USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 THR OG1 : rot 180:sc= 0.0159 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 66 GLN : amide:sc= -0.773 X(o=-0.76,f=-0.8) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 39 GLN : amide:sc= -0.186 K(o=0.17,f=-2.8!) USER MOD Set 2.3: A 40 GLN : amide:sc= 0.351 K(o=0.17,f=-3!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot -125:sc= 0.336 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 38 GLN : amide:sc= -0.6 K(o=-0.6,f=-2.3!) USER MOD Single : A 43 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.025) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0174 USER MOD Single : A 50 ASN : amide:sc= -0.0434 X(o=-0.043,f=-0.043) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -82:sc= 0.749 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN :FLIP amide:sc=-0.00237 F(o=-1.6!,f=-0.0024) USER MOD Single : A 72 LYS NZ :NH3+ -116:sc= 1.21 (180deg=-0.237) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 8.057 -2.104 8.206 1.00 0.00 N ATOM 153 CA TYR A 23 6.892 -1.568 7.534 1.00 0.00 C ATOM 154 C TYR A 23 5.819 -1.045 8.470 1.00 0.00 C ATOM 155 O TYR A 23 5.663 -1.440 9.626 1.00 0.00 O ATOM 156 CB TYR A 23 6.307 -2.541 6.491 1.00 0.00 C ATOM 157 CG TYR A 23 5.331 -1.935 5.518 1.00 0.00 C ATOM 158 CD1 TYR A 23 5.693 -0.840 4.741 1.00 0.00 C ATOM 159 CD2 TYR A 23 4.008 -2.391 5.375 1.00 0.00 C ATOM 160 CE1 TYR A 23 4.741 -0.162 3.985 1.00 0.00 C ATOM 161 CE2 TYR A 23 3.047 -1.685 4.634 1.00 0.00 C ATOM 162 CZ TYR A 23 3.393 -0.565 3.867 1.00 0.00 C ATOM 163 OH TYR A 23 2.477 0.236 3.235 1.00 0.00 O ATOM 0 HA TYR A 23 7.266 -0.697 6.997 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.130 -2.981 5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.810 -3.356 7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.722 -0.513 4.724 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.721 -3.317 5.852 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.053 0.727 3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.018 -2.013 4.656 1.00 0.00 H new ATOM 0 HH TYR A 23 1.599 -0.199 3.246 1.00 0.00 H new ATOM 173 N TYR A 24 5.082 -0.043 7.995 1.00 0.00 N ATOM 174 CA TYR A 24 4.149 0.704 8.808 1.00 0.00 C ATOM 175 C TYR A 24 2.881 -0.032 9.245 1.00 0.00 C ATOM 176 O TYR A 24 2.086 -0.563 8.466 1.00 0.00 O ATOM 177 CB TYR A 24 3.715 2.016 8.148 1.00 0.00 C ATOM 178 CG TYR A 24 4.727 3.032 7.670 1.00 0.00 C ATOM 179 CD1 TYR A 24 5.192 4.036 8.538 1.00 0.00 C ATOM 180 CD2 TYR A 24 5.048 3.116 6.315 1.00 0.00 C ATOM 181 CE1 TYR A 24 6.075 5.010 8.057 1.00 0.00 C ATOM 182 CE2 TYR A 24 5.858 4.130 5.823 1.00 0.00 C ATOM 183 CZ TYR A 24 6.317 5.146 6.673 1.00 0.00 C ATOM 184 OH TYR A 24 7.068 6.166 6.149 1.00 0.00 O ATOM 0 H TYR A 24 5.123 0.269 7.025 1.00 0.00 H new ATOM 0 HA TYR A 24 4.741 0.883 9.706 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.102 1.750 7.287 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.064 2.527 8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.870 4.055 9.569 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.657 2.375 5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.577 5.665 8.753 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.136 4.136 4.779 1.00 0.00 H new ATOM 0 HH TYR A 24 6.547 6.639 5.466 1.00 0.00 H new ATOM 194 N LYS A 25 2.642 0.000 10.546 1.00 0.00 N ATOM 195 CA LYS A 25 1.570 -0.718 11.223 1.00 0.00 C ATOM 196 C LYS A 25 0.383 0.166 11.557 1.00 0.00 C ATOM 197 O LYS A 25 -0.655 -0.390 11.940 1.00 0.00 O ATOM 198 CB LYS A 25 2.148 -1.422 12.452 1.00 0.00 C ATOM 199 CG LYS A 25 3.322 -2.360 12.178 1.00 0.00 C ATOM 200 CD LYS A 25 3.857 -3.103 13.403 1.00 0.00 C ATOM 201 CE LYS A 25 4.514 -2.209 14.444 1.00 0.00 C ATOM 202 NZ LYS A 25 5.730 -1.523 14.004 1.00 0.00 N ATOM 0 H LYS A 25 3.213 0.550 11.188 1.00 0.00 H new ATOM 0 HA LYS A 25 1.167 -1.467 10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.470 -0.664 13.166 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.352 -1.993 12.930 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.015 -3.094 11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.135 -1.781 11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.035 -3.643 13.873 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.581 -3.848 13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.790 -1.460 14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.754 -2.814 15.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.101 -0.941 14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.444 -2.226 13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.510 -0.914 13.190 1.00 0.00 H new ATOM 216 N ILE A 26 0.496 1.494 11.524 1.00 0.00 N ATOM 217 CA ILE A 26 -0.660 2.301 11.882 1.00 0.00 C ATOM 218 C ILE A 26 -1.745 2.221 10.812 1.00 0.00 C ATOM 219 O ILE A 26 -2.928 2.462 11.035 1.00 0.00 O ATOM 220 CB ILE A 26 -0.292 3.764 12.136 1.00 0.00 C ATOM 221 CG1 ILE A 26 0.225 4.523 10.907 1.00 0.00 C ATOM 222 CG2 ILE A 26 0.691 3.894 13.278 1.00 0.00 C ATOM 223 CD1 ILE A 26 0.673 5.955 11.153 1.00 0.00 C ATOM 0 H ILE A 26 1.336 2.011 11.265 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.046 1.885 12.813 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.236 4.239 12.404 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.063 3.967 10.487 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.561 4.533 10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.932 4.946 13.433 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.249 3.485 14.187 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.601 3.345 13.039 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.018 6.394 10.217 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.164 6.537 11.540 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.486 5.962 11.879 1.00 0.00 H new ATOM 235 N ILE A 27 -1.354 1.932 9.562 1.00 0.00 N ATOM 236 CA ILE A 27 -2.192 1.643 8.416 1.00 0.00 C ATOM 237 C ILE A 27 -3.019 0.419 8.734 1.00 0.00 C ATOM 238 O ILE A 27 -4.196 0.422 8.355 1.00 0.00 O ATOM 239 CB ILE A 27 -1.412 1.829 7.115 1.00 0.00 C ATOM 240 CG1 ILE A 27 -0.196 0.899 7.197 1.00 0.00 C ATOM 241 CG2 ILE A 27 -0.920 3.281 7.046 1.00 0.00 C ATOM 242 CD1 ILE A 27 0.519 0.755 5.867 1.00 0.00 C ATOM 0 H ILE A 27 -0.364 1.894 9.320 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.984 2.358 8.196 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.025 1.608 6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.502 1.284 7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.518 -0.084 7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.361 3.432 6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.775 3.956 7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.274 3.487 7.900 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.372 0.086 5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.168 0.343 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.868 1.732 5.534 1.00 0.00 H new ATOM 254 N LYS A 28 -2.486 -0.555 9.466 1.00 0.00 N ATOM 255 CA LYS A 28 -2.828 -1.959 9.623 1.00 0.00 C ATOM 256 C LYS A 28 -4.318 -2.272 9.779 1.00 0.00 C ATOM 257 O LYS A 28 -4.924 -2.882 8.907 1.00 0.00 O ATOM 258 CB LYS A 28 -1.982 -2.773 10.588 1.00 0.00 C ATOM 259 CG LYS A 28 -1.971 -4.242 10.185 1.00 0.00 C ATOM 260 CD LYS A 28 -1.122 -5.079 11.140 1.00 0.00 C ATOM 261 CE LYS A 28 -2.106 -5.718 12.111 1.00 0.00 C ATOM 262 NZ LYS A 28 -1.418 -6.199 13.330 1.00 0.00 N ATOM 0 H LYS A 28 -1.679 -0.337 10.051 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.542 -2.314 8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.963 -2.387 10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.375 -2.671 11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.992 -4.625 10.173 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.583 -4.339 9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.557 -5.838 10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.398 -4.458 11.668 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.873 -4.994 12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.613 -6.551 11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.112 -6.630 13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.703 -6.907 13.