USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 MET CE :methyl -158:sc= -2.76! (180deg=-3.99!) USER MOD Single : A 11 SER OG : rot -80:sc= 1.09 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -164:sc= 1.31 (180deg=1.16) USER MOD Single : A 17 GLN : amide:sc= -2.51! K(o=-2.5!,f=-1.2) USER MOD Single : A 19 SER OG : rot -54:sc= 1.32 USER MOD Single : A 23 ASN : amide:sc= -0.0464 X(o=-0.046,f=-0.0096) USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.0572 (180deg=-0.397) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.13) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -2.38 K(o=-2.4,f=-5.5!) USER MOD Single : A 39 SER OG : rot -82:sc= 1.14 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.871 K(o=-0.87,f=-0.016) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -74:sc= -0.822 USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= 1.3 (180deg=0.82) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 166:sc= 1.32 USER MOD Single : A 70 TYR OH : rot -161:sc= 1.11 USER MOD Single : A 72 THR OG1 : rot -15:sc= 1.83 USER MOD Single : A 73 SER OG : rot -61:sc= 1.25 USER MOD Single : A 74 CYS SG : rot -16:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -12.942 6.943 -2.061 1.00 0.00 N ATOM 127 CA PRO A 9 -12.642 6.129 -3.235 1.00 0.00 C ATOM 128 C PRO A 9 -11.343 6.569 -3.900 1.00 0.00 C ATOM 129 O PRO A 9 -11.158 7.751 -4.197 1.00 0.00 O ATOM 130 CB PRO A 9 -13.839 6.369 -4.164 1.00 0.00 C ATOM 131 CG PRO A 9 -14.426 7.666 -3.725 1.00 0.00 C ATOM 132 CD PRO A 9 -14.129 7.795 -2.254 1.00 0.00 C ATOM 0 HA PRO A 9 -12.502 5.077 -2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.525 6.413 -5.207 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.567 5.561 -4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.992 8.496 -4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.501 7.687 -3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.929 8.830 -1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.968 7.457 -1.645 1.00 0.00 H new ATOM 140 N MET A 10 -10.437 5.629 -4.116 1.00 0.00 N ATOM 141 CA MET A 10 -9.145 5.946 -4.710 1.00 0.00 C ATOM 142 C MET A 10 -9.204 5.758 -6.225 1.00 0.00 C ATOM 143 O MET A 10 -9.524 4.668 -6.701 1.00 0.00 O ATOM 144 CB MET A 10 -8.045 5.057 -4.122 1.00 0.00 C ATOM 145 CG MET A 10 -6.648 5.453 -4.572 1.00 0.00 C ATOM 146 SD MET A 10 -5.891 6.704 -3.528 1.00 0.00 S ATOM 147 CE MET A 10 -5.294 5.696 -2.184 1.00 0.00 C ATOM 0 H MET A 10 -10.570 4.643 -3.890 1.00 0.00 H new ATOM 0 HA MET A 10 -8.911 6.986 -4.484 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.095 5.101 -3.034 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.232 4.022 -4.408 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.013 4.567 -4.584 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.696 5.825 -5.596 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.158 6.315 -1.297 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.017 4.909 -1.970 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.341 5.246 -2.462 1.00 0.00 H new ATOM 157 N SER A 11 -8.904 6.811 -6.975 1.00 0.00 N ATOM 158 CA SER A 11 -8.963 6.748 -8.435 1.00 0.00 C ATOM 159 C SER A 11 -7.727 6.050 -9.019 1.00 0.00 C ATOM 160 O SER A 11 -6.815 5.679 -8.277 1.00 0.00 O ATOM 161 CB SER A 11 -9.123 8.153 -9.019 1.00 0.00 C ATOM 162 OG SER A 11 -8.144 9.042 -8.507 1.00 0.00 O ATOM 0 H SER A 11 -8.618 7.716 -6.601 1.00 0.00 H new ATOM 0 HA SER A 11 -9.833 6.153 -8.712 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.043 8.108 -10.105 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.118 8.533 -8.788 1.00 0.00 H new ATOM 0 HG SER A 11 -8.418 9.355 -7.620 1.00 0.00 H new ATOM 168 N TYR A 12 -7.687 5.878 -10.342 1.00 0.00 N ATOM 169 CA TYR A 12 -6.632 5.087 -10.973 1.00 0.00 C ATOM 170 C TYR A 12 -5.258 5.762 -10.822 1.00 0.00 C ATOM 171 O TYR A 12 -4.299 5.129 -10.377 1.00 0.00 O ATOM 172 CB TYR A 12 -6.997 4.776 -12.440 1.00 0.00 C ATOM 173 CG TYR A 12 -6.318 5.607 -13.506 1.00 0.00 C ATOM 174 CD1 TYR A 12 -5.004 5.355 -13.858 1.00 0.00 C ATOM 175 CD2 TYR A 12 -7.004 6.602 -14.190 1.00 0.00 C ATOM 176 CE1 TYR A 12 -4.381 6.071 -14.859 1.00 0.00 C ATOM 177 CE2 TYR A 12 -6.386 7.330 -15.188 1.00 0.00 C ATOM 178 CZ TYR A 12 -5.077 7.058 -15.520 1.00 0.00 C ATOM 179 OH TYR A 12 -4.465 7.767 -16.526 1.00 0.00 O ATOM 0 H TYR A 12 -8.367 6.273 -10.991 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.552 4.131 -10.456 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.769 3.727 -12.631 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.075 4.894 -12.554 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.455 4.583 -13.339 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.034 6.809 -13.938 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.355 5.859 -15.122 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.926 8.109 -15.706 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.093 8.425 -16.891 1.00 0.00 H new ATOM 189 N GLU A 13 -5.177 7.045 -11.176 1.00 0.00 N ATOM 190 CA GLU A 13 -3.969 7.854 -10.964 1.00 0.00 C ATOM 191 C GLU A 13 -3.521 7.803 -9.508 1.00 0.00 C ATOM 192 O GLU A 13 -2.327 7.843 -9.214 1.00 0.00 O ATOM 193 CB GLU A 13 -4.256 9.323 -11.364 1.00 0.00 C ATOM 194 CG GLU A 13 -5.508 9.860 -10.708 1.00 0.00 C ATOM 195 CD GLU A 13 -5.708 11.340 -10.943 1.00 0.00 C ATOM 196 OE1 GLU A 13 -6.205 11.711 -12.028 1.00 0.00 O ATOM 197 OE2 GLU A 13 -5.373 12.140 -10.043 1.00 0.00 O ATOM 0 H GLU A 13 -5.943 7.555 -11.617 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.170 7.446 -11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.406 9.946 -11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.358 9.389 -12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.373 9.317 -11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.460 9.671 -9.636 1.00 0.00 H new ATOM 204 N GLU A 14 -4.479 7.698 -8.610 1.00 0.00 N ATOM 205 CA GLU A 14 -4.198 7.673 -7.196 1.00 0.00 C ATOM 206 C GLU A 14 -3.637 6.327 -6.772 1.00 0.00 C ATOM 207 O GLU A 14 -2.680 6.269 -6.010 1.00 0.00 O ATOM 208 CB GLU A 14 -5.463 7.987 -6.428 1.00 0.00 C ATOM 209 CG GLU A 14 -5.812 9.462 -6.414 1.00 0.00 C ATOM 210 CD GLU A 14 -7.011 9.757 -5.546 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.117 9.276 -5.871 1.00 0.00 O ATOM 212 OE2 GLU A 14 -6.855 10.467 -4.527 1.00 0.00 O ATOM 0 H GLU A 14 -5.470 7.628 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.443 8.428 -6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.292 7.430 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.351 7.639 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.956 10.033 -6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.012 9.796 -7.432 1.00 0.00 H new ATOM 219 N LYS A 15 -4.241 5.247 -7.259 1.00 0.00 N ATOM 220 CA LYS A 15 -3.700 3.907 -7.036 1.00 0.00 C ATOM 221 C LYS A 15 -2.294 3.809 -7.628 1.00 0.00 C ATOM 222 O LYS A 15 -1.417 3.156 -7.067 1.00 0.00 O ATOM 223 CB LYS A 15 -4.598 2.831 -7.645 1.00 0.00 C ATOM 224 CG LYS A 15 -5.916 2.661 -6.935 1.00 0.00 C ATOM 225 CD LYS A 15 -6.961 2.140 -7.893 1.00 0.00 C ATOM 226 CE LYS A 15 -8.013 1.337 -7.169 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.976 0.698 -8.102 1.00 0.00 N ATOM 0 H LYS A 15 -5.100 5.271 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.657 3.737 -5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.788 3.079 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.066 1.880 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.801 1.970 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.238 3.615 -6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.431 2.975 -8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.485 1.520 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.529 0.568 -6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.554 1.987 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.819 0.392 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.255 1.381 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.529 -0.127 -8.551 1.00 0.00 H new ATOM 241 N ARG A 16 -2.095 4.469 -8.770 1.00 0.00 N ATOM 242 CA ARG A 16 -0.770 4.581 -9.375 1.00 0.00 C ATOM 243 C ARG A 16 0.181 5.271 -8.415 1.00 0.00 C ATOM 244 O ARG A 16 1.215 4.716 -8.049 1.00 0.00 O ATOM 245 CB ARG A 16 -0.824 5.381 -10.676 1.00 0.00 C ATOM 246 CG ARG A 16 0.523 5.479 -11.365 1.00 0.00 C ATOM 247 CD ARG A 16 0.541 6.551 -12.431 1.00 0.00 C ATOM 248 NE ARG A 16 0.283 7.887 -11.887 1.00 0.00 N ATOM 