680 -4.477 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -21.224 -5.290 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.555 -3.620 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.622 -2.646 -1.767 1.00 0.00 H new ATOM 280 N GLY A 18 -20.816 -8.006 -1.249 1.00 0.00 N ATOM 281 CA GLY A 18 -20.647 -9.389 -1.661 1.00 0.00 C ATOM 282 C GLY A 18 -19.472 -10.040 -0.928 1.00 0.00 C ATOM 283 O GLY A 18 -18.759 -9.375 -0.178 1.00 0.00 O ATOM 0 H GLY A 18 -21.678 -7.815 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -21.561 -9.947 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.479 -9.434 -2.737 1.00 0.00 H new ATOM 287 N ASP A 19 -19.307 -11.332 -1.171 1.00 0.00 N ATOM 288 CA ASP A 19 -18.230 -12.079 -0.544 1.00 0.00 C ATOM 289 C ASP A 19 -16.898 -11.382 -0.827 1.00 0.00 C ATOM 290 O ASP A 19 -16.697 -10.835 -1.911 1.00 0.00 O ATOM 291 CB ASP A 19 -18.148 -13.501 -1.104 1.00 0.00 C ATOM 292 CG ASP A 19 -17.576 -14.543 -0.142 1.00 0.00 C ATOM 293 OD1 ASP A 19 -16.337 -14.706 -0.153 1.00 0.00 O ATOM 294 OD2 ASP A 19 -18.391 -15.153 0.584 1.00 0.00 O ATOM 0 H ASP A 19 -19.901 -11.880 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.430 -12.123 0.527 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -19.148 -13.815 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.535 -13.486 -2.005 1.00 0.00 H new ATOM 299 N PRO A 20 -15.999 -11.424 0.193 1.00 0.00 N ATOM 300 CA PRO A 20 -14.692 -10.802 0.064 1.00 0.00 C ATOM 301 C PRO A 20 -13.772 -11.639 -0.827 1.00 0.00 C ATOM 302 O PRO A 20 -12.622 -11.271 -1.057 1.00 0.00 O ATOM 303 CB PRO A 20 -14.179 -10.669 1.489 1.00 0.00 C ATOM 304 CG PRO A 20 -15.004 -11.635 2.322 1.00 0.00 C ATOM 305 CD PRO A 20 -16.203 -12.061 1.490 1.00 0.00 C ATOM 0 HA PRO A 20 -14.735 -9.828 -0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.118 -10.912 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -14.292 -9.647 1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.407 -12.502 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.331 -11.159 3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.254 -13.146 1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -17.138 -11.737 1.948 1.00 0.00 H new ATOM 313 N ASN A 21 -14.314 -12.750 -1.305 1.00 0.00 N ATOM 314 CA ASN A 21 -13.557 -13.642 -2.165 1.00 0.00 C ATOM 315 C ASN A 21 -13.889 -13.337 -3.627 1.00 0.00 C ATOM 316 O ASN A 21 -13.414 -14.023 -4.532 1.00 0.00 O ATOM 317 CB ASN A 21 -13.915 -15.105 -1.895 1.00 0.00 C ATOM 318 CG ASN A 21 -13.371 -15.561 -0.539 1.00 0.00 C ATOM 319 OD1 ASN A 21 -12.545 -14.909 0.078 1.00 0.00 O ATOM 320 ND2 ASN A 21 -13.879 -16.713 -0.113 1.00 0.00 N ATOM 0 H ASN A 21 -15.269 -13.052 -1.112 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.497 -13.487 -1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.998 -15.228 -1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.507 -15.735 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.580 -17.103 0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.568 -17.207 -0.680 1.00 0.00 H new ATOM 327 N GLN A 22 -14.701 -12.307 -3.814 1.00 0.00 N ATOM 328 CA GLN A 22 -15.102 -11.902 -5.151 1.00 0.00 C ATOM 329 C GLN A 22 -15.355 -10.394 -5.195 1.00 0.00 C ATOM 330 O GLN A 22 -16.089 -9.860 -4.365 1.00 0.00 O ATOM 331 CB GLN A 22 -16.337 -12.680 -5.612 1.00 0.00 C ATOM 332 CG GLN A 22 -17.359 -12.805 -4.481 1.00 0.00 C ATOM 333 CD GLN A 22 -17.747 -14.268 -4.252 1.00 0.00 C ATOM 334 OE1 GLN A 22 -16.753 -15.027 -3.799 1.00 0.00 O flip ATOM 335 NE2 GLN A 22 -18.874 -14.680 -4.473 1.00 0.00 N flip ATOM 0 H GLN A 22 -15.092 -11.740 -3.062 1.00 0.00 H new ATOM 0 HA GLN A 22 -14.289 -12.134 -5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.792 -12.175 -6.464 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -16.041 -13.673 -5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -16.945 -12.387 -3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.248 -12.223 -4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -19.591 -14.043 -4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -19.099 -15.661 -4.310 1.00 0.00 H new ATOM 344 N LEU A 23 -14.735 -9.751 -6.173 1.00 0.00 N ATOM 345 CA LEU A 23 -14.884 -8.315 -6.337 1.00 0.00 C ATOM 346 C LEU A 23 -16.019 -8.033 -7.324 1.00 0.00 C ATOM 347 O LEU A 23 -16.389 -8.901 -8.113 1.00 0.00 O ATOM 348 CB LEU A 23 -13.550 -7.680 -6.736 1.00 0.00 C ATOM 349 CG LEU A 23 -12.509 -7.549 -5.622 1.00 0.00 C ATOM 350 CD1 LEU A 23 -12.703 -6.249 -4.840 1.00 0.00 C ATOM 351 CD2 LEU A 23 -12.529 -8.776 -4.707 1.00 0.00 C ATOM 0 H LEU A 23 -14.128 -10.198 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 23 -15.162 -7.851 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -13.117 -8.270 -7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -13.749 -6.687 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.521 -7.504 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.950 -6.181 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.601 -5.399 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.697 -6.239 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.780 -8.658 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.515 -8.876 -4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.306 -9.669 -5.291 1.00 0.00 H new ATOM 363 N SER A 24 -16.539 -6.817 -7.247 1.00 0.00 N ATOM 364 CA SER A 24 -17.624 -6.411 -8.124 1.00 0.00 C ATOM 365 C SER A 24 -17.276 -5.087 -8.808 1.00 0.00 C ATOM 366 O SER A 24 -16.432 -4.336 -8.322 1.00 0.00 O ATOM 367 CB SER A 24 -18.937 -6.280 -7.351 1.00 0.00 C ATOM 368 OG SER A 24 -19.129 -7.357 -6.438 1.00 0.00 O ATOM 0 H SER A 24 -16.229 -6.100 -6.591 1.00 0.00 H new ATOM 0 HA SER A 24 -17.757 -7.181 -8.884 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.944 -5.337 -6.805 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.770 -6.248 -8.054 1.00 0.00 H new ATOM 0 HG SER A 24 -19.977 -7.236 -5.963 1.00 0.00 H new ATOM 374 N LYS A 25 -17.944 -4.841 -9.925 1.00 0.00 N ATOM 375 CA LYS A 25 -17.717 -3.621 -10.681 1.00 0.00 C ATOM 376 C LYS A 25 -17.875 -2.415 -9.753 1.00 0.00 C ATOM 377 O LYS A 25 -16.944 -1.628 -9.588 1.00 0.00 O ATOM 378 CB LYS A 25 -18.626 -3.575 -11.910 1.00 0.00 C ATOM 379 CG LYS A 25 -18.343 -2.331 -12.755 1.00 0.00 C ATOM 380 CD LYS A 25 -19.553 -1.966 -13.617 1.00 0.00 C ATOM 381 CE LYS A 25 -19.124 -1.604 -15.040 1.00 0.00 C ATOM 382 NZ LYS A 25 -20.024 -0.575 -15.606 1.00 0.00 N ATOM 0 H LYS A 25 -18.643 -5.466 -10.325 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.698 -3.596 -11.067 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -18.474 -4.471 -12.513 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.670 -3.576 -11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.091 -1.494 -12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -17.478 -2.510 -13.394 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.250 -2.804 -13.646 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -20.083 -1.126 -13.168 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.098 -1.235 -15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -19.139 -2.494 -15.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -19.719 -0.341 -16.