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 169:sc= -2.8 (180deg=-3.57) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.12) USER MOD Single : A 17 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.33) USER MOD Single : A 19 SER OG : rot -48:sc= 1.26 USER MOD Single : A 23 ASN : amide:sc= -0.0464 X(o=-0.046,f=-0.046) USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.0553 (180deg=-0.412) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0833) USER MOD Single : A 35 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.00056) USER MOD Single : A 38 GLN : amide:sc= -2.54 K(o=-2.5,f=-6!) USER MOD Single : A 39 SER OG : rot -86:sc= 0.813 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 K(o=0,f=-0.57) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0525 K(o=-0.052,f=-1.7) USER MOD Single : A 58 THR OG1 : rot -76:sc= -0.121 USER MOD Single : A 60 LYS NZ :NH3+ 150:sc= 0.449 (180deg=0.11) USER MOD Single : A 62 SER OG : rot -170:sc= 0.238 USER MOD Single : A 63 THR OG1 : rot 160:sc= 1.06 USER MOD Single : A 70 TYR OH : rot 176:sc= 1.28 USER MOD Single : A 72 THR OG1 : rot -14:sc= 1.28 USER MOD Single : A 73 SER OG : rot -48:sc= 1.27 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0205 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.212 6.812 -2.351 1.00 0.00 N ATOM 127 CA PRO A 9 -12.798 5.925 -3.433 1.00 0.00 C ATOM 128 C PRO A 9 -11.494 6.394 -4.068 1.00 0.00 C ATOM 129 O PRO A 9 -11.322 7.584 -4.347 1.00 0.00 O ATOM 130 CB PRO A 9 -13.955 6.000 -4.435 1.00 0.00 C ATOM 131 CG PRO A 9 -14.658 7.279 -4.131 1.00 0.00 C ATOM 132 CD PRO A 9 -14.457 7.533 -2.660 1.00 0.00 C ATOM 0 HA PRO A 9 -12.605 4.910 -3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.588 5.988 -5.461 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.625 5.147 -4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.251 8.097 -4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.719 7.206 -4.372 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.367 8.598 -2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.294 7.159 -2.071 1.00 0.00 H new ATOM 140 N MET A 10 -10.567 5.472 -4.273 1.00 0.00 N ATOM 141 CA MET A 10 -9.269 5.819 -4.829 1.00 0.00 C ATOM 142 C MET A 10 -9.290 5.674 -6.348 1.00 0.00 C ATOM 143 O MET A 10 -9.594 4.603 -6.877 1.00 0.00 O ATOM 144 CB MET A 10 -8.173 4.937 -4.234 1.00 0.00 C ATOM 145 CG MET A 10 -6.771 5.395 -4.594 1.00 0.00 C ATOM 146 SD MET A 10 -6.142 6.671 -3.492 1.00 0.00 S ATOM 147 CE MET A 10 -6.067 5.766 -1.957 1.00 0.00 C ATOM 0 H MET A 10 -10.688 4.481 -4.064 1.00 0.00 H new ATOM 0 HA MET A 10 -9.054 6.857 -4.574 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.276 4.924 -3.149 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.313 3.913 -4.580 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.098 4.538 -4.570 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.770 5.773 -5.616 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.517 6.349 -1.218 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.078 5.580 -1.594 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.560 4.815 -2.120 1.00 0.00 H new ATOM 157 N SER A 11 -8.978 6.755 -7.038 1.00 0.00 N ATOM 158 CA SER A 11 -9.002 6.781 -8.492 1.00 0.00 C ATOM 159 C SER A 11 -7.737 6.136 -9.092 1.00 0.00 C ATOM 160 O SER A 11 -6.805 5.807 -8.356 1.00 0.00 O ATOM 161 CB SER A 11 -9.167 8.227 -8.953 1.00 0.00 C ATOM 162 OG SER A 11 -10.446 8.731 -8.598 1.00 0.00 O ATOM 0 H SER A 11 -8.701 7.638 -6.610 1.00 0.00 H new ATOM 0 HA SER A 11 -9.845 6.190 -8.849 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.391 8.846 -8.504 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.036 8.285 -10.034 1.00 0.00 H new ATOM 0 HG SER A 11 -10.528 9.659 -8.902 1.00 0.00 H new ATOM 168 N TYR A 12 -7.704 5.956 -10.416 1.00 0.00 N ATOM 169 CA TYR A 12 -6.613 5.228 -11.076 1.00 0.00 C ATOM 170 C TYR A 12 -5.258 5.914 -10.856 1.00 0.00 C ATOM 171 O TYR A 12 -4.315 5.286 -10.364 1.00 0.00 O ATOM 172 CB TYR A 12 -6.935 5.036 -12.578 1.00 0.00 C ATOM 173 CG TYR A 12 -5.769 5.255 -13.529 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.703 4.366 -13.576 1.00 0.00 C ATOM 175 CD2 TYR A 12 -5.742 6.349 -14.382 1.00 0.00 C ATOM 176 CE1 TYR A 12 -3.646 4.562 -14.440 1.00 0.00 C ATOM 177 CE2 TYR A 12 -4.687 6.551 -15.252 1.00 0.00 C ATOM 178 CZ TYR A 12 -3.641 5.655 -15.275 1.00 0.00 C ATOM 179 OH TYR A 12 -2.586 5.851 -16.137 1.00 0.00 O ATOM 0 H TYR A 12 -8.420 6.304 -11.053 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.531 4.241 -10.621 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.316 4.025 -12.724 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.738 5.721 -12.850 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.702 3.505 -12.924 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.559 7.055 -14.366 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.825 3.860 -14.461 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.683 7.407 -15.910 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.737 6.667 -16.658 1.00 0.00 H new ATOM 189 N GLU A 13 -5.167 7.190 -11.229 1.00 0.00 N ATOM 190 CA GLU A 13 -3.984 8.012 -10.970 1.00 0.00 C ATOM 191 C GLU A 13 -3.511 7.869 -9.527 1.00 0.00 C ATOM 192 O GLU A 13 -2.310 7.827 -9.255 1.00 0.00 O ATOM 193 CB GLU A 13 -4.329 9.477 -11.243 1.00 0.00 C ATOM 194 CG GLU A 13 -4.589 9.783 -12.709 1.00 0.00 C ATOM 195 CD GLU A 13 -3.315 10.033 -13.478 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.534 10.922 -13.078 1.00 0.00 O ATOM 197 OE2 GLU A 13 -3.070 9.333 -14.475 1.00 0.00 O ATOM 0 H GLU A 13 -5.912 7.684 -11.720 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.181 7.676 -11.626 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.212 9.747 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.511 10.105 -10.890 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.126 8.950 -13.162 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.235 10.658 -12.786 1.00 0.00 H new ATOM 204 N GLU A 14 -4.467 7.768 -8.616 1.00 0.00 N ATOM 205 CA GLU A 14 -4.181 7.697 -7.200 1.00 0.00 C ATOM 206 C GLU A 14 -3.591 6.345 -6.836 1.00 0.00 C ATOM 207 O GLU A 14 -2.578 6.273 -6.154 1.00 0.00 O ATOM 208 CB GLU A 14 -5.453 7.943 -6.404 1.00 0.00 C ATOM 209 CG GLU A 14 -5.928 9.385 -6.414 1.00 0.00 C ATOM 210 CD GLU A 14 -7.195 9.578 -5.602 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.277 9.165 -6.067 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.116 10.139 -4.489 1.00 0.00 O ATOM 0 H GLU A 14 -5.461 7.733 -8.842 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.449 8.467 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.245 7.309 -6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.287 7.635 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.142 10.027 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.106 9.700 -7.442 1.00 0.00 H new ATOM 219 N LYS A 15 -4.233 5.275 -7.295 1.00 0.00 N ATOM 220 CA LYS A 15 -3.719 3.921 -7.073 1.00 0.00 C ATOM 221 C LYS A 15 -2.303 3.782 -7.633 1.00 0.00 C ATOM 222 O LYS A 15 -1.457 3.109 -7.045 1.00 0.00 O ATOM 223 CB LYS A 15 -4.617 2.867 -7.712 1.00 0.00 C ATOM 224 CG LYS A 15 -5.941 2.667 -7.020 1.00 0.00 C ATOM 225 CD LYS A 15 -6.960 2.147 -8.002 1.00 0.00 C ATOM 226 CE LYS A 15 -7.949 1.220 -7.331 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.838 0.552 -8.317 1.00 0.00 N ATOM 0 H LYS A 15 -5.106 5.315 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.703 3.758 -5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.803 3.147 -8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.084 1.916 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.827 1.964 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.283 3.609 -6.592 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.492 2.984 -8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.453 1.618 -8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.409 0.465 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.553 1.786 -6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.467 -0.113 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.409 1.268 -8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.261 0.033 -9.009 1.00 0.00 H new ATOM 241 N ARG A 16 -2.054 4.418 -8.778 1.00 0.00 N ATOM 242 CA ARG A 16 -0.719 4.428 -9.364 1.00 0.00 C ATOM 243 C ARG A 16 0.248 5.150 -8.444 1.00 0.00 C ATOM 244 O ARG A 16 1.307 4.622 -8.105 1.00 0.00 O ATOM 245 CB ARG A 16 -0.702 5.105 -10.730 1.00 0.00 C ATOM 246 