USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 837 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 42 SER OG : rot 7:sc= 0.289 USER MOD Set 1.2: A 80 SER OG : rot -8:sc= -2.05! USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 16 THR OG1 : rot -130:sc= -1.07 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.424 F(o=-4!,f=-0.42) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -131:sc= 1.18 (180deg=0.883) USER MOD Single : A 57 MET CE :methyl -145:sc= -0.728 (180deg=-1.3) USER MOD Single : A 67 GLN : amide:sc= 0.29 K(o=0.29,f=-1.1) USER MOD Single : A 71 GLN :FLIP amide:sc= -2.67! C(o=-3.5!,f=-2.7!) USER MOD Single : A 79 GLN : amide:sc= 1.98 K(o=2,f=-10!) USER MOD Single : A 88 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 99 THR OG1 : rot 81:sc= -3! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.38) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 MET CE :methyl 168:sc= -0.503 (180deg=-0.912) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 10 12.149 1.804 7.734 1.00 0.00 N ATOM 126 CA LEU A 10 11.349 0.604 7.515 1.00 0.00 C ATOM 127 C LEU A 10 11.560 0.052 6.106 1.00 0.00 C ATOM 128 O LEU A 10 11.516 -1.159 5.899 1.00 0.00 O ATOM 129 CB LEU A 10 9.866 0.907 7.753 1.00 0.00 C ATOM 130 CG LEU A 10 8.927 -0.301 7.675 1.00 0.00 C ATOM 131 CD1 LEU A 10 9.265 -1.312 8.761 1.00 0.00 C ATOM 132 CD2 LEU A 10 7.475 0.143 7.786 1.00 0.00 C ATOM 0 HA LEU A 10 11.673 -0.156 8.226 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.760 1.365 8.736 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.542 1.646 7.020 1.00 0.00 H new ATOM 0 HG LEU A 10 9.064 -0.782 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.587 -2.163 8.690 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.292 -1.654 8.633 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.158 -0.844 9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.823 -0.728 7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.321 0.649 8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.240 0.826 6.970 1.00 0.00 H new ATOM 144 N TRP A 11 11.820 0.947 5.155 1.00 0.00 N ATOM 145 CA TRP A 11 12.027 0.580 3.753 1.00 0.00 C ATOM 146 C TRP A 11 13.114 -0.490 3.615 1.00 0.00 C ATOM 147 O TRP A 11 13.022 -1.376 2.765 1.00 0.00 O ATOM 148 CB TRP A 11 12.413 1.821 2.947 1.00 0.00 C ATOM 149 CG TRP A 11 11.625 1.994 1.680 1.00 0.00 C ATOM 150 CD1 TRP A 11 10.568 2.836 1.476 1.00 0.00 C ATOM 151 CD2 TRP A 11 11.835 1.312 0.440 1.00 0.00 C ATOM 152 NE1 TRP A 11 10.112 2.717 0.183 1.00 0.00 N ATOM 153 CE2 TRP A 11 10.871 1.786 -0.471 1.00 0.00 C ATOM 154 CE3 TRP A 11 12.744 0.346 0.013 1.00 0.00 C ATOM 155 CZ2 TRP A 11 10.797 1.323 -1.783 1.00 0.00 C ATOM 156 CZ3 TRP A 11 12.666 -0.111 -1.283 1.00 0.00 C ATOM 157 CH2 TRP A 11 11.700 0.376 -2.170 1.00 0.00 C ATOM 0 H TRP A 11 11.893 1.949 5.334 1.00 0.00 H new ATOM 0 HA TRP A 11 11.095 0.167 3.366 1.00 0.00 H new ATOM 0 HB2 TRP A 11 12.277 2.704 3.571 1.00 0.00 H new ATOM 0 HB3 TRP A 11 13.473 1.766 2.699 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.151 3.498 2.221 1.00 0.00 H new ATOM 0 HE1 TRP A 11 9.334 3.238 -0.222 1.00 0.00 H new ATOM 0 HE3 TRP A 11 13.496 -0.037 0.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.052 1.700 -2.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 13.365 -0.861 -1.622 1.00 0.00 H new ATOM 0 HH2 TRP A 11 11.668 -0.005 -3.180 1.00 0.00 H new ATOM 168 N GLN A 12 14.134 -0.407 4.466 1.00 0.00 N ATOM 169 CA GLN A 12 15.219 -1.387 4.472 1.00 0.00 C ATOM 170 C GLN A 12 14.683 -2.777 4.808 1.00 0.00 C ATOM 171 O GLN A 12 15.020 -3.765 4.154 1.00 0.00 O ATOM 172 CB GLN A 12 16.291 -0.979 5.487 1.00 0.00 C ATOM 173 CG GLN A 12 17.492 -1.913 5.528 1.00 0.00 C ATOM 174 CD GLN A 12 18.508 -1.514 6.581 1.00 0.00 C ATOM 175 OE1 GLN A 12 18.161 -0.946 7.618 1.00 0.00 O ATOM 176 NE2 GLN A 12 19.772 -1.809 6.323 1.00 0.00 N ATOM 0 H GLN A 12 14.232 0.331 5.163 1.00 0.00 H new ATOM 0 HA GLN A 12 15.664 -1.417 3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 12 16.635 0.028 5.252 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.841 -0.939 6.479 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.150 -2.929 5.725 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.973 -1.923 4.550 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.018 -2.280 5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 12 20.500 -1.565 6.995 1.00 0.00 H new ATOM 185 N ARG A 13 13.837 -2.843 5.827 1.00 0.00 N ATOM 186 CA ARG A 13 13.248 -4.105 6.255 1.00 0.00 C ATOM 187 C ARG A 13 12.176 -4.574 5.276 1.00 0.00 C ATOM 188 O ARG A 13 11.921 -5.771 5.153 1.00 0.00 O ATOM 189 CB ARG A 13 12.681 -3.984 7.669 1.00 0.00 C ATOM 190 CG ARG A 13 13.763 -3.820 8.724 1.00 0.00 C ATOM 191 CD ARG A 13 14.743 -4.987 8.686 1.00 0.00 C ATOM 192 NE ARG A 13 15.901 -4.775 9.553 1.00 0.00 N ATOM 193 CZ ARG A 13 17.010 -5.513 9.497 1.00 0.00 C ATOM 194 NH1 ARG A 13 17.117 -6.496 8.609 1.00 0.00 N ATOM 195 NH2 ARG A 13 18.016 -5.269 10.328 1.00 0.00 N ATOM 0 H ARG A 13 13.542 -2.034 6.374 1.00 0.00 H new ATOM 0 HA ARG A 13 14.037 -4.857 6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.005 -3.130 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.090 -4.871 7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.298 -2.885 8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.306 -3.756 9.712 1.00 0.00 H new ATOM 0 HD2 ARG A 13 14.229 -5.899 8.989 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.083 -5.138 7.662 1.00 0.00 H new ATOM 0 HE ARG A 13 15.858 -4.021 10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.349 -6.689 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.967 -7.058 8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.942 -4.515 11.011 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.863 -5.835 10.283 1.00 0.00 H new ATOM 209 N LEU A 14 11.549 -3.629 4.587 1.00 0.00 N ATOM 210 CA LEU A 14 10.571 -3.958 3.554 1.00 0.00 C ATOM 211 C LEU A 14 11.250 -4.724 2.422 1.00 0.00 C ATOM 212 O LEU A 14 10.688 -5.667 1.867 1.00 0.00 O ATOM 213 CB LEU A 14 9.903 -2.688 3.013 1.00 0.00 C ATOM 214 CG LEU A 14 9.209 -1.808 4.060 1.00 0.00 C ATOM 215 CD1 LEU A 14 8.478 -0.655 3.391 1.00 0.00 C ATOM 216 CD2 LEU A 14 8.252 -2.632 4.908 1.00 0.00 C ATOM 0 H LEU A 14 11.699 -2.629 4.723 1.00 0.00 H new ATOM 0 HA LEU A 14 9.797 -4.586 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.659 -2.089 2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.168 -2.977 2.262 1.00 0.00 H new ATOM 0 HG LEU A 14 9.973 -1.393 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.992 -0.042 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.191 -0.046 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.726 -1.049 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.771 -1.988 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.493 -3.081 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.805 -3.418 5.421 1.00 0.00 H new ATOM 228 N LEU A 15 12.476 -4.313 2.102 1.00 0.00 N ATOM 229 CA LEU A 15 13.293 -5.003 1.108 1.00 0.00 C ATOM 230 C LEU A 15 13.700 -6.391 1.593 1.00 0.00 C ATOM 231 O LEU A 15 13.987 -7.283 0.789 1.00 0.00 O ATOM 232 CB LEU A 15 14.547 -4.190 0.778 1.00 0.00 C ATOM 233 CG LEU A 15 14.317 -2.955 -0.087 1.00 0.00 C ATOM 234 CD1 LEU A 15 15.616 -2.183 -0.262 1.00 0.00 C ATOM 235 CD2 LEU A 15 13.745 -3.360 -1.439 1.00 0.00 C ATOM 0 H LEU A 15 12.927 -3.500 2.521 1.00 0.00 H new ATOM 0 HA LEU A 15 12.688 -5.111 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.013 -3.877 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 15 15.258 -4.841 0.270 1.00 0.00 H new ATOM 0 HG LEU A 15 13.598 -2.305 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.436 -1.304 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.987 -1.869 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.357 -2.821 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.585 -2.470 -2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.444 -4.025 -1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.796 -3.875 -1.293 1.00 0.00 H new ATOM 247 N THR A 16 13.742 -6.560 2.908 1.00 0.00 N ATOM 248 CA THR A 16 14.144 -7.821 3.508 1.00 0.00 C ATOM 249 C THR A 16 13.157 -8.936 3.149 1.00 0.00 C ATOM 250 O THR A 16 13.563 -10.043 2.790 1.00 0.00 O ATOM 251 CB THR A 16 14.255 -7.688 5.039 1.00 0.00 C ATOM 252 OG1 THR A 16 15.106 -6.579 5.367 1.00 0.00 O ATOM 253 CG2 THR A 16 14.815 -8.954 5.665 1.00 0.00 C ATOM 0 H THR A 16 13.500 -5.833 3.582 1.00 0.00 H new ATOM 0 HA THR A 16 15.124 -8.082 3.108 1.00 0.00 H new ATOM 0 HB THR A 16 13.254 -7.522 5.437 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.780 -6.865 6.018 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.881 -8.827 6.746 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.158 -9.794 5.437 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.808 -9.151 5.262 1.00 0.00 H new ATOM 261 N ARG A 17 11.861 -8.638 3.220 1.00 0.00 N ATOM 262 CA ARG A 17 10.839 -9.627 2.888 1.00 0.00 C ATOM 263 C ARG A 17 9.519 -8.950 2.543 1.00 0.00 C ATOM 264 O ARG A 17 9.047 -8.081 3.276 1.00 0.00 O ATOM 265 CB ARG A 17 10.645 -10.614 4.058 1.00 0.00 C ATOM 266 CG ARG A 17 9.786 -11.833 3.721 1.00 0.00 C ATOM 267 CD ARG A 17 8.291 -11.548 3.841 1.00 0.00 C ATOM 268 NE ARG A 17 7.525 -12.197 2.775 1.00 0.00 N ATOM 269 CZ ARG A 17 6.283 -12.668 2.904 1.00 0.00 C ATOM 270 NH1 ARG A 17 5.669 -12.644 4.081 1.00 0.00 N ATOM 271 NH2 ARG A 17 5.667 -13.180 1.845 1.00 0.00 N ATOM 0 H ARG A 17 11.497 -7.728 3.502 1.00 0.00 H new ATOM 0 HA ARG A 17 11.176 -10.183 2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.624 -10.956 4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.189 -10.083 4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.009 -12.161 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.050 -12.655 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.932 -11.895 4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.122 -10.472 3.806 1.00 0.00 H new ATOM 0 HE ARG A 17 7.975 -12.297 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.147 -12.263 4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.720 -13.007 4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.143 -13.211 0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.718 -13.543 1.933 1.00 0.00 H new ATOM 285 N GLY A 18 8.930 -9.356 1.426 1.00 0.00 N ATOM 286 CA GLY A 18 7.594 -8.905 1.090 1.00 0.00 C ATOM 287 C GLY A 18 7.565 -7.803 0.053 1.00 0.00 C ATOM 288 O GLY A 18 7.285 -8.055 -1.120 1.00 0.00 O ATOM 0 H GLY A 18 9.353 -9.989 0.747 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.016 -9.753 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.101 -8.552 1.996 1.00 0.00 H new ATOM 292 N TRP A 19 7.860 -6.586 0.485 1.00 0.00 N ATOM 293 CA TRP A 19 7.703 -5.410 -0.364 1.00 0.00 C ATOM 294 C TRP A 19 8.723 -5.398 -1.497 1.00 0.00 C ATOM 295 O TRP A 19 9.930 -5.505 -1.276 1.00 0.00 O ATOM 296 CB TRP A 19 7.828 -4.130 0.466 1.00 0.00 C ATOM 297 CG TRP A 19 6.760 -3.972 1.510 1.00 0.00 C ATOM 298 CD1 TRP A 19 6.662 -4.654 2.687 1.00 0.00 C ATOM 299 CD2 TRP A 19 5.654 -3.064 1.477 1.00 0.00 C ATOM 300 NE1 TRP A 19 5.558 -4.232 3.385 1.00 0.00 N ATOM 301 CE2 TRP A 19 4.924 -3.255 2.666 1.00 0.00 C ATOM 302 CE3 TRP A 19 5.208 -2.109 0.559 1.00 0.00 C ATOM 303 CZ2 TRP A 19 3.775 -2.526 2.959 1.00 0.00 C ATOM 304 CZ3 TRP A 19 4.067 -1.387 0.852 1.00 0.00 C ATOM 305 CH2 TRP A 19 3.362 -1.598 2.043 1.00 0.00 C ATOM 0 H TRP A 19 8.211 -6.385 1.421 1.00 0.00 H new ATOM 0 HA TRP A 19 6.708 -5.454 -0.806 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.803 -4.119 0.954 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.797 -3.271 -0.204 1.00 0.00 H new ATOM 0 HD1 TRP A 19 7.352 -5.415 3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 19 5.259 -4.589 4.292 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.745 -1.939 -0.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 3.229 -2.687 3.