249 CZ ARG A 16 -0.442 8.818 -12.511 1.00 0.00 C ATOM 250 NH1 ARG A 16 -0.992 8.557 -13.692 1.00 0.00 N ATOM 251 NH2 ARG A 16 -0.613 10.010 -11.949 1.00 0.00 N ATOM 0 H ARG A 16 -2.836 4.934 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.417 3.573 -9.594 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.540 4.915 -11.353 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.192 6.385 -10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.294 5.692 -10.624 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.770 4.517 -11.815 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.510 6.546 -12.930 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.209 6.319 -13.188 1.00 0.00 H new ATOM 0 HE ARG A 16 0.681 8.119 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.861 7.643 -14.125 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.545 9.271 -14.166 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.191 10.212 -11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.167 10.723 -12.424 1.00 0.00 H new ATOM 265 N GLN A 17 -0.188 6.483 -8.012 1.00 0.00 N ATOM 266 CA GLN A 17 0.602 7.268 -7.073 1.00 0.00 C ATOM 267 C GLN A 17 0.886 6.446 -5.823 1.00 0.00 C ATOM 268 O GLN A 17 2.004 6.433 -5.314 1.00 0.00 O ATOM 269 CB GLN A 17 -0.154 8.560 -6.723 1.00 0.00 C ATOM 270 CG GLN A 17 0.665 9.581 -5.938 1.00 0.00 C ATOM 271 CD GLN A 17 0.855 9.223 -4.479 1.00 0.00 C ATOM 272 OE1 GLN A 17 1.873 9.563 -3.876 1.00 0.00 O ATOM 273 NE2 GLN A 17 -0.125 8.560 -3.896 1.00 0.00 N ATOM 0 H GLN A 17 -1.040 6.946 -8.327 1.00 0.00 H new ATOM 0 HA GLN A 17 1.556 7.536 -7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.501 9.024 -7.646 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -1.040 8.301 -6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.643 9.685 -6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.175 10.553 -6.003 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.952 8.297 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.056 8.310 -2.909 1.00 0.00 H new ATOM 282 N LEU A 18 -0.141 5.750 -5.369 1.00 0.00 N ATOM 283 CA LEU A 18 -0.071 4.896 -4.192 1.00 0.00 C ATOM 284 C LEU A 18 0.996 3.819 -4.384 1.00 0.00 C ATOM 285 O LEU A 18 1.882 3.641 -3.560 1.00 0.00 O ATOM 286 CB LEU A 18 -1.432 4.237 -3.989 1.00 0.00 C ATOM 287 CG LEU A 18 -1.821 3.808 -2.577 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.053 2.941 -2.659 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.708 3.068 -1.861 1.00 0.00 C ATOM 0 H LEU A 18 -1.060 5.761 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 18 0.192 5.495 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.194 4.928 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.474 3.355 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.019 4.707 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.344 2.626 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.867 3.507 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.840 2.062 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.041 2.788 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.448 2.170 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.167 3.713 -1.784 1.00 0.00 H new ATOM 301 N SER A 19 0.909 3.107 -5.491 1.00 0.00 N ATOM 302 CA SER A 19 1.848 2.037 -5.778 1.00 0.00 C ATOM 303 C SER A 19 3.275 2.587 -5.844 1.00 0.00 C ATOM 304 O SER A 19 4.254 1.875 -5.604 1.00 0.00 O ATOM 305 CB SER A 19 1.448 1.359 -7.089 1.00 0.00 C ATOM 306 OG SER A 19 1.898 2.092 -8.217 1.00 0.00 O ATOM 0 H SER A 19 0.197 3.249 -6.208 1.00 0.00 H new ATOM 0 HA SER A 19 1.821 1.295 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.864 0.352 -7.120 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.364 1.257 -7.130 1.00 0.00 H new ATOM 0 HG SER A 19 1.579 3.017 -8.155 1.00 0.00 H new ATOM 312 N LEU A 20 3.367 3.878 -6.135 1.00 0.00 N ATOM 313 CA LEU A 20 4.637 4.572 -6.230 1.00 0.00 C ATOM 314 C LEU A 20 5.111 5.041 -4.852 1.00 0.00 C ATOM 315 O LEU A 20 6.309 5.066 -4.574 1.00 0.00 O ATOM 316 CB LEU A 20 4.494 5.749 -7.191 1.00 0.00 C ATOM 317 CG LEU A 20 4.130 5.360 -8.618 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.154 6.574 -9.514 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.064 4.284 -9.138 1.00 0.00 C ATOM 0 H LEU A 20 2.557 4.472 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 20 5.392 3.886 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.730 6.425 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.432 6.304 -7.207 1.00 0.00 H new ATOM 0 HG LEU A 20 3.119 4.953 -8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.892 6.281 -10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.435 7.308 -9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.153 7.011 -9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.785 4.022 -10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.089 4.655 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.990 3.401 -8.504 1.00 0.00 H new ATOM 331 N ASP A 21 4.166 5.398 -3.985 1.00 0.00 N ATOM 332 CA ASP A 21 4.498 5.813 -2.623 1.00 0.00 C ATOM 333 C ASP A 21 4.799 4.600 -1.743 1.00 0.00 C ATOM 334 O ASP A 21 5.656 4.662 -0.859 1.00 0.00 O ATOM 335 CB ASP A 21 3.418 6.731 -2.025 1.00 0.00 C ATOM 336 CG ASP A 21 2.047 6.107 -1.833 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.952 5.002 -1.279 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.050 6.771 -2.189 1.00 0.00 O ATOM 0 H ASP A 21 3.169 5.409 -4.199 1.00 0.00 H new ATOM 0 HA ASP A 21 5.409 6.411 -2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.770 7.092 -1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.312 7.603 -2.671 1.00 0.00 H new ATOM 343 N ILE A 22 4.136 3.487 -2.015 1.00 0.00 N ATOM 344 CA ILE A 22 4.490 2.218 -1.402 1.00 0.00 C ATOM 345 C ILE A 22 5.891 1.805 -1.824 1.00 0.00 C ATOM 346 O ILE A 22 6.662 1.257 -1.036 1.00 0.00 O ATOM 347 CB ILE A 22 3.465 1.132 -1.786 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.362 1.084 -0.737 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.111 -0.237 -1.977 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.178 0.237 -1.140 1.00 0.00 C ATOM 0 H ILE A 22 3.347 3.438 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 22 4.475 2.335 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 22 3.033 1.398 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.775 0.696 0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.020 2.099 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.346 -0.966 -2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.855 -0.181 -2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.594 -0.544 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.433 0.250 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.739 0.637 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.506 -0.788 -1.313 1.00 0.00 H new ATOM 362 N ASN A 23 6.215 2.097 -3.075 1.00 0.00 N ATOM 363 CA ASN A 23 7.533 1.805 -3.619 1.00 0.00 C ATOM 364 C ASN A 23 8.610 2.626 -2.904 1.00 0.00 C ATOM 365 O ASN A 23 9.782 2.256 -2.882 1.00 0.00 O ATOM 366 CB ASN A 23 7.544 2.101 -5.124 1.00 0.00 C ATOM 367 CG ASN A 23 8.904 1.914 -5.771 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.243 0.820 -6.218 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.675 2.988 -5.859 1.00 0.00 N ATOM 0 H ASN A 23 5.578 2.539 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 23 7.754 0.750 -3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.823 1.450 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.212 3.126 -5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.587 2.925 -6.311 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.356 3.878 -5.475 1.00 0.00 H new ATOM 376 N LYS A 24 8.194 3.738 -2.312 1.00 0.00 N ATOM 377 CA LYS A 24 9.103 4.633 -1.607 1.00 0.00 C ATOM 378 C LYS A 24 9.402 4.138 -0.194 1.00 0.00 C ATOM 379 O LYS A 24 10.361 4.585 0.438 1.00 0.00 O ATOM 380 CB LYS A 24 8.494 6.029 -1.544 1.00 0.00 C ATOM 381 CG LYS A 24 8.666 6.845 -2.817 1.00 0.00 C ATOM 382 CD LYS A 24 7.814 8.105 -2.784 1.00 0.00 C ATOM 383 CE LYS A 24 8.143 9.058 -3.929 1.00 0.00 C ATOM 384 NZ LYS A 24 9.555 9.520 -3.892 1.00 0.00 N ATOM 0 H LYS A 24 7.221 4.044 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 24 10.044 4.659 -2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.430 5.939 -1.325 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.945 6.573 -0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.715 7.115 