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.998 -0.940 -15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -19.989 0.280 -15.015 1.00 0.00 H new ATOM 396 N GLU A 26 -19.060 -2.308 -9.171 1.00 0.00 N ATOM 397 CA GLU A 26 -19.353 -1.211 -8.264 1.00 0.00 C ATOM 398 C GLU A 26 -18.312 -1.157 -7.144 1.00 0.00 C ATOM 399 O GLU A 26 -17.903 -0.076 -6.724 1.00 0.00 O ATOM 400 CB GLU A 26 -20.767 -1.333 -7.693 1.00 0.00 C ATOM 401 CG GLU A 26 -21.627 -0.135 -8.098 1.00 0.00 C ATOM 402 CD GLU A 26 -22.477 0.352 -6.923 1.00 0.00 C ATOM 403 OE1 GLU A 26 -21.980 0.247 -5.781 1.00 0.00 O ATOM 404 OE2 GLU A 26 -23.605 0.819 -7.193 1.00 0.00 O ATOM 0 H GLU A 26 -19.829 -2.963 -9.310 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.304 -0.278 -8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.229 -2.254 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -20.720 -1.400 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.987 0.675 -8.449 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.275 -0.412 -8.930 1.00 0.00 H new ATOM 411 N GLU A 27 -17.914 -2.337 -6.692 1.00 0.00 N ATOM 412 CA GLU A 27 -16.929 -2.438 -5.629 1.00 0.00 C ATOM 413 C GLU A 27 -15.579 -1.894 -6.102 1.00 0.00 C ATOM 414 O GLU A 27 -15.062 -0.930 -5.539 1.00 0.00 O ATOM 415 CB GLU A 27 -16.797 -3.881 -5.138 1.00 0.00 C ATOM 416 CG GLU A 27 -17.586 -4.095 -3.845 1.00 0.00 C ATOM 417 CD GLU A 27 -16.651 -4.157 -2.636 1.00 0.00 C ATOM 418 OE1 GLU A 27 -15.541 -4.705 -2.804 1.00 0.00 O ATOM 419 OE2 GLU A 27 -17.068 -3.654 -1.570 1.00 0.00 O ATOM 0 H GLU A 27 -18.256 -3.232 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.268 -1.833 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.159 -4.565 -5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.746 -4.117 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.303 -3.284 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.159 -5.019 -3.913 1.00 0.00 H new ATOM 426 N LEU A 28 -15.047 -2.535 -7.132 1.00 0.00 N ATOM 427 CA LEU A 28 -13.768 -2.128 -7.687 1.00 0.00 C ATOM 428 C LEU A 28 -13.776 -0.616 -7.921 1.00 0.00 C ATOM 429 O LEU A 28 -12.781 0.061 -7.667 1.00 0.00 O ATOM 430 CB LEU A 28 -13.444 -2.942 -8.942 1.00 0.00 C ATOM 431 CG LEU A 28 -11.963 -3.045 -9.311 1.00 0.00 C ATOM 432 CD1 LEU A 28 -11.076 -2.852 -8.080 1.00 0.00 C ATOM 433 CD2 LEU A 28 -11.668 -4.364 -10.029 1.00 0.00 C ATOM 0 H LEU A 28 -15.479 -3.334 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.964 -2.338 -6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.836 -3.950 -8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.978 -2.502 -9.784 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.727 -2.239 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.028 -2.930 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.261 -1.868 -7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.306 -3.620 -7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.608 -4.412 -10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.925 -5.199 -9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.261 -4.422 -10.942 1.00 0.00 H new ATOM 445 N LYS A 29 -14.911 -0.130 -8.403 1.00 0.00 N ATOM 446 CA LYS A 29 -15.062 1.289 -8.674 1.00 0.00 C ATOM 447 C LYS A 29 -14.540 2.091 -7.479 1.00 0.00 C ATOM 448 O LYS A 29 -13.667 2.943 -7.633 1.00 0.00 O ATOM 449 CB LYS A 29 -16.511 1.613 -9.045 1.00 0.00 C ATOM 450 CG LYS A 29 -16.666 3.089 -9.413 1.00 0.00 C ATOM 451 CD LYS A 29 -18.000 3.341 -10.120 1.00 0.00 C ATOM 452 CE LYS A 29 -18.405 4.813 -10.019 1.00 0.00 C ATOM 453 NZ LYS A 29 -19.878 4.949 -10.061 1.00 0.00 N ATOM 0 H LYS A 29 -15.734 -0.694 -8.613 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.463 1.577 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.823 0.991 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.167 1.372 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.607 3.700 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.844 3.394 -10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.920 3.053 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -18.775 2.716 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.021 5.239 -9.092 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.958 5.376 -10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -20.136 5.954 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -20.237 4.561 -10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -20.298 4.428 -9.265 1.00 0.00 H new ATOM 467 N LEU A 30 -15.097 1.788 -6.316 1.00 0.00 N ATOM 468 CA LEU A 30 -14.698 2.470 -5.096 1.00 0.00 C ATOM 469 C LEU A 30 -13.180 2.365 -4.931 1.00 0.00 C ATOM 470 O LEU A 30 -12.492 3.380 -4.833 1.00 0.00 O ATOM 471 CB LEU A 30 -15.485 1.931 -3.899 1.00 0.00 C ATOM 472 CG LEU A 30 -17.007 2.051 -3.988 1.00 0.00 C ATOM 473 CD1 LEU A 30 -17.656 1.829 -2.621 1.00 0.00 C ATOM 474 CD2 LEU A 30 -17.416 3.390 -4.606 1.00 0.00 C ATOM 0 H LEU A 30 -15.821 1.080 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.940 3.531 -5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.231 0.879 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.151 2.456 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.373 1.266 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -18.738 1.920 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.405 0.833 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.288 2.576 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.503 3.450 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.037 4.206 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.000 3.469 -5.610 1.00 0.00 H new ATOM 486 N LEU A 31 -12.703 1.130 -4.907 1.00 0.00 N ATOM 487 CA LEU A 31 -11.280 0.880 -4.756 1.00 0.00 C ATOM 488 C LEU A 31 -10.505 1.759 -5.740 1.00 0.00 C ATOM 489 O LEU A 31 -9.764 2.651 -5.331 1.00 0.00 O ATOM 490 CB LEU A 31 -10.980 -0.614 -4.898 1.00 0.00 C ATOM 491 CG LEU A 31 -9.690 -1.105 -4.237 1.00 0.00 C ATOM 492 CD1 LEU A 31 -9.949 -2.348 -3.385 1.00 0.00 C ATOM 493 CD2 LEU A 31 -8.596 -1.343 -5.281 1.00 0.00 C ATOM 0 H LEU A 31 -13.277 0.291 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.949 1.154 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.816 -1.174 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.936 -0.856 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.331 -0.325 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.016 -2.676 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.672 -2.110 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.344 -3.145 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.690 -1.691 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.932 -2.096 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.387 -0.412 -5.807 1.00 0.00 H new ATOM 505 N LEU A 32 -10.703 1.475 -7.019 1.00 0.00 N ATOM 506 CA LEU A 32 -10.032 2.229 -8.065 1.00 0.00 C ATOM 507 C LEU A 32 -10.195 3.725 -7.794 1.00 0.00 C ATOM 508 O LEU A 32 -9.400 4.536 -8.267 1.00 0.00 O ATOM 509 CB LEU A 32 -10.534 1.795 -9.444 1.00 0.00 C ATOM 510 CG LEU A 32 -10.411 0.304 -9.765 1.00 0.00 C ATOM 511 CD1 LEU A 32 -11.193 -0.050 -11.031 1.00 0.00 C ATOM 512 CD2 LEU A 32 -8.943 -0.117 -9.860 1.00 0.00 C ATOM 0 H LEU A 32 -11.318 0.734 -7.355 