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.713 -0.647 0.150 1.00 0.00 H new ATOM 0 HH2 TRP A 19 2.474 -1.016 2.243 1.00 0.00 H new ATOM 316 N GLN A 20 8.222 -5.276 -2.716 1.00 0.00 N ATOM 317 CA GLN A 20 9.071 -5.191 -3.891 1.00 0.00 C ATOM 318 C GLN A 20 8.837 -3.862 -4.603 1.00 0.00 C ATOM 319 O GLN A 20 7.691 -3.470 -4.827 1.00 0.00 O ATOM 320 CB GLN A 20 8.781 -6.357 -4.847 1.00 0.00 C ATOM 321 CG GLN A 20 9.717 -6.420 -6.047 1.00 0.00 C ATOM 322 CD GLN A 20 11.081 -7.016 -5.724 1.00 0.00 C ATOM 323 OE1 GLN A 20 11.518 -6.913 -4.474 1.00 0.00 O flip ATOM 324 NE2 GLN A 20 11.735 -7.586 -6.596 1.00 0.00 N flip ATOM 0 H GLN A 20 7.223 -5.233 -2.917 1.00 0.00 H new ATOM 0 HA GLN A 20 10.113 -5.251 -3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.852 -7.294 -4.294 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.754 -6.275 -5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.248 -7.012 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.854 -5.414 -6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.372 -7.648 -7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.641 -7.996 -6.368 1.00 0.00 H new ATOM 333 N PRO A 21 9.914 -3.134 -4.933 1.00 0.00 N ATOM 334 CA PRO A 21 9.815 -1.882 -5.683 1.00 0.00 C ATOM 335 C PRO A 21 9.297 -2.110 -7.100 1.00 0.00 C ATOM 336 O PRO A 21 9.973 -2.722 -7.930 1.00 0.00 O ATOM 337 CB PRO A 21 11.252 -1.347 -5.713 1.00 0.00 C ATOM 338 CG PRO A 21 11.983 -2.118 -4.669 1.00 0.00 C ATOM 339 CD PRO A 21 11.305 -3.454 -4.589 1.00 0.00 C ATOM 0 HA PRO A 21 9.112 -1.188 -5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.704 -1.489 -6.695 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.278 -0.278 -5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.035 -2.230 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.947 -1.604 -3.708 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.739 -4.170 -5.286 1.00 0.00 H new ATOM 0 HD3 PRO A 21 11.385 -3.889 -3.593 1.00 0.00 H new ATOM 347 N VAL A 22 8.088 -1.631 -7.361 1.00 0.00 N ATOM 348 CA VAL A 22 7.463 -1.789 -8.668 1.00 0.00 C ATOM 349 C VAL A 22 7.971 -0.750 -9.660 1.00 0.00 C ATOM 350 O VAL A 22 8.825 0.075 -9.330 1.00 0.00 O ATOM 351 CB VAL A 22 5.923 -1.703 -8.586 1.00 0.00 C ATOM 352 CG1 VAL A 22 5.351 -2.985 -8.009 1.00 0.00 C ATOM 353 CG2 VAL A 22 5.487 -0.498 -7.760 1.00 0.00 C ATOM 0 H VAL A 22 7.518 -1.127 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 22 7.739 -2.783 -9.019 1.00 0.00 H new ATOM 0 HB VAL A 22 5.534 -1.575 -9.596 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.265 -2.908 -7.958 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.626 -3.825 -8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.751 -3.144 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.398 -0.460 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.886 -0.586 -6.750 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.864 0.415 -8.221 1.00 0.00 H new ATOM 363 N GLU A 23 7.425 -0.787 -10.866 1.00 0.00 N ATOM 364 CA GLU A 23 7.900 0.058 -11.956 1.00 0.00 C ATOM 365 C GLU A 23 6.725 0.581 -12.773 1.00 0.00 C ATOM 366 O GLU A 23 5.604 0.100 -12.629 1.00 0.00 O ATOM 367 CB GLU A 23 8.865 -0.721 -12.856 1.00 0.00 C ATOM 368 CG GLU A 23 10.137 -1.166 -12.148 1.00 0.00 C ATOM 369 CD GLU A 23 11.110 -1.873 -13.065 1.00 0.00 C ATOM 370 OE1 GLU A 23 11.011 -3.110 -13.208 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.994 -1.201 -13.634 1.00 0.00 O ATOM 0 H GLU A 23 6.647 -1.397 -11.118 1.00 0.00 H new ATOM 0 HA GLU A 23 8.433 0.907 -11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.352 -1.599 -13.249 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.134 -0.099 -13.710 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.626 -0.295 -11.711 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.874 -1.831 -11.325 1.00 0.00 H new ATOM 378 N ALA A 24 6.992 1.553 -13.633 1.00 0.00 N ATOM 379 CA ALA A 24 5.941 2.234 -14.385 1.00 0.00 C ATOM 380 C ALA A 24 5.351 1.359 -15.487 1.00 0.00 C ATOM 381 O ALA A 24 4.185 0.977 -15.431 1.00 0.00 O ATOM 382 CB ALA A 24 6.481 3.524 -14.977 1.00 0.00 C ATOM 0 H ALA A 24 7.934 1.892 -13.830 1.00 0.00 H new ATOM 0 HA ALA A 24 5.135 2.457 -13.686 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.692 4.026 -15.536 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.828 4.175 -14.175 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.312 3.298 -15.646 1.00 0.00 H new ATOM 388 N SER A 25 6.162 1.025 -16.478 1.00 0.00 N ATOM 389 CA SER A 25 5.683 0.300 -17.647 1.00 0.00 C ATOM 390 C SER A 25 5.555 -1.194 -17.352 1.00 0.00 C ATOM 391 O SER A 25 5.228 -1.987 -18.237 1.00 0.00 O ATOM 392 CB SER A 25 6.639 0.518 -18.822 1.00 0.00 C ATOM 393 OG SER A 25 6.903 1.899 -19.024 1.00 0.00 O ATOM 0 H SER A 25 7.158 1.244 -16.497 1.00 0.00 H new ATOM 0 HA SER A 25 4.696 0.683 -17.906 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.574 -0.010 -18.635 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.208 0.092 -19.728 1.00 0.00 H new ATOM 0 HG SER A 25 7.518 2.007 -19.780 1.00 0.00 H new ATOM 399 N THR A 26 5.818 -1.570 -16.112 1.00 0.00 N ATOM 400 CA THR A 26 5.769 -2.967 -15.718 1.00 0.00 C ATOM 401 C THR A 26 4.821 -3.159 -14.530 1.00 0.00 C ATOM 402 O THR A 26 4.742 -4.239 -13.946 1.00 0.00 O ATOM 403 CB THR A 26 7.186 -3.464 -15.354 1.00 0.00 C ATOM 404 OG1 THR A 26 8.149 -2.895 -16.257 1.00 0.00 O ATOM 405 CG2 THR A 26 7.274 -4.983 -15.429 1.00 0.00 C ATOM 0 H THR A 26 6.068 -0.927 -15.361 1.00 0.00 H new ATOM 0 HA THR A 26 5.392 -3.551 -16.557 1.00 0.00 H new ATOM 0 HB THR A 26 7.398 -3.151 -14.332 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.046 -3.212 -16.021 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.283 -5.302 -15.168 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.562 -5.424 -14.731 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.040 -5.311 -16.442 1.00 0.00 H new ATOM 413 N VAL A 27 4.083 -2.104 -14.188 1.00 0.00 N ATOM 414 CA VAL A 27 3.179 -2.151 -13.043 1.00 0.00 C ATOM 415 C VAL A 27 2.004 -3.091 -13.319 1.00 0.00 C ATOM 416 O VAL A 27 1.618 -3.886 -12.461 1.00 0.00 O ATOM 417 CB VAL A 27 2.659 -0.740 -12.648 1.00 0.00 C ATOM 418 CG1 VAL A 27 1.811 -0.118 -13.753 1.00 0.00 C ATOM 419 CG2 VAL A 27 1.881 -0.798 -11.344 1.00 0.00 C ATOM 0 H VAL A 27 4.094 -1.213 -14.684 1.00 0.00 H new ATOM 0 HA VAL A 27 3.752 -2.537 -12.200 1.00 0.00 H new ATOM 0 HB VAL A 27 3.530 -0.101 -12.505 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.467 0.867 -13.437 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.409 -0.020 -14.659 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.950 -0.756 -13.953 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.527 0.200 -11.087 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.028 -1.467 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.529 -1.169 -10.550 1.00 0.00 H new ATOM 429 N ASP A 28 1.472 -3.033 -14.536 1.00 0.00 N ATOM 430 CA ASP A 28 0.333 -3.859 -14.916 1.00 0.00 C ATOM 431 C ASP A 28 0.785 -5.284 -15.189 1.00 0.00 C ATOM 432 O ASP A 28 0.016 -6.229 -15.027 1.00 0.00 O ATOM 433 CB ASP A 28 -0.391 -3.272 -16.137 1.00 0.00 C ATOM 434 CG ASP A 28 0.537 -3.033 -17.311 1.00 0.00 C ATOM 435 OD1 ASP A 28 1.413 -2.147 -17.202 1.00 0.00 O ATOM 436 OD2 ASP A 28 0.395 -3.717 -18.341 1.00 0.00 O ATOM 0 H ASP A 28 1.813 -2.421 -15.277 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.374 -3.872 -14.086 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.188 -3.950 -16.442 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.864 -2.331 -15.856 1.00 0.00 H new ATOM 441 N ASP A 29 2.048 -5.438 -15.572 1.00 0.00 N ATOM 442 CA ASP A 29 2.615 -6.762 -15.787 1.00 0.00 C ATOM 443 C ASP A 29 2.726 -7.504 -14.462 1.00 0.00 C ATOM 444 O ASP A 29 2.457 -8.704 -14.385 1.00 0.00 O ATOM 445 CB ASP A 29 3.991 -6.672 -16.448 1.00 0.00 C ATOM 446 CG ASP A 29 4.566 -8.042 -16.758 1.00 0.00 C ATOM 447 OD1 ASP A 29 4.202 -8.619 -17.804 1.00 0.00 O ATOM 448 OD2 ASP A 29 5.358 -8.564 -15.943 1.00 0.00 O ATOM 0 H ASP A 29 2.694 -4.667 -15.739 1.00 0.00 H new ATOM 0 HA ASP A 29 1.950 -7.310 -16.455 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.913 -6.095 -17.369 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.674 -6.133 -15.791 1.00 0.00 H new ATOM 453 N TRP A 30 3.112 -6.776 -13.415 1.00 0.00 N ATOM 454 CA TRP A 30 3.196 -7.347 -12.077 1.00 0.00 C ATOM 455 C TRP A 30 1.804 -7.703 -11.564 1.00 0.00 C ATOM 456 O TRP A 30 1.602 -8.772 -10.993 1.00 0.00 O ATOM 457 CB TRP A 30 3.884 -6.374 -11.109 1.00 0.00 C ATOM 458 CG TRP A 30 4.035 -6.922 -9.715 1.00 0.00 C ATOM 459 CD1 TRP A 30 4.915 -7.882 -9.301 1.00 0.00 C ATOM 460 CD2 TRP A 30 3.286 -6.541 -8.554 1.00 0.00 C ATOM 461 NE1 TRP A 30 4.752 -8.121 -7.956 1.00 0.00 N ATOM 462 CE2 TRP A 30 3.762 -7.310 -7.476 1.00 0.00 C ATOM 463 CE3 TRP A 30 2.259 -5.625 -8.318 1.00 0.00 C ATOM 464 CZ2 TRP A 30 3.247 -7.193 -6.187 1.00 0.00 C ATOM 465 CZ3 TRP A 30 1.748 -5.510 -7.037 1.00 0.00 C ATOM 466 CH2 TRP A 30 2.243 -6.288 -5.988 1.00 0.00 C ATOM 0 H TRP A 30 3.371 -5.791 -13.470 1.00 0.00 H new ATOM 0 HA TRP A 30 3.795 -8.256 -12.133 1.00 0.00 H new ATOM 0 HB2 TRP A 30 4.869 -6.120 -11.500 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.310 -5.448 -11.067 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.633 -8.380 -9.936 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.284 -8.795 -7.406 1.00 0.00 H new ATOM 0 HE3 TRP A 30 1.870 -5.017 -9.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.627 -7.795 -5.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.952 -4.806 -6.845 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.824 -6.172 -5.000 1.00 0.00 H new ATOM 477 N ILE A 31 0.844 -6.810 -11.785 1.00 0.00 N ATOM 478 CA ILE A 31 -0.539 -7.051 -11.376 1.00 0.00 C ATOM 479 C ILE A 31 -1.105 -8.279 -12.077 1.00 0.00 C ATOM 480 O ILE A 31 -1.750 -9.118 -11.456 1.00 0.00 O ATOM 481 CB ILE A 31 -1.438 -5.831 -11.666 1.00 0.00 C ATOM 482 CG1 ILE A 31 -0.950 -4.623 -10.874 1.00 0.00 C ATOM 483 CG2 ILE A 31 -2.892 -6.135 -11.330 1.00 0.00 C ATOM 484 CD1 ILE A 31 -0.861 -4.879 -9.387 1.00 0.00 C ATOM 0 H ILE A 31 0.997 -5.912 -12.245 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.529 -7.224 -10.300 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.378 -5.604 -12.730 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.032 -4.327 -11.244 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.624 -3.785 -11.052 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.505 -5.260 -11.543 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.237 -6.975 -11.933 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.976 -6.388 -10.273 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.508 -3.979 -8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.846 -5.146 -9.004 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.165 -5.697 -9.200 1.00 0.00 H new ATOM 496 N LYS A 32 -0.845 -8.383 -13.370 1.00 0.00 N ATOM 497 CA LYS A 32 -1.265 -9.537 -14.153 1.00 0.00 C ATOM 498 C LYS A 32 -0.515 -10.800 -13.709 1.00 0.00 C ATOM 499 O LYS A 32 -0.995 -11.918 -13.888 1.00 0.00 O ATOM 500 CB LYS A 32 -1.039 -9.230 -15.644 1.00 0.00 C ATOM 501 CG LYS A 32 -1.137 -10.428 -16.583 1.00 0.00 C ATOM 502 CD LYS A 32 0.236 -11.017 -16.886 1.00 0.00 C ATOM 503 CE LYS A 32 1.134 -10.010 -17.592 1.00 0.00 C ATOM 504 NZ LYS A 32 2.481 -10.569 -17.878 1.00 0.00 N ATOM 0 H LYS A 32 -0.340 -7.676 -13.905 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.325 -9.731 -13.990 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.769 -8.484 -15.958 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.053 -8.780 -15.759 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.770 -11.193 -16.133 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.616 -10.124 -17.513 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.708 -11.338 -15.957 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.123 -11.904 -17.509 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.665 -9.698 -18.525 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.235 -9.119 -16.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.210 -9.898 -17.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.597 -11.471 -17.