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.390 6.239 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.761 7.830 -2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.964 8.617 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.951 8.560 -4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.479 9.921 -3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.656 10.374 -4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.823 9.738 -2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.175 8.771 -4.262 1.00 0.00 H new ATOM 398 N LEU A 25 8.574 3.228 0.302 1.00 0.00 N ATOM 399 CA LEU A 25 8.746 2.688 1.647 1.00 0.00 C ATOM 400 C LEU A 25 9.897 1.687 1.712 1.00 0.00 C ATOM 401 O LEU A 25 10.071 0.868 0.807 1.00 0.00 O ATOM 402 CB LEU A 25 7.461 2.011 2.127 1.00 0.00 C ATOM 403 CG LEU A 25 6.296 2.949 2.423 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.267 2.219 3.248 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.770 4.176 3.167 1.00 0.00 C ATOM 0 H LEU A 25 7.776 2.847 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 25 8.982 3.529 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.144 1.294 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.686 1.443 3.030 1.00 0.00 H new ATOM 0 HG LEU A 25 5.855 3.270 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.432 2.886 3.462 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.906 1.352 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.718 1.890 4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.922 4.830 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.227 3.876 4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.504 4.708 2.561 1.00 0.00 H new ATOM 417 N PRO A 26 10.712 1.750 2.784 1.00 0.00 N ATOM 418 CA PRO A 26 11.758 0.758 3.034 1.00 0.00 C ATOM 419 C PRO A 26 11.166 -0.572 3.500 1.00 0.00 C ATOM 420 O PRO A 26 10.022 -0.615 3.957 1.00 0.00 O ATOM 421 CB PRO A 26 12.599 1.386 4.148 1.00 0.00 C ATOM 422 CG PRO A 26 11.664 2.307 4.858 1.00 0.00 C ATOM 423 CD PRO A 26 10.681 2.800 3.824 1.00 0.00 C ATOM 0 HA PRO A 26 12.334 0.531 2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.994 0.626 4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.454 1.926 3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.149 1.789 5.667 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.206 3.140 5.307 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.682 2.918 4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.974 3.770 3.423 1.00 0.00 H new ATOM 431 N GLY A 27 11.956 -1.637 3.408 1.00 0.00 N ATOM 432 CA GLY A 27 11.471 -2.985 3.680 1.00 0.00 C ATOM 433 C GLY A 27 10.690 -3.117 4.978 1.00 0.00 C ATOM 434 O GLY A 27 9.579 -3.648 4.989 1.00 0.00 O ATOM 0 H GLY A 27 12.941 -1.591 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.836 -3.304 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.322 -3.666 3.710 1.00 0.00 H new ATOM 438 N GLU A 28 11.263 -2.635 6.071 1.00 0.00 N ATOM 439 CA GLU A 28 10.616 -2.719 7.377 1.00 0.00 C ATOM 440 C GLU A 28 9.293 -1.959 7.401 1.00 0.00 C ATOM 441 O GLU A 28 8.289 -2.451 7.924 1.00 0.00 O ATOM 442 CB GLU A 28 11.533 -2.205 8.492 1.00 0.00 C ATOM 443 CG GLU A 28 12.566 -1.191 8.050 1.00 0.00 C ATOM 444 CD GLU A 28 13.773 -1.832 7.402 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.649 -2.327 8.140 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.842 -1.856 6.159 1.00 0.00 O ATOM 0 H GLU A 28 12.176 -2.181 6.082 1.00 0.00 H new ATOM 0 HA GLU A 28 10.409 -3.774 7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.917 -1.758 9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.048 -3.055 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.108 -0.495 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.889 -0.608 8.912 1.00 0.00 H new ATOM 453 N LYS A 29 9.276 -0.774 6.812 1.00 0.00 N ATOM 454 CA LYS A 29 8.080 0.055 6.834 1.00 0.00 C ATOM 455 C LYS A 29 7.035 -0.489 5.866 1.00 0.00 C ATOM 456 O LYS A 29 5.834 -0.311 6.060 1.00 0.00 O ATOM 457 CB LYS A 29 8.415 1.499 6.458 1.00 0.00 C ATOM 458 CG LYS A 29 8.664 2.435 7.634 1.00 0.00 C ATOM 459 CD LYS A 29 9.808 1.972 8.519 1.00 0.00 C ATOM 460 CE LYS A 29 10.567 3.156 9.098 1.00 0.00 C ATOM 461 NZ LYS A 29 9.671 4.115 9.799 1.00 0.00 N ATOM 0 H LYS A 29 10.069 -0.367 6.317 1.00 0.00 H new ATOM 0 HA LYS A 29 7.678 0.035 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.301 1.496 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.596 1.901 5.861 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.883 3.434 7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.755 2.511 8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.419 1.355 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.489 1.347 7.941 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.323 2.794 9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.093 3.674 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.245 4.810 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.077 4.608 9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.064 3.598 10.467 1.00 0.00 H new ATOM 475 N LEU A 30 7.491 -1.174 4.836 1.00 0.00 N ATOM 476 CA LEU A 30 6.589 -1.698 3.828 1.00 0.00 C ATOM 477 C LEU A 30 5.983 -3.032 4.262 1.00 0.00 C ATOM 478 O LEU A 30 4.994 -3.488 3.695 1.00 0.00 O ATOM 479 CB LEU A 30 7.299 -1.745 2.460 1.00 0.00 C ATOM 480 CG LEU A 30 7.295 -3.052 1.661 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.937 -2.784 0.316 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.063 -4.161 2.366 1.00 0.00 C ATOM 0 H LEU A 30 8.477 -1.381 4.675 1.00 0.00 H new ATOM 0 HA LEU A 30 5.739 -1.026 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.852 -0.975 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.339 -1.461 2.620 1.00 0.00 H new ATOM 0 HG LEU A 30 6.263 -3.386 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.946 -3.702 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.368 -2.019 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.960 -2.438 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.032 -5.067 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.099 -3.854 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.609 -4.358 3.337 1.00 0.00 H new ATOM 494 N GLY A 31 6.553 -3.639 5.294 1.00 0.00 N ATOM 495 CA GLY A 31 5.926 -4.809 5.884 1.00 0.00 C ATOM 496 C GLY A 31 4.618 -4.442 6.562 1.00 0.00 C ATOM 497 O GLY A 31 3.808 -5.309 6.883 1.00 0.00 O ATOM 0 H GLY A 31 7.428 -3.348 5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.742 -5.556 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.602 -5.261 6.610 1.00 0.00 H new ATOM 501 N ARG A 32 4.413 -3.145 6.790 1.00 0.00 N ATOM 502 CA ARG A 32 3.142 -2.669 7.320 1.00 0.00 C ATOM 503 C ARG A 32 2.067 -2.663 6.248 1.00 0.00 C ATOM 504 O ARG A 32 0.932 -3.028 6.526 1.00 0.00 O ATOM 505 CB ARG A 32 3.251 -1.271 7.910 1.00 0.00 C ATOM 506 CG ARG A 32 1.932 -0.752 8.457 1.00 0.00 C ATOM 507 CD ARG A 32 2.026 -0.460 9.943 1.00 0.00 C ATOM 508 NE ARG A 32 2.282 -1.668 10.725 1.00 0.00 N ATOM 509 CZ ARG A 32 1.870 -1.845 11.980 1.00 0.00 C ATOM 510 NH1 ARG A 32 1.189 -0.891 12.604 1.00 0.00 N ATOM 511 NH2 ARG A 32 2.141 -2.977 12.613 1.00 0.00 N ATOM 0 H ARG A 32 5.104 -2.415 6.617 1.00 0.00 H new ATOM 0 HA ARG A 32 2.867 -3.363 8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.992 -1.277 8.709 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.614 -0.587 7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.647 0.155 7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.147 -1.487 8.278 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.823 0.262 10.121 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.098 0.000 10.281 1.00 0.00 H new ATOM 0 HE ARG A 32 2.808 -2.422 10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.978 -0.017 12.123 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.876 -1.033 13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.665 -3.713 12.140 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.826 -3.112 13.574 1.00 0.00 H new ATOM 525 N VAL A 33 2.404 -2.234 5.032 1.00 0.00 N ATOM 526 CA VAL A 33 1.415 -2.232 3.956 1.00 0.00 C ATOM 527 C VAL A 33 0.920 -3.642 3.708 1.00 0.00 C ATOM 528 O VAL A 33 -0.281 -3.873 3.644 1.00 0.00 O ATOM 529 CB VAL A 33 1.919 -1.606 2.633 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.203 -0.299 2.384 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.408 -1.353 2.637 1.00 0.00 C ATOM 0 H VAL A 33 3.329 -1.892 4.772 1.00 0.00 H new ATOM 0 HA