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.955 -5.399 13.806 1.00 0.00 H new ATOM 276 N THR A 29 -4.857 -1.938 10.953 1.00 0.00 N ATOM 277 CA THR A 29 -6.143 -2.413 11.421 1.00 0.00 C ATOM 278 C THR A 29 -7.302 -1.768 10.660 1.00 0.00 C ATOM 279 O THR A 29 -8.397 -2.326 10.541 1.00 0.00 O ATOM 280 CB THR A 29 -6.270 -2.126 12.913 1.00 0.00 C ATOM 281 OG1 THR A 29 -5.157 -2.798 13.458 1.00 0.00 O ATOM 282 CG2 THR A 29 -7.469 -2.617 13.702 1.00 0.00 C ATOM 0 H THR A 29 -4.394 -1.315 11.614 1.00 0.00 H new ATOM 0 HA THR A 29 -6.196 -3.487 11.240 1.00 0.00 H new ATOM 0 HB THR A 29 -6.360 -1.043 12.992 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.143 -2.673 14.430 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.370 -2.310 14.743 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.380 -2.190 13.283 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.520 -3.704 13.648 1.00 0.00 H new ATOM 290 N ALA A 30 -7.034 -0.610 10.059 1.00 0.00 N ATOM 291 CA ALA A 30 -7.931 0.224 9.287 1.00 0.00 C ATOM 292 C ALA A 30 -8.102 -0.416 7.920 1.00 0.00 C ATOM 293 O ALA A 30 -9.219 -0.662 7.453 1.00 0.00 O ATOM 294 CB ALA A 30 -7.341 1.622 9.218 1.00 0.00 C ATOM 0 H ALA A 30 -6.100 -0.203 10.109 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.918 0.309 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.002 2.268 8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.234 2.022 10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.363 1.581 8.738 1.00 0.00 H new ATOM 300 N ARG A 31 -7.007 -0.581 7.171 1.00 0.00 N ATOM 301 CA ARG A 31 -6.876 -1.345 5.946 1.00 0.00 C ATOM 302 C ARG A 31 -7.596 -2.662 6.133 1.00 0.00 C ATOM 303 O ARG A 31 -8.126 -3.163 5.138 1.00 0.00 O ATOM 304 CB ARG A 31 -5.400 -1.559 5.628 1.00 0.00 C ATOM 305 CG ARG A 31 -5.216 -2.275 4.284 1.00 0.00 C ATOM 306 CD ARG A 31 -3.826 -2.394 3.670 1.00 0.00 C ATOM 307 NE ARG A 31 -3.885 -3.512 2.703 1.00 0.00 N ATOM 308 CZ ARG A 31 -2.976 -4.443 2.430 1.00 0.00 C ATOM 309 NH1 ARG A 31 -1.723 -4.409 2.905 1.00 0.00 N ATOM 310 NH2 ARG A 31 -3.170 -5.395 1.507 1.00 0.00 N ATOM 0 H ARG A 31 -6.124 -0.145 7.435 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.320 -0.810 5.106 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.888 -0.597 5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.937 -2.146 6.421 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.608 -3.286 4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.850 -1.768 3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.541 -1.467 3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.078 -2.586 4.439 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.750 -3.578 2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.427 -3.642 3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.066 -5.151 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.043 -5.425 0.981 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.444 -6.090 1.330 1.00 0.00 H new ATOM 324 N GLU A 32 -7.622 -3.309 7.313 1.00 0.00 N ATOM 325 CA GLU A 32 -8.404 -4.500 7.555 1.00 0.00 C ATOM 326 C GLU A 32 -9.891 -4.283 7.681 1.00 0.00 C ATOM 327 O GLU A 32 -10.645 -5.043 7.058 1.00 0.00 O ATOM 328 CB GLU A 32 -7.720 -4.946 8.858 1.00 0.00 C ATOM 329 CG GLU A 32 -7.918 -6.457 8.975 1.00 0.00 C ATOM 330 CD GLU A 32 -7.176 -7.073 10.159 1.00 0.00 C ATOM 331 OE1 GLU A 32 -7.482 -6.714 11.319 1.00 0.00 O ATOM 332 OE2 GLU A 32 -6.304 -7.939 9.923 1.00 0.00 O ATOM 0 H GLU A 32 -7.088 -3.002 8.126 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.404 -5.224 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.659 -4.697 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.154 -4.433 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.983 -6.671 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.579 -6.933 8.055 1.00 0.00 H new ATOM 339 N GLN A 33 -10.392 -3.242 8.355 1.00 0.00 N ATOM 340 CA GLN A 33 -11.809 -2.911 8.347 1.00 0.00 C ATOM 341 C GLN A 33 -12.310 -2.579 6.944 1.00 0.00 C ATOM 342 O GLN A 33 -13.496 -2.751 6.684 1.00 0.00 O ATOM 343 CB GLN A 33 -11.971 -1.748 9.320 1.00 0.00 C ATOM 344 CG GLN A 33 -11.807 -2.057 10.792 1.00 0.00 C ATOM 345 CD GLN A 33 -12.290 -1.005 11.778 1.00 0.00 C ATOM 346 OE1 GLN A 33 -12.396 0.160 11.418 1.00 0.00 O ATOM 347 NE2 GLN A 33 -12.505 -1.361 13.044 1.00 0.00 N ATOM 0 H GLN A 33 -9.823 -2.610 8.918 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.417 -3.760 8.658 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.247 -0.979 9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.962 -1.318 9.172 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.335 -2.987 11.003 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.750 -2.240 10.984 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.411 -2.338 13.322 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.764 -0.657 13.735 1.00 0.00 H new ATOM 356 N LEU A 34 -11.417 -2.230 6.001 1.00 0.00 N ATOM 357 CA LEU A 34 -11.747 -1.767 4.675 1.00 0.00 C ATOM 358 C LEU A 34 -12.288 -2.913 3.805 1.00 0.00 C ATOM 359 O LEU A 34 -13.287 -2.816 3.105 1.00 0.00 O ATOM 360 CB LEU A 34 -10.566 -1.051 4.026 1.00 0.00 C ATOM 361 CG LEU A 34 -11.021 -0.092 2.928 1.00 0.00 C ATOM 362 CD1 LEU A 34 -12.223 0.800 3.239 1.00 0.00 C ATOM 363 CD2 LEU A 34 -9.874 0.866 2.615 1.00 0.00 C ATOM 0 H LEU A 34 -10.411 -2.270 6.165 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.547 -1.032 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.013 -0.498 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.881 -1.787 3.605 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.319 -0.753 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.441 1.431 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.090 0.178 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.997 1.428 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.182 1.559 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.612 1.426 3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.008 0.298 2.277 1.00 0.00 H new ATOM 375 N GLY A 35 -11.681 -4.069 4.109 1.00 0.00 N ATOM 376 CA GLY A 35 -12.021 -5.376 3.597 1.00 0.00 C ATOM 377 C GLY A 35 -11.532 -5.590 2.175 1.00 0.00 C ATOM 378 O GLY A 35 -11.493 -6.689 1.630 1.00 0.00 O ATOM 0 H GLY A 35 -10.895 -4.103 4.758 