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.580 -10.730 -18.901 1.00 0.00 H new ATOM 518 N ARG A 33 0.655 -10.604 -13.114 1.00 0.00 N ATOM 519 CA ARG A 33 1.492 -11.711 -12.664 1.00 0.00 C ATOM 520 C ARG A 33 1.011 -12.250 -11.322 1.00 0.00 C ATOM 521 O ARG A 33 0.910 -13.458 -11.120 1.00 0.00 O ATOM 522 CB ARG A 33 2.926 -11.219 -12.515 1.00 0.00 C ATOM 523 CG ARG A 33 3.971 -12.319 -12.445 1.00 0.00 C ATOM 524 CD ARG A 33 5.368 -11.724 -12.399 1.00 0.00 C ATOM 525 NE ARG A 33 6.412 -12.746 -12.322 1.00 0.00 N ATOM 526 CZ ARG A 33 7.694 -12.516 -12.609 1.00 0.00 C ATOM 527 NH1 ARG A 33 8.076 -11.314 -13.026 1.00 0.00 N ATOM 528 NH2 ARG A 33 8.589 -13.488 -12.493 1.00 0.00 N ATOM 0 H ARG A 33 1.049 -9.681 -12.930 1.00 0.00 H new ATOM 0 HA ARG A 33 1.435 -12.512 -13.401 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.161 -10.567 -13.356 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.996 -10.613 -11.612 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.802 -12.934 -11.561 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.877 -12.974 -13.311 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.528 -11.113 -13.287 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.449 -11.062 -11.537 1.00 0.00 H new ATOM 0 HE ARG A 33 6.145 -13.687 -12.033 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.389 -10.567 -13.127 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.056 -11.138 -13.245 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.298 -14.415 -12.183 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.569 -13.308 -12.713 1.00 0.00 H new ATOM 542 N VAL A 34 0.727 -11.336 -10.409 1.00 0.00 N ATOM 543 CA VAL A 34 0.343 -11.705 -9.052 1.00 0.00 C ATOM 544 C VAL A 34 -1.169 -11.882 -8.908 1.00 0.00 C ATOM 545 O VAL A 34 -1.630 -12.696 -8.107 1.00 0.00 O ATOM 546 CB VAL A 34 0.843 -10.669 -8.020 1.00 0.00 C ATOM 547 CG1 VAL A 34 2.359 -10.572 -8.063 1.00 0.00 C ATOM 548 CG2 VAL A 34 0.211 -9.300 -8.239 1.00 0.00 C ATOM 0 H VAL A 34 0.755 -10.331 -10.581 1.00 0.00 H new ATOM 0 HA VAL A 34 0.820 -12.664 -8.851 1.00 0.00 H new ATOM 0 HB VAL A 34 0.538 -11.013 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.698 -9.839 -7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.793 -11.544 -7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.676 -10.263 -9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 34 0.589 -8.601 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.463 -8.938 -9.236 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.872 -9.380 -8.145 1.00 0.00 H new ATOM 558 N GLY A 35 -1.931 -11.107 -9.665 1.00 0.00 N ATOM 559 CA GLY A 35 -3.376 -11.202 -9.635 1.00 0.00 C ATOM 560 C GLY A 35 -3.987 -10.262 -8.621 1.00 0.00 C ATOM 561 O GLY A 35 -4.811 -9.414 -8.959 1.00 0.00 O ATOM 0 H GLY A 35 -1.568 -10.404 -10.309 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.774 -10.976 -10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.667 -12.226 -9.401 1.00 0.00 H new ATOM 565 N ASP A 36 -3.562 -10.400 -7.380 1.00 0.00 N ATOM 566 CA ASP A 36 -4.117 -9.616 -6.292 1.00 0.00 C ATOM 567 C ASP A 36 -3.000 -9.005 -5.453 1.00 0.00 C ATOM 568 O ASP A 36 -2.202 -9.721 -4.835 1.00 0.00 O ATOM 569 CB ASP A 36 -5.018 -10.491 -5.420 1.00 0.00 C ATOM 570 CG ASP A 36 -6.239 -11.010 -6.164 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.135 -12.067 -6.818 1.00 0.00 O ATOM 572 OD2 ASP A 36 -7.307 -10.365 -6.103 1.00 0.00 O ATOM 0 H ASP A 36 -2.830 -11.052 -7.098 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.714 -8.807 -6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.441 -11.336 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.344 -9.917 -4.553 1.00 0.00 H new ATOM 577 N GLY A 37 -2.943 -7.681 -5.445 1.00 0.00 N ATOM 578 CA GLY A 37 -1.903 -6.975 -4.723 1.00 0.00 C ATOM 579 C GLY A 37 -2.181 -5.486 -4.637 1.00 0.00 C ATOM 580 O GLY A 37 -3.291 -5.040 -4.936 1.00 0.00 O ATOM 0 H GLY A 37 -3.606 -7.077 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.817 -7.386 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.945 -7.137 -5.217 1.00 0.00 H new ATOM 584 N VAL A 38 -1.182 -4.708 -4.235 1.00 0.00 N ATOM 585 CA VAL A 38 -1.363 -3.273 -4.073 1.00 0.00 C ATOM 586 C VAL A 38 -0.067 -2.500 -4.304 1.00 0.00 C ATOM 587 O VAL A 38 1.016 -2.941 -3.922 1.00 0.00 O ATOM 588 CB VAL A 38 -1.926 -2.940 -2.670 1.00 0.00 C ATOM 589 CG1 VAL A 38 -1.118 -3.626 -1.578 1.00 0.00 C ATOM 590 CG2 VAL A 38 -1.964 -1.440 -2.425 1.00 0.00 C ATOM 0 H VAL A 38 -0.245 -5.046 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.081 -2.961 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.948 -3.317 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.536 -3.374 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.156 -4.706 -1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.082 -3.290 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.365 -1.244 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.955 -1.034 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.600 -0.965 -3.172 1.00 0.00 H new ATOM 600 N ILE A 39 -0.203 -1.350 -4.943 1.00 0.00 N ATOM 601 CA ILE A 39 0.912 -0.433 -5.143 1.00 0.00 C ATOM 602 C ILE A 39 0.681 0.801 -4.276 1.00 0.00 C ATOM 603 O ILE A 39 -0.369 1.441 -4.368 1.00 0.00 O ATOM 604 CB ILE A 39 1.080 0.019 -6.630 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.646 -1.096 -7.525 1.00 0.00 C ATOM 606 CG2 ILE A 39 1.981 1.242 -6.717 1.00 0.00 C ATOM 607 CD1 ILE A 39 0.722 -2.273 -7.709 1.00 0.00 C ATOM 0 H ILE A 39 -1.086 -1.024 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 39 1.824 -0.962 -4.866 1.00 0.00 H new ATOM 0 HB ILE A 39 0.083 0.265 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.880 -0.677 -8.503 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.584 -1.449 -7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.087 1.543 -7.759 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.541 2.060 -6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.962 1.001 -6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.198 -3.012 -8.353 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.507 -2.722 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.208 -1.937 -8.168 1.00 0.00 H new ATOM 619 N LEU A 40 1.629 1.105 -3.407 1.00 0.00 N ATOM 620 CA LEU A 40 1.538 2.300 -2.584 1.00 0.00 C ATOM 621 C LEU A 40 2.345 3.421 -3.235 1.00 0.00 C ATOM 622 O LEU A 40 3.553 3.292 -3.446 1.00 0.00 O ATOM 623 CB LEU A 40 2.029 2.002 -1.159 1.00 0.00 C ATOM 624 CG LEU A 40 1.640 3.027 -0.077 1.00 0.00 C ATOM 625 CD1 LEU A 40 2.726 4.071 0.111 1.00 0.00 C ATOM 626 CD2 LEU A 40 0.310 3.696 -0.417 1.00 0.00 C ATOM 0 H LEU A 40 2.467 0.545 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 40 0.499 2.621 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.644 1.027 -0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.116 1.923 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 40 1.526 2.487 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.420 4.779 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.652 3.582 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.886 4.602 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.055 4.416 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.396 4.211 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.472 2.939 -0.481 1.00 0.00 H new ATOM 638 N LEU A 41 1.662 4.504 -3.577 1.00 0.00 N ATOM 639 CA LEU A 41 2.277 5.582 -4.340 1.00 0.00 C ATOM 640 C LEU A 41 2.701 6.745 -3.449 1.00 0.00 C ATOM 641 O LEU A 41 2.076 7.009 -2.419 1.00 0.00 O ATOM 642 CB LEU A 41 1.317 6.107 -5.419 1.00 0.00 C ATOM 643 CG LEU A 41 0.965 5.129 -6.546 1.00 0.00 C ATOM 644 CD1 LEU A 41 -0.084 4.130 -6.095 1.00 0.00 C ATOM 645 CD2 LEU A 41 0.480 5.881 -7.774 1.00 0.00 C ATOM 0 H LEU A 41 0.683 4.660 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 41 3.166 5.161 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.392 6.417 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.757 6.999 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 41 1.870 4.579 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.314 3.449 -6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.296 3.561 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.989 4.661 -5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.235 5.170 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.408 6.460 -7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.264 6.553 -8.122 1.00 0.00 H new ATOM 657 N SER A 42 3.762 7.436 -3.882 1.00 0.00 N ATOM 658 CA SER A 42 4.242 8.667 -3.249 1.00 0.00 C ATOM 659 C SER A 42 4.933 8.416 -1.909 1.00 0.00 C ATOM 660 O SER A 42 4.488 7.615 -1.089 1.00 0.00 O ATOM 661 CB SER A 42 3.095 9.666 -3.091 1.00 0.00 C ATOM 662 OG SER A 42 2.488 9.925 -4.347 1.00 0.00 O ATOM 0 H SER A 42 4.316 7.152 -4.690 1.00 0.00 H new ATOM 0 HA SER A 42 4.997 9.091 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.354 9.271 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.470 10.595 -2.663 1.00 0.00 H new ATOM 0 HG SER A 42 2.864 9.323 -5.022 1.00 0.00 H new ATOM 863 N VAL A 56 3.791 4.456 4.698 1.00 0.00 N ATOM 864 CA VAL A 56 3.062 3.255 4.344 1.00 0.00 C ATOM 865 C VAL A 56 1.988 2.928 5.370 1.00 0.00 C ATOM 866 O VAL A 56 2.267 2.469 6.476 1.00 0.00 O ATOM 867 CB VAL A 56 3.987 2.036 4.148 1.00 0.00 C ATOM 868 CG1 VAL A 56 4.766 2.162 2.846 1.00 0.00 C ATOM 869 CG2 VAL A 56 4.943 1.867 5.326 1.00 0.00 C ATOM 0 HA VAL A 56 2.583 3.468 3.388 1.00 0.00 H new ATOM 0 HB VAL A 56 3.359 1.147 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.413 1.294 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.070 2.216 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.373 3.067 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.580 0.999 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.562 2.759 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.370 1.722 6.242 1.00 0.00 H new ATOM 879 N MET A 57 0.750 3.169 4.986 1.00 0.00 N ATOM 880 CA MET A 57 -0.390 2.886 5.850 1.00 0.00 C ATOM 881 C MET A 57 -0.785 1.422 5.715 1.00 0.00 C ATOM 882 O MET A 57 -1.417 0.841 6.599 1.00 0.00 O ATOM 883 CB MET A 57 -1.565 3.795 5.477 1.00 0.00 C ATOM 884 CG MET A 57 -2.774 3.648 6.389 1.00 0.00 C ATOM 885 SD MET A 57 -4.136 4.724 5.910 1.00 0.00 S ATOM 886 CE MET A 57 -3.354 6.330 6.033 1.00 0.00 C ATOM 0 H MET A 57 0.502 3.562 4.078 1.00 0.00 H new ATOM 0 HA MET A 57 -0.116 3.081 6.887 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.230 4.832 5.499 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.867 3.579 4.452 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.112 2.612 6.374 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.481 3.873 7.414 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.081 7.063 6.383 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.524 6.278 6.738 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.980 6.629 5.054 1.00 0.00 H new ATOM 896 N ILE A 58 -0.371 0.831 4.602 1.00 0.00 N ATOM 897 CA ILE A 58 -0.701 -0.551 4.281 1.00 0.00 C ATOM 898 C ILE A 58 -0.098 -1.512 5.306 1.00 0.00 C ATOM 899 O ILE A 58 -0.652 -2.576 5.569 1.00 0.00 O ATOM 900 CB ILE A 58 -0.227 -0.931 2.849 1.00 0.00 C ATOM 901 CG1 ILE A 58 -1.088 -0.241 1.784 1.00 0.00 C ATOM 902 CG2 ILE A 58 -0.263 -2.439 2.637 1.00 0.00 C ATOM 903 CD1 ILE A 58 -0.900 1.258 1.702 1.00 0.00 C ATOM 0 H ILE A 58 0.202 1.295 3.897 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.787 -0.640 4.316 1.00 0.00 H new ATOM 0 HB ILE A 58 0.803 -0.589 2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.860 -0.677 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.137 -0.452 1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.074 -2.673 1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.393 -2.924 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.282 -2.801 2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.546 1.664 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.158 1.710 2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.140 1.482 1.463 1.00 0.00 H new ATOM 915 N ALA A 59 1.021 -1.111 5.900 1.00 0.00 N ATOM 916 CA ALA A 59 1.710 -1.937 6.891 1.00 0.00 C ATOM 917 C ALA A 59 0.769 -2.339 8.027 1.00 0.00 C ATOM 918 O ALA A 59 0.682 -3.515 8.390 1.00 0.00 O ATOM 919 CB ALA A 59 2.920 -1.195 7.443 1.00 0.00 C ATOM 0 H ALA A 59 1.473 -0.216 5.713 1.00 0.00 H new ATOM 0 HA ALA A 59 2.047 -2.848 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.425 -1.820 8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.608 -0.965 6.630 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.594 -0.268 7.915 1.00 0.00 H new ATOM 925 N GLU A 60 0.067 -1.359 8.579 1.00 0.00 N ATOM 926 CA GLU A 60 -0.883 -1.607 9.656 1.00 0.00 C ATOM 927 C GLU A 60 -2.159 -2.240 9.096 1.00 0.00 C ATOM 928 O GLU A 60 -2.669 -3.225 9.630 1.00 0.00 O ATOM 929 CB GLU A 60 -1.219 -0.295 10.373 1.00 0.00 C ATOM 930 CG GLU A 60 -1.851 -0.489 11.742 1.00 0.00 C ATOM 931 CD GLU A 60 -0.863 -0.989 12.776 1.00 0.00 C ATOM 932 OE1 GLU A 60 -0.631 -2.212 12.848 1.00 0.00 O ATOM 933 OE2 GLU A 60 -0.317 -0.157 13.534 1.00 0.00 O ATOM 0 H GLU A 60 0.138 -0.381 8.298 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.433 -2.295 10.371 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.307 0.292 10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.898 0.286 9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.276 0.457 12.079 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.675 -1.198 11.660 1.00 0.00 H new ATOM 940 N LEU A 61 -2.642 -1.666 7.995 1.00 0.00 N ATOM 941 CA LEU A 61 -3.870 -2.108 7.331 1.00 0.00 C ATOM 942 C LEU A 61 -3.847 -3.602 7.017 1.00 0.00 C ATOM 943 O LEU A 61 -4.832 -4.302 7.234 1.00 0.00 O ATOM 944 CB LEU A 61 -4.053 -1.324 6.027 1.00 0.00 C ATOM 945 CG LEU A 61 -5.134 -0.239 6.037 1.00 0.00 C ATOM 946 CD1 LEU A 61 -6.515 -0.860 6.118 1.00 0.00 C ATOM 947 CD2 LEU A 61 -4.916 0.724 7.193 1.00 0.00 C ATOM 0 H LEU A 61 -2.190 -0.876 7.535 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.700 -1.921 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.102 -0.858 5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.285 -2.032 5.231 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.063 0.321 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.268 -0.072 6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.674 -1.508 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.597 -1.447 7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.694 1.487 7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.957 0.177 8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.940 1.199 7.092 1.00 0.00 H new ATOM 959 N LEU A 62 -2.716 -4.067 6.507 1.00 0.00 N ATOM 960 CA LEU A 62 -2.552 -5.453 6.069 1.00 0.00 C ATOM 961 C LEU A 62 -3.036 -6.454 7.121 1.00 0.00 C ATOM 962 O LEU A 62 -3.828 -7.345 6.818 1.00 0.00 O ATOM 963 CB LEU A 62 -1.080 -5.724 5.737 1.00 0.00 C ATOM 964 CG LEU A 62 -0.769 -7.129 5.216 1.00 0.00 C ATOM 965 CD1 LEU A 62 -1.459 -7.368 3.880 1.00 0.00 C ATOM 966 CD2 LEU A 62 0.735 -7.322 5.084 1.00 0.00 C ATOM 0 H LEU A 62 -1.881 -3.495 6.383 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.167 -5.588 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.755 -4.999 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.485 -5.548 6.633 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.150 -7.857 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.227 -8.372 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.537 -7.268 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.108 -6.636 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.942 -8.326 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.136 -6.587 4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.205 -7.192 6.059 1.00 0.00 H new ATOM 978 N ARG A 63 -2.587 -6.291 8.360 1.00 0.00 N ATOM 979 CA ARG A 63 -2.867 -7.277 9.400 1.00 0.00 C ATOM 980 C ARG A 63 -4.185 -6.994 10.121 1.00 0.00 C ATOM 981 O ARG A 63 -4.546 -7.704 11.062 1.00 0.00 O ATOM 982 CB ARG A 63 -1.716 -7.346 10.405 1.00 0.00 C ATOM 983 CG ARG A 63 -1.336 -6.005 11.014 1.00 0.00 C ATOM 984 CD ARG A 63 -0.220 -6.169 12.031 1.00 0.00 C ATOM 985 NE ARG A 63 0.293 -4.890 12.505 1.00 0.00 N ATOM 986 CZ ARG A 63 1.270 -4.773 13.399 1.00 0.00 C ATOM 987 NH1 ARG A 63 1.744 -5.851 14.016 1.00 0.00 N ATOM 988 NH2 ARG A 63 1.747 -3.577 13.699 1.00 0.00 N ATOM 0 H ARG A 63 -2.032 -5.493 8.669 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.964 -8.244 8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.990 -8.032 11.207 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.841 -7.768 9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.019 -5.320 10.227 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.207 -5.558 11.493 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.587 -6.747 12.879 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.594 -6.741 11.584 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.121 -4.037 12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.358 -6.771 13.804 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.494 -5.758 14.701 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.365 -2.747 13.245 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.497 -3.484 14.385 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.902 -5.971 9.678 1.00 0.00 N ATOM 1003 CA GLU A 64 -6.198 -5.653 10.259 1.00 0.00 C ATOM 1004 C GLU A 64 -7.281 -5.691 9.177 1.00 0.00 C ATOM 1005 O GLU A 64 -8.448 -5.383 9.429 1.00 0.00 O ATOM 1006 CB GLU A 64 -6.153 -4.281 10.947 1.00 0.00 C ATOM 1007 CG GLU A 64 -7.375 -3.980 11.809 1.00 0.00 C ATOM 1008 CD GLU A 64 -7.548 -4.960 12.951 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -7.979 -6.108 12.704 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -7.268 -4.586 14.108 1.00 0.00 O ATOM 0 H GLU A 64 -4.610 -5.351 8.923 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.442 -6.400 11.014 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.260 -4.227 11.569 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.058 -3.507 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.289 -2.971 12.213 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.268 -3.998 11.184 1.00 0.00 H new ATOM 1017 N PHE A 65 -6.885 -6.090 7.972 1.00 0.00 N ATOM 1018 CA PHE A 65 -7.813 -6.170 6.855 1.00 0.00 C ATOM 1019 C PHE A 65 -8.622 -7.459 6.949 1.00 0.00 C ATOM 1020 O PHE A 65 -8.076 -8.556 6.825 1.00 0.00 O ATOM 1021 CB PHE A 65 -7.061 -6.106 5.518 1.00 0.00 C ATOM 1022 CG PHE A 65 -7.793 -5.328 4.463 1.00 0.00 C ATOM 1023 CD1 PHE A 65 -8.077 -3.986 4.655 1.00 0.00 C ATOM 1024 CD2 PHE A 65 -8.192 -5.932 3.282 1.00 0.00 C ATOM 1025 CE1 PHE A 65 -8.747 -3.260 3.691 1.00 0.00 C ATOM 1026 CE2 PHE A 65 -8.863 -5.211 2.313 1.00 0.00 C ATOM 1027 CZ PHE A 65 -9.141 -3.873 2.519 1.00 0.00 C ATOM 0 H PHE A 65 -5.928 -6.362 7.747 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.492 -5.319 6.902 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.083 -5.654 5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.887 -7.120 5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.770 -3.502 5.570 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.976 -6.977 3.117 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.962 -2.214 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.170 -5.692 1.396 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.666 -3.308 1.763 1.00 0.00 H new ATOM 1037 N PRO A 66 -9.939 -7.337 7.184 1.00 0.00 N ATOM 1038 CA PRO A 66 -10.821 -8.492 7.390 1.00 0.00 C ATOM 1039 C PRO A 66 -11.083 -9.270 6.102 1.00 0.00 C ATOM 1040 O PRO A 66 -11.613 -10.379 6.131 1.00 0.00 O ATOM 1041 CB PRO A 66 -12.112 -7.857 7.908 1.00 0.00 C ATOM 1042 CG PRO A 66 -12.113 -6.483 7.336 1.00 0.00 C ATOM 1043 CD PRO A 66 -10.671 -6.059 7.279 1.00 0.00 C ATOM 0 HA PRO A 66 -10.383 -9.223 8.070 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.988 -8.421 7.586 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.132 -7.832 8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.562 -6.474 6.343 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.696 -5.802 7.956 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.475 -5.419 6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.383 -5.496 8.167 1.00 0.00 H new ATOM 1051 N GLN A 67 -10.708 -8.679 4.976 1.00 0.00 N ATOM 1052 CA GLN A 67 -10.896 -9.311 3.680 1.00 0.00 C ATOM 1053 C GLN A 67 -9.897 -10.440 3.470 1.00 0.00 C ATOM 1054 O GLN A 67 -10.268 -11.616 3.442 1.00 0.00 O ATOM 1055 CB GLN A 67 -10.766 -8.275 2.561 1.00 0.00 C ATOM 1056 CG GLN A 67 -12.049 -7.514 2.279 1.00 0.00 C ATOM 1057 CD GLN A 67 -13.122 -8.400 1.677 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -12.825 -9.365 0.975 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -14.373 -8.070 1.940 1.00 0.00 N ATOM 0 H GLN A 67 -10.270 -7.759 4.935 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.899 -9.737 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.983 -7.564 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.445 -8.778 1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.420 -7.076 3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.838 -6.689 1.598 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.574 -7.261 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.138 -8.624 1.556 1.00 0.00 H new ATOM 1068 N PHE A 68 -8.625 -10.087 3.350 1.00 0.00 N ATOM 1069 CA PHE A 68 -7.599 -11.055 3.002 1.00 0.00 C ATOM 1070 C PHE A 68 -6.202 -10.495 3.223 1.00 0.00 C ATOM 1071 O PHE A 68 -6.036 -9.359 3.676 1.00 0.00 O ATOM 1072 CB PHE A 68 -7.752 -11.480 1.533 1.00 0.00 C ATOM 1073 CG PHE A 68 -8.029 -10.339 0.579 1.00 0.00 C ATOM 1074 CD1 PHE A 68 -7.248 -9.186 0.581 1.00 0.00 C ATOM 1075 CD2 PHE A 68 -9.076 -10.427 -0.326 1.00 0.00 C ATOM 1076 CE1 PHE A 68 -7.512 -8.153 -0.299 1.00 0.00 C ATOM 1077 CE2 PHE A 68 -9.342 -9.394 -1.207 1.00 0.00 C ATOM 1078 CZ PHE A 68 -8.559 -8.256 -1.193 1.00 0.00 C ATOM 0 H PHE A 68 -8.281 -9.137 3.489 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.727 -11.919 3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.841 -11.988 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.563 -12.204 1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.427 -9.098 1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.692 -11.314 -0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.898 -7.264 -0.287 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -10.162 -9.477 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.765 -7.449 -1.880 1.00 0.00 H new ATOM 1088 N ASP A 69 -5.210 -11.310 2.907 1.00 0.00 N ATOM 1089 CA ASP A 69 -3.834 -10.863 2.846 1.00 0.00 C ATOM 1090 C ASP A 69 -3.402 -10.852 1.388 1.00 0.00 C ATOM 1091 O ASP A 69 -3.742 -11.755 0.624 1.00 0.00 O ATOM 1092 CB ASP A 69 -2.912 -11.747 3.698 1.00 0.00 C ATOM 1093 CG ASP A 69 -2.868 -13.199 3.262 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -3.787 -13.967 3.628 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -1.895 -13.586 2.585 1.00 0.00 O ATOM 0 H ASP A 69 -5.338 -12.298 2.686 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.759 -9.858 3.261 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.902 -11.338 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.240 -11.701 4.736 1.00 0.00 H new ATOM 1100 N TRP A 70 -2.678 -9.822 1.002 1.00 0.00 N ATOM 1101 CA TRP A 70 -2.411 -9.566 -0.402 1.00 0.00 C ATOM 1102 C TRP A 70 -0.990 -9.060 -0.605 1.00 0.00 C ATOM 1103 O TRP A 70 -0.348 -8.591 0.334 1.00 0.00 O ATOM 1104 CB TRP A 70 -3.455 -8.595 -1.002 1.00 0.00 C ATOM 1105 CG TRP A 70 -3.847 -7.402 -0.148 1.00 0.00 C ATOM 1106 CD1 TRP A 70 -3.887 -7.318 1.219 1.00 0.00 C ATOM 1107 CD2 TRP A 70 -4.321 -6.134 -0.626 1.00 0.00 C ATOM 1108 NE1 TRP A 70 -4.324 -6.080 1.610 1.00 0.00 N ATOM 1109 CE2 TRP A 70 -4.601 -5.336 0.501 1.00 0.00 C ATOM 1110 CE3 TRP A 70 -4.529 -5.592 -1.898 1.00 0.00 C ATOM 1111 CZ2 TRP A 70 -5.075 -4.033 0.396 1.00 0.00 C ATOM 1112 CZ3 TRP A 70 -5.001 -4.295 -2.001 1.00 0.00 C ATOM 1113 CH2 TRP A 70 -5.270 -3.529 -0.860 1.00 0.00 C ATOM 0 H TRP A 70 -2.262 -9.145 1.642 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.501 -10.510 -0.939 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.067 -8.222 -1.950 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.358 -9.163 -1.228 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.613 -8.116 1.893 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.426 -5.765 2.575 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.325 -6.175 -2.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -5.282 -3.440 1.