VAL A 33 0.599 -1.595 4.297 1.00 0.00 H new ATOM 0 HB VAL A 33 1.706 -2.324 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.560 0.140 1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.130 -0.480 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.402 0.387 3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.705 -0.914 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.658 -0.668 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.937 -2.295 2.783 1.00 0.00 H new ATOM 541 N VAL A 34 1.853 -4.580 3.601 1.00 0.00 N ATOM 542 CA VAL A 34 1.514 -6.008 3.552 1.00 0.00 C ATOM 543 C VAL A 34 0.564 -6.368 4.703 1.00 0.00 C ATOM 544 O VAL A 34 -0.407 -7.087 4.511 1.00 0.00 O ATOM 545 CB VAL A 34 2.779 -6.927 3.614 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.032 -6.187 3.192 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.965 -7.563 4.984 1.00 0.00 C ATOM 0 H VAL A 34 2.852 -4.384 3.546 1.00 0.00 H new ATOM 0 HA VAL A 34 1.024 -6.183 2.594 1.00 0.00 H new ATOM 0 HB VAL A 34 2.606 -7.733 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.888 -6.859 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.917 -5.831 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.193 -5.337 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.856 -8.191 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.079 -6.782 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.094 -8.172 5.224 1.00 0.00 H new ATOM 557 N HIS A 35 0.834 -5.825 5.889 1.00 0.00 N ATOM 558 CA HIS A 35 0.065 -6.154 7.084 1.00 0.00 C ATOM 559 C HIS A 35 -1.326 -5.535 7.023 1.00 0.00 C ATOM 560 O HIS A 35 -2.320 -6.195 7.319 1.00 0.00 O ATOM 561 CB HIS A 35 0.817 -5.683 8.335 1.00 0.00 C ATOM 562 CG HIS A 35 0.134 -6.021 9.623 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.278 -7.233 10.259 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.700 -5.291 10.396 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.437 -7.234 11.366 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.041 -6.067 11.474 1.00 0.00 N ATOM 0 H HIS A 35 1.584 -5.152 6.046 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.056 -7.236 7.134 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.812 -6.128 8.336 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.951 -4.603 8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.036 -4.283 10.201 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.515 -8.052 12.066 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.660 -5.787 12.235 1.00 0.00 H new ATOM 575 N ILE A 36 -1.390 -4.265 6.645 1.00 0.00 N ATOM 576 CA ILE A 36 -2.662 -3.576 6.469 1.00 0.00 C ATOM 577 C ILE A 36 -3.483 -4.290 5.413 1.00 0.00 C ATOM 578 O ILE A 36 -4.662 -4.569 5.597 1.00 0.00 O ATOM 579 CB ILE A 36 -2.458 -2.112 6.027 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.671 -1.357 7.101 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.807 -1.452 5.764 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.124 -0.027 6.643 1.00 0.00 C ATOM 0 H ILE A 36 -0.571 -3.688 6.453 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.178 -3.582 7.429 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.886 -2.086 5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.318 -1.194 7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.843 -1.982 7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.652 -0.419 5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.330 -1.994 4.976 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.405 -1.471 6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.580 0.444 7.462 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.450 -0.182 5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.947 0.618 6.335 1.00 0.00 H new ATOM 594 N ILE A 37 -2.823 -4.587 4.315 1.00 0.00 N ATOM 595 CA ILE A 37 -3.426 -5.285 3.208 1.00 0.00 C ATOM 596 C ILE A 37 -3.926 -6.671 3.632 1.00 0.00 C ATOM 597 O ILE A 37 -5.110 -6.922 3.589 1.00 0.00 O ATOM 598 CB ILE A 37 -2.422 -5.360 2.049 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.339 -4.006 1.353 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.789 -6.451 1.071 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.078 -3.818 0.559 1.00 0.00 C ATOM 0 H ILE A 37 -1.843 -4.347 4.167 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.303 -4.735 2.867 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.442 -5.610 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.197 -3.894 0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.409 -3.217 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.058 -6.477 0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.796 -7.412 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.778 -6.252 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.086 -2.834 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.216 -3.898 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.016 -4.586 -0.212 1.00 0.00 H new ATOM 613 N GLN A 38 -3.031 -7.546 4.077 1.00 0.00 N ATOM 614 CA GLN A 38 -3.416 -8.896 4.533 1.00 0.00 C ATOM 615 C GLN A 38 -4.578 -8.866 5.535 1.00 0.00 C ATOM 616 O GLN A 38 -5.460 -9.722 5.495 1.00 0.00 O ATOM 617 CB GLN A 38 -2.228 -9.603 5.193 1.00 0.00 C ATOM 618 CG GLN A 38 -1.123 -9.993 4.236 1.00 0.00 C ATOM 619 CD GLN A 38 0.052 -10.640 4.945 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.202 -10.483 4.543 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.228 -11.387 6.003 1.00 0.00 N ATOM 0 H GLN A 38 -2.031 -7.354 4.135 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.736 -9.439 3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.813 -8.950 5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.589 -10.500 5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.518 -10.682 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.779 -9.107 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.195 -11.496 6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.523 -11.853 6.511 1.00 0.00 H new ATOM 630 N SER A 39 -4.570 -7.890 6.436 1.00 0.00 N ATOM 631 CA SER A 39 -5.582 -7.815 7.484 1.00 0.00 C ATOM 632 C SER A 39 -6.916 -7.306 6.936 1.00 0.00 C ATOM 633 O SER A 39 -7.976 -7.859 7.240 1.00 0.00 O ATOM 634 CB SER A 39 -5.095 -6.915 8.623 1.00 0.00 C ATOM 635 OG SER A 39 -4.842 -5.598 8.174 1.00 0.00 O ATOM 0 H SER A 39 -3.877 -7.142 6.462 1.00 0.00 H new ATOM 0 HA SER A 39 -5.744 -8.822 7.869 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.843 -6.892 9.415 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.186 -7.334 9.055 1.00 0.00 H new ATOM 0 HG SER A 39 -3.950 -5.556 7.770 1.00 0.00 H new ATOM 641 N ARG A 40 -6.858 -6.254 6.130 1.00 0.00 N ATOM 642 CA ARG A 40 -8.061 -5.662 5.547 1.00 0.00 C ATOM 643 C ARG A 40 -8.540 -6.471 4.348 1.00 0.00 C ATOM 644 O ARG A 40 -9.699 -6.377 3.940 1.00 0.00 O ATOM 645 CB ARG A 40 -7.798 -4.199 5.170 1.00 0.00 C ATOM 646 CG ARG A 40 -7.484 -3.363 6.385 1.00 0.00 C ATOM 647 CD ARG A 40 -7.187 -1.919 6.053 1.00 0.00 C ATOM 648 NE ARG A 40 -8.406 -1.112 6.078 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.486 0.105 6.619 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.398 0.715 7.066 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.659 0.707 6.723 1.00 0.00 N ATOM 0 H ARG A 40 -5.990 -5.790 5.863 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.858 -5.683 6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.967 -4.147 4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.671 -3.790 4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.327 -3.405 7.075 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.627 -3.794 6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.468 -1.519 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.726 -1.857 5.067 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.248 -1.504 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.491 0.254 6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.468 1.645 7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.503 0.241 6.390 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.720 1.637 7.137 1.00 0.00 H new ATOM 665 N GLU A 41 -7.640 -7.278 3.810 1.00 0.00 N ATOM 666 CA GLU A 41 -7.935 -8.170 2.701 1.00 0.00 C ATOM 667 C GLU A 41 -7.680 -9.614 3.118 1.00 0.00 C ATOM 668 O GLU A 41 -6.664 -10.198 2.737 1.00 0.00 O ATOM 669 CB GLU A 41 -7.029 -7.866 1.514 1.00 0.00 C ATOM 670 CG GLU A 41 -6.863 -6.394 1.206 1.00 0.00 C ATOM 671 CD GLU A 41 -8.106 -5.762 0.611 