CG ARG A 16 0.680 5.093 -11.353 1.00 0.00 C ATOM 247 CD ARG A 16 0.789 6.034 -12.528 1.00 0.00 C ATOM 248 NE ARG A 16 0.596 7.427 -12.133 1.00 0.00 N ATOM 249 CZ ARG A 16 -0.307 8.237 -12.679 1.00 0.00 C ATOM 250 NH1 ARG A 16 -1.090 7.796 -13.658 1.00 0.00 N ATOM 251 NH2 ARG A 16 -0.420 9.489 -12.255 1.00 0.00 N ATOM 0 H ARG A 16 -2.756 4.929 -9.313 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.415 3.389 -9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.403 4.599 -11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.045 6.135 -10.629 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.418 5.370 -10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.920 4.081 -11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.768 5.921 -12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.047 5.764 -13.279 1.00 0.00 H new ATOM 0 HE ARG A 16 1.190 7.802 -11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.999 6.836 -13.991 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.782 8.417 -14.076 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.186 9.832 -11.509 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.113 10.109 -12.675 1.00 0.00 H new ATOM 265 N GLN A 17 -0.129 6.357 -8.038 1.00 0.00 N ATOM 266 CA GLN A 17 0.696 7.159 -7.151 1.00 0.00 C ATOM 267 C GLN A 17 0.939 6.405 -5.848 1.00 0.00 C ATOM 268 O GLN A 17 2.031 6.444 -5.286 1.00 0.00 O ATOM 269 CB GLN A 17 0.020 8.504 -6.876 1.00 0.00 C ATOM 270 CG GLN A 17 0.948 9.523 -6.245 1.00 0.00 C ATOM 271 CD GLN A 17 2.040 9.972 -7.194 1.00 0.00 C ATOM 272 OE1 GLN A 17 3.108 9.366 -7.263 1.00 0.00 O ATOM 273 NE2 GLN A 17 1.783 11.038 -7.934 1.00 0.00 N ATOM 0 H GLN A 17 -1.006 6.801 -8.312 1.00 0.00 H new ATOM 0 HA GLN A 17 1.657 7.348 -7.630 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.368 8.906 -7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.835 8.345 -6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.369 10.389 -5.925 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.401 9.094 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.885 11.514 -7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.483 11.384 -8.590 1.00 0.00 H new ATOM 282 N LEU A 18 -0.093 5.703 -5.410 1.00 0.00 N ATOM 283 CA LEU A 18 -0.048 4.863 -4.219 1.00 0.00 C ATOM 284 C LEU A 18 0.998 3.763 -4.379 1.00 0.00 C ATOM 285 O LEU A 18 1.854 3.566 -3.528 1.00 0.00 O ATOM 286 CB LEU A 18 -1.427 4.242 -4.012 1.00 0.00 C ATOM 287 CG LEU A 18 -1.845 3.925 -2.580 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.181 3.225 -2.599 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.817 3.079 -1.857 1.00 0.00 C ATOM 0 H LEU A 18 -1.000 5.699 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 18 0.226 5.469 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.168 4.918 -4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.470 3.318 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.922 4.865 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.486 2.995 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.925 3.873 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.099 2.300 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.159 2.880 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.684 2.136 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.133 3.612 -1.822 1.00 0.00 H new ATOM 301 N SER A 19 0.932 3.050 -5.486 1.00 0.00 N ATOM 302 CA SER A 19 1.863 1.965 -5.737 1.00 0.00 C ATOM 303 C SER A 19 3.298 2.493 -5.793 1.00 0.00 C ATOM 304 O SER A 19 4.261 1.765 -5.544 1.00 0.00 O ATOM 305 CB SER A 19 1.476 1.261 -7.034 1.00 0.00 C ATOM 306 OG SER A 19 1.917 1.984 -8.175 1.00 0.00 O ATOM 0 H SER A 19 0.246 3.201 -6.225 1.00 0.00 H new ATOM 0 HA SER A 19 1.814 1.244 -4.921 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.908 0.260 -7.048 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.393 1.142 -7.075 1.00 0.00 H new ATOM 0 HG SER A 19 1.663 2.926 -8.084 1.00 0.00 H new ATOM 312 N LEU A 20 3.415 3.781 -6.081 1.00 0.00 N ATOM 313 CA LEU A 20 4.702 4.438 -6.187 1.00 0.00 C ATOM 314 C LEU A 20 5.153 4.975 -4.829 1.00 0.00 C ATOM 315 O LEU A 20 6.349 5.018 -4.539 1.00 0.00 O ATOM 316 CB LEU A 20 4.613 5.554 -7.217 1.00 0.00 C ATOM 317 CG LEU A 20 4.281 5.083 -8.625 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.415 6.226 -9.599 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.167 3.921 -9.026 1.00 0.00 C ATOM 0 H LEU A 20 2.619 4.397 -6.247 1.00 0.00 H new ATOM 0 HA LEU A 20 5.449 3.714 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.854 6.268 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.563 6.088 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 20 3.248 4.735 -8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.175 5.878 -10.604 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.729 7.025 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.438 6.602 -9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.912 3.601 -10.036 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.211 4.233 -8.997 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.016 3.093 -8.334 1.00 0.00 H new ATOM 331 N ASP A 21 4.196 5.374 -3.994 1.00 0.00 N ATOM 332 CA ASP A 21 4.507 5.829 -2.640 1.00 0.00 C ATOM 333 C ASP A 21 4.781 4.636 -1.723 1.00 0.00 C ATOM 334 O ASP A 21 5.623 4.708 -0.826 1.00 0.00 O ATOM 335 CB ASP A 21 3.421 6.770 -2.087 1.00 0.00 C ATOM 336 CG ASP A 21 2.030 6.179 -1.952 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.880 5.104 -1.353 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.072 6.835 -2.423 1.00 0.00 O ATOM 0 H ASP A 21 3.204 5.392 -4.229 1.00 0.00 H new ATOM 0 HA ASP A 21 5.420 6.422 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.740 7.123 -1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.361 7.643 -2.736 1.00 0.00 H new ATOM 343 N ILE A 22 4.114 3.521 -1.986 1.00 0.00 N ATOM 344 CA ILE A 22 4.442 2.267 -1.331 1.00 0.00 C ATOM 345 C ILE A 22 5.851 1.831 -1.707 1.00 0.00 C ATOM 346 O ILE A 22 6.609 1.333 -0.876 1.00 0.00 O ATOM 347 CB ILE A 22 3.422 1.175 -1.716 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.282 1.156 -0.703 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.072 -0.198 -1.839 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.136 0.256 -1.102 1.00 0.00 C ATOM 0 H ILE A 22 3.342 3.461 -2.650 1.00 0.00 H new ATOM 0 HA ILE A 22 4.398 2.416 -0.252 1.00 0.00 H new ATOM 0 HB ILE A 22 3.020 1.418 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.670 0.831 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.907 2.171 -0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.317 -0.935 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.843 -0.168 -2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.521 -0.475 -0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.362 0.292 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.722 0.594 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.496 -0.767 -1.206 1.00 0.00 H new ATOM 362 N ASN A 23 6.202 2.053 -2.966 1.00 0.00 N ATOM 363 CA ASN A 23 7.523 1.702 -3.467 1.00 0.00 C ATOM 364 C ASN A 23 8.588 2.622 -2.865 1.00 0.00 C ATOM 365 O ASN A 23 9.783 2.344 -2.934 1.00 0.00 O ATOM 366 CB ASN A 23 7.533 1.792 -4.994 1.00 0.00 C ATOM 367 CG ASN A 23 8.863 1.394 -5.611 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.123 0.212 -5.834 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.697 2.373 -5.926 1.00 0.00 N ATOM 0 H ASN A 23 5.587 2.476 -3.661 1.00 0.00 H new ATOM 0 HA ASN A 23 7.756 0.679 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.748 1.150 -5.394 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.293 2.812 -5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.590 2.159 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.446 3.341 -5.725 1.00 0.00 H new ATOM 376 N LYS A 24 8.141 3.722 -2.280 1.00 0.00 N ATOM 377 CA LYS A 24 9.033 4.654 -1.608 1.00 0.00 C ATOM 378 C LYS A 24 9.363 4.183 -0.195 1.00 0.00 C ATOM 379 O LYS A 24 10.318 4.661 0.421 1.00 0.00 O ATOM 380 CB LYS A 24 8.395 6.036 -1.545 1.00 0.00 C ATOM 381 CG LYS A 24 8.611 6.888 -2.785 1.00 0.00 C ATOM 382 CD LYS A 24 7.818 8.184 -2.700 1.00 0.00 C ATOM 383 CE LYS A 24 8.254 9.190 -3.754 1.00 0.00 C ATOM 384 NZ LYS A 24 9.660 9.629 -3.551 1.00 0.00 N ATOM 0 H LYS A 24 7.158 3.993 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 24 9.959 4.702 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.324 5.920 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.794 