USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 755 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 88 ASN : amide:sc= -1.71! X(o=-3.9!,f=-3.9) USER MOD Set 1.2: A 91 ASN : amide:sc= -2.14! C(o=-3.9!,f=-6.9!) USER MOD Set 2.1: A 47 TYR OH : rot 23:sc= 1.44 USER MOD Set 2.2: A 101 TYR OH : rot 150:sc= 0.455 USER MOD Set 3.1: A 20 TYR OH : rot 180:sc= 0.244 USER MOD Set 3.2: A 27 LYS NZ :NH3+ 157:sc= 0.452 (180deg=0.00411) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -5.51! C(o=-5.5!,f=-5.9!) USER MOD Single : A 18 SER OG : rot -42:sc= 1.01 USER MOD Single : A 19 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.00069) USER MOD Single : A 21 ASN : amide:sc= -1.93! C(o=-1.9!,f=-10!) USER MOD Single : A 23 THR OG1 : rot -40:sc= 0.276 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 128:sc= 1.96 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00491 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -43:sc= 0.58 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -179:sc= 0 (180deg=-0.00177) USER MOD Single : A 59 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00139) USER MOD Single : A 62 SER OG : rot -179:sc= -0.0865 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 68 MET CE :methyl 160:sc= -0.153 (180deg=-0.606) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 0.464 (180deg=0.389) USER MOD Single : A 71 ASN : amide:sc= -3.14! C(o=-3.1!,f=-12!) USER MOD Single : A 76 SER OG : rot -83:sc= -1.35 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 95 THR OG1 : rot 78:sc= 0.994 USER MOD Single : A 96 LYS NZ :NH3+ 140:sc= 1.25 (180deg=0.0988) USER MOD Single : A 100 LYS NZ :NH3+ -163:sc= -0.08 (180deg=-0.491) USER MOD Single : A 109 SER OG : rot 43:sc= 0.197 USER MOD ----------------------------------------------------------------- ATOM 135 N LEU A 9 -13.345 3.373 6.691 1.00 0.00 N ATOM 136 CA LEU A 9 -12.542 2.175 6.687 1.00 0.00 C ATOM 137 C LEU A 9 -13.259 1.093 5.939 1.00 0.00 C ATOM 138 O LEU A 9 -14.464 0.896 6.115 1.00 0.00 O ATOM 139 CB LEU A 9 -12.085 1.696 8.135 1.00 0.00 C ATOM 140 CG LEU A 9 -13.122 1.182 9.180 1.00 0.00 C ATOM 141 CD1 LEU A 9 -14.252 2.148 9.396 1.00 0.00 C ATOM 142 CD2 LEU A 9 -13.617 -0.237 8.880 1.00 0.00 C ATOM 0 HA LEU A 9 -11.611 2.414 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.356 0.899 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.557 2.531 8.595 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.584 1.121 10.126 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.944 1.740 10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.855 3.097 9.757 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.778 2.309 8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.336 -0.540 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.095 -0.256 7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.772 -0.926 8.885 1.00 0.00 H new ATOM 154 N GLU A 10 -12.564 0.456 5.061 1.00 0.00 N ATOM 155 CA GLU A 10 -13.102 -0.654 4.362 1.00 0.00 C ATOM 156 C GLU A 10 -12.046 -1.724 4.289 1.00 0.00 C ATOM 157 O GLU A 10 -10.842 -1.415 4.258 1.00 0.00 O ATOM 158 CB GLU A 10 -13.560 -0.264 2.948 1.00 0.00 C ATOM 159 CG GLU A 10 -14.269 -1.393 2.222 1.00 0.00 C ATOM 160 CD GLU A 10 -14.677 -1.054 0.816 1.00 0.00 C ATOM 161 OE1 GLU A 10 -15.646 -0.279 0.632 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.049 -1.563 -0.123 1.00 0.00 O ATOM 0 H GLU A 10 -11.604 0.692 4.809 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.980 -1.019 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.228 0.595 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.694 0.048 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.615 -2.264 