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.843 -6.463 -0.116 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.351 -4.563 0.871 1.00 0.00 O ATOM 0 H GLU A 41 -6.674 -7.333 4.134 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.979 -8.025 2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.046 -8.296 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.429 -8.365 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.598 -5.866 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.032 -6.266 0.513 1.00 0.00 H new ATOM 680 N PRO A 42 -8.582 -10.228 3.893 1.00 0.00 N ATOM 681 CA PRO A 42 -8.364 -11.585 4.374 1.00 0.00 C ATOM 682 C PRO A 42 -8.405 -12.614 3.244 1.00 0.00 C ATOM 683 O PRO A 42 -8.182 -13.804 3.465 1.00 0.00 O ATOM 684 CB PRO A 42 -9.494 -11.845 5.374 1.00 0.00 C ATOM 685 CG PRO A 42 -10.436 -10.681 5.293 1.00 0.00 C ATOM 686 CD PRO A 42 -9.857 -9.654 4.348 1.00 0.00 C ATOM 0 HA PRO A 42 -7.376 -11.681 4.824 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.011 -12.775 5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.097 -11.949 6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.414 -11.010 4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.583 -10.245 6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.527 -9.468 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.703 -8.699 4.850 1.00 0.00 H new ATOM 694 N SER A 43 -8.686 -12.149 2.034 1.00 0.00 N ATOM 695 CA SER A 43 -8.652 -13.005 0.860 1.00 0.00 C ATOM 696 C SER A 43 -7.211 -13.286 0.437 1.00 0.00 C ATOM 697 O SER A 43 -6.952 -14.202 -0.345 1.00 0.00 O ATOM 698 CB SER A 43 -9.426 -12.353 -0.286 1.00 0.00 C ATOM 699 OG SER A 43 -10.773 -12.112 0.090 1.00 0.00 O ATOM 0 H SER A 43 -8.941 -11.180 1.842 1.00 0.00 H new ATOM 0 HA SER A 43 -9.124 -13.955 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.948 -11.414 -0.566 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.398 -12.999 -1.164 1.00 0.00 H new ATOM 0 HG SER A 43 -11.251 -11.693 -0.656 1.00 0.00 H new ATOM 705 N LEU A 44 -6.271 -12.502 0.961 1.00 0.00 N ATOM 706 CA LEU A 44 -4.861 -12.702 0.656 1.00 0.00 C ATOM 707 C LEU A 44 -4.054 -12.958 1.930 1.00 0.00 C ATOM 708 O LEU A 44 -2.851 -12.714 1.985 1.00 0.00 O ATOM 709 CB LEU A 44 -4.313 -11.506 -0.142 1.00 0.00 C ATOM 710 CG LEU A 44 -4.421 -10.137 0.505 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.130 -9.772 1.196 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.771 -9.097 -0.545 1.00 0.00 C ATOM 0 H LEU A 44 -6.462 -11.727 1.596 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.761 -13.591 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.262 -11.696 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.834 -11.470 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.212 -10.165 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.228 -8.787 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.909 -10.510 1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.320 -9.755 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.847 -8.117 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.993 -9.074 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.725 -9.353 -1.007 1.00 0.00 H new ATOM 724 N LYS A 45 -4.726 -13.489 2.945 1.00 0.00 N ATOM 725 CA LYS A 45 -4.086 -13.806 4.222 1.00 0.00 C ATOM 726 C LYS A 45 -3.110 -14.978 4.082 1.00 0.00 C ATOM 727 O LYS A 45 -2.222 -15.155 4.915 1.00 0.00 O ATOM 728 CB LYS A 45 -5.138 -14.138 5.280 1.00 0.00 C ATOM 729 CG LYS A 45 -5.946 -15.387 4.971 1.00 0.00 C ATOM 730 CD LYS A 45 -6.943 -15.687 6.065 1.00 0.00 C ATOM 731 CE LYS A 45 -6.219 -16.050 7.340 1.00 0.00 C ATOM 732 NZ LYS A 45 -7.139 -16.598 8.369 1.00 0.00 N ATOM 0 H LYS A 45 -5.721 -13.711 2.910 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.524 -12.926 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.644 -14.266 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.818 -13.292 5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.471 -15.257 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.273 -16.236 4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.581 -14.820 6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.593 -16.507 5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.444 -16.784 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.718 -15.167 7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.600 -16.833 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.864 -15.889 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.598 -17.456 8.002 1.00 0.00 H new ATOM 746 N ASN A 46 -3.285 -15.784 3.036 1.00 0.00 N ATOM 747 CA ASN A 46 -2.400 -16.922 2.792 1.00 0.00 C ATOM 748 C ASN A 46 -1.076 -16.436 2.205 1.00 0.00 C ATOM 749 O ASN A 46 -0.085 -17.168 2.165 1.00 0.00 O ATOM 750 CB ASN A 46 -3.076 -17.923 1.846 1.00 0.00 C ATOM 751 CG ASN A 46 -2.283 -19.206 1.646 1.00 0.00 C ATOM 752 OD1 ASN A 46 -2.325 -19.805 0.573 1.00 0.00 O ATOM 753 ND2 ASN A 46 -1.574 -19.651 2.675 1.00 0.00 N ATOM 0 H ASN A 46 -4.028 -15.671 2.347 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.197 -17.425 3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.061 -18.173 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.231 -17.447 0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.041 -20.516 2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.562 -19.128 3.551 1.00 0.00 H new ATOM 760 N SER A 47 -1.070 -15.191 1.756 1.00 0.00 N ATOM 761 CA SER A 47 0.138 -14.566 1.251 1.00 0.00 C ATOM 762 C SER A 47 1.052 -14.188 2.414 1.00 0.00 C ATOM 763 O SER A 47 0.593 -13.679 3.440 1.00 0.00 O ATOM 764 CB SER A 47 -0.213 -13.330 0.423 1.00 0.00 C ATOM 765 OG SER A 47 -1.023 -13.670 -0.693 1.00 0.00 O ATOM 0 H SER A 47 -1.895 -14.592 1.732 1.00 0.00 H new ATOM 0 HA SER A 47 0.662 -15.273 0.608 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.737 -12.607 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.702 -12.849 0.078 1.00 0.00 H new ATOM 0 HG SER A 47 -1.233 -12.860 -1.203 1.00 0.00 H new ATOM 771 N ASN A 48 2.338 -14.458 2.256 1.00 0.00 N ATOM 772 CA ASN A 48 3.317 -14.179 3.296 1.00 0.00 C ATOM 773 C ASN A 48 3.711 -12.710 3.273 1.00 0.00 C ATOM 774 O ASN A 48 3.758 -12.089 2.214 1.00 0.00 O ATOM 775 CB ASN A 48 4.558 -15.050 3.099 1.00 0.00 C ATOM 776 CG ASN A 48 4.263 -16.526 3.285 1.00 0.00 C ATOM 777 OD1 ASN A 48 3.887 -17.220 2.339 1.00 0.00 O ATOM 778 ND2 ASN A 48 4.446 -17.022 4.497 1.00 0.00 N ATOM 0 H ASN A 48 2.731 -14.873 1.411 1.00 0.00 H new ATOM 0 HA ASN A 48 2.869 -14.409 4.263 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.959 -14.886 2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.329 -14.744 3.806 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.275 -18.012 4.674 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.758 -16.415 5.255 1.00 0.00 H new ATOM 785 N PRO A 49 4.014 -12.147 4.456 1.00 0.00 N ATOM 786 CA PRO A 49 4.329 -10.720 4.613 1.00 0.00 C ATOM 787 C PRO A 49 5.575 -10.292 3.848 1.00 0.00 C ATOM 788 O PRO A 49 5.772 -9.110 3.575 1.00 0.00 O ATOM 789 CB PRO A 49 4.558 -10.563 6.120 1.00 0.00 C ATOM 790 CG PRO A 49 4.857 -11.932 6.614 1.00 0.00 C ATOM 791 CD PRO A 49 4.059 -12.857 5.747 1.00 0.00 C ATOM 0 HA PRO A 49 3.529 -10.096 4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.384 -9.882 6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.677 -10.151 6.611 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.923 -12.150 6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.579 -12.040 7.662 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.535 -13.833 5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.060 -13.026 6.150 1.00 0.00 H new ATOM 799 N ASP A 50 6.415 -11.257 3.513 1.00 0.00 N ATOM 800 CA ASP A 50 7.635 -10.982 2.765 1.00 0.00 C ATOM 801 C ASP A 50 7.468 -11.345 1.302 1.00 0.00 C ATOM 802 O ASP A 50 8.414 -11.251 0.518 1.00 0.00 O ATOM 803 CB ASP A 50 8.813 -11.756 3.352 1.00 0.00 C ATOM 804 CG ASP A 50 9.269 -11.189 4.676 1.00 0.00 C ATOM 805 OD1 ASP A 50 8.720 -11.596 5.718 1.00 0.00 O ATOM 806 OD2 ASP A 50 10.176 -10.330 4.678 1.00 0.00 O ATOM 0 H ASP A 50 6.276 -12.240 3.747 1.00 0.00 H new ATOM 0 HA ASP A 50 7.836 -9.913 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.529 -12.800 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.644 -11.739 2.647 1.00 0.00 H new ATOM 811 N GLU A 51 6.265 -11.758 0.935 1.00 0.00 N ATOM 812 CA GLU A 51 5.987 -12.173 -0.430 1.00 0.00 C ATOM 813 C GLU A 51 4.637 -11.624 -0.860 1.00 0.00 C ATOM 814 