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.962 2.019 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.582 2.080 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.986 2.356 -10.201 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.855 -0.260 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.089 -1.115 -11.237 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.246 0.191 -10.887 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.802 0.522 -11.872 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.884 -1.181 -10.089 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.452 0.452 -10.649 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.446 0.078 -8.909 1.00 0.00 H new ATOM 524 N GLN A 33 -11.230 4.047 -7.032 1.00 0.00 N ATOM 525 CA GLN A 33 -11.507 5.432 -6.692 1.00 0.00 C ATOM 526 C GLN A 33 -10.448 5.963 -5.723 1.00 0.00 C ATOM 527 O GLN A 33 -9.703 6.884 -6.056 1.00 0.00 O ATOM 528 CB GLN A 33 -12.911 5.582 -6.104 1.00 0.00 C ATOM 529 CG GLN A 33 -13.637 6.782 -6.716 1.00 0.00 C ATOM 530 CD GLN A 33 -15.023 6.961 -6.095 1.00 0.00 C ATOM 531 OE1 GLN A 33 -15.302 7.924 -5.400 1.00 0.00 O ATOM 532 NE2 GLN A 33 -15.875 5.980 -6.381 1.00 0.00 N ATOM 0 H GLN A 33 -11.887 3.372 -6.640 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.466 6.025 -7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -13.485 4.673 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.845 5.705 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -13.047 7.685 -6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.733 6.643 -7.793 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -15.578 5.202 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.826 6.006 -6.012 1.00 0.00 H new ATOM 541 N THR A 34 -10.414 5.360 -4.544 1.00 0.00 N ATOM 542 CA THR A 34 -9.459 5.760 -3.525 1.00 0.00 C ATOM 543 C THR A 34 -8.087 5.147 -3.811 1.00 0.00 C ATOM 544 O THR A 34 -7.077 5.849 -3.811 1.00 0.00 O ATOM 545 CB THR A 34 -10.029 5.365 -2.162 1.00 0.00 C ATOM 546 OG1 THR A 34 -10.511 6.592 -1.619 1.00 0.00 O ATOM 547 CG2 THR A 34 -8.943 4.924 -1.179 1.00 0.00 C ATOM 0 H THR A 34 -11.033 4.597 -4.272 1.00 0.00 H new ATOM 0 HA THR A 34 -9.305 6.839 -3.528 1.00 0.00 H new ATOM 0 HB THR A 34 -10.751 4.559 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.900 6.428 -0.735 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.401 4.655 -0.227 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.414 4.061 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.239 5.741 -1.024 1.00 0.00 H new ATOM 555 N GLU A 35 -8.094 3.843 -4.046 1.00 0.00 N ATOM 556 CA GLU A 35 -6.862 3.127 -4.333 1.00 0.00 C ATOM 557 C GLU A 35 -6.040 3.883 -5.378 1.00 0.00 C ATOM 558 O GLU A 35 -4.904 4.275 -5.115 1.00 0.00 O ATOM 559 CB GLU A 35 -7.153 1.698 -4.793 1.00 0.00 C ATOM 560 CG GLU A 35 -5.868 0.988 -5.225 1.00 0.00 C ATOM 561 CD GLU A 35 -5.502 -0.127 -4.244 1.00 0.00 C ATOM 562 OE1 GLU A 35 -5.295 0.206 -3.057 1.00 0.00 O ATOM 563 OE2 GLU A 35 -5.436 -1.288 -4.703 1.00 0.00 O ATOM 0 H GLU A 35 -8.933 3.263 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.278 3.066 -3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.626 1.141 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.859 1.716 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.997 0.571 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.052 1.708 -5.283 1.00 0.00 H new ATOM 570 N PHE A 36 -6.646 4.066 -6.542 1.00 0.00 N ATOM 571 CA PHE A 36 -5.983 4.768 -7.628 1.00 0.00 C ATOM 572 C PHE A 36 -7.003 5.455 -8.539 1.00 0.00 C ATOM 573 O PHE A 36 -7.462 4.868 -9.517 1.00 0.00 O ATOM 574 CB PHE A 36 -5.219 3.719 -8.439 1.00 0.00 C ATOM 575 CG PHE A 36 -3.822 3.411 -7.898 1.00 0.00 C ATOM 576 CD1 PHE A 36 -2.821 4.320 -8.043 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.581 2.229 -7.270 1.00 0.00 C ATOM 578 CE1 PHE A 36 -1.523 4.034 -7.541 1.00 0.00 C ATOM 579 CE2 PHE A 36 -2.283 1.943 -6.768 1.00 0.00 C ATOM 580 CZ PHE A 36 -1.282 2.852 -6.914 1.00 0.00 C ATOM 0 H PHE A 36 -7.589 3.740 -6.757 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.320 5.534 -7.226 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.800 2.797 -8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.131 4.065 -9.469 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.013 5.260 -8.540 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.376 1.508 -7.153 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.728 4.756 -7.657 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.091 1.004 -6.270 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.296 2.635 -6.532 1.00 0.00 H new ATOM 590 N PRO A 37 -7.335 6.723 -8.175 1.00 0.00 N ATOM 591 CA PRO A 37 -8.291 7.497 -8.948 1.00 0.00 C ATOM 592 C PRO A 37 -7.666 7.998 -10.252 1.00 0.00 C ATOM 593 O PRO A 37 -8.321 8.681 -11.037 1.00 0.00 O ATOM 594 CB PRO A 37 -8.723 8.625 -8.025 1.00 0.00 C ATOM 595 CG PRO A 37 -7.655 8.713 -6.947 1.00 0.00 C ATOM 596 CD PRO A 37 -6.811 7.451 -7.023 1.00 0.00 C ATOM 0 HA PRO A 37 -9.151 6.907 -9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.806 9.565 -8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.701 8.421 -7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.034 9.597 -7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.113 8.807 -5.962 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.755 7.688 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.897 6.862 -6.110 1.00 0.00 H new ATOM 604 N SER A 38 -6.405 7.638 -10.442 1.00 0.00 N ATOM 605 CA SER A 38 -5.684 8.042 -11.637 1.00 0.00 C ATOM 606 C SER A 38 -5.872 6.998 -12.740 1.00 0.00 C ATOM 607 O SER A 38 -5.920 7.339 -13.921 1.00 0.00 O ATOM 608 CB SER A 38 -4.196 8.240 -11.342 1.00 0.00 C ATOM 609 OG SER A 38 -3.655 7.164 -10.580 1.00 0.00 O ATOM 0 H SER A 38 -5.864 7.071 -9.789 1.00 0.00 H new ATOM 0 HA SER A 38 -6.090 8.996 -11.975 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.649 8.330 -12.281 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.055 9.175 -10.800 1.00 0.00 H new ATOM 0 HG SER A 38 -2.703 7.327 -10.414 1.00 0.00 H new ATOM 615 N LEU A 39 -5.972 5.747 -12.315 1.00 0.00 N ATOM 616 CA LEU A 39 -6.153 4.651 -13.252 1.00 0.00 C ATOM 617 C LEU A 39 -7.559 4.725 -13.851 1.00 0.00 C ATOM 618 O LEU A 39 -7.814 4.168 -14.917 1.00 0.00 O ATOM 619 CB LEU A 39 -5.841 3.313 -12.579 1.00 0.00 C ATOM 620 CG LEU A 39 -4.646 2.541 -13.144 1.00 0.00 C ATOM 621 CD1 LEU A 39 -5.064 1.683 -14.339 1.00 0.00 C ATOM 622 CD2 LEU A 39 -3.496 3.488 -13.492 1.00 0.00 C ATOM 0 H LEU A 39 -5.931 5.468 -11.335 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.448 4.737 -14.079 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.663 3.495 -11.519 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.725 2.679 -12.649 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.281 1.863 -12.372 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.197 1.145 -14.722 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.825 0.968 -14.025 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.469 2.323 -15.123 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.660 2.914 -13.891 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.831 4.208 -14.239 