6.567 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.672 7.113 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.309 6.330 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.757 7.968 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.942 8.621 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.151 8.746 -4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.594 10.057 -3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.817 10.530 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.841 9.756 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.307 8.908 -3.930 1.00 0.00 H new ATOM 398 N LEU A 25 8.563 3.264 0.323 1.00 0.00 N ATOM 399 CA LEU A 25 8.769 2.742 1.670 1.00 0.00 C ATOM 400 C LEU A 25 9.949 1.775 1.729 1.00 0.00 C ATOM 401 O LEU A 25 10.132 0.951 0.834 1.00 0.00 O ATOM 402 CB LEU A 25 7.510 2.038 2.168 1.00 0.00 C ATOM 403 CG LEU A 25 6.317 2.950 2.428 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.289 2.208 3.238 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.747 4.199 3.164 1.00 0.00 C ATOM 0 H LEU A 25 7.764 2.862 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 25 8.992 3.593 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.219 1.286 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.750 1.508 3.090 1.00 0.00 H new ATOM 0 HG LEU A 25 5.887 3.247 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.435 2.858 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.960 1.326 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.727 1.901 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.879 4.835 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.193 3.923 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.479 4.740 2.565 1.00 0.00 H new ATOM 417 N PRO A 26 10.778 1.880 2.786 1.00 0.00 N ATOM 418 CA PRO A 26 11.867 0.931 3.026 1.00 0.00 C ATOM 419 C PRO A 26 11.336 -0.444 3.431 1.00 0.00 C ATOM 420 O PRO A 26 10.188 -0.555 3.869 1.00 0.00 O ATOM 421 CB PRO A 26 12.659 1.559 4.179 1.00 0.00 C ATOM 422 CG PRO A 26 11.689 2.458 4.870 1.00 0.00 C ATOM 423 CD PRO A 26 10.722 2.938 3.817 1.00 0.00 C ATOM 0 HA PRO A 26 12.469 0.765 2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.041 0.796 4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.519 2.117 3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.165 1.926 5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.204 3.299 5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.716 3.053 4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.017 3.907 3.414 1.00 0.00 H new ATOM 431 N GLY A 27 12.160 -1.475 3.291 1.00 0.00 N ATOM 432 CA GLY A 27 11.705 -2.846 3.486 1.00 0.00 C ATOM 433 C GLY A 27 10.942 -3.071 4.786 1.00 0.00 C ATOM 434 O GLY A 27 9.908 -3.739 4.796 1.00 0.00 O ATOM 0 H GLY A 27 13.146 -1.388 3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.066 -3.128 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.569 -3.510 3.465 1.00 0.00 H new ATOM 438 N GLU A 28 11.438 -2.517 5.878 1.00 0.00 N ATOM 439 CA GLU A 28 10.786 -2.677 7.172 1.00 0.00 C ATOM 440 C GLU A 28 9.422 -1.984 7.211 1.00 0.00 C ATOM 441 O GLU A 28 8.437 -2.554 7.689 1.00 0.00 O ATOM 442 CB GLU A 28 11.674 -2.170 8.314 1.00 0.00 C ATOM 443 CG GLU A 28 12.571 -1.003 7.958 1.00 0.00 C ATOM 444 CD GLU A 28 13.837 -1.419 7.245 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.817 -1.783 7.929 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.860 -1.392 6.002 1.00 0.00 O ATOM 0 H GLU A 28 12.288 -1.953 5.898 1.00 0.00 H new ATOM 0 HA GLU A 28 10.624 -3.746 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.036 -1.877 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.296 -2.994 8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.018 -0.308 7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.835 -0.465 8.869 1.00 0.00 H new ATOM 453 N LYS A 29 9.346 -0.778 6.664 1.00 0.00 N ATOM 454 CA LYS A 29 8.116 -0.003 6.730 1.00 0.00 C ATOM 455 C LYS A 29 7.077 -0.566 5.768 1.00 0.00 C ATOM 456 O LYS A 29 5.876 -0.477 6.008 1.00 0.00 O ATOM 457 CB LYS A 29 8.385 1.464 6.382 1.00 0.00 C ATOM 458 CG LYS A 29 8.542 2.402 7.576 1.00 0.00 C ATOM 459 CD LYS A 29 9.684 2.002 8.487 1.00 0.00 C ATOM 460 CE LYS A 29 10.392 3.230 9.038 1.00 0.00 C ATOM 461 NZ LYS A 29 9.465 4.130 9.775 1.00 0.00 N ATOM 0 H LYS A 29 10.114 -0.319 6.174 1.00 0.00 H new ATOM 0 HA LYS A 29 7.734 -0.066 7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.291 1.516 5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.567 1.828 5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.708 3.417 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.614 2.415 8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.304 1.396 9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.394 1.384 7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.196 2.916 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.854 3.780 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.010 4.880 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.793 4.559 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.943 3.582 10.488 1.00 0.00 H new ATOM 475 N LEU A 30 7.533 -1.199 4.700 1.00 0.00 N ATOM 476 CA LEU A 30 6.604 -1.729 3.717 1.00 0.00 C ATOM 477 C LEU A 30 5.973 -3.025 4.208 1.00 0.00 C ATOM 478 O LEU A 30 4.986 -3.491 3.652 1.00 0.00 O ATOM 479 CB LEU A 30 7.264 -1.857 2.330 1.00 0.00 C ATOM 480 CG LEU A 30 7.326 -3.245 1.669 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.899 -3.099 0.277 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.184 -4.220 2.457 1.00 0.00 C ATOM 0 H LEU A 30 8.519 -1.356 4.494 1.00 0.00 H new ATOM 0 HA LEU A 30 5.788 -1.018 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.736 -1.190 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.285 -1.484 2.414 1.00 0.00 H new ATOM 0 HG LEU A 30 6.313 -3.645 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.948 -4.077 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.262 -2.439 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.901 -2.675 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.197 -5.185 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.201 -3.834 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.771 -4.341 3.458 1.00 0.00 H new ATOM 494 N GLY A 31 6.528 -3.591 5.273 1.00 0.00 N ATOM 495 CA GLY A 31 5.890 -4.730 5.907 1.00 0.00 C ATOM 496 C GLY A 31 4.562 -4.333 6.523 1.00 0.00 C ATOM 497 O GLY A 31 3.682 -5.169 6.722 1.00 0.00 O ATOM 0 H GLY A 31 7.400 -3.286 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.733 -5.520 5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.545 -5.137 6.677 1.00 0.00 H new ATOM 501 N ARG A 32 4.409 -3.044 6.826 1.00 0.00 N ATOM 502 CA ARG A 32 3.141 -2.543 7.344 1.00 0.00 C ATOM 503 C ARG A 32 2.050 -2.610 6.289 1.00 0.00 C ATOM 504 O ARG A 32 0.933 -3.015 6.586 1.00 0.00 O ATOM 505 CB ARG A 32 3.248 -1.109 7.843 1.00 0.00 C ATOM 506 CG ARG A 32 1.943 -0.574 8.404 1.00 0.00 C ATOM 507 CD ARG A 32 2.121 -0.092 9.829 1.00 0.00 C ATOM 508 NE ARG A 32 2.531 -1.169 10.726 1.00 0.00 N ATOM 509 CZ ARG A 32 3.293 -0.995 11.806 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.708 0.219 12.152 1.00 0.00 N ATOM 511 NH2 ARG A 32 3.633 -2.042 12.548 1.00 0.00 N ATOM 0 H ARG A 32 5.138 -2.338 6.723 1.00 0.00 H new ATOM 0 HA ARG A 32 2.883 -3.188 8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.017 -1.055 8.614 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.574 -0.469 7.023 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.584 0.246 7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.183 -1.354 8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.867 0.702 9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.185 0.339 10.185 1.00 0.00 H new ATOM 0 HE ARG A 32 2.214 -2.115 10.513 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.444 1.028 11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.291 0.342 12.980 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.311 -2.975 12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.216 -1.913 13.375 1.00 0.00 H new ATOM 525 N VAL A 33 2.360 -2.198 5.062 1.00 0.00 N ATOM 526 CA VAL A 33 1.367 -2.244 3.993 1.00 0.00 C ATOM 527 C VAL A 33 0.918 -3.671 3.750 1.00 0.00 C ATOM 528 O VAL A 33 -0.277 -3.933 3.684 1.00 0.00 O ATOM 529 CB VAL A 33 1.847 -1.604 2.671 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.133 -0.291 2.453 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.339 -1.354 2.651 1.00 0.00 C ATOM 