O GLU A 51 3.965 -12.198 -1.719 1.00 0.00 O ATOM 815 CB GLU A 51 5.985 -13.704 -0.541 1.00 0.00 C ATOM 816 CG GLU A 51 7.243 -14.367 0.003 1.00 0.00 C ATOM 817 CD GLU A 51 7.260 -15.864 -0.209 1.00 0.00 C ATOM 818 OE1 GLU A 51 7.692 -16.315 -1.291 1.00 0.00 O ATOM 819 OE2 GLU A 51 6.856 -16.603 0.709 1.00 0.00 O ATOM 0 H GLU A 51 5.465 -11.815 1.565 1.00 0.00 H new ATOM 0 HA GLU A 51 6.767 -11.781 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.120 -14.096 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.864 -13.982 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.116 -13.927 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.327 -14.155 1.069 1.00 0.00 H new ATOM 826 N ILE A 52 4.246 -10.510 -0.253 1.00 0.00 N ATOM 827 CA ILE A 52 2.923 -9.960 -0.467 1.00 0.00 C ATOM 828 C ILE A 52 2.787 -9.372 -1.860 1.00 0.00 C ATOM 829 O ILE A 52 3.747 -8.871 -2.453 1.00 0.00 O ATOM 830 CB ILE A 52 2.545 -8.915 0.614 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.050 -8.976 0.913 1.00 0.00 C ATOM 832 CG2 ILE A 52 2.910 -7.512 0.179 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.588 -10.312 1.411 1.00 0.00 C ATOM 0 H ILE A 52 4.829 -9.974 0.390 1.00 0.00 H new ATOM 0 HA ILE A 52 2.219 -10.788 -0.379 1.00 0.00 H new ATOM 0 HB ILE A 52 3.110 -9.158 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.806 -8.217 1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.497 -8.725 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.631 -6.805 0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.984 -7.453 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.378 -7.266 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.485 -10.278 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.799 -11.073 0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.113 -10.558 2.334 1.00 0.00 H new ATOM 845 N GLU A 53 1.586 -9.481 -2.377 1.00 0.00 N ATOM 846 CA GLU A 53 1.250 -8.949 -3.679 1.00 0.00 C ATOM 847 C GLU A 53 0.210 -7.860 -3.477 1.00 0.00 C ATOM 848 O GLU A 53 -0.986 -8.147 -3.359 1.00 0.00 O ATOM 849 CB GLU A 53 0.697 -10.090 -4.557 1.00 0.00 C ATOM 850 CG GLU A 53 0.317 -9.703 -5.980 1.00 0.00 C ATOM 851 CD GLU A 53 1.517 -9.382 -6.844 1.00 0.00 C ATOM 852 OE1 GLU A 53 2.098 -10.325 -7.423 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.860 -8.198 -6.986 1.00 0.00 O ATOM 0 H GLU A 53 0.809 -9.944 -1.905 1.00 0.00 H new ATOM 0 HA GLU A 53 2.123 -8.528 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.443 -10.883 -4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.182 -10.508 -4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.244 -10.519 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.345 -8.838 -5.951 1.00 0.00 H new ATOM 860 N ILE A 54 0.659 -6.611 -3.404 1.00 0.00 N ATOM 861 CA ILE A 54 -0.249 -5.508 -3.231 1.00 0.00 C ATOM 862 C ILE A 54 -1.031 -5.293 -4.519 1.00 0.00 C ATOM 863 O ILE A 54 -0.521 -4.709 -5.483 1.00 0.00 O ATOM 864 CB ILE A 54 0.501 -4.213 -2.884 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.409 -4.393 -1.665 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.487 -3.094 -2.642 1.00 0.00 C ATOM 867 CD1 ILE A 54 2.029 -3.088 -1.204 1.00 0.00 C ATOM 0 H ILE A 54 1.643 -6.349 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.922 -5.750 -2.408 1.00 0.00 H new ATOM 0 HB ILE A 54 1.137 -3.957 -3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.833 -4.826 -0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.201 -5.102 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.052 -2.179 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.083 -2.934 -3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.144 -3.361 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.663 -3.273 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.630 -2.666 -2.010 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.240 -2.386 -0.933 1.00 0.00 H new ATOM 879 N ASP A 55 -2.258 -5.776 -4.538 1.00 0.00 N ATOM 880 CA ASP A 55 -3.097 -5.663 -5.718 1.00 0.00 C ATOM 881 C ASP A 55 -4.098 -4.541 -5.523 1.00 0.00 C ATOM 882 O ASP A 55 -5.143 -4.719 -4.902 1.00 0.00 O ATOM 883 CB ASP A 55 -3.817 -6.982 -6.002 1.00 0.00 C ATOM 884 CG ASP A 55 -4.581 -6.949 -7.310 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.736 -6.476 -7.318 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.033 -7.399 -8.336 1.00 0.00 O ATOM 0 H ASP A 55 -2.698 -6.251 -3.750 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.467 -5.435 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.089 -7.793 -6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.506 -7.200 -5.186 1.00 0.00 H new ATOM 891 N PHE A 56 -3.768 -3.384 -6.072 1.00 0.00 N ATOM 892 CA PHE A 56 -4.511 -2.157 -5.816 1.00 0.00 C ATOM 893 C PHE A 56 -5.920 -2.185 -6.406 1.00 0.00 C ATOM 894 O PHE A 56 -6.739 -1.313 -6.116 1.00 0.00 O ATOM 895 CB PHE A 56 -3.723 -0.969 -6.356 1.00 0.00 C ATOM 896 CG PHE A 56 -2.396 -0.799 -5.674 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.329 -0.236 -4.417 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.221 -1.207 -6.280 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.135 -0.075 -3.771 1.00 0.00 C ATOM 900 CE2 PHE A 56 -0.010 -1.050 -5.634 1.00 0.00 C ATOM 901 CZ PHE A 56 0.029 -0.479 -4.374 1.00 0.00 C ATOM 0 H PHE A 56 -2.979 -3.267 -6.707 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.634 -2.061 -4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.563 -1.100 -7.426 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.311 -0.060 -6.230 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.239 0.085 -3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.251 -1.651 -7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.108 0.370 -2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.904 -1.372 -6.111 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.974 -0.352 -3.867 1.00 0.00 H new ATOM 911 N GLU A 57 -6.203 -3.188 -7.220 1.00 0.00 N ATOM 912 CA GLU A 57 -7.520 -3.336 -7.818 1.00 0.00 C ATOM 913 C GLU A 57 -8.451 -4.118 -6.903 1.00 0.00 C ATOM 914 O GLU A 57 -9.670 -3.943 -6.943 1.00 0.00 O ATOM 915 CB GLU A 57 -7.402 -4.028 -9.171 1.00 0.00 C ATOM 916 CG GLU A 57 -6.833 -3.128 -10.248 1.00 0.00 C ATOM 917 CD GLU A 57 -7.731 -1.942 -10.540 1.00 0.00 C ATOM 918 OE1 GLU A 57 -7.646 -0.926 -9.817 1.00 0.00 O ATOM 919 OE2 GLU A 57 -8.535 -2.019 -11.496 1.00 0.00 O ATOM 0 H GLU A 57 -5.537 -3.914 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.946 -2.343 -7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.768 -4.909 -9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.387 -4.379 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.851 -2.770 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.688 -3.705 -11.161 1.00 0.00 H new ATOM 926 N THR A 58 -7.879 -4.983 -6.086 1.00 0.00 N ATOM 927 CA THR A 58 -8.664 -5.764 -5.152 1.00 0.00 C ATOM 928 C THR A 58 -8.664 -5.125 -3.769 1.00 0.00 C ATOM 929 O THR A 58 -9.612 -5.303 -2.999 1.00 0.00 O ATOM 930 CB THR A 58 -8.154 -7.214 -5.079 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.731 -7.228 -4.934 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.542 -7.974 -6.337 1.00 0.00 C ATOM 0 H THR A 58 -6.875 -5.161 -6.051 1.00 0.00 H new ATOM 0 HA THR A 58 -9.691 -5.783 -5.517 1.00 0.00 H new ATOM 0 HB THR A 58 -8.610 -7.697 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.313 -6.992 -5.788 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.175 -8.998 -6.271 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.627 -7.984 -6.436 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.103 -7.486 -7.207 1.00 0.00 H new ATOM 940 N LEU A 59 -7.608 -4.366 -3.470 1.00 0.00 N ATOM 941 CA LEU A 59 -7.525 -3.626 -2.220 1.00 0.00 C ATOM 942 C LEU A 59 -8.717 -2.695 -2.070 1.00 0.00 C ATOM 943 O LEU A 59 -9.022 -1.912 -2.975 1.00 0.00 O ATOM 944 CB LEU A 59 -6.236 -2.831 -2.151 1.00 0.00 C ATOM 945 CG LEU A 59 -4.986 -3.687 -2.115 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.754 -2.827 -1.995 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.068 -4.679 -0.970 1.00 0.00 C ATOM 0 H LEU A 59 -6.799 -4.251 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.535 -4.346 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.184 -2.166 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.257 -2.200 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.915 -4.243 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.868 -3.462 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.695 -2.154 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.806 -2.242 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.165 -5.290 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.160 -4.140 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.938 -5.321 -1.107 1.00 0.00 H new ATOM 959 N LYS A 60 -9.404 -2.807 -0.946 1.00 0.00 N ATOM 960 CA LYS A 60 -10.539 -1.946 -0.656 1.00 0.00 C ATOM 961 C LYS A 60 -10.084 -0.494 -0.559 1.00 0.00 C ATOM 962 O LYS A 60 -8.956 -0.231 -0.136 1.00 0.00 O ATOM 963 CB LYS A 60 -11.204 -2.365 0.659 1.00 0.00 C ATOM 964 CG LYS A 60 -11.763 -3.775 0.648 1.00 0.00 C ATOM 965 CD LYS A 60 -12.177 -4.214 2.032 1.00 0.00 C ATOM 966 CE LYS A 60 -12.339 -5.720 2.107 1.00 0.00 C ATOM 967 NZ LYS A 60 -12.407 -6.197 3.510 1.00 0.00 N ATOM 0 H LYS A 60 -9.195 -3.488 -0.216 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.262 -2.043 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.475 -2.281 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.011 -1.667 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.621 -3.823 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.013 -4.462 0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.431 -3.890 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.116 -3.731 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.245 -6.015 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.503 -6.201 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.921 -7.101 3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.444 -6.332 3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.904 -5.493 4.092 1.00 0.00 H new ATOM 981 N PRO A 61 -10.931 0.468 -0.971 1.00 0.00 N ATOM 982 CA PRO A 61 -10.638 1.894 -0.815 1.00 0.00 C ATOM 983 C PRO A 61 -10.112 2.216 0.580 1.00 0.00 C ATOM 984 O PRO A 61 -9.198 3.026 0.743 1.00 0.00 O ATOM 985 CB PRO A 61 -11.991 2.558 -1.047 1.00 0.00 C ATOM 986 CG PRO A 61 -12.703 1.642 -1.972 1.00 0.00 C ATOM 987 CD PRO A 61 -12.217 0.245 -1.660 1.00 0.00 C ATOM 0 HA PRO A 61 -9.862 2.236 -1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.538 2.681 -0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.876 3.551 -1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.782 1.716 -1.835 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.495 1.901 -3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.923 -0.292 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.088 -0.346 -2.567 1.00 0.00 H new ATOM 995 N SER A 62 -10.685 1.547 1.573 1.00 0.00 N ATOM 996 CA SER A 62 -10.264 1.692 2.954 1.00 0.00 C ATOM 997 C SER A 62 -8.781 1.350 3.117 1.00 0.00 C ATOM 998 O SER A 62 -8.024 2.120 3.712 1.00 0.00 O ATOM 999 CB SER A 62 -11.118 0.790 3.842 1.00 0.00 C ATOM 1000 OG SER A 62 -12.499 1.021 3.618 1.00 0.00 O ATOM 0 H SER A 62 -11.454 0.890 1.440 1.00 0.00 H new ATOM 0 HA SER A 62 -10.400 2.731 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.882 -0.255 3.640 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.880 0.973 4.890 1.00 0.00 H new ATOM 0 HG SER A 62 -13.027 0.432 4.196 1.00 0.00 H new ATOM 1006 N THR A 63 -8.369 0.203 2.575 1.00 0.00 N ATOM 1007 CA THR A 63 -6.977 -0.216 2.644 1.00 0.00 C ATOM 1008 C THR A 63 -6.108 0.756 1.870 1.00 0.00 C ATOM 1009 O THR A 63 -5.125 1.246 2.394 1.00 0.00 O ATOM 1010 CB THR A 63 -6.780 -1.639 2.076 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.935 -2.433 2.384 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.533 -2.309 2.655 1.00 0.00 C ATOM 0 H THR A 63 -8.982 -0.449 2.085 1.00 0.00 H new ATOM 0 HA THR A 63 -6.687 -0.225 3.695 1.00 0.00 H new ATOM 0 HB THR A 63 -6.649 -1.560 0.997 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.920 -3.254 1.849 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.427 -3.308 2.232 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.653 -1.715 2.408 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.629 -2.382 3.738 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.510 1.060 0.640 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.741 1.944 -0.229 1.00 0.00 C ATOM 1022 C LEU A 64 -5.492 3.296 0.429 1.00 0.00 C ATOM 1023 O LEU A 64 -4.363 3.779 0.449 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.465 2.136 -1.556 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.624 0.874 -2.396 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.507 1.151 -3.596 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.265 0.370 -2.839 1.00 0.00 C ATOM 0 H LEU A 64 -7.369 0.705 0.221 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.774 1.475 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.454 2.547 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.924 2.878 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.100 0.103 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.613 0.242 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.489 1.479 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.055 1.932 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.389 -0.532 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.769 1.136 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.658 0.143 -1.963 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.541 3.899 0.975 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.403 5.178 1.654 1.00 0.00 C ATOM 1041 C ARG A 65 -5.558 5.034 2.912 1.00 0.00 C ATOM 1042 O ARG A 65 -4.929 5.991 3.356 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.768 5.757 2.002 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.570 6.220 0.796 1.00 0.00 C ATOM 1045 CD ARG A 65 -7.873 7.349 0.056 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.648 7.806 -1.098 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.172 8.630 -2.032 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -6.924 9.081 -1.956 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -8.936 8.993 -3.055 1.00 0.00 N ATOM 0 H ARG A 65 -7.490 3.525 0.961 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.899 5.865 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.344 5.004 2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.632 6.600 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.724 5.381 0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.556 6.552 1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.711 8.184 0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.891 7.013 -0.276 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.608 7.475 -1.193 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.325 8.797 -1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.565 9.711 -2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.891 8.641 -3.129 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.568 9.624 -3.768 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.548 3.842 3.489 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.690 3.562 4.622 1.00 0.00 C ATOM 1065 C GLU A 66 -3.242 3.451 4.158 1.00 0.00 C ATOM 1066 O GLU A 66 -2.386 4.155 4.662 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.128 2.279 5.323 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.203 1.856 6.446 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.213 2.818 7.615 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.050 2.633 8.522 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.394 3.757 7.639 1.00 0.00 O ATOM 0 H GLU A 66 -6.125 3.056 3.189 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.770 4.382 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.132 2.418 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.186 1.475 4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.494 0.865 6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.187 1.772 6.060 1.00 0.00 H new ATOM 1078 N LEU A 67 -2.993 2.569 3.188 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.668 2.404 2.583 1.00 0.00 C ATOM 1080 C LEU A 67 -1.091 3.773 2.205 1.00 0.00 C ATOM 1081 O LEU A 67 0.015 4.122 2.610 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.780 1.506 1.338 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.675 0.285 1.515 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.886 -0.411 0.195 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.073 -0.682 2.514 1.00 0.00 C ATOM 0 H LEU A 67 -3.703 1.949 2.799 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.997 1.932 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.161 2.102 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.782 