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.177 4.018 -12.595 1.00 0.00 H new ATOM 634 N LEU A 40 -8.436 5.417 -13.137 1.00 0.00 N ATOM 635 CA LEU A 40 -9.810 5.571 -13.584 1.00 0.00 C ATOM 636 C LEU A 40 -9.856 6.571 -14.742 1.00 0.00 C ATOM 637 O LEU A 40 -10.771 6.532 -15.563 1.00 0.00 O ATOM 638 CB LEU A 40 -10.716 5.946 -12.411 1.00 0.00 C ATOM 639 CG LEU A 40 -10.890 4.877 -11.329 1.00 0.00 C ATOM 640 CD1 LEU A 40 -11.692 5.421 -10.145 1.00 0.00 C ATOM 641 CD2 LEU A 40 -11.515 3.607 -11.909 1.00 0.00 C ATOM 0 H LEU A 40 -8.221 5.877 -12.252 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.195 4.625 -13.964 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.318 6.846 -11.943 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.700 6.200 -12.805 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.903 4.608 -10.953 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.801 4.642 -9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.169 6.274 -9.712 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.678 5.735 -10.487 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.628 2.864 -11.120 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.493 3.842 -12.329 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.870 3.209 -12.693 1.00 0.00 H new ATOM 653 N LYS A 41 -8.859 7.442 -14.769 1.00 0.00 N ATOM 654 CA LYS A 41 -8.774 8.451 -15.811 1.00 0.00 C ATOM 655 C LYS A 41 -8.435 7.775 -17.142 1.00 0.00 C ATOM 656 O LYS A 41 -8.868 8.228 -18.200 1.00 0.00 O ATOM 657 CB LYS A 41 -7.791 9.553 -15.412 1.00 0.00 C ATOM 658 CG LYS A 41 -8.305 10.334 -14.202 1.00 0.00 C ATOM 659 CD LYS A 41 -9.511 11.196 -14.577 1.00 0.00 C ATOM 660 CE LYS A 41 -9.396 12.596 -13.970 1.00 0.00 C ATOM 661 NZ LYS A 41 -10.294 13.541 -14.670 1.00 0.00 N ATOM 0 H LYS A 41 -8.102 7.470 -14.086 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.736 8.947 -15.941 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.821 9.113 -15.180 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.641 10.233 -16.251 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.582 9.640 -13.408 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.509 10.967 -13.809 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.585 11.271 -15.662 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.426 10.718 -14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.650 12.561 -12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.366 12.945 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.203 14.486 -14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.033 13.587 -15.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.278 13.215 -14.582 1.00 0.00 H new ATOM 675 N GLY A 42 -7.662 6.703 -17.044 1.00 0.00 N ATOM 676 CA GLY A 42 -7.259 5.961 -18.227 1.00 0.00 C ATOM 677 C GLY A 42 -8.428 5.807 -19.202 1.00 0.00 C ATOM 678 O GLY A 42 -9.578 6.058 -18.843 1.00 0.00 O ATOM 0 H GLY A 42 -7.304 6.331 -16.164 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.435 6.476 -18.720 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.892 4.977 -17.936 1.00 0.00 H new ATOM 682 N MET A 43 -8.094 5.395 -20.416 1.00 0.00 N ATOM 683 CA MET A 43 -9.101 5.205 -21.446 1.00 0.00 C ATOM 684 C MET A 43 -9.945 3.960 -21.164 1.00 0.00 C ATOM 685 O MET A 43 -10.900 3.677 -21.885 1.00 0.00 O ATOM 686 CB MET A 43 -8.419 5.063 -22.808 1.00 0.00 C ATOM 687 CG MET A 43 -7.598 6.310 -23.143 1.00 0.00 C ATOM 688 SD MET A 43 -8.611 7.490 -24.019 1.00 0.00 S ATOM 689 CE MET A 43 -7.533 8.912 -23.981 1.00 0.00 C ATOM 0 H MET A 43 -7.139 5.187 -20.710 1.00 0.00 H new ATOM 0 HA MET A 43 -9.759 6.074 -21.449 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.771 4.187 -22.804 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.171 4.900 -23.580 1.00 0.00 H new ATOM 0 HG2 MET A 43 -7.212 6.758 -22.227 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.736 6.036 -23.751 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.015 9.747 -24.489 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.328 9.186 -22.946 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.597 8.672 -24.485 1.00 0.00 H new ATOM 699 N SER A 44 -9.560 3.249 -20.114 1.00 0.00 N ATOM 700 CA SER A 44 -10.268 2.040 -19.729 1.00 0.00 C ATOM 701 C SER A 44 -11.395 2.383 -18.753 1.00 0.00 C ATOM 702 O SER A 44 -11.159 2.540 -17.556 1.00 0.00 O ATOM 703 CB SER A 44 -9.316 1.020 -19.102 1.00 0.00 C ATOM 704 OG SER A 44 -8.205 0.737 -19.948 1.00 0.00 O ATOM 0 H SER A 44 -8.767 3.487 -19.518 1.00 0.00 H new ATOM 0 HA SER A 44 -10.696 1.593 -20.627 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.956 1.400 -18.146 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.858 0.097 -18.895 1.00 0.00 H new ATOM 0 HG SER A 44 -7.620 0.083 -19.512 1.00 0.00 H new ATOM 710 N THR A 45 -12.597 2.490 -19.300 1.00 0.00 N ATOM 711 CA THR A 45 -13.762 2.812 -18.492 1.00 0.00 C ATOM 712 C THR A 45 -14.060 1.676 -17.511 1.00 0.00 C ATOM 713 O THR A 45 -13.478 0.597 -17.609 1.00 0.00 O ATOM 714 CB THR A 45 -14.924 3.118 -19.439 1.00 0.00 C ATOM 715 OG1 THR A 45 -15.061 1.931 -20.216 1.00 0.00 O ATOM 716 CG2 THR A 45 -14.574 4.197 -20.466 1.00 0.00 C ATOM 0 H THR A 45 -12.790 2.359 -20.293 1.00 0.00 H new ATOM 0 HA THR A 45 -13.585 3.694 -17.876 1.00 0.00 H new ATOM 0 HB THR A 45 -15.790 3.436 -18.859 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.795 2.042 -20.856 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.433 4.376 -21.113 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.311 5.120 -19.949 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.729 3.865 -21.069 1.00 0.00 H new ATOM 724 N LEU A 46 -14.968 1.958 -16.588 1.00 0.00 N ATOM 725 CA LEU A 46 -15.351 0.974 -15.590 1.00 0.00 C ATOM 726 C LEU A 46 -15.723 -0.335 -16.288 1.00 0.00 C ATOM 727 O LEU A 46 -15.052 -1.351 -16.109 1.00 0.00 O ATOM 728 CB LEU A 46 -16.458 1.527 -14.690 1.00 0.00 C ATOM 729 CG LEU A 46 -16.422 1.076 -13.228 1.00 0.00 C ATOM 730 CD1 LEU A 46 -15.667 2.085 -12.361 1.00 0.00 C ATOM 731 CD2 LEU A 46 -17.834 0.810 -12.702 1.00 0.00 C ATOM 0 H LEU A 46 -15.449 2.854 -16.510 1.00 0.00 H new ATOM 0 HA LEU A 46 -14.513 0.756 -14.928 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -16.409 2.616 -14.715 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -17.421 1.241 -15.114 1.00 0.00 H new ATOM 0 HG LEU A 46 -15.876 0.134 -13.174 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.656 1.740 -11.327 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -14.643 2.181 -12.722 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -16.163 3.054 -12.415 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -17.780 0.491 -11.661 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -18.426 1.722 -12.772 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -18.303 0.027 -13.298 1.00 0.00 H new ATOM 743 N ASP A 47 -16.791 -0.270 -17.069 1.00 0.00 N ATOM 744 CA ASP A 47 -17.261 -1.438 -17.794 1.00 0.00 C ATOM 745 C ASP A 47 -16.067 -2.148 -18.435 1.00 0.00 C ATOM 746 O ASP A 47 -15.874 -3.347 -18.239 1.00 0.00 O ATOM 747 CB ASP A 47 -18.229 -1.041 -18.910 1.00 0.00 C ATOM 748 CG ASP A 47 -19.463 -1.936 -19.044 1.00 0.00 C ATOM 749 OD1 ASP A 47 -19.264 -3.140 -19.315 1.00 