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.590 -6.140 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.103 -5.505 3.629 1.00 0.00 H new ATOM 382 N ILE A 36 -11.120 -4.496 1.523 1.00 0.00 N ATOM 383 CA ILE A 36 -10.784 -4.472 0.104 1.00 0.00 C ATOM 384 C ILE A 36 -9.477 -5.229 -0.148 1.00 0.00 C ATOM 385 O ILE A 36 -8.595 -5.343 0.696 1.00 0.00 O ATOM 386 CB ILE A 36 -10.751 -3.086 -0.518 1.00 0.00 C ATOM 387 CG1 ILE A 36 -9.562 -2.285 0.017 1.00 0.00 C ATOM 388 CG2 ILE A 36 -12.103 -2.412 -0.318 1.00 0.00 C ATOM 389 CD1 ILE A 36 -9.519 -0.941 -0.694 1.00 0.00 C ATOM 0 H ILE A 36 -11.011 -3.590 1.979 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.603 -4.982 -0.403 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.592 -3.151 -1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.658 -2.140 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.633 -2.831 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.083 -1.417 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.881 -3.008 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.314 -2.328 0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.676 -0.359 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.405 -1.100 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.445 -0.399 -0.504 1.00 0.00 H new ATOM 401 N SER A 37 -9.268 -5.758 -1.357 1.00 0.00 N ATOM 402 CA SER A 37 -8.252 -6.721 -1.681 1.00 0.00 C ATOM 403 C SER A 37 -6.983 -6.095 -2.269 1.00 0.00 C ATOM 404 O SER A 37 -6.901 -4.876 -2.381 1.00 0.00 O ATOM 405 CB SER A 37 -8.813 -7.741 -2.669 1.00 0.00 C ATOM 406 OG SER A 37 -9.096 -7.264 -3.959 1.00 0.00 O ATOM 0 H SER A 37 -9.838 -5.504 -2.164 1.00 0.00 H new ATOM 0 HA SER A 37 -7.965 -7.199 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.101 -8.561 -2.756 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.729 -8.157 -2.249 1.00 0.00 H new ATOM 0 HG SER A 37 -9.447 -7.996 -4.509 1.00 0.00 H new ATOM 412 N GLN A 38 -5.926 -6.885 -2.517 1.00 0.00 N ATOM 413 CA GLN A 38 -4.883 -6.430 -3.412 1.00 0.00 C ATOM 414 C GLN A 38 -5.395 -5.930 -4.752 1.00 0.00 C ATOM 415 O GLN A 38 -4.794 -4.943 -5.167 1.00 0.00 O ATOM 416 CB GLN A 38 -3.825 -7.514 -3.639 1.00 0.00 C ATOM 417 CG GLN A 38 -3.004 -7.891 -2.406 1.00 0.00 C ATOM 418 CD GLN A 38 -1.879 -8.880 -2.624 1.00 0.00 C ATOM 419 OE1 GLN A 38 -1.963 -9.888 -3.340 1.00 0.00 O ATOM 420 NE2 GLN A 38 -0.798 -8.640 -1.886 1.00 0.00 N ATOM 0 H GLN A 38 -5.784 -7.813 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.432 -5.577 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.320 -8.410 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.144 -7.176 -4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.581 -6.979 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.681 -8.303 -1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.753 -7.803 -1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.015 -9.293 -1.902 1.00 0.00 H new ATOM 429 N GLN A 39 -6.377 -6.599 -5.351 1.00 0.00 N ATOM 430 CA GLN A 39 -6.888 -6.272 -6.672 1.00 0.00 C ATOM 431 C GLN A 39 -7.463 -4.859 -6.674 1.00 0.00 C ATOM 432 O GLN A 39 -7.326 -4.098 -7.625 1.00 0.00 O ATOM 433 CB GLN A 39 -7.723 -7.440 -7.203 1.00 0.00 C ATOM 434 CG GLN A 39 -6.907 -8.647 -7.643 1.00 0.00 C ATOM 435 CD GLN A 39 -6.264 -9.376 -6.462 1.00 0.00 C ATOM 436 OE1 GLN A 39 -6.738 -9.400 -5.330 1.00 0.00 O ATOM 437 NE2 GLN A 39 -5.163 -10.075 -6.723 1.00 0.00 N ATOM 0 H GLN A 39 -6.846 -7.397 -4.921 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.113 -6.188 -7.433 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.423 -7.753 -6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.318 -7.091 -8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.550 -9.339 -8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.129 -8.324 -8.335 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.761 -10.062 -7.660 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.721 -10.624 -5.986 1.00 0.00 H new ATOM 446 N GLN A 40 -8.171 -4.469 -5.611 1.00 0.00 N ATOM 447 CA GLN A 40 -8.810 -3.187 -5.437 1.00 0.00 C ATOM 448 C GLN A 40 -7.829 -2.046 -5.170 1.00 0.00 C ATOM 449 O GLN A 40 -8.100 -0.915 -5.560 1.00 0.00 O ATOM 450 CB GLN A 40 -9.840 -3.385 -4.332 1.00 0.00 C ATOM 451 CG GLN A 40 -11.061 -4.223 -4.703 1.00 0.00 C ATOM 452 CD GLN A 40 -12.024 -4.576 -3.579 1.00 0.00 C ATOM 453 OE1 GLN A 40 -11.762 -5.532 -2.864 1.00 0.00 O ATOM 454 NE2 GLN A 40 -13.136 -3.861 -3.436 1.00 0.00 N ATOM 0 H GLN A 40 -8.314 -5.084 -4.810 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.294 -2.865 -6.359 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.346 -3.854 -3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.183 -2.405 -4.001 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.619 -3.687 -5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.710 -5.152 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.317 -3.070 -4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.808 -4.103 -2.708 1.00 0.00 H new ATOM 463 N LEU A 41 -6.733 -2.340 -4.450 1.00 0.00 N ATOM 464 CA LEU A 41 -5.788 -1.310 -4.086 1.00 0.00 C ATOM 465 C LEU A 41 -4.927 -0.826 -5.257 1.00 0.00 C ATOM 466 O LEU A 41 -4.468 0.312 -5.317 1.00 0.00 O ATOM 467 CB LEU A 41 -5.044 -1.878 -2.878 1.00 0.00 C ATOM 468 CG LEU A 41 -3.951 -1.047 -2.206 1.00 0.00 C ATOM 469 CD1 LEU A 41 -4.478 0.244 -1.605 1.00 0.00 C ATOM 470 CD2 LEU A 41 -3.236 -1.832 -1.106 1.00 0.00 C ATOM 0 H LEU A 41 -6.495 -3.275 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.270 -0.372 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.789 -2.114 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.593 -2.821 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.249 -0.803 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.657 0.792 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.925 0.855 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.231 0.014 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.467 -1.206 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.957 -2.129 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.774 -2.721 -1.535 1.00 0.00 H new ATOM 482 N ALA A 42 -4.724 -1.716 -6.222 1.00 0.00 N ATOM 483 CA ALA A 42 -4.127 -1.385 -7.508 1.00 0.00 C ATOM 484 C ALA A 42 -5.046 -0.377 -8.181 1.00 0.00 C ATOM 485 O ALA A 42 -4.507 0.438 -8.928 1.00 0.00 O ATOM 486 CB ALA A 42 -3.895 -2.747 -8.167 1.00 0.00 C ATOM 0 H ALA A 42 -4.973 -2.701 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.163 -0.877 -7.520 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.444 -2.604 -9.149 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.228 -3.343 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.848 -3.265 -8.277 1.00 0.00 H new ATOM 492 N GLN A 43 -6.376 -0.465 -8.055 1.00 0.00 N ATOM 493 CA GLN A 43 -7.372 0.402 -8.625 1.00 0.00 C ATOM 494 C GLN A 43 -7.408 1.750 -7.909 1.00 0.00 C ATOM 495 O GLN A 43 -7.594 2.814 -8.496 1.00 0.00 O ATOM 496 CB GLN A 43 -8.734 -0.258 -8.847 1.00 0.00 C ATOM 497 CG GLN A 43 -8.824 -1.495 -9.741 1.00 0.00 C ATOM 498 CD GLN A 43 -8.245 -1.439 -11.153 1.00 0.00 C ATOM 499 OE1 GLN A 43 -8.308 -0.513 -11.949 1.00 0.00 O ATOM 500 NE2 GLN A 43 -7.655 -2.553 -11.551 1.00 0.00 N ATOM 0 H GLN A 43 -6.800 -1.211 -7.504 