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.165 -3.866 -2.979 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -5.639 -2.520 -0.974 1.00 0.00 H new ATOM 1124 N GLN A 71 -0.507 -9.176 -1.835 1.00 0.00 N ATOM 1125 CA GLN A 71 0.887 -8.899 -2.145 1.00 0.00 C ATOM 1126 C GLN A 71 1.139 -7.400 -2.235 1.00 0.00 C ATOM 1127 O GLN A 71 0.637 -6.717 -3.127 1.00 0.00 O ATOM 1128 CB GLN A 71 1.271 -9.614 -3.441 1.00 0.00 C ATOM 1129 CG GLN A 71 1.020 -11.114 -3.358 1.00 0.00 C ATOM 1130 CD GLN A 71 0.995 -11.802 -4.707 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.186 -11.886 -5.305 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 2.022 -12.259 -5.204 1.00 0.00 N flip ATOM 0 H GLN A 71 -1.066 -9.462 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 71 1.516 -9.278 -1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.699 -9.196 -4.269 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.324 -9.434 -3.657 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.795 -11.570 -2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.069 -11.287 -2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.910 -12.173 -4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.986 -12.725 -6.111 1.00 0.00 H new ATOM 1141 N VAL A 72 1.920 -6.905 -1.289 1.00 0.00 N ATOM 1142 CA VAL A 72 2.163 -5.478 -1.153 1.00 0.00 C ATOM 1143 C VAL A 72 3.408 -5.040 -1.923 1.00 0.00 C ATOM 1144 O VAL A 72 4.414 -5.752 -1.962 1.00 0.00 O ATOM 1145 CB VAL A 72 2.313 -5.092 0.335 1.00 0.00 C ATOM 1146 CG1 VAL A 72 0.988 -5.278 1.064 1.00 0.00 C ATOM 1147 CG2 VAL A 72 3.401 -5.927 0.999 1.00 0.00 C ATOM 0 H VAL A 72 2.402 -7.478 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 72 1.301 -4.963 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 72 2.601 -4.042 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.107 -5.003 2.112 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.229 -4.644 0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.679 -6.321 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.491 -5.640 2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.140 -6.983 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.351 -5.756 0.493 1.00 0.00 H new ATOM 1157 N ALA A 73 3.322 -3.872 -2.546 1.00 0.00 N ATOM 1158 CA ALA A 73 4.441 -3.305 -3.281 1.00 0.00 C ATOM 1159 C ALA A 73 4.480 -1.790 -3.119 1.00 0.00 C ATOM 1160 O ALA A 73 3.443 -1.147 -2.941 1.00 0.00 O ATOM 1161 CB ALA A 73 4.346 -3.678 -4.749 1.00 0.00 C ATOM 0 H ALA A 73 2.480 -3.296 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 73 5.365 -3.715 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.189 -3.248 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.366 -4.763 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.415 -3.291 -5.163 1.00 0.00 H new ATOM 1167 N VAL A 74 5.673 -1.223 -3.188 1.00 0.00 N ATOM 1168 CA VAL A 74 5.854 0.210 -3.022 1.00 0.00 C ATOM 1169 C VAL A 74 6.984 0.696 -3.928 1.00 0.00 C ATOM 1170 O VAL A 74 7.819 -0.096 -4.362 1.00 0.00 O ATOM 1171 CB VAL A 74 6.158 0.563 -1.543 1.00 0.00 C ATOM 1172 CG1 VAL A 74 7.514 0.022 -1.112 1.00 0.00 C ATOM 1173 CG2 VAL A 74 6.069 2.064 -1.304 1.00 0.00 C ATOM 0 H VAL A 74 6.537 -1.738 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 74 4.928 0.712 -3.303 1.00 0.00 H new ATOM 0 HB VAL A 74 5.397 0.081 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.697 0.286 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.523 -1.063 -1.218 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.294 0.454 -1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.287 2.279 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.792 2.577 -1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.064 2.412 -1.544 1.00 0.00 H new ATOM 1183 N ALA A 75 6.990 1.982 -4.236 1.00 0.00 N ATOM 1184 CA ALA A 75 8.040 2.569 -5.054 1.00 0.00 C ATOM 1185 C ALA A 75 8.847 3.564 -4.234 1.00 0.00 C ATOM 1186 O ALA A 75 8.464 3.898 -3.113 1.00 0.00 O ATOM 1187 CB ALA A 75 7.436 3.245 -6.276 1.00 0.00 C ATOM 0 H ALA A 75 6.276 2.643 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 75 8.709 1.778 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.231 3.681 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.892 2.509 -6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.751 4.031 -5.956 1.00 0.00 H new ATOM 1193 N ASP A 76 9.965 4.032 -4.784 1.00 0.00 N ATOM 1194 CA ASP A 76 10.796 5.019 -4.098 1.00 0.00 C ATOM 1195 C ASP A 76 10.027 6.323 -3.941 1.00 0.00 C ATOM 1196 O ASP A 76 9.671 6.719 -2.832 1.00 0.00 O ATOM 1197 CB ASP A 76 12.094 5.294 -4.866 1.00 0.00 C ATOM 1198 CG ASP A 76 12.959 4.067 -5.041 1.00 0.00 C ATOM 1199 OD1 ASP A 76 13.598 3.631 -4.061 1.00 0.00 O ATOM 1200 OD2 ASP A 76 13.012 3.539 -6.172 1.00 0.00 O ATOM 0 H ASP A 76 10.315 3.746 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 76 11.052 4.612 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.848 5.699 -5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.664 6.059 -4.339 1.00 0.00 H new ATOM 1205 N LEU A 77 9.763 6.972 -5.073 1.00 0.00 N ATOM 1206 CA LEU A 77 8.997 8.215 -5.099 1.00 0.00 C ATOM 1207 C LEU A 77 8.741 8.647 -6.540 1.00 0.00 C ATOM 1208 O LEU A 77 7.622 9.002 -6.904 1.00 0.00 O ATOM 1209 CB LEU A 77 9.703 9.351 -4.333 1.00 0.00 C ATOM 1210 CG LEU A 77 10.984 9.921 -4.963 1.00 0.00 C ATOM 1211 CD1 LEU A 77 11.309 11.274 -4.355 1.00 0.00 C ATOM 1212 CD2 LEU A 77 12.160 8.974 -4.770 1.00 0.00 C ATOM 0 H LEU A 77 10.072 6.654 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 77 8.049 8.018 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.993 10.169 -4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.948 8.987 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 77 10.809 10.037 -6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.218 11.668 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.484 11.963 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.458 11.164 -3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.052 9.404 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.334 8.822 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.937 8.017 -5.241 1.00 0.00 H new ATOM 1224 N GLU A 78 9.785 8.582 -7.356 1.00 0.00 N ATOM 1225 CA GLU A 78 9.726 9.054 -8.734 1.00 0.00 C ATOM 1226 C GLU A 78 8.754 8.222 -9.562 1.00 0.00 C ATOM 1227 O GLU A 78 8.015 8.755 -10.391 1.00 0.00 O ATOM 1228 CB GLU A 78 11.120 9.008 -9.351 1.00 0.00 C ATOM 1229 CG GLU A 78 11.192 9.599 -10.746 1.00 0.00 C ATOM 1230 CD GLU A 78 12.590 9.556 -11.315 1.00 0.00 C ATOM 1231 OE1 GLU A 78 13.397 10.450 -10.986 1.00 0.00 O ATOM 1232 OE2 GLU A 78 12.894 8.628 -12.087 1.00 0.00 O ATOM 0 H GLU A 78 10.692 8.203 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 78 9.364 10.082 -8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.812 9.546 -8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.457 7.972 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.517 9.053 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.845 10.632 -10.719 1.00 0.00 H new ATOM 1239 N GLN A 79 8.742 6.918 -9.309 1.00 0.00 N ATOM 1240 CA GLN A 79 7.900 5.993 -10.062 1.00 0.00 C ATOM 1241 C GLN A 79 6.421 6.327 -9.898 1.00 0.00 C ATOM 1242 O GLN A 79 5.625 6.053 -10.790 1.00 0.00 O ATOM 1243 CB GLN A 79 8.137 4.544 -9.621 1.00 0.00 C ATOM 1244 CG GLN A 79 9.577 4.075 -9.732 1.00 0.00 C ATOM 1245 CD GLN A 79 10.373 4.294 -8.459 1.00 0.00 C ATOM 1246 OE1 GLN A 79 10.121 5.230 -7.695 1.00 0.00 O ATOM 1247 NE2 GLN A 79 11.329 3.418 -8.216 1.00 0.00 N ATOM 0 H GLN A 79 9.308 6.475 -8.585 1.00 0.00 H new ATOM 0 HA GLN A 79 8.175 6.100 -11.111 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.813 4.436 -8.586 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.508 3.888 -10.223 1.00 0.00 H new ATOM 0 HG2 GLN A 79 9.589 3.014 -9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.063 4.603 -10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.504 2.659 -8.874 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.893 3.500 -7.370 1.00 0.00 H new ATOM 1256 N SER A 80 6.068 6.930 -8.765 1.00 0.00 N ATOM 1257 CA SER A 80 4.676 7.223 -8.435 1.00 0.00 C ATOM 1258 C SER A 80 3.974 7.990 -9.556 1.00 0.00 C ATOM 1259 O SER A 80 2.794 7.759 -9.828 1.00 0.00 O ATOM 1260 CB SER A 80 4.608 8.027 -7.135 1.00 0.00 C ATOM 1261 OG SER A 80 3.268 8.234 -6.726 1.00 0.00 O ATOM 0 H SER A 80 6.735 7.228 -8.053 1.00 0.00 H new ATOM 0 HA SER A 80 4.159 6.272 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.152 7.501 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.101 8.989 -7.274 1.00 0.00 H new ATOM 0 HG SER A 80 2.660 7.929 -7.431 1.00 0.00 H new ATOM 1267 N GLU A 81 4.695 8.887 -10.211 1.00 0.00 N ATOM 1268 CA GLU A 81 4.104 9.696 -11.265 1.00 0.00 C ATOM 1269 C GLU A 81 3.815 8.844 -12.495 1.00 0.00 C ATOM 1270 O GLU A 81 2.684 8.791 -12.966 1.00 0.00 O ATOM 1271 CB GLU A 81 5.016 10.864 -11.633 1.00 0.00 C ATOM 1272 CG GLU A 81 4.383 11.842 -12.612 1.00 0.00 C ATOM 1273 CD GLU A 81 5.236 13.071 -12.835 1.00 0.00 C ATOM 1274 OE1 GLU A 81 5.175 13.997 -11.999 1.00 0.00 O ATOM 1275 OE2 GLU A 81 5.969 13.115 -13.843 1.00 0.00 O ATOM 0 H GLU A 81 5.682 9.072 -10.033 1.00 0.00 H new ATOM 0 HA GLU A 81 3.163 10.101 -10.891 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.293 11.399 -10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.937 10.473 -12.066 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.217 11.341 -13.566 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.405 12.145 -12.237 1.00 0.00 H new ATOM 1282 N ALA A 82 4.841 8.162 -12.991 1.00 0.00 N ATOM 1283 CA ALA A 82 4.713 7.340 -14.189 1.00 0.00 C ATOM 1284 C ALA A 82 3.767 6.156 -13.971 1.00 0.00 C ATOM 1285 O ALA A 82 2.988 5.808 -14.859 1.00 0.00 O ATOM 1286 CB ALA A 82 6.080 6.857 -14.636 1.00 0.00 C ATOM 0 H ALA A 82 5.775 8.162 -12.580 1.00 0.00 H new ATOM 0 HA ALA A 82 4.278 7.959 -14.974 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.975 6.244 -15.531 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.715 7.715 -14.857 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.534 6.264 -13.842 1.00 0.00 H new ATOM 1292 N ILE A 83 3.836 5.539 -12.792 1.00 0.00 N ATOM 1293 CA ILE A 83 2.941 4.434 -12.450 1.00 0.00 C ATOM 1294 C ILE A 83 1.493 4.901 -12.482 1.00 0.00 C ATOM 1295 O ILE A 83 0.620 4.231 -13.031 1.00 0.00 O ATOM 1296 CB ILE A 83 3.260 3.839 -11.056 1.00 0.00 C ATOM 1297 CG1 ILE A 83 4.634 3.161 -11.069 1.00 0.00 C ATOM 1298 CG2 ILE A 83 2.183 2.846 -10.634 1.00 0.00 C ATOM 1299 CD1 ILE A 83 5.041 2.576 -9.731 1.00 0.00 C ATOM 0 H ILE A 83 4.501 5.785 -12.059 1.00 0.00 H new ATOM 0 HA ILE A 83 3.095 3.652 -13.194 1.00 0.00 H new ATOM 0 HB ILE A 83 3.278 4.653 -10.331 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.630 2.367 -11.816 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.384 3.888 -11.381 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.427 2.440 -9.652 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.219 3.353 -10.588 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.132 2.034 -11.360 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.024 2.114 -9.820 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.079 3.369 -8.984 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.313 1.824 -9.426 1.00 0.00 H new ATOM 1311 N GLY A 84 1.246 6.067 -11.908 1.00 0.00 N ATOM 1312 CA GLY A 84 -0.084 6.627 -11.930 1.00 0.00 C ATOM 1313 C GLY A 84 -0.478 7.114 -13.312 1.00 0.00 C ATOM 1314 O GLY A 84 -1.653 7.136 -13.657 1.00 0.00 O ATOM 0 H GLY A 84 1.944 6.635 -11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.798 5.875 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.139 7.456 -11.225 1.00 0.00 H new ATOM 1318 N ASP A 85 0.514 7.513 -14.097 1.00 0.00 N ATOM 1319 CA ASP A 85 0.286 8.027 -15.445 1.00 0.00 C ATOM 1320 C ASP A 85 -0.141 6.906 -16.380 1.00 0.00 C ATOM 1321 O ASP A 85 -0.848 7.135 -17.361 1.00 0.00 O ATOM 1322 CB ASP A 85 1.552 8.690 -15.974 1.00 0.00 C ATOM 1323 CG ASP A 85 1.282 9.557 -17.185 1.00 0.00 C ATOM 1324 OD1 ASP A 85 0.831 10.709 -17.007 1.00 0.00 O ATOM 1325 OD2 ASP A 85 1.519 9.096 -18.322 1.00 0.00 O ATOM 0 H ASP A 85 1.496 7.491 -13.821 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.513 8.767 -15.401 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.998 9.298 -15.187 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.280 7.922 -16.235 1.00 0.00 H new ATOM 1330 N ARG A 86 0.325 5.700 -16.060 1.00 0.00 N ATOM 1331 CA ARG A 86 -0.042 4.475 -16.784 1.00 0.00 C ATOM 1332 C ARG A 86 -1.550 4.432 -17.057 1.00 0.00 C ATOM 1333 O ARG A 86 -1.994 3.955 -18.106 1.00 0.00 O ATOM 1334 CB ARG A 86 0.378 3.256 -15.952 1.00 0.00 C ATOM 1335 CG ARG A 86 0.309 1.922 -16.685 1.00 0.00 C ATOM 1336 CD ARG A 86 1.383 1.802 -17.760 1.00 0.00 C ATOM 1337 NE ARG A 86 1.548 0.417 -18.209 1.00 0.00 N ATOM 1338 CZ ARG A 86 2.062 0.059 -19.384 1.00 0.00 C ATOM 1339 NH1 ARG A 86 2.505 0.973 -20.236 1.00 0.00 N ATOM 1340 NH2 ARG A 86 2.156 -1.227 -19.689 1.00 0.00 N ATOM 0 H ARG A 86 0.972 5.540 -15.288 1.00 0.00 H new ATOM 0 HA ARG A 86 0.474 4.463 -17.744 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.399 3.408 -15.601 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.258 3.201 -15.068 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.422 1.109 -15.968 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.674 1.810 -17.142 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.119 2.431 -18.610 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.331 2.174 -17.371 1.00 0.00 H new ATOM 0 HE ARG A 86 1.248 -0.325 -17.577 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.454 1.963 -19.994 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.897 0.687 -21.133 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.836 -1.933 -19.026 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.548 -1.511 -20.587 1.00 0.00 H new ATOM 1354 N PHE A 87 -2.332 4.925 -16.104 1.00 0.00 N ATOM 1355 CA PHE A 87 -3.757 5.131 -16.315 1.00 0.00 C ATOM 1356 C PHE A 87 -4.055 6.629 -16.400 1.00 0.00 C ATOM 1357 O PHE A 87 -4.282 7.147 -17.494 1.00 0.00 O ATOM 1358 CB PHE A 87 -4.595 4.451 -15.220 1.00 0.00 C ATOM 1359 CG PHE A 87 -3.828 4.083 -13.979 1.00 0.00 C ATOM 1360 CD1 PHE A 87 -3.171 2.865 -13.891 1.00 0.00 C ATOM 1361 CD2 PHE A 87 -3.772 4.948 -12.898 1.00 0.00 C ATOM 1362 CE1 PHE A 87 -2.471 2.519 -12.752 1.00 0.00 C ATOM 1363 CE2 PHE A 87 -3.074 4.607 -11.756 1.00 0.00 C ATOM 1364 CZ PHE A 87 -2.423 3.391 -11.683 1.00 0.00 