0.00 O ATOM 750 OD2 ASP A 47 -20.577 -1.396 -18.871 1.00 0.00 O ATOM 0 H ASP A 47 -17.345 0.574 -17.216 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.774 -2.090 -17.087 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -18.559 -0.017 -18.737 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.690 -1.047 -19.857 1.00 0.00 H new ATOM 755 N GLU A 48 -15.296 -1.378 -19.189 1.00 0.00 N ATOM 756 CA GLU A 48 -14.126 -1.919 -19.860 1.00 0.00 C ATOM 757 C GLU A 48 -13.206 -2.609 -18.851 1.00 0.00 C ATOM 758 O GLU A 48 -12.744 -3.724 -19.088 1.00 0.00 O ATOM 759 CB GLU A 48 -13.378 -0.825 -20.625 1.00 0.00 C ATOM 760 CG GLU A 48 -13.501 -1.030 -22.136 1.00 0.00 C ATOM 761 CD GLU A 48 -12.276 -0.475 -22.866 1.00 0.00 C ATOM 762 OE1 GLU A 48 -11.249 -1.188 -22.875 1.00 0.00 O ATOM 763 OE2 GLU A 48 -12.394 0.650 -23.398 1.00 0.00 O ATOM 0 H GLU A 48 -15.459 -0.384 -19.350 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.459 -2.662 -20.585 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.778 0.152 -20.353 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.326 -0.830 -20.338 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.609 -2.092 -22.355 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.401 -0.536 -22.502 1.00 0.00 H new ATOM 770 N LEU A 49 -12.968 -1.917 -17.746 1.00 0.00 N ATOM 771 CA LEU A 49 -12.112 -2.450 -16.700 1.00 0.00 C ATOM 772 C LEU A 49 -12.752 -3.712 -16.116 1.00 0.00 C ATOM 773 O LEU A 49 -12.069 -4.709 -15.888 1.00 0.00 O ATOM 774 CB LEU A 49 -11.811 -1.374 -15.654 1.00 0.00 C ATOM 775 CG LEU A 49 -10.368 -1.315 -15.149 1.00 0.00 C ATOM 776 CD1 LEU A 49 -9.516 -0.400 -16.031 1.00 0.00 C ATOM 777 CD2 LEU A 49 -10.319 -0.900 -13.677 1.00 0.00 C ATOM 0 H LEU A 49 -13.353 -0.992 -17.553 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.146 -2.743 -17.111 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.067 -0.403 -16.077 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.468 -1.533 -14.799 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.941 -2.316 -15.216 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.495 -0.376 -15.650 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.513 -0.779 -17.053 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.932 0.607 -16.019 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.282 -0.866 -13.343 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.770 0.086 -13.562 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.870 -1.624 -13.076 1.00 0.00 H new ATOM 789 N PHE A 50 -14.055 -3.627 -15.892 1.00 0.00 N ATOM 790 CA PHE A 50 -14.793 -4.749 -15.340 1.00 0.00 C ATOM 791 C PHE A 50 -14.697 -5.972 -16.254 1.00 0.00 C ATOM 792 O PHE A 50 -14.329 -7.058 -15.809 1.00 0.00 O ATOM 793 CB PHE A 50 -16.257 -4.316 -15.240 1.00 0.00 C ATOM 794 CG PHE A 50 -17.140 -5.283 -14.449 1.00 0.00 C ATOM 795 CD1 PHE A 50 -16.696 -5.802 -13.273 1.00 0.00 C ATOM 796 CD2 PHE A 50 -18.369 -5.623 -14.921 1.00 0.00 C ATOM 797 CE1 PHE A 50 -17.515 -6.700 -12.538 1.00 0.00 C ATOM 798 CE2 PHE A 50 -19.189 -6.521 -14.187 1.00 0.00 C ATOM 799 CZ PHE A 50 -18.744 -7.040 -13.011 1.00 0.00 C ATOM 0 H PHE A 50 -14.618 -2.798 -16.083 1.00 0.00 H new ATOM 0 HA PHE A 50 -14.382 -5.022 -14.368 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -16.303 -3.333 -14.772 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -16.663 -4.210 -16.246 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -15.720 -5.531 -12.898 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -18.722 -5.210 -15.854 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -17.162 -7.112 -11.604 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -20.165 -6.791 -14.562 1.00 0.00 H new ATOM 0 HZ PHE A 50 -19.367 -7.723 -12.452 1.00 0.00 H new ATOM 809 N GLU A 51 -15.035 -5.755 -17.517 1.00 0.00 N ATOM 810 CA GLU A 51 -14.991 -6.826 -18.498 1.00 0.00 C ATOM 811 C GLU A 51 -13.542 -7.222 -18.787 1.00 0.00 C ATOM 812 O GLU A 51 -13.236 -8.404 -18.938 1.00 0.00 O ATOM 813 CB GLU A 51 -15.716 -6.421 -19.784 1.00 0.00 C ATOM 814 CG GLU A 51 -17.023 -7.199 -19.944 1.00 0.00 C ATOM 815 CD GLU A 51 -17.627 -6.977 -21.332 1.00 0.00 C ATOM 816 OE1 GLU A 51 -16.829 -6.877 -22.289 1.00 0.00 O ATOM 817 OE2 GLU A 51 -18.873 -6.911 -21.405 1.00 0.00 O ATOM 0 H GLU A 51 -15.340 -4.853 -17.883 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.508 -7.692 -18.085 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.925 -5.351 -19.767 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.071 -6.606 -20.643 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.839 -8.262 -19.790 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.734 -6.884 -19.180 1.00 0.00 H new ATOM 824 N GLU A 52 -12.688 -6.211 -18.855 1.00 0.00 N ATOM 825 CA GLU A 52 -11.278 -6.439 -19.123 1.00 0.00 C ATOM 826 C GLU A 52 -10.649 -7.260 -17.995 1.00 0.00 C ATOM 827 O GLU A 52 -10.083 -8.324 -18.238 1.00 0.00 O ATOM 828 CB GLU A 52 -10.536 -5.116 -19.319 1.00 0.00 C ATOM 829 CG GLU A 52 -9.047 -5.355 -19.579 1.00 0.00 C ATOM 830 CD GLU A 52 -8.347 -4.058 -19.988 1.00 0.00 C ATOM 831 OE1 GLU A 52 -8.725 -3.519 -21.051 1.00 0.00 O ATOM 832 OE2 GLU A 52 -7.448 -3.635 -19.230 1.00 0.00 O ATOM 0 H GLU A 52 -12.945 -5.232 -18.729 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.191 -7.006 -20.050 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.972 -4.571 -20.156 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.659 -4.492 -18.434 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.578 -5.758 -18.682 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.926 -6.101 -20.365 1.00 0.00 H new ATOM 839 N LEU A 53 -10.769 -6.732 -16.786 1.00 0.00 N ATOM 840 CA LEU A 53 -10.220 -7.402 -15.619 1.00 0.00 C ATOM 841 C LEU A 53 -10.775 -8.826 -15.545 1.00 0.00 C ATOM 842 O LEU A 53 -10.016 -9.786 -15.421 1.00 0.00 O ATOM 843 CB LEU A 53 -10.475 -6.576 -14.357 1.00 0.00 C ATOM 844 CG LEU A 53 -9.906 -5.156 -14.358 1.00 0.00 C ATOM 845 CD1 LEU A 53 -10.755 -4.225 -13.491 1.00 0.00 C ATOM 846 CD2 LEU A 53 -8.436 -5.155 -13.931 1.00 0.00 C ATOM 0 H LEU A 53 -11.238 -5.848 -16.589 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.136 -7.486 -15.703 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.552 -6.514 -14.199 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.058 -7.113 -13.505 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.946 -4.772 -15.377 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.329 -3.222 -13.509 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.773 -4.194 -13.880 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.769 -4.595 -12.466 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.055 -4.134 -13.940 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.349 -5.566 -12.925 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.856 -5.765 -14.623 1.00 0.00 H new ATOM 858 N ASP A 54 -12.094 -8.918 -15.625 1.00 0.00 N ATOM 859 CA ASP A 54 -12.760 -10.208 -15.569 1.00 0.00 C ATOM 860 C ASP A 54 -12.457 -10.989 -16.850 1.00 0.00 C ATOM 861 O ASP A 54 -12.964 -10.654 -17.920 1.00 0.00 O ATOM 862 CB ASP A 54 -14.277 -10.041 -15.464 1.00 0.00 C ATOM 863 CG ASP A 54 -15.067 -11.349 -15.379 1.00 0.00 C ATOM 864 OD1 ASP