0 H VAL A 33 3.273 -1.835 4.787 1.00 0.00 H new ATOM 0 HA VAL A 33 0.525 -1.643 4.337 1.00 0.00 H new ATOM 0 HB VAL A 33 1.616 -2.312 1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.474 0.158 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.058 -0.466 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.351 0.384 3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.620 -0.904 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.606 -0.679 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.868 -2.299 2.775 1.00 0.00 H new ATOM 541 N VAL A 34 1.873 -4.588 3.641 1.00 0.00 N ATOM 542 CA VAL A 34 1.556 -6.020 3.600 1.00 0.00 C ATOM 543 C VAL A 34 0.605 -6.382 4.756 1.00 0.00 C ATOM 544 O VAL A 34 -0.367 -7.098 4.556 1.00 0.00 O ATOM 545 CB VAL A 34 2.829 -6.933 3.650 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.091 -6.184 3.249 1.00 0.00 C ATOM 547 CG2 VAL A 34 3.007 -7.604 5.006 1.00 0.00 C ATOM 0 H VAL A 34 2.868 -4.373 3.579 1.00 0.00 H new ATOM 0 HA VAL A 34 1.071 -6.207 2.642 1.00 0.00 H new ATOM 0 HB VAL A 34 2.663 -7.719 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.946 -6.858 3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.984 -5.809 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.249 -5.347 3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.902 -8.225 4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.108 -6.842 5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.138 -8.226 5.221 1.00 0.00 H new ATOM 557 N HIS A 35 0.869 -5.845 5.953 1.00 0.00 N ATOM 558 CA HIS A 35 0.040 -6.120 7.129 1.00 0.00 C ATOM 559 C HIS A 35 -1.356 -5.534 6.960 1.00 0.00 C ATOM 560 O HIS A 35 -2.354 -6.236 7.119 1.00 0.00 O ATOM 561 CB HIS A 35 0.700 -5.554 8.396 1.00 0.00 C ATOM 562 CG HIS A 35 -0.130 -5.704 9.643 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.034 -6.733 10.543 1.00 0.00 N ATOM 564 CD2 HIS A 35 -1.134 -4.938 10.136 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.831 -6.597 11.530 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.553 -5.516 11.309 1.00 0.00 N ATOM 0 H HIS A 35 1.652 -5.216 6.131 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.051 -7.201 7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.657 -6.053 8.548 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.913 -4.497 8.240 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.531 -4.039 9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.931 -7.260 12.377 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.299 -5.167 11.910 1.00 0.00 H new ATOM 575 N ILE A 36 -1.415 -4.242 6.656 1.00 0.00 N ATOM 576 CA ILE A 36 -2.681 -3.554 6.442 1.00 0.00 C ATOM 577 C ILE A 36 -3.495 -4.292 5.396 1.00 0.00 C ATOM 578 O ILE A 36 -4.668 -4.592 5.589 1.00 0.00 O ATOM 579 CB ILE A 36 -2.456 -2.104 5.964 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.677 -1.327 7.030 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.794 -1.438 5.663 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.116 -0.007 6.556 1.00 0.00 C ATOM 0 H ILE A 36 -0.593 -3.647 6.552 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.214 -3.533 7.392 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.870 -2.109 5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.333 -1.144 7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.857 -1.949 7.388 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.624 -0.415 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.311 -1.996 4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.406 -1.426 6.565 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.580 0.475 7.374 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.431 -0.180 5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.931 0.637 6.226 1.00 0.00 H new ATOM 594 N ILE A 37 -2.833 -4.604 4.309 1.00 0.00 N ATOM 595 CA ILE A 37 -3.434 -5.309 3.206 1.00 0.00 C ATOM 596 C ILE A 37 -3.907 -6.708 3.619 1.00 0.00 C ATOM 597 O ILE A 37 -5.088 -6.975 3.577 1.00 0.00 O ATOM 598 CB ILE A 37 -2.436 -5.356 2.046 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.373 -3.987 1.380 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.795 -6.433 1.051 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.097 -3.752 0.634 1.00 0.00 C ATOM 0 H ILE A 37 -1.850 -4.372 4.165 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.327 -4.776 2.880 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.451 -5.607 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.212 -3.886 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.489 -3.215 2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.066 -6.438 0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.792 -7.403 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.787 -6.237 0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.116 -2.760 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.255 -3.822 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.989 -4.503 -0.148 1.00 0.00 H new ATOM 613 N GLN A 38 -2.998 -7.580 4.048 1.00 0.00 N ATOM 614 CA GLN A 38 -3.366 -8.945 4.476 1.00 0.00 C ATOM 615 C GLN A 38 -4.524 -8.945 5.485 1.00 0.00 C ATOM 616 O GLN A 38 -5.385 -9.826 5.458 1.00 0.00 O ATOM 617 CB GLN A 38 -2.173 -9.653 5.125 1.00 0.00 C ATOM 618 CG GLN A 38 -1.042 -9.976 4.176 1.00 0.00 C ATOM 619 CD GLN A 38 0.096 -10.713 4.861 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.260 -10.541 4.511 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.233 -11.549 5.835 1.00 0.00 N ATOM 0 H GLN A 38 -2.001 -7.375 4.112 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.679 -9.472 3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.788 -9.025 5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.522 -10.579 5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.423 -10.584 3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.662 -9.052 3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.212 -11.666 6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.492 -12.076 6.322 1.00 0.00 H new ATOM 630 N SER A 39 -4.532 -7.964 6.384 1.00 0.00 N ATOM 631 CA SER A 39 -5.540 -7.899 7.437 1.00 0.00 C ATOM 632 C SER A 39 -6.888 -7.427 6.888 1.00 0.00 C ATOM 633 O SER A 39 -7.942 -7.967 7.241 1.00 0.00 O ATOM 634 CB SER A 39 -5.068 -6.970 8.561 1.00 0.00 C ATOM 635 OG SER A 39 -4.899 -5.639 8.105 1.00 0.00 O ATOM 0 H SER A 39 -3.852 -7.204 6.404 1.00 0.00 H new ATOM 0 HA SER A 39 -5.676 -8.903 7.838 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.793 -6.986 9.375 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.125 -7.338 8.966 1.00 0.00 H new ATOM 0 HG SER A 39 -4.002 -5.535 7.724 1.00 0.00 H new ATOM 641 N ARG A 40 -6.849 -6.418 6.026 1.00 0.00 N ATOM 642 CA ARG A 40 -8.060 -5.861 5.431 1.00 0.00 C ATOM 643 C ARG A 40 -8.515 -6.699 4.241 1.00 0.00 C ATOM 644 O ARG A 40 -9.686 -6.680 3.860 1.00 0.00 O ATOM 645 CB ARG A 40 -7.813 -4.403 5.026 1.00 0.00 C ATOM 646 CG ARG A 40 -7.474 -3.539 6.216 1.00 0.00 C ATOM 647 CD ARG A 40 -7.140 -2.117 5.825 1.00 0.00 C ATOM 648 NE ARG A 40 -8.345 -1.313 5.664 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.661 -0.289 6.456 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.784 0.181 7.334 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.841 0.294 6.344 1.00 0.00 N ATOM 0 H ARG A 40 -5.987 -5.966 5.721 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.862 -5.884 6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.999 -4.360 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.700 -4.008 4.531 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.316 -3.533 6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.628 -3.974 6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.501 -1.669 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.574 -2.118 4.894 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.982 -1.547 4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.859 -0.242 7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.035 0.965 7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.511 -0.040 5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.082 1.078 6.951 1.00 0.00 H new ATOM 665 N GLU A 41 -7.578 -7.443 3.683 1.00 0.00 N ATOM 666 CA GLU A 41 -7.831 -8.330 2.559 1.00 0.00 C ATOM 667 C GLU A 41 -7.519 -9.766 2.958 1.00 0.00 C ATOM 668 O GLU A 41 -6.456 -10.287 2.617 1.00 0.00 O ATOM 669 CB GLU A 41 -6.924 -7.968 1.388 1.00 0.00 C ATOM 670 CG GLU A 41 -6.789 -6.484 1.123 1.00 0.00 C ATOM 671 CD GLU A 41 -8.051 -5.853 0.568 