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.156 -1.675 2.789 1.00 0.00 H new ATOM 169 N GLU A 11 -12.456 -2.955 4.331 1.00 0.00 N ATOM 170 CA GLU A 11 -11.584 -4.016 4.095 1.00 0.00 C ATOM 171 C GLU A 11 -11.468 -4.247 2.623 1.00 0.00 C ATOM 172 O GLU A 11 -12.472 -4.385 1.918 1.00 0.00 O ATOM 173 CB GLU A 11 -12.059 -5.270 4.771 1.00 0.00 C ATOM 174 CG GLU A 11 -11.306 -6.488 4.310 1.00 0.00 C ATOM 175 CD GLU A 11 -11.709 -7.718 5.037 1.00 0.00 C ATOM 176 OE1 GLU A 11 -11.309 -7.885 6.193 1.00 0.00 O ATOM 177 OE2 GLU A 11 -12.471 -8.525 4.466 1.00 0.00 O ATOM 0 H GLU A 11 -13.417 -3.232 4.533 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.608 -3.758 4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.947 -5.163 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.122 -5.406 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.472 -6.631 3.242 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.237 -6.323 4.447 1.00 0.00 H new ATOM 184 N PHE A 12 -10.282 -4.267 2.172 1.00 0.00 N ATOM 185 CA PHE A 12 -9.983 -4.547 0.834 1.00 0.00 C ATOM 186 C PHE A 12 -9.207 -5.796 0.757 1.00 0.00 C ATOM 187 O PHE A 12 -8.307 -5.991 1.533 1.00 0.00 O ATOM 188 CB PHE A 12 -9.138 -3.463 0.254 1.00 0.00 C ATOM 189 CG PHE A 12 -9.819 -2.151 -0.010 1.00 0.00 C ATOM 190 CD1 PHE A 12 -9.865 -1.166 0.967 1.00 0.00 C ATOM 191 CD2 PHE A 12 -10.399 -1.895 -1.240 1.00 0.00 C ATOM 192 CE1 PHE A 12 -10.479 0.044 0.722 1.00 0.00 C ATOM 193 CE2 PHE A 12 -11.012 -0.685 -1.492 1.00 0.00 C ATOM 194 CZ PHE A 12 -11.053 0.286 -0.510 1.00 0.00 C ATOM 0 H PHE A 12 -9.461 -4.081 2.748 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.921 -4.631 0.285 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.302 -3.283 0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.717 -3.824 -0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.414 -1.350 1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.372 -2.651 -2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -10.511 0.801 1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -11.460 -0.497 -2.457 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.533 1.233 -0.706 1.00 0.00 H new ATOM 204 N THR A 13 -9.532 -6.646 -0.148 1.00 0.00 N ATOM 205 CA THR A 13 -8.728 -7.789 -0.332 1.00 0.00 C ATOM 206 C THR A 13 -7.725 -7.446 -1.453 1.00 0.00 C ATOM 207 O THR A 13 -7.993 -6.544 -2.241 1.00 0.00 O ATOM 208 CB THR A 13 -9.581 -9.012 -0.629 1.00 0.00 C ATOM 209 OG1 THR A 13 -10.652 -9.074 0.346 1.00 0.00 O ATOM 210 CG2 THR A 13 -8.757 -10.259 -0.498 1.00 0.00 C ATOM 0 H THR A 13 -10.341 -6.571 -0.765 1.00 0.00 H new ATOM 0 HA THR A 13 -8.178 -8.050 0.572 1.00 0.00 H new ATOM 0 HB THR A 13 -9.975 -8.938 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.213 -9.857 0.167 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.377 -11.129 -0.713 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.927 -10.222 -1.203 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.368 -10.333 0.517 1.00 0.00 H new ATOM 218 N ALA A 14 -6.618 -8.152 -1.525 1.00 0.00 N ATOM 219 CA ALA A 14 -5.458 -7.732 -2.343 1.00 0.00 C ATOM 220 C ALA A 14 -5.751 -7.471 -3.815 1.00 0.00 C ATOM 221 O ALA A 14 -5.396 -6.412 -4.333 1.00 0.00 O ATOM 222 CB ALA A 14 -4.333 -8.730 -2.208 1.00 0.00 C ATOM 0 H ALA A 14 -6.478 -9.032 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.169 -6.763 -1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.487 -8.408 -2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.027 -8.794 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.672 -9.709 -2.548 1.00 0.00 H new ATOM 228 N GLU A 15 -6.432 -8.384 -4.477 1.00 0.00 N ATOM 229 CA GLU A 15 -6.739 -8.187 -5.888 1.00 0.00 C ATOM 230 C