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.058 0.617 -9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.131 -0.530 -7.869 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.401 0.497 -9.263 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.332 -2.315 -9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.878 -1.760 -9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -7.583 -3.347 -10.915 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -7.272 -2.618 -12.494 1.00 0.00 H new ATOM 509 N LYS A 44 -7.103 1.814 -6.605 1.00 0.00 N ATOM 510 CA LYS A 44 -7.077 2.984 -5.763 1.00 0.00 C ATOM 511 C LYS A 44 -5.964 3.938 -6.160 1.00 0.00 C ATOM 512 O LYS A 44 -6.020 5.139 -5.864 1.00 0.00 O ATOM 513 CB LYS A 44 -6.963 2.448 -4.338 1.00 0.00 C ATOM 514 CG LYS A 44 -7.327 3.439 -3.238 1.00 0.00 C ATOM 515 CD LYS A 44 -8.840 3.383 -2.998 1.00 0.00 C ATOM 516 CE LYS A 44 -9.244 4.409 -1.940 1.00 0.00 C ATOM 517 NZ LYS A 44 -10.696 4.597 -1.871 1.00 0.00 N ATOM 0 H LYS A 44 -6.850 0.973 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.976 3.592 -5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.607 1.573 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.940 2.110 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.791 3.197 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.028 4.447 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.371 3.581 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.128 2.383 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.875 4.087 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.767 5.363 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.920 5.302 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.047 4.930 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.152 3.693 -1.633 1.00 0.00 H new ATOM 531 N LEU A 45 -4.940 3.369 -6.796 1.00 0.00 N ATOM 532 CA LEU A 45 -3.621 3.927 -7.049 1.00 0.00 C ATOM 533 C LEU A 45 -3.315 3.882 -8.534 1.00 0.00 C ATOM 534 O LEU A 45 -2.279 4.389 -8.940 1.00 0.00 O ATOM 535 CB LEU A 45 -2.600 3.103 -6.264 1.00 0.00 C ATOM 536 CG LEU A 45 -2.510 3.225 -4.747 1.00 0.00 C ATOM 537 CD1 LEU A 45 -1.596 2.112 -4.220 1.00 0.00 C ATOM 538 CD2 LEU A 45 -1.958 4.617 -4.440 1.00 0.00 C ATOM 0 H LEU A 45 -5.024 2.427 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.580 4.968 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.789 2.054 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.615 3.344 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.479 3.112 -4.261 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.521 2.186 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.012 1.141 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.604 2.217 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.877 4.747 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.973 4.726 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.630 5.373 -4.847 1.00 0.00 H new ATOM 550 N LYS A 46 -4.213 3.311 -9.342 1.00 0.00 N ATOM 551 CA LYS A 46 -4.133 2.974 -10.761 1.00 0.00 C ATOM 552 C LYS A 46 -2.951 2.150 -11.252 1.00 0.00 C ATOM 553 O LYS A 46 -3.021 1.740 -12.413 1.00 0.00 O ATOM 554 CB LYS A 46 -4.423 4.273 -11.506 1.00 0.00 C ATOM 555 CG LYS A 46 -5.819 4.814 -11.265 1.00 0.00 C ATOM 556 CD LYS A 46 -6.158 6.085 -12.032 1.00 0.00 C ATOM 557 CE LYS A 46 -6.015 5.938 -13.547 1.00 0.00 C ATOM 558 NZ LYS A 46 -5.735 7.225 -14.199 1.00 0.00 N ATOM 0 H LYS A 46 -5.123 3.043 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.880 2.213 -10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.694 5.025 -11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.286 4.107 -12.575 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.542 4.043 -11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.938 5.008 -10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.181 6.379 -11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.509 6.891 -11.690 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.211 5.236 -13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.931 5.514 -13.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.645 7.082 -15.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.514 7.887 -14.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.847 7.618 -13.825 1.00 0.00 H new ATOM 572 N VAL A 47 -2.082 1.663 -10.372 1.00 0.00 N ATOM 573 CA VAL A 47 -0.828 0.977 -10.628 1.00 0.00 C ATOM 574 C VAL A 47 -1.121 -0.508 -10.762 1.00 0.00 C ATOM 575 O VAL A 47 -2.281 -0.884 -10.944 1.00 0.00 O ATOM 576 CB VAL A 47 0.193 1.114 -9.489 1.00 0.00 C ATOM 577 CG1 VAL A 47 0.534 2.599 -9.393 1.00 0.00 C ATOM 578 CG2 VAL A 47 -0.393 0.709 -8.149 1.00 0.00 C ATOM 0 H VAL A 47 -2.258 1.748 -9.371 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.404 1.427 -11.526 1.00 0.00 H new ATOM 0 HB VAL A 47 1.050 0.475 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.260 2.755 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.957 2.937 -10.339 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.371 3.167 -9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.363 0.821 -7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.247 1.345 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.716 -0.331 -8.193 1.00 0.00 H new ATOM 588 N SER A 48 -0.080 -1.344 -10.764 1.00 0.00 N ATOM 589 CA SER A 48 -0.161 -2.775 -11.020 1.00 0.00 C ATOM 590 C SER A 48 -0.133 -3.599 -9.743 1.00 0.00 C ATOM 591 O SER A 48 0.297 -3.151 -8.671 1.00 0.00 O ATOM 592 CB SER A 48 0.994 -3.254 -11.897 1.00 0.00 C ATOM 593 OG SER A 48 2.178 -3.088 -11.152 1.00 0.00 O ATOM 0 H SER A 48 0.872 -1.028 -10.581 1.00 0.00 H new ATOM 0 HA SER A 48 -1.115 -2.921 -11.527 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.858 -4.299 -12.176 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.038 -2.680 -12.823 1.00 0.00 H new ATOM 0 HG SER A 48 2.944 -3.388 -11.684 1.00 0.00 H new ATOM 599 N GLU A 49 -0.640 -4.817 -9.897 1.00 0.00 N ATOM 600 CA GLU A 49 -0.681 -5.838 -8.861 1.00 0.00 C ATOM 601 C GLU A 49 0.696 -6.051 -8.252 1.00 0.00 C ATOM 602 O GLU A 49 0.812 -6.559 -7.139 1.00 0.00 O ATOM 603 CB GLU A 49 -1.305 -7.117 -9.396 1.00 0.00 C ATOM 604 CG GLU A 49 -2.085 -7.858 -8.301 1.00 0.00 C ATOM 605 CD GLU A 49 -2.279 -9.300 -8.734 1.00 0.00 C ATOM 606 OE1 GLU A 49 -3.144 -9.538 -9.604 1.00 0.00 O ATOM 607 OE2 GLU A 49 -1.524 -10.192 -8.283 1.00 0.00 O ATOM 0 H GLU A 49 -1.048 -5.130 -10.778 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.322 -5.495 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.973 -6.879 -10.224 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.525 -7.767 -9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.542 -7.817 -7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.050 -7.380 -8.135 1.00 0.00 H new ATOM 614 N ASN A 50 1.722 -5.878 -9.087 1.00 0.00 N ATOM 615 CA ASN A 50 3.113 -5.936 -8.694 1.00 0.00 C ATOM 616 C ASN A 50 3.631 -4.729 -7.910 1.00 0.00 C ATOM 617 O ASN A 50 4.542 -4.872 -7.094 1.00 0.00 O ATOM 618 CB ASN A 50 3.992 -6.294 -9.878 1.00 0.00 C ATOM 619 CG ASN A 50 5.419 -6.544 -9.408 1.00 0.00 C ATOM 620 OD1 ASN A 50 6.276 -5.679 -9.625 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.811 -7.775 -9.127 1.00 0.00 N ATOM 0 H ASN A 50 1.594 -5.689 -10.081 1.00 