C ATOM 0 H PHE A 87 -2.001 5.190 -15.176 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.039 4.665 -17.259 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.413 5.116 -14.942 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.045 3.548 -15.634 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.207 2.178 -14.724 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.280 5.900 -12.949 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.962 1.568 -12.698 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.037 5.291 -10.921 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.877 3.123 -10.791 1.00 0.00 H new ATOM 1374 N ASN A 88 -4.036 7.307 -15.247 1.00 0.00 N ATOM 1375 CA ASN A 88 -4.152 8.767 -15.167 1.00 0.00 C ATOM 1376 C ASN A 88 -4.414 9.191 -13.725 1.00 0.00 C ATOM 1377 O ASN A 88 -5.548 9.497 -13.352 1.00 0.00 O ATOM 1378 CB ASN A 88 -5.266 9.329 -16.064 1.00 0.00 C ATOM 1379 CG ASN A 88 -5.115 10.821 -16.319 1.00 0.00 C ATOM 1380 OD1 ASN A 88 -4.539 11.555 -15.517 1.00 0.00 O ATOM 1381 ND2 ASN A 88 -5.640 11.282 -17.441 1.00 0.00 N ATOM 0 H ASN A 88 -3.939 6.855 -14.338 1.00 0.00 H new ATOM 0 HA ASN A 88 -3.205 9.174 -15.522 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.262 8.799 -17.017 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.233 9.140 -15.598 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.574 12.275 -17.664 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.111 10.645 -18.083 1.00 0.00 H new ATOM 1388 N VAL A 89 -3.368 9.148 -12.908 1.00 0.00 N ATOM 1389 CA VAL A 89 -3.436 9.600 -11.517 1.00 0.00 C ATOM 1390 C VAL A 89 -2.146 10.328 -11.146 1.00 0.00 C ATOM 1391 O VAL A 89 -2.175 11.444 -10.634 1.00 0.00 O ATOM 1392 CB VAL A 89 -3.649 8.423 -10.530 1.00 0.00 C ATOM 1393 CG1 VAL A 89 -3.617 8.913 -9.090 1.00 0.00 C ATOM 1394 CG2 VAL A 89 -4.959 7.696 -10.810 1.00 0.00 C ATOM 0 H VAL A 89 -2.450 8.801 -13.187 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.292 10.271 -11.437 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.831 7.718 -10.677 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.769 8.070 -8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.651 9.374 -8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.409 9.647 -8.938 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.079 6.876 -10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.791 8.392 -10.704 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.945 7.299 -11.825 1.00 0.00 H new ATOM 1404 N ARG A 90 -1.022 9.674 -11.437 1.00 0.00 N ATOM 1405 CA ARG A 90 0.312 10.204 -11.144 1.00 0.00 C ATOM 1406 C ARG A 90 0.576 10.230 -9.638 1.00 0.00 C ATOM 1407 O ARG A 90 -0.048 9.487 -8.883 1.00 0.00 O ATOM 1408 CB ARG A 90 0.501 11.588 -11.778 1.00 0.00 C ATOM 1409 CG ARG A 90 0.497 11.543 -13.298 1.00 0.00 C ATOM 1410 CD ARG A 90 0.690 12.918 -13.907 1.00 0.00 C ATOM 1411 NE ARG A 90 0.736 12.857 -15.366 1.00 0.00 N ATOM 1412 CZ ARG A 90 0.700 13.919 -16.166 1.00 0.00 C ATOM 1413 NH1 ARG A 90 0.589 15.146 -15.666 1.00 0.00 N ATOM 1414 NH2 ARG A 90 0.765 13.750 -17.477 1.00 0.00 N ATOM 0 H ARG A 90 -1.010 8.758 -11.885 1.00 0.00 H new ATOM 0 HA ARG A 90 1.049 9.536 -11.589 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.294 12.251 -11.436 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.443 12.015 -11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.290 10.879 -13.643 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.446 11.121 -13.646 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.124 13.573 -13.595 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.614 13.357 -13.531 1.00 0.00 H new ATOM 0 HE ARG A 90 0.800 11.937 -15.801 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.530 15.282 -14.657 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.563 15.951 -16.292 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.842 12.811 -17.867 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.738 14.559 -18.097 1.00 0.00 H new ATOM 1428 N ARG A 91 1.521 11.057 -9.204 1.00 0.00 N ATOM 1429 CA ARG A 91 1.943 11.050 -7.807 1.00 0.00 C ATOM 1430 C ARG A 91 0.929 11.720 -6.883 1.00 0.00 C ATOM 1431 O ARG A 91 0.938 12.938 -6.692 1.00 0.00 O ATOM 1432 CB ARG A 91 3.340 11.665 -7.620 1.00 0.00 C ATOM 1433 CG ARG A 91 3.829 12.528 -8.777 1.00 0.00 C ATOM 1434 CD ARG A 91 3.121 13.870 -8.854 1.00 0.00 C ATOM 1435 NE ARG A 91 3.689 14.711 -9.904 1.00 0.00 N ATOM 1436 CZ ARG A 91 3.621 16.035 -9.924 1.00 0.00 C ATOM 1437 NH1 ARG A 91 2.943 16.692 -8.990 1.00 0.00 N ATOM 1438 NH2 ARG A 91 4.229 16.702 -10.891 1.00 0.00 N ATOM 0 H ARG A 91 2.006 11.735 -9.792 1.00 0.00 H new ATOM 0 HA ARG A 91 1.999 10.000 -7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.335 12.270 -6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.056 10.859 -7.461 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.901 12.694 -8.672 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.680 11.990 -9.713 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.060 13.713 -9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.200 14.380 -7.894 1.00 0.00 H new ATOM 0 HE ARG A 91 4.171 14.248 -10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.468 16.178 -8.248 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.897 17.711 -9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.744 16.198 -11.613 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.183 17.721 -10.915 1.00 0.00 H new ATOM 1452 N PHE A 92 0.038 10.901 -6.348 1.00 0.00 N ATOM 1453 CA PHE A 92 -0.872 11.303 -5.288 1.00 0.00 C ATOM 1454 C PHE A 92 -0.895 10.217 -4.222 1.00 0.00 C ATOM 1455 O PHE A 92 -1.153 9.051 -4.530 1.00 0.00 O ATOM 1456 CB PHE A 92 -2.285 11.542 -5.828 1.00 0.00 C ATOM 1457 CG PHE A 92 -2.461 12.861 -6.525 1.00 0.00 C ATOM 1458 CD1 PHE A 92 -2.811 13.993 -5.807 1.00 0.00 C ATOM 1459 CD2 PHE A 92 -2.279 12.971 -7.894 1.00 0.00 C ATOM 1460 CE1 PHE A 92 -2.977 15.209 -6.441 1.00 0.00 C ATOM 1461 CE2 PHE A 92 -2.444 14.184 -8.533 1.00 0.00 C ATOM 1462 CZ PHE A 92 -2.794 15.306 -7.805 1.00 0.00 C ATOM 0 H PHE A 92 -0.075 9.930 -6.640 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.521 12.242 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.537 10.740 -6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.993 11.483 -5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.956 13.924 -4.739 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.005 12.098 -8.468 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.250 16.084 -5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.300 14.256 -9.601 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.924 16.256 -8.303 1.00 0.00 H new ATOM 1472 N PRO A 93 -0.588 10.575 -2.964 1.00 0.00 N ATOM 1473 CA PRO A 93 -0.542 9.612 -1.863 1.00 0.00 C ATOM 1474 C PRO A 93 -1.894 8.944 -1.619 1.00 0.00 C ATOM 1475 O PRO A 93 -2.796 9.533 -1.017 1.00 0.00 O ATOM 1476 CB PRO A 93 -0.120 10.452 -0.651 1.00 0.00 C ATOM 1477 CG PRO A 93 -0.413 11.864 -1.030 1.00 0.00 C ATOM 1478 CD PRO A 93 -0.252 11.936 -2.522 1.00 0.00 C ATOM 0 HA PRO A 93 0.143 8.791 -2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.674 10.161 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.938 10.316 -0.427 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.423 12.146 -0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.270 12.551 -0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.917 12.678 -2.963 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.764 12.211 -2.804 1.00 0.00 H new ATOM 1486 N ALA A 94 -2.029 7.723 -2.114 1.00 0.00 N ATOM 1487 CA ALA A 94 -3.252 6.953 -1.963 1.00 0.00 C ATOM 1488 C ALA A 94 -2.955 5.473 -2.147 1.00 0.00 C ATOM 1489 O ALA A 94 -1.860 5.103 -2.572 1.00 0.00 O ATOM 1490 CB ALA A 94 -4.302 7.418 -2.965 1.00 0.00 C ATOM 0 H ALA A 94 -1.294 7.240 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.648 7.110 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.211 6.831 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.524 8.472 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.922 7.285 -3.978 1.00 0.00 H new ATOM 1496 N THR A 95 -3.920 4.629 -1.824 1.00 0.00 N ATOM 1497 CA THR A 95 -3.737 3.195 -1.937 1.00 0.00 C ATOM 1498 C THR A 95 -4.598 2.634 -3.064 1.00 0.00 C ATOM 1499 O THR A 95 -5.824 2.714 -3.011 1.00 0.00 O ATOM 1500 CB THR A 95 -4.115 2.504 -0.614 1.00 0.00 C ATOM 1501 OG1 THR A 95 -3.364 3.085 0.460 1.00 0.00 O ATOM 1502 CG2 THR A 95 -3.854 1.006 -0.679 1.00 0.00 C ATOM 0 H THR A 95 -4.838 4.913 -1.482 1.00 0.00 H new ATOM 0 HA THR A 95 -2.688 3.002 -2.159 1.00 0.00 H new ATOM 0 HB THR A 95 -5.181 2.651 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.605 2.647 1.303 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.131 0.547 0.270 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.448 0.568 -1.481 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.796 0.829 -0.873 1.00 0.00 H new ATOM 1510 N LEU A 96 -3.960 2.077 -4.083 1.00 0.00 N ATOM 1511 CA LEU A 96 -4.686 1.516 -5.209 1.00 0.00 C ATOM 1512 C LEU A 96 -4.850 0.015 -5.035 1.00 0.00 C ATOM 1513 O LEU A 96 -3.871 -0.711 -4.860 1.00 0.00 O ATOM 1514 CB LEU A 96 -3.959 1.813 -6.520 1.00 0.00 C ATOM 1515 CG LEU A 96 -3.755 3.294 -6.833 1.00 0.00 C ATOM 1516 CD1 LEU A 96 -3.018 3.458 -8.150 1.00 0.00 C ATOM 1517 CD2 LEU A 96 -5.089 4.023 -6.881 1.00 0.00 C ATOM 0 H LEU A 96 -2.945 2.002 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.672 1.979 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.984 1.327 -6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.519 1.360 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.153 3.732 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.880 4.519 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.045 2.971 -8.086 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.599 3.002 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.920 5.076 -7.105 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.716 3.583 -7.656 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.588 3.933 -5.916 1.00 0.00 H new ATOM 1529 N VAL A 97 -6.089 -0.442 -5.086 1.00 0.00 N ATOM 1530 CA VAL A 97 -6.399 -1.848 -4.880 1.00 0.00 C ATOM 1531 C VAL A 97 -6.428 -2.594 -6.205 1.00 0.00 C ATOM 1532 O VAL A 97 -7.242 -2.291 -7.085 1.00 0.00 O ATOM 1533 CB VAL A 97 -7.754 -2.024 -4.163 1.00 0.00 C ATOM 1534 CG1 VAL A 97 -8.079 -3.500 -3.967 1.00 0.00 C ATOM 1535 CG2 VAL A 97 -7.741 -1.299 -2.829 1.00 0.00 C ATOM 0 H VAL A 97 -6.903 0.144 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 97 -5.613 -2.264 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.532 -1.588 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.039 -3.597 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.130 -3.993 -4.938 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.301 -3.967 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.703 -1.431 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.950 -1.708 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.561 -0.237 -2.994 1.00 0.00 H new ATOM 1545 N PHE A 98 -5.532 -3.558 -6.343 1.00 0.00 N ATOM 1546 CA PHE A 98 -5.454 -4.363 -7.546 1.00 0.00 C ATOM 1547 C PHE A 98 -5.840 -5.804 -7.244 1.00 0.00 C ATOM 1548 O PHE A 98 -5.079 -6.541 -6.627 1.00 0.00 O ATOM 1549 CB PHE A 98 -4.042 -4.321 -8.128 1.00 0.00 C ATOM 1550 CG PHE A 98 -3.598 -2.958 -8.576 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -3.014 -2.071 -7.685 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -3.741 -2.574 -9.898 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -2.592 -0.825 -8.106 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -3.322 -1.330 -10.322 1.00 0.00 C ATOM 1555 CZ PHE A 98 -2.746 -0.455 -9.427 1.00 0.00 C ATOM 0 H PHE A 98 -4.845 -3.801 -5.630 1.00 0.00 H new ATOM 0 HA PHE A 98 -6.150 -3.952 -8.277 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.342 -4.690 -7.379 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.991 -5.004 -8.976 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.888 -2.357 -6.651 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.186 -3.257 -10.606 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.142 -0.141 -7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.445 -1.042 -11.356 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.416 0.518 -9.758 1.00 0.00 H new ATOM 1565 N THR A 99 -7.028 -6.192 -7.662 1.00 0.00 N ATOM 1566 CA THR A 99 -7.494 -7.555 -7.485 1.00 0.00 C ATOM 1567 C THR A 99 -8.093 -8.034 -8.793 1.00 0.00 C ATOM 1568 O THR A 99 -8.311 -7.226 -9.699 1.00 0.00 O ATOM 1569 CB THR A 99 -8.544 -7.685 -6.354 1.00 0.00 C ATOM 1570 OG1 THR A 99 -9.715 -6.919 -6.663 1.00 0.00 O