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.807 -6.551 -0.144 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.290 -4.655 0.839 1.00 0.00 O ATOM 0 H GLU A 41 -6.609 -7.450 4.000 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.877 -8.227 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.933 -8.381 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.307 -8.450 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.518 -5.980 2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.971 -6.321 0.421 1.00 0.00 H new ATOM 680 N PRO A 42 -8.423 -10.447 3.672 1.00 0.00 N ATOM 681 CA PRO A 42 -8.152 -11.803 4.131 1.00 0.00 C ATOM 682 C PRO A 42 -8.108 -12.799 2.976 1.00 0.00 C ATOM 683 O PRO A 42 -7.762 -13.965 3.157 1.00 0.00 O ATOM 684 CB PRO A 42 -9.302 -12.136 5.082 1.00 0.00 C ATOM 685 CG PRO A 42 -10.318 -11.041 4.954 1.00 0.00 C ATOM 686 CD PRO A 42 -9.754 -9.959 4.066 1.00 0.00 C ATOM 0 HA PRO A 42 -7.177 -11.867 4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.743 -13.100 4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.943 -12.209 6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.244 -11.432 4.532 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.562 -10.635 5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.388 -9.793 3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.685 -9.009 4.596 1.00 0.00 H new ATOM 694 N SER A 43 -8.449 -12.326 1.788 1.00 0.00 N ATOM 695 CA SER A 43 -8.387 -13.140 0.588 1.00 0.00 C ATOM 696 C SER A 43 -6.938 -13.352 0.156 1.00 0.00 C ATOM 697 O SER A 43 -6.647 -14.215 -0.673 1.00 0.00 O ATOM 698 CB SER A 43 -9.184 -12.473 -0.530 1.00 0.00 C ATOM 699 OG SER A 43 -10.526 -12.259 -0.130 1.00 0.00 O ATOM 0 H SER A 43 -8.775 -11.372 1.630 1.00 0.00 H new ATOM 0 HA SER A 43 -8.823 -14.116 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.722 -11.522 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.161 -13.098 -1.423 1.00 0.00 H new ATOM 0 HG SER A 43 -11.020 -11.829 -0.859 1.00 0.00 H new ATOM 705 N LEU A 44 -6.024 -12.571 0.725 1.00 0.00 N ATOM 706 CA LEU A 44 -4.611 -12.720 0.422 1.00 0.00 C ATOM 707 C LEU A 44 -3.799 -13.009 1.683 1.00 0.00 C ATOM 708 O LEU A 44 -2.598 -12.759 1.731 1.00 0.00 O ATOM 709 CB LEU A 44 -4.089 -11.477 -0.317 1.00 0.00 C ATOM 710 CG LEU A 44 -4.246 -10.139 0.382 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.998 -9.804 1.162 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.543 -9.056 -0.641 1.00 0.00 C ATOM 0 H LEU A 44 -6.239 -11.833 1.395 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.490 -13.580 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.030 -11.627 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.598 -11.417 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.079 -10.199 1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.126 -8.842 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.818 -10.576 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.147 -9.752 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.655 -8.098 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.722 -8.995 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.466 -9.297 -1.169 1.00 0.00 H new ATOM 724 N LYS A 45 -4.452 -13.578 2.692 1.00 0.00 N ATOM 725 CA LYS A 45 -3.768 -13.916 3.937 1.00 0.00 C ATOM 726 C LYS A 45 -2.867 -15.133 3.733 1.00 0.00 C ATOM 727 O LYS A 45 -1.973 -15.398 4.534 1.00 0.00 O ATOM 728 CB LYS A 45 -4.767 -14.177 5.068 1.00 0.00 C ATOM 729 CG LYS A 45 -5.607 -15.427 4.880 1.00 0.00 C ATOM 730 CD LYS A 45 -6.492 -15.679 6.081 1.00 0.00 C ATOM 731 CE LYS A 45 -5.734 -16.474 7.121 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.283 -16.286 8.489 1.00 0.00 N ATOM 0 H LYS A 45 -5.444 -13.813 2.674 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.152 -13.063 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.221 -14.257 6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.431 -13.317 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.223 -15.323 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.955 -16.285 4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.823 -14.731 6.505 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.387 -16.222 5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.768 -17.532 6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.686 -16.176 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.730 -16.851 9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.227 -15.281 8.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.276 -16.595 8.510 1.00 0.00 H new ATOM 746 N ASN A 46 -3.115 -15.879 2.656 1.00 0.00 N ATOM 747 CA ASN A 46 -2.255 -16.995 2.280 1.00 0.00 C ATOM 748 C ASN A 46 -0.885 -16.469 1.863 1.00 0.00 C ATOM 749 O ASN A 46 0.136 -17.142 2.024 1.00 0.00 O ATOM 750 CB ASN A 46 -2.885 -17.794 1.133 1.00 0.00 C ATOM 751 CG ASN A 46 -2.088 -19.034 0.764 1.00 0.00 C ATOM 752 OD1 ASN A 46 -1.436 -19.648 1.611 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.141 -19.418 -0.502 1.00 0.00 N ATOM 0 H ASN A 46 -3.906 -15.728 2.030 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.140 -17.657 3.138 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.895 -18.089 1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.974 -17.152 0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.631 -20.248 -0.805 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.692 -18.884 -1.174 1.00 0.00 H new ATOM 760 N SER A 47 -0.878 -15.251 1.336 1.00 0.00 N ATOM 761 CA SER A 47 0.356 -14.583 0.964 1.00 0.00 C ATOM 762 C SER A 47 1.159 -14.227 2.213 1.00 0.00 C ATOM 763 O SER A 47 0.611 -13.726 3.198 1.00 0.00 O ATOM 764 CB SER A 47 0.050 -13.331 0.139 1.00 0.00 C ATOM 765 OG SER A 47 -0.558 -13.677 -1.096 1.00 0.00 O ATOM 0 H SER A 47 -1.721 -14.705 1.157 1.00 0.00 H new ATOM 0 HA SER A 47 0.955 -15.258 0.353 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.610 -12.671 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.971 -12.778 -0.046 1.00 0.00 H new ATOM 0 HG SER A 47 -0.747 -12.862 -1.607 1.00 0.00 H new ATOM 771 N ASN A 48 2.450 -14.517 2.176 1.00 0.00 N ATOM 772 CA ASN A 48 3.321 -14.284 3.318 1.00 0.00 C ATOM 773 C ASN A 48 3.691 -12.810 3.382 1.00 0.00 C ATOM 774 O ASN A 48 3.798 -12.151 2.352 1.00 0.00 O ATOM 775 CB ASN A 48 4.601 -15.122 3.190 1.00 0.00 C ATOM 776 CG ASN A 48 4.357 -16.487 2.573 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.383 -16.634 1.352 1.00 0.00 O ATOM 778 ND2 ASN A 48 4.123 -17.494 3.399 1.00 0.00 N ATOM 0 H ASN A 48 2.920 -14.916 1.363 1.00 0.00 H new ATOM 0 HA ASN A 48 2.794 -14.574 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.325 -14.579 2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.045 -15.250 4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.957 -18.430 3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.109 -17.335 4.406 1.00 0.00 H new ATOM 785 N PRO A 49 3.887 -12.275 4.598 1.00 0.00 N ATOM 786 CA PRO A 49 4.297 -10.880 4.804 1.00 0.00 C ATOM 787 C PRO A 49 5.640 -10.554 4.156 1.00 0.00 C ATOM 788 O PRO A 49 6.018 -9.389 4.039 1.00 0.00 O ATOM 789 CB PRO A 49 4.407 -10.742 6.325 1.00 0.00 C ATOM 790 CG PRO A 49 4.427 -12.130 6.859 1.00 0.00 C ATOM 791 CD PRO A 49 3.678 -12.975 5.872 1.00 0.00 C ATOM 0 HA PRO A 49 3.583 -10.194 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.312 -10.203 6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.564 -10.180 6.728 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.450 -12.486 6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.959 -12.174 7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.065 -13.993 5.839 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.620 -13.044 6.124 1.00 0.00 H new ATOM 799 N ASP A 50 6.369 -11.589 3.769 1.00 0.00 N ATOM 800 CA ASP A 50 7.632 -11.414 3.064 1.00 0.00 C ATOM 801 C ASP A 50 7.481 -11.772 1.592 1.00 0.00 C ATOM 802 O ASP A 50 8.465 -11.843 0.861 1.00 0.00 O ATOM 803 CB ASP A 50 8.734 -12.277 3.688 1.00 0.00 C ATOM 804 CG ASP A 50 9.085 -11.851 5.096 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.805 -10.845 5.258 1.00 0.00 O ATOM 806 OD2 ASP A 50 8.636 -12.516 6.053 1.00 0.00 O ATOM 0 H ASP A 50 6.108 -12.562 3.931 1.00 0.00 H new ATOM 0 HA ASP A 50 7.914 -10.365 3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.412 -13.318 3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.627 -12.225 3.064 1.00 0.00 H new ATOM 811 N GLU A 51 6.250 -12.032 1.168 1.00 0.00 N ATOM 812 CA GLU A 51 5.974 -12.391 -0.206 