0.00 H new ATOM 0 HA ASN A 50 3.172 -6.741 -7.962 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.603 -7.182 -10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.977 -5.487 -10.610 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.806 -7.998 -9.092 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.119 -8.502 -8.945 1.00 0.00 H new ATOM 628 N ILE A 51 3.142 -3.505 -8.108 1.00 0.00 N ATOM 629 CA ILE A 51 3.457 -2.294 -7.362 1.00 0.00 C ATOM 630 C ILE A 51 2.808 -2.281 -5.988 1.00 0.00 C ATOM 631 O ILE A 51 3.290 -1.717 -5.020 1.00 0.00 O ATOM 632 CB ILE A 51 3.166 -1.076 -8.255 1.00 0.00 C ATOM 633 CG1 ILE A 51 4.260 -1.063 -9.316 1.00 0.00 C ATOM 634 CG2 ILE A 51 3.184 0.238 -7.482 1.00 0.00 C ATOM 635 CD1 ILE A 51 3.971 0.014 -10.380 1.00 0.00 C ATOM 0 H ILE A 51 2.466 -3.324 -8.850 1.00 0.00 H new ATOM 0 HA ILE A 51 4.519 -2.255 -7.121 1.00 0.00 H new ATOM 0 HB ILE A 51 2.166 -1.161 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.225 -0.870 -8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.326 -2.042 -9.790 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.973 1.063 -8.162 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.426 0.210 -6.699 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.166 0.382 -7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.763 0.008 -11.129 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.016 -0.197 -10.861 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.929 0.994 -9.904 1.00 0.00 H new ATOM 647 N VAL A 52 1.604 -2.844 -5.860 1.00 0.00 N ATOM 648 CA VAL A 52 1.002 -3.193 -4.595 1.00 0.00 C ATOM 649 C VAL A 52 1.783 -4.278 -3.845 1.00 0.00 C ATOM 650 O VAL A 52 2.205 -3.975 -2.739 1.00 0.00 O ATOM 651 CB VAL A 52 -0.523 -3.340 -4.559 1.00 0.00 C ATOM 652 CG1 VAL A 52 -1.183 -2.105 -5.142 1.00 0.00 C ATOM 653 CG2 VAL A 52 -1.116 -4.534 -5.309 1.00 0.00 C ATOM 0 H VAL A 52 1.015 -3.071 -6.661 1.00 0.00 H new ATOM 0 HA VAL A 52 1.113 -2.282 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.726 -3.493 -3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.266 -2.222 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.896 -1.230 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.862 -1.974 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.201 -4.525 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.850 -4.469 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.720 -5.459 -4.891 1.00 0.00 H new ATOM 663 N LYS A 53 1.962 -5.464 -4.438 1.00 0.00 N ATOM 664 CA LYS A 53 2.771 -6.504 -3.830 1.00 0.00 C ATOM 665 C LYS A 53 4.178 -6.175 -3.323 1.00 0.00 C ATOM 666 O LYS A 53 4.684 -6.884 -2.467 1.00 0.00 O ATOM 667 CB LYS A 53 2.810 -7.670 -4.822 1.00 0.00 C ATOM 668 CG LYS A 53 1.507 -8.449 -4.751 1.00 0.00 C ATOM 669 CD LYS A 53 1.479 -9.631 -5.725 1.00 0.00 C ATOM 670 CE LYS A 53 0.225 -10.445 -5.461 1.00 0.00 C ATOM 671 NZ LYS A 53 0.310 -11.791 -6.093 1.00 0.00 N ATOM 0 H LYS A 53 1.554 -5.719 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 53 2.274 -6.723 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.965 -7.294 -5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.650 -8.326 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.361 -8.816 -3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.675 -7.780 -4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.488 -9.273 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.367 -10.250 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.079 -10.554 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.644 -9.913 -5.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.561 -12.323 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.425 -11.685 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.126 -12.306 -5.705 1.00 0.00 H new ATOM 685 N ARG A 54 4.731 -5.067 -3.807 1.00 0.00 N ATOM 686 CA ARG A 54 6.120 -4.721 -3.552 1.00 0.00 C ATOM 687 C ARG A 54 6.485 -4.575 -2.075 1.00 0.00 C ATOM 688 O ARG A 54 7.579 -4.981 -1.685 1.00 0.00 O ATOM 689 CB ARG A 54 6.473 -3.445 -4.295 1.00 0.00 C ATOM 690 CG ARG A 54 7.969 -3.293 -4.492 1.00 0.00 C ATOM 691 CD ARG A 54 8.261 -2.020 -5.278 1.00 0.00 C ATOM 692 NE ARG A 54 9.655 -1.919 -5.724 1.00 0.00 N ATOM 693 CZ ARG A 54 10.141 -1.036 -6.597 1.00 0.00 C ATOM 694 NH1 ARG A 54 9.518 0.019 -7.133 1.00 0.00 N ATOM 695 NH2 ARG A 54 11.392 -1.230 -7.029 1.00 0.00 N ATOM 0 H ARG A 54 4.231 -4.390 -4.383 1.00 0.00 H new ATOM 0 HA ARG A 54 6.705 -5.565 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.978 -3.443 -5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.092 -2.587 -3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.470 -3.257 -3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.365 -4.158 -5.024 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.605 -1.980 -6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.022 -1.156 -4.658 1.00 0.00 H new ATOM 0 HE ARG A 54 10.315 -2.588 -5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.551 0.223 -6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.010 0.620 -7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.931 -2.027 -6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.807 -0.581 -7.697 1.00 0.00 H new ATOM 709 N PHE A 55 5.501 -4.109 -1.308 1.00 0.00 N ATOM 710 CA PHE A 55 5.632 -3.972 0.129 1.00 0.00 C ATOM 711 C PHE A 55 5.097 -5.207 0.818 1.00 0.00 C ATOM 712 O PHE A 55 5.750 -5.711 1.739 1.00 0.00 O ATOM 713 CB PHE A 55 4.835 -2.718 0.504 1.00 0.00 C ATOM 714 CG PHE A 55 3.328 -2.770 0.586 1.00 0.00 C ATOM 715 CD1 PHE A 55 2.640 -3.278 1.695 1.00 0.00 C ATOM 716 CD2 PHE A 55 2.585 -2.242 -0.472 1.00 0.00 C ATOM 717 CE1 PHE A 55 1.246 -3.308 1.801 1.00 0.00 C ATOM 718 CE2 PHE A 55 1.186 -2.254 -0.390 1.00 0.00 C ATOM 719 CZ PHE A 55 0.516 -2.785 0.725 1.00 0.00 C ATOM 0 H PHE A 55 4.594 -3.818 -1.671 1.00 0.00 H new ATOM 0 HA PHE A 55 6.671 -3.872 0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.200 -2.382 1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.092 -1.944 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.221 -3.670 2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.080 -1.831 -1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.754 -3.715 2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.608 -1.844 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.564 -2.790 0.753 1.00 0.00 H new ATOM 729 N GLU A 56 3.940 -5.749 0.439 1.00 0.00 N ATOM 730 CA GLU A 56 3.325 -6.970 0.939 1.00 0.00 C ATOM 731 C GLU A 56 4.367 -8.086 0.927 1.00 0.00 C ATOM 732 O GLU A 56 4.477 -8.902 1.836 1.00 0.00 O ATOM 733 CB GLU A 56 2.130 -7.432 0.135 1.00 0.00 C ATOM 734 CG GLU A 56 0.904 -6.513 0.159 1.00 0.00 C ATOM 735 CD GLU A 56 -0.200 -6.963 1.111 1.00 0.00 C ATOM 736 OE1 GLU A 56 -0.157 -6.590 2.302 1.00 0.00 O ATOM 737 OE2 GLU A 56 -1.180 -7.625 0.668 1.00 0.00 O ATOM 0 H GLU A 56 3.367 -5.309 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 56 2.967 -6.745 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.443 -7.560 -0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.830 -8.414 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.223 -5.509 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.494 -6.447 -0.849 1.00 0.00 H new ATOM 744 N SER A 57 5.333 -8.066 -0.008 1.00 0.00 N ATOM 