ATOM 1571 CG2 THR A 99 -7.975 -7.230 -5.017 1.00 0.00 C ATOM 0 H THR A 99 -7.694 -5.578 -8.131 1.00 0.00 H new ATOM 0 HA THR A 99 -6.640 -8.168 -7.196 1.00 0.00 H new ATOM 0 HB THR A 99 -8.813 -8.738 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.288 -7.429 -7.274 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.736 -7.333 -4.244 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.112 -7.844 -4.761 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.669 -6.186 -5.088 1.00 0.00 H new ATOM 1579 N ASP A 100 -8.333 -9.336 -8.906 1.00 0.00 N ATOM 1580 CA ASP A 100 -8.921 -9.909 -10.119 1.00 0.00 C ATOM 1581 C ASP A 100 -7.945 -9.824 -11.282 1.00 0.00 C ATOM 1582 O ASP A 100 -8.300 -10.109 -12.426 1.00 0.00 O ATOM 1583 CB ASP A 100 -10.225 -9.191 -10.499 1.00 0.00 C ATOM 1584 CG ASP A 100 -11.342 -9.400 -9.500 1.00 0.00 C ATOM 1585 OD1 ASP A 100 -12.083 -10.398 -9.637 1.00 0.00 O ATOM 1586 OD2 ASP A 100 -11.494 -8.563 -8.584 1.00 0.00 O ATOM 0 H ASP A 100 -8.131 -10.017 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.143 -10.955 -9.909 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -10.028 -8.123 -10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -10.553 -9.543 -11.477 1.00 0.00 H new ATOM 1591 N GLY A 101 -6.715 -9.444 -10.981 1.00 0.00 N ATOM 1592 CA GLY A 101 -5.727 -9.231 -12.011 1.00 0.00 C ATOM 1593 C GLY A 101 -5.797 -7.835 -12.605 1.00 0.00 C ATOM 1594 O GLY A 101 -5.130 -7.554 -13.603 1.00 0.00 O ATOM 0 H GLY A 101 -6.382 -9.278 -10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.733 -9.396 -11.596 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.868 -9.967 -12.803 1.00 0.00 H new ATOM 1598 N LYS A 102 -6.609 -6.955 -12.012 1.00 0.00 N ATOM 1599 CA LYS A 102 -6.760 -5.596 -12.524 1.00 0.00 C ATOM 1600 C LYS A 102 -6.903 -4.569 -11.402 1.00 0.00 C ATOM 1601 O LYS A 102 -6.980 -4.916 -10.229 1.00 0.00 O ATOM 1602 CB LYS A 102 -7.980 -5.510 -13.442 1.00 0.00 C ATOM 1603 CG LYS A 102 -7.817 -6.247 -14.762 1.00 0.00 C ATOM 1604 CD LYS A 102 -8.973 -5.965 -15.708 1.00 0.00 C ATOM 1605 CE LYS A 102 -9.078 -4.484 -16.024 1.00 0.00 C ATOM 1606 NZ LYS A 102 -10.162 -4.197 -16.992 1.00 0.00 N ATOM 0 H LYS A 102 -7.167 -7.160 -11.183 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.853 -5.363 -13.082 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.846 -5.914 -12.917 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.193 -4.461 -13.648 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.880 -5.948 -15.233 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.752 -7.319 -14.575 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.835 -6.527 -16.632 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.905 -6.311 -15.260 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.258 -3.929 -15.103 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -8.129 -4.132 -16.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.198 -3.175 -17.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.978 -4.705 -17.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.072 -4.509 -16.597 1.00 0.00 H new ATOM 1620 N LEU A 103 -6.932 -3.297 -11.783 1.00 0.00 N ATOM 1621 CA LEU A 103 -7.173 -2.213 -10.838 1.00 0.00 C ATOM 1622 C LEU A 103 -8.665 -2.107 -10.551 1.00 0.00 C ATOM 1623 O LEU A 103 -9.479 -2.030 -11.473 1.00 0.00 O ATOM 1624 CB LEU A 103 -6.642 -0.888 -11.399 1.00 0.00 C ATOM 1625 CG LEU A 103 -6.895 0.351 -10.534 1.00 0.00 C ATOM 1626 CD1 LEU A 103 -6.267 0.189 -9.157 1.00 0.00 C ATOM 1627 CD2 LEU A 103 -6.358 1.596 -11.227 1.00 0.00 C ATOM 0 H LEU A 103 -6.791 -2.990 -12.745 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.646 -2.427 -9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.568 -0.986 -11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.093 -0.723 -12.378 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.971 0.464 -10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.460 1.081 -8.562 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.699 -0.679 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.191 0.049 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.544 2.469 -10.602 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.286 1.488 -11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.859 1.723 -12.186 1.00 0.00 H new ATOM 1639 N ARG A 104 -9.023 -2.121 -9.280 1.00 0.00 N ATOM 1640 CA ARG A 104 -10.421 -2.103 -8.890 1.00 0.00 C ATOM 1641 C ARG A 104 -10.830 -0.737 -8.350 1.00 0.00 C ATOM 1642 O ARG A 104 -11.855 -0.189 -8.746 1.00 0.00 O ATOM 1643 CB ARG A 104 -10.674 -3.189 -7.848 1.00 0.00 C ATOM 1644 CG ARG A 104 -10.381 -4.593 -8.354 1.00 0.00 C ATOM 1645 CD ARG A 104 -11.524 -5.165 -9.184 1.00 0.00 C ATOM 1646 NE ARG A 104 -11.857 -4.337 -10.347 1.00 0.00 N ATOM 1647 CZ ARG A 104 -12.885 -4.585 -11.155 1.00 0.00 C ATOM 1648 NH1 ARG A 104 -13.629 -5.668 -10.968 1.00 0.00 N ATOM 1649 NH2 ARG A 104 -13.160 -3.755 -12.154 1.00 0.00 N ATOM 0 H ARG A 104 -8.365 -2.145 -8.501 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.029 -2.301 -9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.058 -2.991 -6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.714 -3.137 -7.525 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.472 -4.577 -8.956 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.189 -5.249 -7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.255 -6.166 -9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -12.407 -5.268 -8.554 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.269 -3.528 -10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.413 -6.310 -10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.417 -5.859 -11.587 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.583 -2.927 -12.302 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.948 -3.945 -12.773 1.00 0.00 H new ATOM 1663 N GLY A 105 -10.020 -0.182 -7.459 1.00 0.00 N ATOM 1664 CA GLY A 105 -10.350 1.098 -6.867 1.00 0.00 C ATOM 1665 C GLY A 105 -9.251 1.623 -5.970 1.00 0.00 C ATOM 1666 O GLY A 105 -8.124 1.126 -6.006 1.00 0.00 O ATOM 0 H GLY A 105 -9.144 -0.593 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.545 1.821 -7.659 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.270 1.001 -6.290 1.00 0.00 H new ATOM 1670 N ALA A 106 -9.579 2.614 -5.156 1.00 0.00 N ATOM 1671 CA ALA A 106 -8.597 3.244 -4.289 1.00 0.00 C ATOM 1672 C ALA A 106 -9.147 3.425 -2.880 1.00 0.00 C ATOM 1673 O ALA A 106 -10.346 3.639 -2.697 1.00 0.00 O ATOM 1674 CB ALA A 106 -8.168 4.582 -4.865 1.00 0.00 C ATOM 0 H ALA A 106 -10.520 3.000 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.727 2.590 -4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.432 5.043 -4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.727 4.430 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -9.036 5.235 -4.953 1.00 0.00 H new ATOM 1680 N LEU A 107 -8.262 3.330 -1.896 1.00 0.00 N ATOM 1681 CA LEU A 107 -8.631 3.513 -0.497 1.00 0.00 C ATOM 1682 C LEU A 107 -7.921 4.737 0.068 1.00 0.00 C ATOM 1683 O LEU A 107 -6.864 5.131 -0.432 1.00 0.00 O ATOM 1684 CB LEU A 107 -8.269 2.273 0.334 1.00 0.00 C ATOM 1685 CG LEU A 107 -9.376 1.222 0.492 1.00 0.00 C ATOM 1686 CD1 LEU A 107 -10.555 1.801 1.249 1.00 0.00 C ATOM 1687 CD2 LEU A 107 -9.829 0.691 -0.860 1.00 0.00 C ATOM 0 H LEU A 107 -7.274 3.125 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.710 3.659 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.403 1.794 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.964 2.602 1.327 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.965 0.389 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.330 1.041 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -10.230 2.123 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.954 2.655 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.614 -0.052 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -10.214 1.513 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -8.984 0.231 -1.372 1.00 0.00 H new ATOM 1699 N SER A 108 -8.501 5.336 1.097 1.00 0.00 N ATOM 1700 CA SER A 108 -7.912 6.509 1.722 1.00 0.00 C ATOM 1701 C SER A 108 -7.395 6.174 3.118 1.00 0.00 C ATOM 1702 O SER A 108 -6.192 6.257 3.379 1.00 0.00 O ATOM 1703 CB SER A 108 -8.935 7.644 1.784 1.00 0.00 C ATOM 1704 OG SER A 108 -9.428 7.948 0.488 1.00 0.00 O ATOM 0 H SER A 108 -9.379 5.029 1.516 1.00 0.00 H new ATOM 0 HA SER A 108 -7.066 6.836 1.117 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.762 7.360 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.475 8.531 2.221 1.00 0.00 H new ATOM 0 HG SER A 108 -10.082 8.675 0.549 1.00 0.00 H new ATOM 1710 N GLY A 109 -8.305 5.803 4.011 1.00 0.00 N ATOM 1711 CA GLY A 109 -7.927 5.458 5.366 1.00 0.00 C ATOM 1712 C GLY A 109 -7.712 6.689 6.216 1.00 0.00 C ATOM 1713 O GLY A 109 -8.518 7.001 7.092 1.00 0.00 O ATOM 0 H GLY A 109 -9.304 5.735 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.703 4.837 5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.014 4.863 5.349 1.00 0.00 H new ATOM 1717 N ILE A 110 -6.625 7.399 5.926 1.00 0.00 N ATOM 1718 CA ILE A 110 -6.255 8.620 6.638 1.00 0.00 C ATOM 1719 C ILE A 110 -5.871 8.313 8.089 1.00 0.00 C ATOM 1720 O ILE A 110 -4.691 8.353 8.444 1.00 0.00 O ATOM 1721 CB ILE A 110 -7.381 9.681 6.605 1.00 0.00 C ATOM 1722 CG1 ILE A 110 -7.852 9.919 5.164 1.00 0.00 C ATOM 1723 CG2 ILE A 110 -6.890 10.985 7.221 1.00 0.00 C ATOM 1724 CD1 ILE A 110 -9.062 10.822 5.059 1.00 0.00 C ATOM 0 H ILE A 110 -5.972 7.142 5.186 1.00 0.00 H new ATOM 0 HA ILE A 110 -5.391 9.035 6.119 1.00 0.00 H new ATOM 0 HB ILE A 110 -8.225 9.312 7.188 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -7.034 10.355 4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.086 8.959 4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -7.690 11.725 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.594 10.810 8.255 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -6.034 11.355 6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -9.336 10.943 4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.896 10.378 5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -8.827 11.796 5.488 1.00 0.00 H new ATOM 1736 N HIS A 111 -6.866 7.999 8.913 1.00 0.00 N ATOM 1737 CA HIS A 111 -6.650 7.689 10.328 1.00 0.00 C ATOM 1738 C HIS A 111 -7.736 6.744 10.860 1.00 0.00 C ATOM 1739 O HIS A 111 -7.418 5.665 11.355 1.00 0.00 O ATOM 1740 CB HIS A 111 -6.584 8.962 11.191 1.00 0.00 C ATOM 1741 CG HIS A 111 -5.293 9.713 11.062 1.00 0.00 C ATOM 1742 ND1 HIS A 111 -5.212 11.002 10.583 1.00 0.00 N ATOM 1743 CD2 HIS A 111 -4.023 9.341 11.351 1.00 0.00 C ATOM 1744 CE1 HIS A 111 -3.948 11.387 10.580 1.00 0.00 C ATOM 1745 NE2 HIS A 111 -3.205 10.398 11.044 1.00 0.00 N ATOM 0 H HIS A 111 -7.843 7.952 8.623 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.685 7.187 10.398 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -7.407 9.621 10.913 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.733 8.690 12.236 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.712 8.387 11.750 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.583 12.349 10.253 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.191 10.417 11.155 1.00 0.00 H new ATOM 1754 N PRO A 112 -9.033 7.120 10.779 1.00 0.00 N ATOM 1755 CA PRO A 112 -10.120 6.289 11.272 1.00 0.00 C ATOM 1756 C PRO A 112 -10.636 5.319 10.212 1.00 0.00 C ATOM 1757 O PRO A 112 -10.639 5.628 9.023 1.00 0.00 O ATOM 1758 CB PRO A 112 -11.210 7.305 11.641 1.00 0.00 C ATOM 1759 CG PRO A 112 -10.790 8.619 11.045 1.00 0.00 C ATOM 1760 CD PRO A 112 -9.563 8.364 10.209 1.00 0.00 C ATOM 0 HA PRO A 112 -9.804 5.661 12.105 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -12.179 6.994 11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -11.314 7.386 12.723 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -11.590 9.036 10.434 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -10.576 9.345 11.829 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -9.809 8.252 9.153 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -8.846 9.181 10.284 1.00 0.00 H new ATOM 1768 N TRP A 113 -11.111 4.163 10.657 1.00 0.00 N ATOM 1769 CA TRP A 113 -11.624 3.130 9.759 1.00 0.00 C ATOM 1770 C TRP A 113 -13.061 3.462 9.332 1.00 0.00 C ATOM 1771 O TRP A 113 -13.893 2.574 9.152 1.00 0.00 O ATOM 1772 CB TRP A 113 -11.583 1.775 10.476 1.00 0.00 C ATOM 1773 CG TRP A 113 -11.406 0.601 9.557 1.00 0.00 C ATOM 1774 CD1 TRP A 113 -12.328 0.080 8.697 1.00 0.00 C ATOM 1775 CD2 TRP A 113 -10.230 -0.207 9.419 1.00 0.00 C ATOM 1776 NE1 TRP A 113 -11.795 -0.996 8.029 1.00 0.00 N ATOM 1777 CE2 TRP A 113 -10.510 -1.194 8.457 1.00 0.00 C ATOM 1778 CE3 TRP A 113 -8.965 -0.188 10.018 1.00 0.00 C ATOM 1779 CZ2 TRP A 113 -9.571 -2.152 8.078 1.00 0.00 C ATOM 1780 CZ3 TRP A 113 -8.037 -1.140 9.642 1.00 0.00 C ATOM 1781 CH2 TRP A 113 -8.343 -2.110 8.680 1.00 0.00 C ATOM 0 H TRP A 113 -11.153 3.913 11.645 1.00 0.00 H new ATOM 0 HA TRP A 113 -11.003 3.086 8.864 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.767 1.783 11.199 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -12.507 1.646 11.039 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -13.330 0.458 8.561 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.279 -1.557 7.328 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -8.719 0.557 10.