A 54 -14.437 -12.370 -15.026 1.00 0.00 O ATOM 865 OD2 ASP A 54 -16.282 -11.298 -15.667 1.00 0.00 O ATOM 0 H ASP A 54 -12.720 -8.119 -15.728 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.395 -10.739 -14.690 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.501 -9.441 -14.582 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.626 -9.479 -16.330 1.00 0.00 H new ATOM 870 N LYS A 55 -11.633 -12.016 -16.698 1.00 0.00 N ATOM 871 CA LYS A 55 -11.257 -12.847 -17.829 1.00 0.00 C ATOM 872 C LYS A 55 -11.718 -14.284 -17.576 1.00 0.00 C ATOM 873 O LYS A 55 -11.579 -15.146 -18.442 1.00 0.00 O ATOM 874 CB LYS A 55 -9.759 -12.722 -18.112 1.00 0.00 C ATOM 875 CG LYS A 55 -9.490 -11.665 -19.185 1.00 0.00 C ATOM 876 CD LYS A 55 -8.255 -12.027 -20.013 1.00 0.00 C ATOM 877 CE LYS A 55 -7.975 -10.961 -21.074 1.00 0.00 C ATOM 878 NZ LYS A 55 -6.729 -11.276 -21.809 1.00 0.00 N ATOM 0 H LYS A 55 -11.216 -12.291 -15.809 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.758 -12.506 -18.735 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.233 -12.457 -17.195 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.365 -13.685 -18.438 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.358 -11.576 -19.839 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.345 -10.693 -18.714 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.390 -12.129 -19.357 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.406 -12.993 -20.494 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.811 -10.905 -21.771 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.888 -9.983 -20.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.554 -10.543 -22.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.931 -11.307 -21.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.826 -12.200 -22.276 1.00 0.00 H new ATOM 892 N ASN A 56 -12.256 -14.497 -16.384 1.00 0.00 N ATOM 893 CA ASN A 56 -12.737 -15.815 -16.005 1.00 0.00 C ATOM 894 C ASN A 56 -14.229 -15.920 -16.328 1.00 0.00 C ATOM 895 O ASN A 56 -14.890 -16.874 -15.921 1.00 0.00 O ATOM 896 CB ASN A 56 -12.560 -16.056 -14.505 1.00 0.00 C ATOM 897 CG ASN A 56 -11.171 -15.615 -14.039 1.00 0.00 C ATOM 898 OD1 ASN A 56 -10.987 -14.547 -13.478 1.00 0.00 O ATOM 899 ND2 ASN A 56 -10.208 -16.493 -14.302 1.00 0.00 N ATOM 0 H ASN A 56 -12.369 -13.779 -15.668 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.161 -16.556 -16.559 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.324 -15.509 -13.952 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.703 -17.114 -14.284 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.246 -16.291 -14.031 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -10.431 -17.369 -14.775 1.00 0.00 H new ATOM 906 N GLY A 57 -14.716 -14.927 -17.057 1.00 0.00 N ATOM 907 CA GLY A 57 -16.117 -14.896 -17.440 1.00 0.00 C ATOM 908 C GLY A 57 -17.005 -15.428 -16.313 1.00 0.00 C ATOM 909 O GLY A 57 -17.677 -16.445 -16.474 1.00 0.00 O ATOM 0 H GLY A 57 -14.165 -14.137 -17.393 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.408 -13.875 -17.686 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.266 -15.495 -18.339 1.00 0.00 H new ATOM 913 N ASP A 58 -16.978 -14.715 -15.196 1.00 0.00 N ATOM 914 CA ASP A 58 -17.772 -15.103 -14.042 1.00 0.00 C ATOM 915 C ASP A 58 -18.533 -13.883 -13.519 1.00 0.00 C ATOM 916 O ASP A 58 -19.757 -13.913 -13.404 1.00 0.00 O ATOM 917 CB ASP A 58 -16.883 -15.626 -12.912 1.00 0.00 C ATOM 918 CG ASP A 58 -15.642 -14.780 -12.622 1.00 0.00 C ATOM 919 OD1 ASP A 58 -15.092 -14.225 -13.598 1.00 0.00 O ATOM 920 OD2 ASP A 58 -15.271 -14.707 -11.430 1.00 0.00 O ATOM 0 H ASP A 58 -16.419 -13.872 -15.066 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.458 -15.890 -14.354 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -17.479 -15.693 -12.002 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.564 -16.639 -13.160 1.00 0.00 H new ATOM 925 N GLY A 59 -17.776 -12.838 -13.216 1.00 0.00 N ATOM 926 CA GLY A 59 -18.364 -11.611 -12.708 1.00 0.00 C ATOM 927 C GLY A 59 -17.630 -11.129 -11.455 1.00 0.00 C ATOM 928 O GLY A 59 -17.932 -10.060 -10.926 1.00 0.00 O ATOM 0 H GLY A 59 -16.761 -12.816 -13.313 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.324 -10.839 -13.477 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -19.416 -11.776 -12.476 1.00 0.00 H new ATOM 932 N GLU A 60 -16.680 -11.942 -11.015 1.00 0.00 N ATOM 933 CA GLU A 60 -15.901 -11.612 -9.834 1.00 0.00 C ATOM 934 C GLU A 60 -14.470 -11.244 -10.228 1.00 0.00 C ATOM 935 O GLU A 60 -13.831 -11.958 -10.999 1.00 0.00 O ATOM 936 CB GLU A 60 -15.914 -12.766 -8.830 1.00 0.00 C ATOM 937 CG GLU A 60 -17.343 -13.238 -8.554 1.00 0.00 C ATOM 938 CD GLU A 60 -18.319 -12.060 -8.557 1.00 0.00 C ATOM 939 OE1 GLU A 60 -17.987 -11.045 -7.908 1.00 0.00 O ATOM 940 OE2 GLU A 60 -19.376 -12.201 -9.210 1.00 0.00 O ATOM 0 H GLU A 60 -16.433 -12.828 -11.455 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.357 -10.748 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.322 -13.595 -9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.446 -12.447 -7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -17.642 -13.965 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.383 -13.745 -7.590 1.00 0.00 H new ATOM 947 N VAL A 61 -14.007 -10.129 -9.681 1.00 0.00 N ATOM 948 CA VAL A 61 -12.663 -9.657 -9.965 1.00 0.00 C ATOM 949 C VAL A 61 -11.758 -9.958 -8.769 1.00 0.00 C ATOM 950 O VAL A 61 -11.170 -9.048 -8.187 1.00 0.00 O ATOM 951 CB VAL A 61 -12.697 -8.172 -10.331 1.00 0.00 C ATOM 952 CG1 VAL A 61 -11.284 -7.586 -10.374 1.00 0.00 C ATOM 953 CG2 VAL A 61 -13.422 -7.951 -11.660 1.00 0.00 C ATOM 0 H VAL A 61 -14.540 -9.539 -9.042 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.248 -10.181 -10.826 1.00 0.00 H new ATOM 0 HB VAL A 61 -13.254 -7.648 -9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -11.336 -6.529 -10.636 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.815 -7.694 -9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.693 -8.116 -11.120 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -13.432 -6.887 -11.897 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.905 -8.494 -12.451 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.447 -8.314 -11.580 1.00 0.00 H new ATOM 963 N SER A 62 -11.673 -11.238 -8.439 1.00 0.00 N ATOM 964 CA SER A 62 -10.849 -11.670 -7.323 1.00 0.00 C ATOM 965 C SER A 62 -9.431 -11.116 -7.474 1.00 0.00 C ATOM 966 O SER A 62 -9.053 -10.653 -8.549 1.00 0.00 O ATOM 967 CB SER A 62 -10.815 -13.196 -7.222 1.00 0.00 C ATOM 968 OG SER A 62 -11.677 -13.814 -8.173 1.00 0.00 O ATOM 0 H SER A 62 -12.161 -11.990 -8.925 1.00 0.00 H new ATOM 0 HA SER A 62 -11.288 -11.282 -6.404 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.795 -13.547 -7.376 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.108 -13.499 -6.217 1.00 0.00 H new ATOM 0 HG SER A 62 -11.142 -14.319 -8.820 1.00 0.00 H new ATOM 974 N PHE A 63 -8.686 -11.180 -6.380 1.00 0.00 N ATOM 975 CA PHE A 63 -7.318 -10.690 -6.378 1.00 0.00 C ATOM 976 C PHE A 63 -6.536 -11.240 -7.573 1.00 0.00 C ATOM 977 O PHE A 63 -5.650 -10.569 -8.101 1.00 0.00 O ATOM 978 CB PHE A 63 -6.667 -11.188 -5.086 1.00 0.00 C ATOM 979 CG PHE A 63 -5.274 -10.609 -4.827 1.00 0.00 C ATOM 980 CD1 PHE A 63 -5.130 -9.289 -4.535 1.00 0.00 C ATOM 981 CD2 PHE A 63 -4.180 -11.415 -4.890 1.00 0.00 C ATOM 982 CE1 PHE A 63 -3.838 -8.752 -4.295 1.00 0.00 C ATOM 983 CE2 PHE A 63 -2.888 -10.878 -4.651 1.00 0.00 C ATOM 984 CZ PHE A 63 -2.744 -9.558 -4.358 1.00 0.00 C ATOM 0 H PHE A 63 -9.004 -11.563 -5.490 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.313 -9.602 -6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.315 -10.939 -4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.596 -12.275 -5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.999 -8.649 -4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.294 -12.464 -5.122 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.724 -7.704 -4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.019 -11.518 -4.702 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.761 -9.150 -4.175 1.00 0.00 H new ATOM 994 N GLU A 64 -6.893 -12.454 -7.965 1.00 0.00 N ATOM 995 CA GLU A 64 -6.236 -13.101 -9.088 1.00 0.00 C ATOM 996 C GLU A 64 -6.246 -12.180 -10.310 1.00 0.00 C ATOM 997 O GLU A 64 -5.205 -11.944 -10.922 1.00 0.00 O ATOM 998 CB GLU A 64 -6.895 -14.444 -9.409 1.00 0.00 C ATOM 999 CG GLU A 64 -8.410 -14.375 -9.206 1.00 0.00 C ATOM 1000 CD GLU A 64 -9.152 -14.941 -10.418 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -8.555 -14.906 -11.516 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -10.299 -15.395 -10.219 1.00 0.00 O ATOM 0 H GLU A 64 -7.629 -13.007 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.200 -13.298 -8.814 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.675 -14.724 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.474 -15.221 -8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.687 -14.934 -8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.712 -13.341 -9.041 1.00 0.00 H new ATOM 1009 N GLU A 65 -7.432 -11.686 -10.630 1.00 0.00 N ATOM 1010 CA GLU A 65 -7.591 -10.796 -11.768 1.00 0.00 C ATOM 1011 C GLU A 65 -7.001 -9.420 -11.452 1.00 0.00 C ATOM 1012 O GLU A 65 -6.489 -8.741 -12.341 1.00 0.00 O ATOM 1013 CB GLU A 65 -9.061 -10.683 -12.175 1.00 0.00 C ATOM 1014 CG GLU A 65 -9.648 -12.059 -12.497 1.00 0.00 C ATOM 1015 CD GLU A 65 -11.103 -12.156 -12.033 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -11.298 -12.481 -10.841 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -11.987 -11.903 -12.879 1.00 0.00 O ATOM 0 H GLU A 65 -8.293 -11.885 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.047 -11.217 -12.613 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.631 -10.220 -11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.152 -10.032 -13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.592 -12.240 -13.570 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.055 -12.834 -12.011 1.00 0.00 H new ATOM 1024 N PHE A 66 -7.095 -9.049 -10.184 1.00 0.00 N ATOM 1025 CA PHE A 66 -6.577 -7.766 -9.740 1.00 0.00 C ATOM 1026 C PHE A 66 -5.080 -7.647 -10.032 1.00 0.00 C ATOM 1027 O PHE A 66 -4.581 -6.556 -10.303 1.00 0.00 O ATOM 1028 CB PHE A 66 -6.796 -7.694 -8.227 1.00 0.00 C ATOM 1029 CG PHE A 66 -6.343 -6.377 -7.594 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -7.166 -5.295 -7.612 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -5.116 -6.289 -7.013 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -6.746 -4.073 -7.024 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -4.695 -5.066 -6.426 1.00 0.00 C ATOM 1034 CZ PHE A 66 -5.519 -3.984 -6.444 1.00 0.00 C ATOM 0 H PHE A 66 -7.522 -9.614 -9.450 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.087 -6.958 -10.264 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.855 -7.841 -8.016 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.260 -8.516 -7.753 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.140 -5.365 -8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.462 -7.149 -6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.401 -3.214 -7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.721 -4.995 -5.965 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.199 -3.054 -5.998 1.00 0.00 H new ATOM 1044 N GLN A 67 -4.405 -8.785 -9.968 1.00 0.00 N ATOM 1045 CA GLN A 67 -2.975 -8.823 -10.222 1.00 0.00 C ATOM 1046 C GLN A 67 -2.676 -8.338 -11.642 1.00 0.00 C ATOM 1047 O GLN A 67 -1.539 -7.987 -11.956 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.414 -10.228 -9.994 1.00 0.00 C ATOM 1049 CG GLN A 67 -2.996 -10.850 -8.722 1.00 0.00 C ATOM 1050 CD GLN A 67 -1.947 -11.697 -7.997 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -1.299 -11.048 -7.035 1.00 0.00 O flip ATOM 1052 NE2 GLN A 67 -1.741 -12.862 -8.293 1.00 0.00 N flip ATOM 0 H GLN A 67 -4.822 -9.688 -9.744 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.483 -8.152 -9.518 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.646 -10.860 -10.851 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.328 -10.182 -9.917 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.355 -10.063 -8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.856 -11.469 -8.976 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.275 -13.300 -9.044 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.034 -13.399 -7.790 1.00 0.00 H new ATOM 1061 N VAL A 68 -3.716 -8.333 -12.463 1.00 0.00 N ATOM 1062 CA VAL A 68 -3.578 -7.897 -13.843 1.00 0.00 C ATOM 1063 C VAL A 68 -3.541 -6.368 -13.888 1.00 0.00 C ATOM 1064 O VAL A 68 -2.842 -5.785 -14.715 1.00 0.00 O ATOM 1065 CB VAL A 68 -4.701 -8.493 -14.694 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -4.504 -8.158 -16.174 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.806 -10.005 -14.483 1.00 0.00 C ATOM 0 H VAL A 68 -4.658 -8.624 -12.200 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.641 -8.258 -14.266 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.640 -8.044 -14.371 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.316 -8.593 -16.757 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.503 -7.076 -16.305 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.553 -8.566 -16.516 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.612 -10.403 -15.099 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.865 -10.478 -14.765 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.016 -10.212 -13.434 1.00 0.00 H new ATOM 1077 N LEU A 69 -4.302 -5.762 -12.988 1.00 0.00 N ATOM 1078 CA LEU A 69 -4.364 -4.313 -12.915 1.00 0.00 C ATOM 1079 C LEU A 69 -3.126 -3.789 -12.185 1.00 0.00 C ATOM 1080 O LEU A 69 -2.704 -2.655 -12.406 1.00 0.00 O ATOM 1081 CB LEU A 69 -5.685 -3.864 -12.285 1.00 0.00 C ATOM 1082 CG LEU A 69 -6.160 -2.457 -12.653 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -6.122 -2.244 -14.168 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -7.545 -2.176 -12.069 1.00 0.00 C ATOM 0 H LEU A 69 -4.881 -6.249 -12.303 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.351 -3.881 -13.916 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.461 -4.574 -12.571 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.585 -3.920 -11.201 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.472 -1.737 -12.210 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.464 -1.236 -14.402 