745 CA SER A 57 6.411 -9.014 -0.158 1.00 0.00 C ATOM 746 C SER A 57 7.722 -8.593 0.526 1.00 0.00 C ATOM 747 O SER A 57 8.554 -9.339 1.013 1.00 0.00 O ATOM 748 CB SER A 57 6.644 -9.231 -1.648 1.00 0.00 C ATOM 749 OG SER A 57 7.153 -8.057 -2.229 1.00 0.00 O ATOM 0 H SER A 57 5.369 -7.333 -0.717 1.00 0.00 H new ATOM 0 HA SER A 57 6.109 -9.934 0.343 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.342 -10.054 -1.800 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.710 -9.512 -2.134 1.00 0.00 H new ATOM 0 HG SER A 57 6.416 -7.440 -2.420 1.00 0.00 H new ATOM 755 N GLY A 58 7.904 -7.280 0.635 1.00 0.00 N ATOM 756 CA GLY A 58 8.998 -6.610 1.296 1.00 0.00 C ATOM 757 C GLY A 58 10.120 -6.183 0.351 1.00 0.00 C ATOM 758 O GLY A 58 11.144 -5.741 0.855 1.00 0.00 O ATOM 0 H GLY A 58 7.240 -6.619 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.615 -5.729 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.410 -7.271 2.058 1.00 0.00 H new ATOM 762 N LYS A 59 9.969 -6.258 -0.975 1.00 0.00 N ATOM 763 CA LYS A 59 10.912 -6.115 -2.063 1.00 0.00 C ATOM 764 C LYS A 59 11.062 -4.681 -2.541 1.00 0.00 C ATOM 765 O LYS A 59 10.944 -4.368 -3.720 1.00 0.00 O ATOM 766 CB LYS A 59 10.389 -7.046 -3.156 1.00 0.00 C ATOM 767 CG LYS A 59 10.095 -8.476 -2.709 1.00 0.00 C ATOM 768 CD LYS A 59 11.379 -9.242 -2.422 1.00 0.00 C ATOM 769 CE LYS A 59 11.079 -10.737 -2.270 1.00 0.00 C ATOM 770 NZ LYS A 59 12.319 -11.499 -2.015 1.00 0.00 N ATOM 0 H LYS A 59 9.040 -6.449 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 59 11.921 -6.381 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.476 -6.617 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.120 -7.078 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.472 -8.459 -1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.527 -8.992 -3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.092 -9.087 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.842 -8.862 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.378 -10.890 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.598 -11.109 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.092 -12.509 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.976 -11.369 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.763 -11.156 -1.139 1.00 0.00 H new ATOM 784 N LEU A 60 11.188 -3.702 -1.627 1.00 0.00 N ATOM 785 CA LEU A 60 10.944 -2.282 -1.772 1.00 0.00 C ATOM 786 C LEU A 60 12.176 -1.439 -1.484 1.00 0.00 C ATOM 787 O LEU A 60 12.922 -1.625 -0.528 1.00 0.00 O ATOM 788 CB LEU A 60 9.840 -1.874 -0.786 1.00 0.00 C ATOM 789 CG LEU A 60 8.717 -0.900 -1.137 1.00 0.00 C ATOM 790 CD1 LEU A 60 7.929 -0.674 0.155 1.00 0.00 C ATOM 791 CD2 LEU A 60 9.190 0.382 -1.797 1.00 0.00 C ATOM 0 H LEU A 60 11.494 -3.923 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 60 10.655 -2.104 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.357 -2.797 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.345 -1.459 0.086 1.00 0.00 H new ATOM 0 HG LEU A 60 8.076 -1.328 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.109 0.018 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.528 -1.624 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.588 -0.254 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.332 1.018 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.870 0.907 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.708 0.143 -2.726 1.00 0.00 H new ATOM 803 N LYS A 61 12.417 -0.442 -2.340 1.00 0.00 N ATOM 804 CA LYS A 61 13.549 0.438 -2.160 1.00 0.00 C ATOM 805 C LYS A 61 13.215 1.862 -1.745 1.00 0.00 C ATOM 806 O LYS A 61 13.264 2.685 -2.654 1.00 0.00 O ATOM 807 CB LYS A 61 14.381 0.162 -3.425 1.00 0.00 C ATOM 808 CG LYS A 61 15.096 -1.173 -3.482 1.00 0.00 C ATOM 809 CD LYS A 61 15.467 -1.702 -4.878 1.00 0.00 C ATOM 810 CE LYS A 61 16.451 -0.776 -5.577 1.00 0.00 C ATOM 811 NZ LYS A 61 16.668 -1.018 -7.022 1.00 0.00 N ATOM 0 H LYS A 61 11.841 -0.234 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 61 14.156 0.243 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.722 0.234 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.125 0.953 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 61 16.011 -1.094 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 61 14.467 -1.917 -2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.902 -2.697 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.566 -1.802 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.104 0.250 -5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 61 17.412 -0.853 -5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 17.355 -0.330 -7.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.034 -1.981 -7.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.767 -0.913 -7.531 1.00 0.00 H new ATOM 825 N PRO A 62 12.852 2.243 -0.525 1.00 0.00 N ATOM 826 CA PRO A 62 12.118 3.470 -0.216 1.00 0.00 C ATOM 827 C PRO A 62 13.011 4.688 -0.085 1.00 0.00 C ATOM 828 O PRO A 62 14.135 4.552 0.395 1.00 0.00 O ATOM 829 CB PRO A 62 11.407 3.259 1.112 1.00 0.00 C ATOM 830 CG PRO A 62 12.407 2.337 1.815 1.00 0.00 C ATOM 831 CD PRO A 62 12.802 1.413 0.659 1.00 0.00 C ATOM 0 HA PRO A 62 11.431 3.662 -1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.252 4.193 1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.428 2.795 0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.260 2.883 2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.956 1.792 2.644 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.769 0.946 0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.077 0.608 0.539 1.00 0.00 H new ATOM 839 N THR A 63 12.424 5.878 -0.260 1.00 0.00 N ATOM 840 CA THR A 63 12.961 7.187 0.028 1.00 0.00 C ATOM 841 C THR A 63 11.998 8.063 0.800 1.00 0.00 C ATOM 842 O THR A 63 10.921 7.555 1.111 1.00 0.00 O ATOM 843 CB THR A 63 13.431 7.863 -1.270 1.00 0.00 C ATOM 844 OG1 THR A 63 12.315 8.039 -2.121 1.00 0.00 O ATOM 845 CG2 THR A 63 14.529 7.087 -1.987 1.00 0.00 C ATOM 0 H THR A 63 11.480 5.940 -0.640 1.00 0.00 H new ATOM 0 HA THR A 63 13.822 7.050 0.682 1.00 0.00 H new ATOM 0 HB THR A 63 13.868 8.826 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.602 8.471 -2.952 1.00 0.00 H new ATOM 0 HG21 THR A 63 14.816 7.617 -2.895 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.395 6.994 -1.332 1.00 0.00 H new ATOM 0 HG23 THR A 63 14.162 6.094 -2.247 1.00 0.00 H new ATOM 853 N ILE A 64 12.415 9.275 1.189 1.00 0.00 N ATOM 854 CA ILE A 64 11.532 10.251 1.799 1.00 0.00 C ATOM 855 C ILE A 64 10.218 10.479 1.096 1.00 0.00 C ATOM 856 O ILE A 64 9.181 10.546 1.759 1.00 0.00 O ATOM 857 CB ILE A 64 12.364 11.529 1.928 1.00 0.00 C ATOM 858 CG1 ILE A 64 13.232 11.861 0.709 1.00 0.00 C ATOM 859 CG2 ILE A 64 13.217 11.447 3.191 1.00 0.00 C ATOM 860 CD1 ILE A 64 13.998 13.178 0.694 1.00 0.00 C ATOM 0 H ILE A 64 13.377 9.597 1.085 1.00 0.00 H new ATOM 0 HA ILE A 64 11.194 9.874 2.764 1.00 0.00 H new ATOM 0 HB ILE A 64 11.652 12.352 1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 64 13.957 11.056 0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.588 11.843 -0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 64 13.812 12.355 3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 64 12.569 11.343 4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.880 