1.00 0.00 C ATOM 813 C GLU A 51 4.686 -11.743 -0.699 1.00 0.00 C ATOM 814 O GLU A 51 4.006 -12.289 -1.569 1.00 0.00 O ATOM 815 CB GLU A 51 5.876 -13.906 -0.344 1.00 0.00 C ATOM 816 CG GLU A 51 7.178 -14.570 -0.754 1.00 0.00 C ATOM 817 CD GLU A 51 7.033 -16.060 -0.973 1.00 0.00 C ATOM 818 OE1 GLU A 51 6.560 -16.458 -2.058 1.00 0.00 O ATOM 819 OE2 GLU A 51 7.399 -16.839 -0.067 1.00 0.00 O ATOM 0 H GLU A 51 5.425 -11.999 1.767 1.00 0.00 H new ATOM 0 HA GLU A 51 6.797 -12.024 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.548 -14.327 0.606 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.109 -14.145 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.544 -14.107 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.929 -14.392 0.015 1.00 0.00 H new ATOM 826 N ILE A 52 4.339 -10.592 -0.138 1.00 0.00 N ATOM 827 CA ILE A 52 3.050 -9.985 -0.417 1.00 0.00 C ATOM 828 C ILE A 52 2.971 -9.409 -1.826 1.00 0.00 C ATOM 829 O ILE A 52 3.962 -8.955 -2.407 1.00 0.00 O ATOM 830 CB ILE A 52 2.674 -8.910 0.630 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.168 -8.931 0.887 1.00 0.00 C ATOM 832 CG2 ILE A 52 3.086 -7.526 0.177 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.651 -10.260 1.349 1.00 0.00 C ATOM 0 H ILE A 52 4.928 -10.066 0.507 1.00 0.00 H new ATOM 0 HA ILE A 52 2.320 -10.791 -0.349 1.00 0.00 H new ATOM 0 HB ILE A 52 3.210 -9.144 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.926 -8.177 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.649 -8.648 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.806 -6.796 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.165 -7.498 0.027 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.583 -7.285 -0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.425 -10.196 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.860 -11.015 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.142 -10.537 2.282 1.00 0.00 H new ATOM 845 N GLU A 53 1.771 -9.467 -2.361 1.00 0.00 N ATOM 846 CA GLU A 53 1.460 -8.892 -3.653 1.00 0.00 C ATOM 847 C GLU A 53 0.349 -7.868 -3.421 1.00 0.00 C ATOM 848 O GLU A 53 -0.828 -8.229 -3.382 1.00 0.00 O ATOM 849 CB GLU A 53 0.991 -10.038 -4.597 1.00 0.00 C ATOM 850 CG GLU A 53 0.705 -9.665 -6.056 1.00 0.00 C ATOM 851 CD GLU A 53 -0.331 -10.575 -6.677 1.00 0.00 C ATOM 852 OE1 GLU A 53 -1.518 -10.494 -6.297 1.00 0.00 O ATOM 853 OE2 GLU A 53 0.043 -11.376 -7.559 1.00 0.00 O ATOM 0 H GLU A 53 0.976 -9.918 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 53 2.318 -8.403 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.754 -10.816 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.086 -10.475 -4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.358 -8.633 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.628 -9.719 -6.633 1.00 0.00 H new ATOM 860 N ILE A 54 0.722 -6.600 -3.204 1.00 0.00 N ATOM 861 CA ILE A 54 -0.249 -5.540 -3.084 1.00 0.00 C ATOM 862 C ILE A 54 -1.038 -5.387 -4.382 1.00 0.00 C ATOM 863 O ILE A 54 -0.531 -4.855 -5.373 1.00 0.00 O ATOM 864 CB ILE A 54 0.451 -4.214 -2.760 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.361 -4.362 -1.539 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.562 -3.108 -2.558 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.951 -3.048 -1.078 1.00 0.00 C ATOM 0 H ILE A 54 1.692 -6.298 -3.110 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.934 -5.797 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 54 1.077 -3.942 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.793 -4.806 -0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.170 -5.053 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.043 -2.177 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.150 -2.982 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.224 -3.367 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.587 -3.219 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.545 -2.614 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.147 -2.362 -0.810 1.00 0.00 H new ATOM 879 N ASP A 55 -2.269 -5.864 -4.374 1.00 0.00 N ATOM 880 CA ASP A 55 -3.121 -5.795 -5.553 1.00 0.00 C ATOM 881 C ASP A 55 -4.103 -4.646 -5.408 1.00 0.00 C ATOM 882 O ASP A 55 -5.173 -4.801 -4.823 1.00 0.00 O ATOM 883 CB ASP A 55 -3.876 -7.110 -5.749 1.00 0.00 C ATOM 884 CG ASP A 55 -4.670 -7.127 -7.038 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.817 -6.634 -7.043 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.154 -7.637 -8.051 1.00 0.00 O ATOM 0 H ASP A 55 -2.704 -6.305 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.495 -5.625 -6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.167 -7.938 -5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.550 -7.269 -4.907 1.00 0.00 H new ATOM 891 N PHE A 56 -3.739 -3.500 -5.965 1.00 0.00 N ATOM 892 CA PHE A 56 -4.478 -2.259 -5.754 1.00 0.00 C ATOM 893 C PHE A 56 -5.875 -2.302 -6.362 1.00 0.00 C ATOM 894 O PHE A 56 -6.716 -1.455 -6.064 1.00 0.00 O ATOM 895 CB PHE A 56 -3.690 -1.081 -6.316 1.00 0.00 C ATOM 896 CG PHE A 56 -2.374 -0.876 -5.624 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.328 -0.260 -4.391 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.189 -1.306 -6.194 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.147 -0.069 -3.733 1.00 0.00 C ATOM 900 CE2 PHE A 56 0.011 -1.116 -5.536 1.00 0.00 C ATOM 901 CZ PHE A 56 0.028 -0.493 -4.302 1.00 0.00 C ATOM 0 H PHE A 56 -2.927 -3.402 -6.574 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.604 -2.134 -4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.514 -1.242 -7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.288 -0.174 -6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.247 0.079 -3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.202 -1.793 -7.158 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.137 0.414 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.934 -1.453 -5.985 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.965 -0.340 -3.786 1.00 0.00 H new ATOM 911 N GLU A 57 -6.120 -3.289 -7.202 1.00 0.00 N ATOM 912 CA GLU A 57 -7.430 -3.459 -7.805 1.00 0.00 C ATOM 913 C GLU A 57 -8.399 -4.137 -6.846 1.00 0.00 C ATOM 914 O GLU A 57 -9.572 -3.765 -6.772 1.00 0.00 O ATOM 915 CB GLU A 57 -7.320 -4.247 -9.105 1.00 0.00 C ATOM 916 CG GLU A 57 -6.827 -3.403 -10.262 1.00 0.00 C ATOM 917 CD GLU A 57 -7.719 -2.204 -10.502 1.00 0.00 C ATOM 918 OE1 GLU A 57 -8.749 -2.356 -11.187 1.00 0.00 O ATOM 919 OE2 GLU A 57 -7.406 -1.106 -9.993 1.00 0.00 O ATOM 0 H GLU A 57 -5.430 -3.986 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.826 -2.469 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.641 -5.087 -8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.295 -4.665 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.811 -3.065 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.786 -4.012 -11.165 1.00 0.00 H new ATOM 926 N THR A 58 -7.915 -5.127 -6.113 1.00 0.00 N ATOM 927 CA THR A 58 -8.758 -5.839 -5.165 1.00 0.00 C ATOM 928 C THR A 58 -8.762 -5.158 -3.799 1.00 0.00 C ATOM 929 O THR A 58 -9.726 -5.297 -3.044 1.00 0.00 O ATOM 930 CB THR A 58 -8.326 -7.311 -5.015 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.922 -7.390 -4.740 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.645 -8.098 -6.276 1.00 0.00 C ATOM 0 H THR A 58 -6.950 -5.454 -6.155 1.00 0.00 H new ATOM 0 HA THR A 58 -9.771 -5.816 -5.567 1.00 0.00 H new ATOM 0 HB THR A 58 -8.881 -7.744 -4.183 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.417 -7.222 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.331 -9.134 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.718 -8.064 -6.464 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.114 -7.661 -7.122 1.00 0.00 H new ATOM 940 N LEU A 59 -7.693 -4.417 -3.493 1.00 0.00 N ATOM 941 CA LEU A 59 -7.595 -3.688 -2.233 1.00 0.00 C ATOM 942 C LEU A 59 -8.802 -2.785 -2.035 1.00 0.00 C ATOM 943 O LEU A 59 -9.175 -2.027 -2.934 1.00 0.00 O ATOM 944 CB LEU A 59 -6.325 -2.855 -2.185 1.00 0.00 C ATOM 945 CG LEU A 59 -5.041 -3.667 -2.183 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.836 -2.768 -2.045 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.074 -4.695 -1.071 1.00 0.00 C ATOM 0 H LEU A 59 -6.884 -4.308 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.566 -4.424 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.314 -2.182 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.348 -2.232 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.961 -4.189 