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -9.804 -2.901 7.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.058 -1.136 10.098 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -7.595 -2.840 8.408 1.00 0.00 H new ATOM 1792 N ALA A 114 -13.334 4.747 9.154 1.00 0.00 N ATOM 1793 CA ALA A 114 -14.682 5.218 8.874 1.00 0.00 C ATOM 1794 C ALA A 114 -15.060 4.991 7.418 1.00 0.00 C ATOM 1795 O ALA A 114 -16.126 4.455 7.121 1.00 0.00 O ATOM 1796 CB ALA A 114 -14.811 6.690 9.233 1.00 0.00 C ATOM 0 H ALA A 114 -12.633 5.487 9.199 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.373 4.641 9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.824 7.029 9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.600 6.826 10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.101 7.272 8.644 1.00 0.00 H new ATOM 1802 N GLU A 115 -14.183 5.386 6.508 1.00 0.00 N ATOM 1803 CA GLU A 115 -14.472 5.267 5.087 1.00 0.00 C ATOM 1804 C GLU A 115 -13.865 3.994 4.515 1.00 0.00 C ATOM 1805 O GLU A 115 -14.318 3.497 3.488 1.00 0.00 O ATOM 1806 CB GLU A 115 -14.006 6.509 4.306 1.00 0.00 C ATOM 1807 CG GLU A 115 -12.705 7.130 4.797 1.00 0.00 C ATOM 1808 CD GLU A 115 -11.540 6.172 4.749 1.00 0.00 C ATOM 1809 OE1 GLU A 115 -10.936 6.016 3.665 1.00 0.00 O ATOM 1810 OE2 GLU A 115 -11.248 5.552 5.790 1.00 0.00 O ATOM 0 H GLU A 115 -13.272 5.789 6.725 1.00 0.00 H new ATOM 0 HA GLU A 115 -15.554 5.204 4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -13.887 6.236 3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -14.791 7.264 4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.474 8.005 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.839 7.479 5.821 1.00 0.00 H new ATOM 1817 N LEU A 116 -12.843 3.471 5.191 1.00 0.00 N ATOM 1818 CA LEU A 116 -12.229 2.202 4.811 1.00 0.00 C ATOM 1819 C LEU A 116 -13.279 1.108 4.696 1.00 0.00 C ATOM 1820 O LEU A 116 -13.300 0.360 3.723 1.00 0.00 O ATOM 1821 CB LEU A 116 -11.167 1.792 5.835 1.00 0.00 C ATOM 1822 CG LEU A 116 -9.837 2.539 5.737 1.00 0.00 C ATOM 1823 CD1 LEU A 116 -8.969 2.244 6.951 1.00 0.00 C ATOM 1824 CD2 LEU A 116 -9.107 2.153 4.457 1.00 0.00 C ATOM 0 H LEU A 116 -12.422 3.911 6.009 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.754 2.336 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.575 1.941 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.974 0.725 5.725 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.042 3.609 5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.026 2.784 6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.488 2.563 7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.770 1.174 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.162 2.693 4.400 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.913 1.080 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -9.723 2.409 3.595 1.00 0.00 H new ATOM 1836 N LEU A 117 -14.160 1.032 5.686 1.00 0.00 N ATOM 1837 CA LEU A 117 -15.208 0.022 5.702 1.00 0.00 C ATOM 1838 C LEU A 117 -16.151 0.228 4.511 1.00 0.00 C ATOM 1839 O LEU A 117 -16.516 -0.724 3.818 1.00 0.00 O ATOM 1840 CB LEU A 117 -15.984 0.097 7.028 1.00 0.00 C ATOM 1841 CG LEU A 117 -16.539 -1.233 7.566 1.00 0.00 C ATOM 1842 CD1 LEU A 117 -17.586 -1.816 6.631 1.00 0.00 C ATOM 1843 CD2 LEU A 117 -15.409 -2.229 7.793 1.00 0.00 C ATOM 0 H LEU A 117 -14.168 1.660 6.490 1.00 0.00 H new ATOM 0 HA LEU A 117 -14.757 -0.967 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -15.328 0.526 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.817 0.789 6.899 1.00 0.00 H new ATOM 0 HG LEU A 117 -17.023 -1.031 8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -17.957 -2.755 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -18.413 -1.113 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -17.140 -1.998 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -15.819 -3.164 8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -14.894 -2.416 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -14.704 -1.821 8.517 1.00 0.00 H new ATOM 1855 N THR A 118 -16.519 1.479 4.271 1.00 0.00 N ATOM 1856 CA THR A 118 -17.435 1.820 3.191 1.00 0.00 C ATOM 1857 C THR A 118 -16.807 1.564 1.817 1.00 0.00 C ATOM 1858 O THR A 118 -17.394 0.888 0.969 1.00 0.00 O ATOM 1859 CB THR A 118 -17.858 3.300 3.283 1.00 0.00 C ATOM 1860 OG1 THR A 118 -18.285 3.604 4.616 1.00 0.00 O ATOM 1861 CG2 THR A 118 -18.985 3.609 2.306 1.00 0.00 C ATOM 0 H THR A 118 -16.195 2.279 4.814 1.00 0.00 H new ATOM 0 HA THR A 118 -18.311 1.180 3.301 1.00 0.00 H new ATOM 0 HB THR A 118 -16.996 3.915 3.024 1.00 0.00 H new ATOM 0 HG1 THR A 118 -18.551 4.546 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 118 -19.263 4.659 2.392 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.651 3.404 1.289 1.00 0.00 H new ATOM 0 HG23 THR A 118 -19.848 2.985 2.537 1.00 0.00 H new ATOM 1869 N LEU A 119 -15.607 2.095 1.612 1.00 0.00 N ATOM 1870 CA LEU A 119 -14.929 1.982 0.329 1.00 0.00 C ATOM 1871 C LEU A 119 -14.573 0.533 0.027 1.00 0.00 C ATOM 1872 O LEU A 119 -14.750 0.067 -1.100 1.00 0.00 O ATOM 1873 CB LEU A 119 -13.666 2.847 0.307 1.00 0.00 C ATOM 1874 CG LEU A 119 -13.895 4.352 0.465 1.00 0.00 C ATOM 1875 CD1 LEU A 119 -12.567 5.094 0.465 1.00 0.00 C ATOM 1876 CD2 LEU A 119 -14.797 4.877 -0.642 1.00 0.00 C ATOM 0 H LEU A 119 -15.084 2.609 2.321 1.00 0.00 H new ATOM 0 HA LEU A 119 -15.612 2.338 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -13.004 2.512 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -13.144 2.673 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 119 -14.389 4.525 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -12.747 6.163 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.952 4.740 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -12.048 4.911 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -14.947 5.949 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -14.331 4.691 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -15.760 4.368 -0.599 1.00 0.00 H new ATOM 1888 N MET A 120 -14.090 -0.179 1.043 1.00 0.00 N ATOM 1889 CA MET A 120 -13.761 -1.595 0.901 1.00 0.00 C ATOM 1890 C MET A 120 -14.973 -2.367 0.409 1.00 0.00 C ATOM 1891 O MET A 120 -14.859 -3.223 -0.459 1.00 0.00 O ATOM 1892 CB MET A 120 -13.290 -2.181 2.235 1.00 0.00 C ATOM 1893 CG MET A 120 -12.946 -3.662 2.171 1.00 0.00 C ATOM 1894 SD MET A 120 -12.585 -4.364 3.796 1.00 0.00 S ATOM 1895 CE MET A 120 -14.169 -4.157 4.607 1.00 0.00 C ATOM 0 H MET A 120 -13.918 0.202 1.973 1.00 0.00 H new ATOM 0 HA MET A 120 -12.954 -1.684 0.174 1.00 0.00 H new ATOM 0 HB2 MET A 120 -12.413 -1.629 2.574 1.00 0.00 H new ATOM 0 HB3 MET A 120 -14.070 -2.031 2.982 1.00 0.00 H new ATOM 0 HG2 MET A 120 -13.777 -4.205 1.722 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.084 -3.803 1.519 1.00 0.00 H new ATOM 0 HE1 MET A 120 -14.179 -4.727 5.536 1.00 0.00 H new ATOM 0 HE2 MET A 120 -14.330 -3.102 4.827 1.00 0.00 H new ATOM 0 HE3 MET A 120 -14.963 -4.516 3.952 1.00 0.00 H new ATOM 1905 N ARG A 121 -16.134 -2.035 0.959 1.00 0.00 N ATOM 1906 CA ARG A 121 -17.374 -2.711 0.608 1.00 0.00 C ATOM 1907 C ARG A 121 -17.685 -2.548 -0.879 1.00 0.00 C ATOM 1908 O ARG A 121 -18.162 -3.474 -1.534 1.00 0.00 O ATOM 1909 CB ARG A 121 -18.532 -2.145 1.434 1.00 0.00 C ATOM 1910 CG ARG A 121 -19.761 -3.037 1.454 1.00 0.00 C ATOM 1911 CD ARG A 121 -19.510 -4.292 2.271 1.00 0.00 C ATOM 1912 NE ARG A 121 -20.618 -5.239 2.189 1.00 0.00 N ATOM 1913 CZ ARG A 121 -21.493 -5.451 3.172 1.00 0.00 C ATOM 1914 NH1 ARG A 121 -21.460 -4.708 4.275 1.00 0.00 N ATOM 1915 NH2 ARG A 121 -22.413 -6.398 3.043 1.00 0.00 N ATOM 0 H ARG A 121 -16.242 -1.297 1.654 1.00 0.00 H new ATOM 0 HA ARG A 121 -17.252 -3.772 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -18.193 -1.986 2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -18.809 -1.169 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -20.605 -2.489 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.032 -3.311 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.597 -4.774 1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -19.346 -4.017 3.313 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.730 -5.771 1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.762 -3.971 4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.133 -4.876 5.023 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.449 -6.961 2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.084 -6.563 3.793 1.00 0.00 H new ATOM 1929 N SER A 122 -17.427 -1.359 -1.400 1.00 0.00 N ATOM 1930 CA SER A 122 -17.714 -1.053 -2.792 1.00 0.00 C ATOM 1931 C SER A 122 -16.676 -1.685 -3.724 1.00 0.00 C ATOM 1932 O SER A 122 -17.021 -2.274 -4.751 1.00 0.00 O ATOM 1933 CB SER A 122 -17.756 0.465 -2.993 1.00 0.00 C ATOM 1934 OG SER A 122 -18.137 0.806 -4.316 1.00 0.00 O ATOM 0 H SER A 122 -17.017 -0.586 -0.876 1.00 0.00 H new ATOM 0 HA SER A 122 -18.687 -1.475 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.458 0.907 -2.286 1.00 0.00 H new ATOM 0 HB3 SER A 122 -16.776 0.889 -2.775 1.00 0.00 H new ATOM 0 HG SER A 122 -18.155 1.781 -4.410 1.00 0.00 H new ATOM 1940 N ILE A 123 -15.406 -1.565 -3.353 1.00 0.00 N ATOM 1941 CA ILE A 123 -14.314 -2.031 -4.197 1.00 0.00 C ATOM 1942 C ILE A 123 -14.193 -3.554 -4.159 1.00 0.00 C ATOM 1943 O ILE A 123 -14.124 -4.205 -5.201 1.00 0.00 O ATOM 1944 CB ILE A 123 -12.969 -1.396 -3.768 1.00 0.00 C ATOM 1945 CG1 ILE A 123 -13.057 0.134 -3.823 1.00 0.00 C ATOM 1946 CG2 ILE A 123 -11.828 -1.897 -4.644 1.00 0.00 C ATOM 1947 CD1 ILE A 123 -13.440 0.680 -5.182 1.00 0.00 C ATOM 0 H ILE A 123 -15.108 -1.148 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 123 -14.544 -1.723 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 123 -12.764 -1.695 -2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -13.787 0.472 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -12.094 0.554 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -10.894 -1.437 -4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -11.749 -2.980 -4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -12.024 -1.633 -5.683 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -13.481 1.768 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -12.698 0.374 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -14.417 0.291 -5.468 1.00 0.00 H new ATOM 1959 N VAL A 124 -14.182 -4.112 -2.959 1.00 0.00 N ATOM 1960 CA VAL A 124 -14.046 -5.548 -2.777 1.00 0.00 C ATOM 1961 C VAL A 124 -15.022 -6.044 -1.713 1.00 0.00 C ATOM 1962 O VAL A 124 -14.651 -6.262 -0.560 1.00 0.00 O ATOM 1963 CB VAL A 124 -12.598 -5.960 -2.400 1.00 0.00 C ATOM 1964 CG1 VAL A 124 -11.702 -5.972 -3.631 1.00 0.00 C ATOM 1965 CG2 VAL A 124 -12.018 -5.030 -1.342 1.00 0.00 C ATOM 0 H VAL A 124 -14.267 -3.586 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 124 -14.281 -6.015 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.640 -6.967 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -10.692 -6.264 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.092 -6.684 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -11.680 -4.977 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -11.003 -5.344 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.000 -4.010 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -12.635 -5.070 -0.445 1.00 0.00 H new ATOM 1975 N ASP A 125 -16.284 -6.167 -2.104 1.00 0.00 N ATOM 1976 CA ASP A 125 -17.327 -6.652 -1.205 1.00 0.00 C ATOM 1977 C ASP A 125 -16.959 -8.024 -0.658 1.00 0.00 C ATOM 1978 O ASP A 125 -16.854 -8.201 0.554 1.00 0.00 O ATOM 1979 CB ASP A 125 -18.667 -6.726 -1.936 1.00 0.00 C ATOM 1980 CG ASP A 125 -19.804 -7.150 -1.027 1.00 0.00 C ATOM 1981 OD1 ASP A 125 -20.310 -6.303 -0.264 1.00 0.00 O ATOM 1982 OD2 ASP A 125 -20.221 -8.321 -1.090 1.00 0.00 O ATOM 0 H ASP A 125 -16.612 -5.937 -3.042 1.00 0.00 H new ATOM 0 HA ASP A 125 -17.417 -5.953 -0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -18.896 -5.751 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -18.587 -7.430 -2.764 1.00 0.00 H new