10.584 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 64 14.562 13.261 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 64 13.296 14.008 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 64 14.686 13.209 1.539 1.00 0.00 H new ATOM 872 N SER A 65 10.154 10.849 -0.192 1.00 0.00 N ATOM 873 CA SER A 65 8.902 10.786 -0.938 1.00 0.00 C ATOM 874 C SER A 65 8.109 9.484 -0.805 1.00 0.00 C ATOM 875 O SER A 65 6.888 9.539 -0.715 1.00 0.00 O ATOM 876 CB SER A 65 9.068 11.051 -2.429 1.00 0.00 C ATOM 877 OG SER A 65 9.891 10.037 -2.955 1.00 0.00 O ATOM 0 H SER A 65 10.951 11.191 -0.729 1.00 0.00 H new ATOM 0 HA SER A 65 8.336 11.585 -0.459 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.099 11.054 -2.927 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.515 12.031 -2.596 1.00 0.00 H new ATOM 0 HG SER A 65 10.014 10.182 -3.916 1.00 0.00 H new ATOM 883 N GLN A 66 8.743 8.324 -0.666 1.00 0.00 N ATOM 884 CA GLN A 66 8.169 6.998 -0.529 1.00 0.00 C ATOM 885 C GLN A 66 7.586 6.764 0.850 1.00 0.00 C ATOM 886 O GLN A 66 6.406 6.428 0.963 1.00 0.00 O ATOM 887 CB GLN A 66 9.068 5.859 -0.988 1.00 0.00 C ATOM 888 CG GLN A 66 9.324 5.906 -2.498 1.00 0.00 C ATOM 889 CD GLN A 66 10.303 4.875 -3.021 1.00 0.00 C ATOM 890 OE1 GLN A 66 10.041 3.684 -3.126 1.00 0.00 O ATOM 891 NE2 GLN A 66 11.426 5.324 -3.614 1.00 0.00 N ATOM 0 H GLN A 66 9.762 8.290 -0.645 1.00 0.00 H new ATOM 0 HA GLN A 66 7.340 6.983 -1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.018 5.910 -0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.608 4.906 -0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.373 5.776 -3.015 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.694 6.898 -2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 66 11.678 6.310 -3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.024 4.678 -4.128 1.00 0.00 H new ATOM 900 N ALA A 67 8.390 7.059 1.865 1.00 0.00 N ATOM 901 CA ALA A 67 7.984 7.270 3.234 1.00 0.00 C ATOM 902 C ALA A 67 6.718 8.111 3.316 1.00 0.00 C ATOM 903 O ALA A 67 5.719 7.612 3.841 1.00 0.00 O ATOM 904 CB ALA A 67 9.148 7.799 4.063 1.00 0.00 C ATOM 0 H ALA A 67 9.397 7.161 1.739 1.00 0.00 H new ATOM 0 HA ALA A 67 7.713 6.313 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.822 7.952 5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.965 7.078 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.490 8.746 3.647 1.00 0.00 H new ATOM 910 N ARG A 68 6.718 9.277 2.658 1.00 0.00 N ATOM 911 CA ARG A 68 5.579 10.167 2.661 1.00 0.00 C ATOM 912 C ARG A 68 4.362 9.533 1.994 1.00 0.00 C ATOM 913 O ARG A 68 3.222 9.934 2.220 1.00 0.00 O ATOM 914 CB ARG A 68 5.975 11.492 2.037 1.00 0.00 C ATOM 915 CG ARG A 68 6.505 12.550 2.988 1.00 0.00 C ATOM 916 CD ARG A 68 7.121 13.809 2.396 1.00 0.00 C ATOM 917 NE ARG A 68 8.496 13.636 1.929 1.00 0.00 N ATOM 918 CZ ARG A 68 9.003 13.878 0.711 1.00 0.00 C ATOM 919 NH1 ARG A 68 8.247 13.933 -0.404 1.00 0.00 N ATOM 920 NH2 ARG A 68 10.311 14.130 0.570 1.00 0.00 N ATOM 0 H ARG A 68 7.511 9.618 2.114 1.00 0.00 H new ATOM 0 HA ARG A 68 5.275 10.358 3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.735 11.300 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.106 11.900 1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.684 12.855 3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.256 12.080 3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.505 14.145 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.100 14.599 3.147 1.00 0.00 H new ATOM 0 HE ARG A 68 9.157 13.285 2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.239 13.787 -0.345 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.683 14.121 -1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.920 14.138 1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.698 14.314 -0.356 1.00 0.00 H new ATOM 934 N GLN A 69 4.582 8.720 0.967 1.00 0.00 N ATOM 935 CA GLN A 69 3.529 8.229 0.091 1.00 0.00 C ATOM 936 C GLN A 69 2.770 7.061 0.689 1.00 0.00 C ATOM 937 O GLN A 69 1.670 6.790 0.212 1.00 0.00 O ATOM 938 CB GLN A 69 4.122 7.892 -1.273 1.00 0.00 C ATOM 939 CG GLN A 69 4.291 9.143 -2.128 1.00 0.00 C ATOM 940 CD GLN A 69 5.071 8.817 -3.396 1.00 0.00 C ATOM 941 OE1 GLN A 69 6.404 8.739 -3.346 1.00 0.00 O flip ATOM 942 NE2 GLN A 69 4.503 8.530 -4.458 1.00 0.00 N flip ATOM 0 H GLN A 69 5.511 8.380 0.717 1.00 0.00 H new ATOM 0 HA GLN A 69 2.789 9.020 -0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.088 7.405 -1.142 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.475 7.182 -1.788 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.313 9.548 -2.389 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.813 9.912 -1.559 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.486 8.581 -4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.052 8.242 -5.268 1.00 0.00 H new ATOM 951 N LEU A 70 3.498 6.213 1.422 1.00 0.00 N ATOM 952 CA LEU A 70 3.203 4.887 1.940 1.00 0.00 C ATOM 953 C LEU A 70 2.240 4.849 3.110 1.00 0.00 C ATOM 954 O LEU A 70 1.253 4.114 3.020 1.00 0.00 O ATOM 955 CB LEU A 70 4.489 4.102 2.176 1.00 0.00 C ATOM 956 CG LEU A 70 5.122 3.605 0.880 1.00 0.00 C ATOM 957 CD1 LEU A 70 6.523 3.094 1.165 1.00 0.00 C ATOM 958 CD2 LEU A 70 4.200 2.615 0.160 1.00 0.00 C ATOM 0 H LEU A 70 4.440 6.488 1.700 1.00 0.00 H new ATOM 0 HA LEU A 70 2.640 4.377 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.203 4.733 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.276 3.250 2.822 1.00 0.00 H new ATOM 0 HG LEU A 70 5.239 4.425 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.976 2.739 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.128 3.901 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.473 2.275 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.677 2.277 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.011 1.758 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.256 3.105 -0.079 1.00 0.00 H new ATOM 970 N GLU A 71 2.478 5.646 4.152 1.00 0.00 N ATOM 971 CA GLU A 71 1.424 6.030 5.073 1.00 0.00 C ATOM 972 C GLU A 71 0.150 6.417 4.355 1.00 0.00 C ATOM 973 O GLU A 71 -0.954 6.193 4.840 1.00 0.00 O ATOM 974 CB GLU A 71 1.806 7.204 5.981 1.00 0.00 C ATOM 975 CG GLU A 71 2.375 6.638 7.271 1.00 0.00 C ATOM 976 CD GLU A 71 2.714 7.748 8.253 1.00 0.00 C ATOM 977 OE1 GLU A 71 1.805 8.503 8.691 1.00 0.00 O ATOM 978 OE2 GLU A 71 3.915 8.002 8.515 1.00 0.00 O ATOM 0 H GLU A 71 3.394 6.035 4.374 1.00 0.00 H new ATOM 0 HA GLU A 71 1.267 5.139 5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.540 7.842 5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.934 7.823 6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.654 5.957 7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.270 6.056 7.053 1.00 0.00 H new ATOM 985 N LYS A 72 0.209 7.046 3.175 1.00 0.00 N ATOM 986 CA LYS A 72 -0.950 7.715 2.604 1.00 0.00 C ATOM 987 C LYS A 72 -1.693 6.902 1.567 1.00 0.00 C ATOM 988 O LYS A 72 -2.669 7.415 1.029 1.00 0.00 O ATOM 989 CB LYS A 72 -0.479 9.041 2.021 1.00 0.00 C ATOM 990 CG LYS A 72 -0.089 10.105 3.034 1.00 0.00 C ATOM 991 CD LYS A 72 0.197 11.435 2.342 1.00 0.00 C ATOM 992 CE LYS A 72 0.810 12.435 3.299 1.00 0.00 C ATOM 993 NZ LYS A 72 2.266 12.206 3.438 1.00 0.00 N ATOM 0 H LYS A 72 1.051 7.102 2.602 