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.929 -3.373 -2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.807 -2.068 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.901 -2.213 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.148 -5.271 -1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.178 -4.189 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.920 -5.366 -1.221 1.00 0.00 H new ATOM 959 N LYS A 60 -9.426 -2.896 -0.872 1.00 0.00 N ATOM 960 CA LYS A 60 -10.538 -2.031 -0.517 1.00 0.00 C ATOM 961 C LYS A 60 -10.080 -0.580 -0.532 1.00 0.00 C ATOM 962 O LYS A 60 -8.950 -0.287 -0.134 1.00 0.00 O ATOM 963 CB LYS A 60 -11.068 -2.385 0.878 1.00 0.00 C ATOM 964 CG LYS A 60 -11.614 -3.792 1.003 1.00 0.00 C ATOM 965 CD LYS A 60 -11.962 -4.125 2.435 1.00 0.00 C ATOM 966 CE LYS A 60 -12.364 -5.582 2.584 1.00 0.00 C ATOM 967 NZ LYS A 60 -12.527 -5.967 4.008 1.00 0.00 N ATOM 0 H LYS A 60 -9.179 -3.580 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.338 -2.172 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.264 -2.255 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.854 -1.679 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.501 -3.896 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.877 -4.504 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.107 -3.915 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.778 -3.485 2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.299 -5.757 2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.609 -6.217 2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.243 -6.718 4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.620 -6.314 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.833 -5.139 4.559 1.00 0.00 H new ATOM 981 N PRO A 61 -10.928 0.342 -1.026 1.00 0.00 N ATOM 982 CA PRO A 61 -10.659 1.776 -0.962 1.00 0.00 C ATOM 983 C PRO A 61 -10.150 2.206 0.409 1.00 0.00 C ATOM 984 O PRO A 61 -9.302 3.090 0.521 1.00 0.00 O ATOM 985 CB PRO A 61 -12.022 2.399 -1.236 1.00 0.00 C ATOM 986 CG PRO A 61 -12.716 1.422 -2.111 1.00 0.00 C ATOM 987 CD PRO A 61 -12.185 0.053 -1.742 1.00 0.00 C ATOM 0 HA PRO A 61 -9.883 2.079 -1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.575 2.564 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.923 3.368 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.795 1.471 -1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.526 1.640 -3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.888 -0.492 -1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.009 -0.559 -2.626 1.00 0.00 H new ATOM 995 N SER A 62 -10.667 1.559 1.445 1.00 0.00 N ATOM 996 CA SER A 62 -10.262 1.846 2.806 1.00 0.00 C ATOM 997 C SER A 62 -8.801 1.440 3.029 1.00 0.00 C ATOM 998 O SER A 62 -8.030 2.198 3.620 1.00 0.00 O ATOM 999 CB SER A 62 -11.192 1.110 3.789 1.00 0.00 C ATOM 1000 OG SER A 62 -11.041 -0.298 3.684 1.00 0.00 O ATOM 0 H SER A 62 -11.373 0.827 1.363 1.00 0.00 H new ATOM 0 HA SER A 62 -10.342 2.918 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.972 1.427 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.228 1.383 3.587 1.00 0.00 H new ATOM 0 HG SER A 62 -11.747 -0.742 4.198 1.00 0.00 H new ATOM 1006 N THR A 63 -8.420 0.255 2.546 1.00 0.00 N ATOM 1007 CA THR A 63 -7.035 -0.190 2.634 1.00 0.00 C ATOM 1008 C THR A 63 -6.156 0.775 1.871 1.00 0.00 C ATOM 1009 O THR A 63 -5.185 1.282 2.407 1.00 0.00 O ATOM 1010 CB THR A 63 -6.834 -1.614 2.057 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.980 -2.424 2.366 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.575 -2.274 2.628 1.00 0.00 C ATOM 0 H THR A 63 -9.050 -0.407 2.093 1.00 0.00 H new ATOM 0 HA THR A 63 -6.766 -0.218 3.690 1.00 0.00 H new ATOM 0 HB THR A 63 -6.715 -1.529 0.977 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.014 -3.189 1.755 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.463 -3.272 2.203 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.702 -1.672 2.376 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.663 -2.349 3.712 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.545 1.063 0.633 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.780 1.942 -0.236 1.00 0.00 C ATOM 1022 C LEU A 64 -5.554 3.304 0.409 1.00 0.00 C ATOM 1023 O LEU A 64 -4.446 3.835 0.370 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.493 2.094 -1.579 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.605 0.812 -2.395 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.534 1.012 -3.577 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.231 0.368 -2.863 1.00 0.00 C ATOM 0 H LEU A 64 -7.396 0.694 0.208 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.801 1.492 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.496 2.482 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.964 2.840 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.025 0.031 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.601 0.086 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.525 1.290 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.144 1.804 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.324 -0.549 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.788 1.148 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.593 0.186 -1.998 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.596 3.864 1.017 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.470 5.142 1.700 1.00 0.00 C ATOM 1041 C ARG A 65 -5.547 5.022 2.905 1.00 0.00 C ATOM 1042 O ARG A 65 -4.808 5.953 3.217 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.836 5.678 2.128 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.702 6.155 0.971 1.00 0.00 C ATOM 1045 CD ARG A 65 -8.105 7.367 0.275 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.862 7.741 -0.917 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.402 8.570 -1.854 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.229 9.173 -1.696 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.114 8.809 -2.946 1.00 0.00 N ATOM 0 H ARG A 65 -7.530 3.454 1.049 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.033 5.851 0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.369 4.896 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.689 6.504 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.822 5.346 0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.697 6.403 1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.081 8.208 0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.073 7.154 -0.003 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.794 7.346 -1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.677 9.002 -0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.880 9.807 -2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.020 8.358 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.756 9.444 -3.659 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.572 3.871 3.569 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.690 3.641 4.695 1.00 0.00 C ATOM 1065 C GLU A 66 -3.251 3.454 4.222 1.00 0.00 C ATOM 1066 O GLU A 66 -2.353 4.076 4.762 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.155 2.451 5.526 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.202 2.126 6.655 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.882 1.435 7.820 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.114 0.211 7.754 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -5.196 2.123 8.815 1.00 0.00 O ATOM 0 H GLU A 66 -6.190 3.091 3.345 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.724 4.522 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.142 2.663 5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.259 1.579 4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.403 1.488 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.736 3.046 7.007 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.045 2.609 3.213 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.725 2.431 2.598 1.00 0.00 C ATOM 1080 C LEU A 67 -1.133 3.792 2.223 1.00 0.00 C ATOM 1081 O LEU A 67 -0.027 4.131 2.641 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.841 1.535 1.352 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.737 0.313 1.528 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.946 -0.382 0.207 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.128 -0.656 2.519 1.00 0.00 C ATOM 0 H LEU A 67 -3.778 2.033 2.800 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.061 1.948 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.224 2.133 