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.101 -2.373 -14.528 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.773 -2.971 -14.654 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.859 -1.169 -12.345 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.259 -2.900 -12.462 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.505 -2.258 -10.983 1.00 0.00 H new ATOM 1096 N VAL A 70 -2.578 -4.641 -11.330 1.00 0.00 N ATOM 1097 CA VAL A 70 -1.396 -4.278 -10.567 1.00 0.00 C ATOM 1098 C VAL A 70 -0.295 -3.821 -11.525 1.00 0.00 C ATOM 1099 O VAL A 70 0.565 -3.024 -11.154 1.00 0.00 O ATOM 1100 CB VAL A 70 -0.968 -5.448 -9.679 1.00 0.00 C ATOM 1101 CG1 VAL A 70 0.533 -5.393 -9.386 1.00 0.00 C ATOM 1102 CG2 VAL A 70 -1.779 -5.477 -8.381 1.00 0.00 C ATOM 0 H VAL A 70 -2.931 -5.581 -11.149 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.613 -3.443 -9.901 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.170 -6.372 -10.221 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.811 -6.236 -8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.089 -5.444 -10.322 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.770 -4.461 -8.874 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.455 -6.318 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.623 -4.548 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.838 -5.586 -8.616 1.00 0.00 H new ATOM 1112 N LYS A 71 -0.358 -4.345 -12.741 1.00 0.00 N ATOM 1113 CA LYS A 71 0.624 -4.001 -13.755 1.00 0.00 C ATOM 1114 C LYS A 71 0.391 -2.560 -14.215 1.00 0.00 C ATOM 1115 O LYS A 71 1.334 -1.776 -14.311 1.00 0.00 O ATOM 1116 CB LYS A 71 0.597 -5.022 -14.895 1.00 0.00 C ATOM 1117 CG LYS A 71 1.998 -5.236 -15.472 1.00 0.00 C ATOM 1118 CD LYS A 71 2.243 -4.317 -16.670 1.00 0.00 C ATOM 1119 CE LYS A 71 2.801 -5.103 -17.858 1.00 0.00 C ATOM 1120 NZ LYS A 71 2.251 -4.581 -19.129 1.00 0.00 N ATOM 0 H LYS A 71 -1.074 -5.005 -13.046 1.00 0.00 H new ATOM 0 HA LYS A 71 1.631 -4.046 -13.341 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.201 -5.970 -14.530 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.075 -4.677 -15.681 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.746 -5.043 -14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.115 -6.276 -15.777 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.311 -3.831 -16.957 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.941 -3.528 -16.391 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.889 -5.033 -17.869 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.551 -6.159 -17.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.640 -5.126 -19.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.215 -4.670 -19.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.511 -3.580 -19.235 1.00 0.00 H new ATOM 1134 N LYS A 72 -0.869 -2.255 -14.487 1.00 0.00 N ATOM 1135 CA LYS A 72 -1.237 -0.923 -14.935 1.00 0.00 C ATOM 1136 C LYS A 72 -1.219 0.034 -13.741 1.00 0.00 C ATOM 1137 O LYS A 72 -1.316 1.248 -13.913 1.00 0.00 O ATOM 1138 CB LYS A 72 -2.575 -0.957 -15.676 1.00 0.00 C ATOM 1139 CG LYS A 72 -2.549 -1.986 -16.808 1.00 0.00 C ATOM 1140 CD LYS A 72 -3.272 -3.271 -16.398 1.00 0.00 C ATOM 1141 CE LYS A 72 -3.780 -4.029 -17.625 1.00 0.00 C ATOM 1142 NZ LYS A 72 -2.715 -4.897 -18.176 1.00 0.00 N ATOM 0 H LYS A 72 -1.648 -2.908 -14.406 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.510 -0.549 -15.656 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.376 -1.200 -14.977 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.795 0.030 -16.082 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.021 -1.567 -17.696 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.517 -2.214 -17.073 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.595 -3.907 -15.828 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.109 -3.029 -15.743 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.646 -4.633 -17.354 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.111 -3.322 -18.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.077 -5.404 -19.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.900 -4.313 -18.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.419 -5.584 -17.454 1.00 0.00 H new ATOM 1156 N ILE A 73 -1.095 -0.549 -12.558 1.00 0.00 N ATOM 1157 CA ILE A 73 -1.063 0.237 -11.336 1.00 0.00 C ATOM 1158 C ILE A 73 0.297 0.926 -11.213 1.00 0.00 C ATOM 1159 O ILE A 73 0.367 2.136 -11.001 1.00 0.00 O ATOM 1160 CB ILE A 73 -1.423 -0.633 -10.130 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -2.937 -0.827 -10.026 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -0.829 -0.058 -8.843 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -3.281 -1.921 -9.014 1.00 0.00 C ATOM 0 H ILE A 73 -1.015 -1.556 -12.419 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.817 1.023 -11.369 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.982 -1.619 -10.276 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.408 0.110 -9.728 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.342 -1.090 -11.003 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.100 -0.695 -8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.257 -0.015 -8.931 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.220 0.946 -8.679 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.363 -2.039 -8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.829 -2.862 -9.328 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.896 -1.643 -8.033 1.00 0.00 H new ATOM 1175 N SER A 74 1.345 0.127 -11.352 1.00 0.00 N ATOM 1176 CA SER A 74 2.699 0.645 -11.259 1.00 0.00 C ATOM 1177 C SER A 74 3.018 1.498 -12.488 1.00 0.00 C ATOM 1178 O SER A 74 3.657 2.543 -12.373 1.00 0.00 O ATOM 1179 CB SER A 74 3.715 -0.491 -11.124 1.00 0.00 C ATOM 1180 OG SER A 74 4.460 -0.400 -9.913 1.00 0.00 O ATOM 0 H SER A 74 1.283 -0.876 -11.528 1.00 0.00 H new ATOM 0 HA SER A 74 2.767 1.266 -10.366 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.195 -1.448 -11.159 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.399 -0.469 -11.973 1.00 0.00 H new ATOM 0 HG SER A 74 5.096 -1.144 -9.864 1.00 0.00 H new ATOM 1186 N GLN A 75 2.559 1.022 -13.636 1.00 0.00 N ATOM 1187 CA GLN A 75 2.787 1.729 -14.885 1.00 0.00 C ATOM 1188 C GLN A 75 1.966 3.019 -14.922 1.00 0.00 C ATOM 1189 O GLN A 75 2.482 4.077 -15.280 1.00 0.00 O ATOM 1190 CB GLN A 75 2.463 0.838 -16.086 1.00 0.00 C ATOM 1191 CG GLN A 75 3.483 1.039 -17.208 1.00 0.00 C ATOM 1192 CD GLN A 75 4.908 0.801 -16.704 1.00 0.00 C ATOM 1193 OE1 GLN A 75 5.781 1.646 -16.810 1.00 0.00 O ATOM 1194 NE2 GLN A 75 5.093 -0.394 -16.151 1.00 0.00 N ATOM 0 H GLN A 75 2.030 0.155 -13.728 1.00 0.00 H new ATOM 0 HA GLN A 75 3.843 1.992 -14.944 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.458 -0.207 -15.777 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.463 1.067 -16.454 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.265 0.356 -18.029 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.398 2.051 -17.604 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.318 -1.055 -16.094 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.010 -0.650 -15.784 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 -13.369 -13.752 -12.332 1.00 0.00 LA