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.676 7.865 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.378 8.849 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.272 9.441 1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.892 10.233 3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.793 9.781 3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.872 11.272 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.728 11.841 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.629 13.448 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.330 12.353 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.482 11.931 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.561 11.446 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.779 13.080 3.203 1.00 0.00 H new ATOM 1007 N ILE A 73 -1.404 5.602 1.386 1.00 0.00 N ATOM 1008 CA ILE A 73 -2.050 4.799 0.386 1.00 0.00 C ATOM 1009 C ILE A 73 -3.567 4.850 0.475 1.00 0.00 C ATOM 1010 O ILE A 73 -4.338 4.974 -0.477 1.00 0.00 O ATOM 1011 CB ILE A 73 -1.553 3.354 0.253 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -1.461 2.524 1.532 1.00 0.00 C ATOM 1013 CG2 ILE A 73 -0.240 3.414 -0.503 1.00 0.00 C ATOM 1014 CD1 ILE A 73 -1.102 1.041 1.488 1.00 0.00 C ATOM 0 H ILE A 73 -0.712 5.097 1.940 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.740 5.283 -0.540 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.318 2.797 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.727 3.010 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.426 2.603 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.156 2.406 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.405 3.859 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.474 4.020 0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.090 0.639 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.842 0.505 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.117 0.918 1.038 1.00 0.00 H new ATOM 1026 N LEU A 74 -4.074 4.608 1.693 1.00 0.00 N ATOM 1027 CA LEU A 74 -5.488 4.685 2.004 1.00 0.00 C ATOM 1028 C LEU A 74 -5.924 5.892 2.823 1.00 0.00 C ATOM 1029 O LEU A 74 -7.112 6.026 3.152 1.00 0.00 O ATOM 1030 CB LEU A 74 -5.806 3.427 2.801 1.00 0.00 C ATOM 1031 CG LEU A 74 -5.805 2.161 1.962 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -5.866 0.939 2.865 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -6.928 2.107 0.916 1.00 0.00 C ATOM 0 H LEU A 74 -3.496 4.351 2.493 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.023 4.781 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.077 3.321 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.783 3.541 3.270 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.871 2.167 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.865 0.036 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.999 0.932 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.777 0.973 3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.860 1.173 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.895 2.161 1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.827 2.948 0.230 1.00 0.00 H new ATOM 1045 N GLY A 75 -4.960 6.752 3.152 1.00 0.00 N ATOM 1046 CA GLY A 75 -5.128 8.018 3.834 1.00 0.00 C ATOM 1047 C GLY A 75 -5.590 7.919 5.289 1.00 0.00 C ATOM 1048 O GLY A 75 -5.878 8.911 5.952 1.00 0.00 O ATOM 0 H GLY A 75 -3.982 6.563 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.180 8.556 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.851 8.617 3.280 1.00 0.00 H new ATOM 1052 N ILE A 76 -5.799 6.735 5.854 1.00 0.00 N ATOM 1053 CA ILE A 76 -6.289 6.434 7.188 1.00 0.00 C ATOM 1054 C ILE A 76 -5.330 5.697 8.118 1.00 0.00 C ATOM 1055 O ILE A 76 -4.274 5.368 7.587 1.00 0.00 O ATOM 1056 CB ILE A 76 -7.639 5.770 6.947 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -7.472 4.407 6.293 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -8.655 6.646 6.221 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -8.712 3.518 6.401 1.00 0.00 C ATOM 0 H ILE A 76 -5.609 5.878 5.334 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.391 7.341 7.783 1.00 0.00 H new ATOM 0 HB ILE A 76 -8.075 5.619 7.935 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.226 4.546 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.627 3.894 6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.586 6.093 6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.845 7.545 6.807 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.261 6.926 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.519 2.563 5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.947 3.347 7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.555 4.009 5.916 1.00 0.00 H new ATOM 1071 N LYS A 77 -5.691 5.267 9.328 1.00 0.00 N ATOM 1072 CA LYS A 77 -4.783 4.681 10.299 1.00 0.00 C ATOM 1073 C LYS A 77 -5.574 4.179 11.490 1.00 0.00 C ATOM 1074 O LYS A 77 -6.632 4.781 11.665 1.00 0.00 O ATOM 1075 CB LYS A 77 -3.712 5.678 10.703 1.00 0.00 C ATOM 1076 CG LYS A 77 -4.123 7.013 11.309 1.00 0.00 C ATOM 1077 CD LYS A 77 -3.014 7.630 12.166 1.00 0.00 C ATOM 1078 CE LYS A 77 -3.275 9.113 12.418 1.00 0.00 C ATOM 1079 NZ LYS A 77 -2.258 9.582 13.369 1.00 0.00 N ATOM 0 H LYS A 77 -6.653 5.321 9.663 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.268 3.831 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.057 5.182 11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.113 5.891 9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.389 7.705 10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.015 6.873 11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.949 7.102 13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.053 7.506 11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.219 9.676 11.487 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.276 9.263 12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.406 10.593 13.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.336 9.043 14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.311 9.443 12.962 1.00 0.00 H new ATOM 1093 N LEU A 78 -5.163 3.101 12.167 1.00 0.00 N ATOM 1094 CA LEU A 78 -5.644 2.725 13.478 1.00 0.00 C ATOM 1095 C LEU A 78 -4.472 2.394 14.407 1.00 0.00 C ATOM 1096 O LEU A 78 -3.444 1.867 13.981 1.00 0.00 O ATOM 1097 CB LEU A 78 -6.759 1.691 13.459 1.00 0.00 C ATOM 1098 CG LEU A 78 -8.182 2.154 13.164 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -9.217 1.082 12.875 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -8.724 3.136 14.214 1.00 0.00 C ATOM 0 H LEU A 78 -4.466 2.455 11.797 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.143 3.595 13.905 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.497 0.936 12.718 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.767 1.196 14.430 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.041 2.668 12.213 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.182 1.551 12.683 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.912 0.508 12.000 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.301 0.416 13.734 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.740 3.428 13.948 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.729 2.656 15.193 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.089 4.021 14.247 1.00 0.00 H new