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.844 1.200 1.068 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.700 0.653 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.587 -1.251 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.418 0.305 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.984 -0.703 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.782 -1.521 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.153 -0.982 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.010 -0.163 3.484 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.901 4.582 1.473 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.478 5.921 1.055 1.00 0.00 C ATOM 1099 C GLU A 68 -1.155 6.811 2.262 1.00 0.00 C ATOM 1100 O GLU A 68 -0.054 7.335 2.385 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.578 6.579 0.218 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.218 7.962 -0.291 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.413 8.716 -0.839 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.294 9.105 -0.042 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.456 8.960 -2.062 1.00 0.00 O ATOM 0 H GLU A 68 -2.827 4.316 1.139 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.573 5.812 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.807 5.937 -0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.485 6.648 0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.772 8.538 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.462 7.872 -1.071 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.124 6.982 3.150 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.950 7.826 4.331 1.00 0.00 C ATOM 1114 C ARG A 69 -0.868 7.283 5.253 1.00 0.00 C ATOM 1115 O ARG A 69 -0.242 8.030 6.010 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.271 7.934 5.071 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.206 8.974 4.480 1.00 0.00 C ATOM 1118 CD ARG A 69 -4.141 10.283 5.246 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.784 10.827 5.299 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.330 11.583 6.296 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -3.130 11.906 7.305 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -1.076 12.014 6.281 1.00 0.00 N ATOM 0 H ARG A 69 -3.044 6.547 3.077 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.631 8.816 4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.766 6.963 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.076 8.182 6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.944 9.149 3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.228 8.595 4.493 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.804 11.010 4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.508 10.127 6.261 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.150 10.615 4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.095 11.575 7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.780 12.485 8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.461 11.766 5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.727 12.593 7.044 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.628 5.994 5.170 1.00 0.00 N ATOM 1137 CA TYR A 70 0.416 5.382 5.950 1.00 0.00 C ATOM 1138 C TYR A 70 1.770 5.799 5.405 1.00 0.00 C ATOM 1139 O TYR A 70 2.617 6.299 6.144 1.00 0.00 O ATOM 1140 CB TYR A 70 0.304 3.868 5.938 1.00 0.00 C ATOM 1141 CG TYR A 70 1.567 3.214 6.409 1.00 0.00 C ATOM 1142 CD1 TYR A 70 2.080 3.471 7.673 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.264 2.375 5.570 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.262 2.900 8.086 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.447 1.800 5.968 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.946 2.069 7.232 1.00 0.00 C ATOM 1147 OH TYR A 70 5.136 1.513 7.640 1.00 0.00 O ATOM 0 H TYR A 70 -1.144 5.351 4.569 1.00 0.00 H new ATOM 0 HA TYR A 70 0.310 5.720 6.981 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.525 3.560 6.575 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.073 3.528 4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.544 4.128 8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.876 2.165 4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.649 3.103 9.074 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.984 1.143 5.300 1.00 0.00 H new ATOM 0 HH TYR A 70 5.464 0.899 6.950 1.00 0.00 H new ATOM 1157 N VAL A 71 1.965 5.622 4.104 1.00 0.00 N ATOM 1158 CA VAL A 71 3.236 5.966 3.500 1.00 0.00 C ATOM 1159 C VAL A 71 3.514 7.440 3.716 1.00 0.00 C ATOM 1160 O VAL A 71 4.652 7.832 3.889 1.00 0.00 O ATOM 1161 CB VAL A 71 3.303 5.676 1.986 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.825 4.282 1.651 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.526 6.695 1.198 1.00 0.00 C ATOM 0 H VAL A 71 1.268 5.248 3.460 1.00 0.00 H new ATOM 0 HA VAL A 71 3.983 5.337 3.984 1.00 0.00 H new ATOM 0 HB VAL A 71 4.353 5.744 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.890 4.124 0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.449 3.550 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.790 4.165 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.594 6.462 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.481 6.675 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.939 7.687 1.379 1.00 0.00 H new ATOM 1173 N THR A 72 2.459 8.255 3.741 1.00 0.00 N ATOM 1174 CA THR A 72 2.635 9.689 3.866 1.00 0.00 C ATOM 1175 C THR A 72 3.223 10.052 5.223 1.00 0.00 C ATOM 1176 O THR A 72 3.929 11.049 5.357 1.00 0.00 O ATOM 1177 CB THR A 72 1.331 10.474 3.636 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.323 10.109 4.585 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.831 10.218 2.236 1.00 0.00 C ATOM 0 H THR A 72 1.489 7.946 3.677 1.00 0.00 H new ATOM 0 HA THR A 72 3.333 9.977 3.080 1.00 0.00 H new ATOM 0 HB THR A 72 1.545 11.535 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.584 9.280 5.037 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.092 10.773 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.582 10.543 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.641 9.152 2.107 1.00 0.00 H new ATOM 1187 N SER A 73 2.960 9.214 6.221 1.00 0.00 N ATOM 1188 CA SER A 73 3.516 9.421 7.547 1.00 0.00 C ATOM 1189 C SER A 73 5.033 9.231 7.497 1.00 0.00 C ATOM 1190 O SER A 73 5.769 9.719 8.355 1.00 0.00 O ATOM 1191 CB SER A 73 2.869 8.459 8.547 1.00 0.00 C ATOM 1192 OG SER A 73 3.396 7.148 8.432 1.00 0.00 O ATOM 0 H SER A 73 2.367 8.389 6.134 1.00 0.00 H new ATOM 0 HA SER A 73 3.304 10.437 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.028 8.827 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.792 8.434 8.382 1.00 0.00 H new ATOM 0 HG SER A 73 3.401 6.879 7.490 1.00 0.00 H new ATOM 1198 N CYS A 74 5.482 8.519 6.467 1.00 0.00 N ATOM 1199 CA CYS A 74 6.905 8.345 6.204 1.00 0.00 C ATOM 1200 C CYS A 74 7.377 9.336 5.141 1.00 0.00 C ATOM 1201 O CYS A 74 8.269 10.135 5.373 1.00 0.00 O ATOM 1202 CB CYS A 74 7.204 6.905 5.759 1.00 0.00 C ATOM 1203 SG CYS A 74 8.917 6.629 5.249 1.00 0.00 S ATOM 0 H CYS A 74 4.874 8.050 5.796 1.00 0.00 H new ATOM 0 HA CYS A 74 7.448 8.539 7.129 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.967 6.226 6.578 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.544 6.648 4.931 1.00 0.00 H new ATOM 0 HG CYS A 74 9.070 5.388 4.895 1.00 0.00 H new ATOM 1209 N LEU A 75 6.731 9.309 3.996 1.00 0.00 N ATOM 1210 CA LEU A 75 7.182 10.035 2.818 1.00 0.00 C ATOM 1211 C LEU A 75 7.011 11.537 2.961 1.00 0.00 C ATOM 1212 O LEU A 75 7.839 12.311 2.481 1.00 0.00 O ATOM 1213 CB LEU A 75 6.404 9.527 1.609 1.00 0.00 C ATOM 1214 CG LEU A 75 6.420 8.016 1.457 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.867 7.629 0.105 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.833 7.482 1.650 1.00 0.00 C ATOM 0 H LEU A 75 5.871 8.780 3.850 1.00 0.00 H new ATOM 0 HA LEU A 75 8.250 9.855 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.370 9.863 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.819 9.977 0.707 1.00 0.00 H new ATOM 0 HG LEU A 75 5.787 7.570 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.882 6.544 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.842 7.988 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.478 8.075 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.831 6.398 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.493 7.922 0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.188 7.743 2.647 1.00 0.00 H new