1.171 1.057 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.638 0.626 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.527 -1.280 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.359 0.276 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.924 -0.732 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.728 -1.546 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.096 -1.011 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.961 -0.186 3.478 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.882 4.556 1.471 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.496 5.906 1.051 1.00 0.00 C ATOM 1099 C GLU A 68 -1.171 6.796 2.259 1.00 0.00 C ATOM 1100 O GLU A 68 -0.065 7.307 2.385 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.637 6.532 0.240 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.362 7.941 -0.253 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.602 8.633 -0.790 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.691 8.472 -0.198 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.493 9.348 -1.807 1.00 0.00 O ATOM 0 H GLU A 68 -2.808 4.274 1.150 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.599 5.831 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.847 5.895 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.537 6.545 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.948 8.532 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.605 7.905 -1.036 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.141 6.974 3.146 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.962 7.803 4.341 1.00 0.00 C ATOM 1114 C ARG A 69 -0.839 7.280 5.221 1.00 0.00 C ATOM 1115 O ARG A 69 -0.174 8.040 5.928 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.258 7.833 5.135 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.223 8.922 4.701 1.00 0.00 C ATOM 1118 CD ARG A 69 -4.055 10.180 5.536 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.701 10.722 5.451 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.199 11.610 6.303 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -2.950 12.108 7.276 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -0.944 12.010 6.174 1.00 0.00 N ATOM 0 H ARG A 69 -3.067 6.554 3.064 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.696 8.809 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.752 6.866 5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.022 7.970 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.059 9.157 3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.247 8.559 4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.768 10.934 5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.291 9.957 6.577 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.104 10.399 4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.920 11.810 7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.557 12.789 7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.365 11.637 5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.556 12.691 6.826 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.616 5.991 5.164 1.00 0.00 N ATOM 1137 CA TYR A 70 0.417 5.375 5.953 1.00 0.00 C ATOM 1138 C TYR A 70 1.781 5.770 5.420 1.00 0.00 C ATOM 1139 O TYR A 70 2.639 6.238 6.170 1.00 0.00 O ATOM 1140 CB TYR A 70 0.268 3.864 5.943 1.00 0.00 C ATOM 1141 CG TYR A 70 1.484 3.176 6.472 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.891 3.346 7.788 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.238 2.382 5.641 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.029 2.733 8.258 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.376 1.767 6.095 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.771 1.945 7.410 1.00 0.00 C ATOM 1147 OH TYR A 70 4.912 1.339 7.875 1.00 0.00 O ATOM 0 H TYR A 70 -1.141 5.345 4.574 1.00 0.00 H new ATOM 0 HA TYR A 70 0.323 5.723 6.982 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.597 3.582 6.542 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.075 3.526 4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.307 3.967 8.451 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.929 2.241 4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.337 2.869 9.284 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.961 1.148 5.431 1.00 0.00 H new ATOM 0 HH TYR A 70 5.477 1.081 7.117 1.00 0.00 H new ATOM 1157 N VAL A 71 1.978 5.612 4.121 1.00 0.00 N ATOM 1158 CA VAL A 71 3.251 5.956 3.527 1.00 0.00 C ATOM 1159 C VAL A 71 3.517 7.435 3.722 1.00 0.00 C ATOM 1160 O VAL A 71 4.652 7.837 3.895 1.00 0.00 O ATOM 1161 CB VAL A 71 3.326 5.652 2.018 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.863 4.250 1.696 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.537 6.658 1.226 1.00 0.00 C ATOM 0 H VAL A 71 1.281 5.253 3.469 1.00 0.00 H new ATOM 0 HA VAL A 71 3.998 5.340 4.028 1.00 0.00 H new ATOM 0 HB VAL A 71 4.375 5.725 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.934 4.081 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.493 3.530 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.828 4.126 2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.606 6.421 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.493 6.628 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.939 7.656 1.402 1.00 0.00 H new ATOM 1173 N THR A 72 2.457 8.244 3.722 1.00 0.00 N ATOM 1174 CA THR A 72 2.626 9.682 3.810 1.00 0.00 C ATOM 1175 C THR A 72 3.206 10.080 5.158 1.00 0.00 C ATOM 1176 O THR A 72 3.861 11.110 5.282 1.00 0.00 O ATOM 1177 CB THR A 72 1.323 10.456 3.541 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.313 10.134 4.501 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.831 10.135 2.151 1.00 0.00 C ATOM 0 H THR A 72 1.489 7.928 3.663 1.00 0.00 H new ATOM 0 HA THR A 72 3.329 9.956 3.023 1.00 0.00 H new ATOM 0 HB THR A 72 1.533 11.522 3.626 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.569 9.321 4.985 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.092 10.681 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.586 10.427 1.421 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.643 9.064 2.070 1.00 0.00 H new ATOM 1187 N SER A 73 2.993 9.238 6.160 1.00 0.00 N ATOM 1188 CA SER A 73 3.576 9.465 7.469 1.00 0.00 C ATOM 1189 C SER A 73 5.090 9.253 7.395 1.00 0.00 C ATOM 1190 O SER A 73 5.855 9.795 8.194 1.00 0.00 O ATOM 1191 CB SER A 73 2.940 8.523 8.493 1.00 0.00 C ATOM 1192 OG SER A 73 3.466 7.210 8.397 1.00 0.00 O ATOM 0 H SER A 73 2.423 8.395 6.089 1.00 0.00 H new ATOM 0 HA SER A 73 3.383 10.490 7.786 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.110 8.910 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.861 8.495 8.340 1.00 0.00 H new ATOM 0 HG SER A 73 3.280 6.847 7.506 1.00 0.00 H new ATOM 1198 N CYS A 74 5.508 8.465 6.411 1.00 0.00 N ATOM 1199 CA CYS A 74 6.923 8.178 6.188 1.00 0.00 C ATOM 1200 C CYS A 74 7.507 9.046 5.063 1.00 0.00 C ATOM 1201 O CYS A 74 8.698 9.358 5.062 1.00 0.00 O ATOM 1202 CB CYS A 74 7.112 6.687 5.868 1.00 0.00 C ATOM 1203 SG CYS A 74 8.806 6.222 5.463 1.00 0.00 S ATOM 0 H CYS A 74 4.881 8.009 5.748 1.00 0.00 H new ATOM 0 HA CYS A 74 7.463 8.421 7.103 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.782 6.099 6.724 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.465 6.423 5.031 1.00 0.00 H new ATOM 0 HG CYS A 74 9.496 7.290 5.190 1.00 0.00 H new ATOM 1209 N LEU A 75 6.664 9.425 4.110 1.00 0.00 N ATOM 1210 CA LEU A 75 7.116 10.103 2.903 1.00 0.00 C ATOM 1211 C LEU A 75 6.874 11.608 2.950 1.00 0.00 C ATOM 1212 O LEU A 75 7.631 12.381 2.366 1.00 0.00 O ATOM 1213 CB LEU A 75 6.396 9.510 1.693 1.00 0.00 C ATOM 1214 CG LEU A 75 6.500 7.997 1.549 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.970 7.577 0.194 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.937 7.530 1.736 1.00 0.00 C ATOM 0 H LEU A 75 5.656 9.272 4.152 1.00 0.00 H new ATOM 0 HA LEU A 75 8.193 9.951 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.342 9.781 1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.796 9.972 0.791 1.00 0.00 H new ATOM 0 HG LEU A 75 5.897 7.528 2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.046 6.494 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.926 7.878 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.556 8.056 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.984 6.446 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.572 7.997 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.285 7.811 2.730 1.00 0.00 H new