GLU A 15 -7.814 -7.139 -6.056 1.00 0.00 C ATOM 231 O GLU A 15 -7.849 -6.407 -7.036 1.00 0.00 O ATOM 232 CB GLU A 15 -7.108 -9.495 -6.575 1.00 0.00 C ATOM 233 CG GLU A 15 -5.981 -10.515 -6.571 1.00 0.00 C ATOM 234 CD GLU A 15 -6.358 -11.790 -7.264 1.00 0.00 C ATOM 235 OE1 GLU A 15 -6.176 -11.889 -8.489 1.00 0.00 O ATOM 236 OE2 GLU A 15 -6.852 -12.723 -6.594 1.00 0.00 O ATOM 0 H GLU A 15 -6.780 -9.255 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.837 -7.823 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.979 -9.924 -6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.397 -9.287 -7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.105 -10.086 -7.058 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.698 -10.735 -5.542 1.00 0.00 H new ATOM 243 N GLN A 16 -8.673 -7.060 -5.067 1.00 0.00 N ATOM 244 CA GLN A 16 -9.753 -6.110 -5.061 1.00 0.00 C ATOM 245 C GLN A 16 -9.225 -4.687 -4.884 1.00 0.00 C ATOM 246 O GLN A 16 -9.794 -3.728 -5.411 1.00 0.00 O ATOM 247 CB GLN A 16 -10.847 -6.468 -4.021 1.00 0.00 C ATOM 248 CG GLN A 16 -11.626 -7.756 -4.345 1.00 0.00 C ATOM 249 CD GLN A 16 -10.932 -9.064 -3.961 1.00 0.00 C ATOM 250 OE1 GLN A 16 -11.158 -9.585 -2.888 1.00 0.00 O ATOM 251 NE2 GLN A 16 -10.052 -9.555 -4.791 1.00 0.00 N ATOM 0 H GLN A 16 -8.639 -7.657 -4.241 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.240 -6.160 -6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.381 -6.575 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.551 -5.639 -3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.589 -7.714 -3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.831 -7.775 -5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.883 -9.096 -5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.533 -10.398 -4.545 1.00 0.00 H new ATOM 260 N LEU A 17 -8.126 -4.583 -4.164 1.00 0.00 N ATOM 261 CA LEU A 17 -7.428 -3.327 -3.899 1.00 0.00 C ATOM 262 C LEU A 17 -6.858 -2.793 -5.234 1.00 0.00 C ATOM 263 O LEU A 17 -6.839 -1.587 -5.487 1.00 0.00 O ATOM 264 CB LEU A 17 -6.259 -3.639 -2.912 1.00 0.00 C ATOM 265 CG LEU A 17 -5.543 -2.478 -2.161 1.00 0.00 C ATOM 266 CD1 LEU A 17 -4.950 -1.447 -3.048 1.00 0.00 C ATOM 267 CD2 LEU A 17 -6.432 -1.855 -1.144 1.00 0.00 C ATOM 0 H LEU A 17 -7.676 -5.390 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.096 -2.581 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.646 -4.323 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.497 -4.181 -3.473 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.701 -2.949 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.472 -0.677 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.208 -1.910 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.734 -0.996 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.899 -1.049 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.319 -1.453 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.730 -2.606 -0.412 1.00 0.00 H new ATOM 279 N SER A 18 -6.448 -3.716 -6.090 1.00 0.00 N ATOM 280 CA SER A 18 -5.800 -3.416 -7.365 1.00 0.00 C ATOM 281 C SER A 18 -6.725 -2.739 -8.409 1.00 0.00 C ATOM 282 O SER A 18 -6.328 -2.512 -9.553 1.00 0.00 O ATOM 283 CB SER A 18 -5.189 -4.696 -7.910 1.00 0.00 C ATOM 284 OG SER A 18 -4.269 -5.232 -6.959 1.00 0.00 O ATOM 0 H SER A 18 -6.557 -4.715 -5.918 1.00 0.00 H new ATOM 0 HA SER A 18 -5.025 -2.674 -7.171 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.973 -5.423 -8.122 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.678 -4.494 -8.851 1.00 0.00 H new ATOM 0 HG SER A 18 -3.734 -4.506 -6.576 1.00 0.00 H new ATOM 290 N GLN A 19 -7.923 -2.392 -7.999 1.00 0.00 N ATOM 291 CA GLN A 19 -8.870 -1.704 -8.864 1.00 0.00 C ATOM 292 C GLN A 19 -8.880 -0.221 -8.486 1.00 0.00 C ATOM 293 O GLN A 19 -9.723 0.554 -8.920 1.00 0.00 O ATOM 294 CB GLN A 19 -10.256 -2.294 -8.662 1.00 0.00 C ATOM 295 CG GLN A 19 -10.320 -3.794 -8.875 1.00 0.00 C ATOM 296 CD GLN A 19 -11.677 -4.361 -8.552 1.00 0.00 C ATOM 297 OE1 GLN A 19 -12.552 -4.472 -9.413 1.00 0.00 O ATOM 298 NE2 GLN A 19 -11.883 -4.678 -7.310 1.00 0.00 N ATOM 0 H GLN A 19 -8.274 -2.576 -7.059 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.583 -1.820 -9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.594 -2.065 -7.651 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.951 -1.809 -9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.071 -4.022 -9.911 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.569 -4.279 -8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.134 -4.572 -6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.794 -5.033 -7.019 1.00 0.00 H new ATOM 307 N TYR A 20 -7.945 0.139 -7.640 1.00 0.00 N ATOM 308 CA TYR A 20 -7.780 1.494 -7.158 1.00 0.00 C ATOM 309 C TYR A 20 -6.353 1.910 -7.414 1.00 0.00 C ATOM 310 O TYR A 20 -5.740 2.697 -6.690 1.00 0.00 O ATOM 311 CB TYR A 20 -8.174 1.550 -5.676 1.00 0.00 C ATOM 312 CG TYR A 20 -9.637 1.190 -5.500 1.00 0.00 C ATOM 313 CD1 TYR A 20 -10.621 2.147 -5.679 1.00 0.00 C ATOM 314 CD2 TYR A 20 -10.032 -0.113 -5.219 1.00 0.00 C ATOM 315 CE1 TYR A 20 -11.951 1.824 -5.587 1.00 0.00 C ATOM 316 CE2 TYR A 20 -11.368 -0.442 -5.113 1.00 0.00 C ATOM 317 CZ TYR A 20 -12.320 0.532 -5.304 1.00 0.00 C ATOM 318 OH TYR A 20 -13.652 0.207 -5.241 1.00 0.00 O ATOM 0 H TYR A 20 -7.261 -0.514 -7.258 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.429 2.197 -7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.553 0.862 -5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.990 2.550 -5.282 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.336 3.166 -5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -9.283 -0.879 -5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -12.705 2.583 -5.737 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.663 -1.455 -4.882 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.747 -0.746 -5.032 1.00 0.00 H new ATOM 328 N ASN A 21 -5.872 1.400 -8.523 1.00 0.00 N ATOM 329 CA ASN A 21 -4.525 1.610 -9.030 1.00 0.00 C ATOM 330 C ASN A 21 -4.485 2.821 -9.971 1.00 0.00 C ATOM 331 O ASN A 21 -3.471 3.096 -10.622 1.00 0.00 O ATOM 332 CB ASN A 21 -4.066 0.350 -9.782 1.00 0.00 C ATOM 333 CG ASN A 21 -4.943 0.012 -10.985 1.00 0.00 C ATOM 334 OD1 ASN A 21 -6.138 0.344 -11.028 1.00 0.00 O ATOM 335 ND2 ASN A 21 -4.380 -0.656 -11.944 1.00 0.00 N ATOM 0 H ASN A 21 -6.430 0.799 -9.129 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.856 1.804 -8.192 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.039 0.490 -10.118 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.064 -0.495 -9.094 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.922 -0.924 -12.765 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.395 -0.913 -11.877 1.00 0.00 H new ATOM 342 N GLY A 22 -5.589 3.537 -10.038 1.00 0.00 N ATOM 343 CA GLY A 22 -5.654 4.720 -10.857 1.00 0.00 C ATOM 344 C GLY A 22 -6.069 4.496 -12.289 1.00 0.00 C ATOM 345 O GLY A 22 -6.108 5.452 -13.071 1.00 0.00 O ATOM 0 H GLY A 22 -6.449 3.317 -9.535 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.354 5.420 -10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.675 5.199 -10.851 1.00 0.00 H new ATOM 349 N THR A 23 -6.389 3.277 -12.669 1.00 0.00 N ATOM 350 CA THR A 23 -6.779 3.067 -14.060 1.00 0.00 C ATOM 351 C THR A 23 -8.262 2.950 -14.159 1.00 0.00 C ATOM 352 O THR A 23 -8.829 2.854 -15.251 1.00 0.00 O ATOM 353 CB THR A 23 -6.060 1.874 -14.735 1.00 0.00 C ATOM 354 OG1 THR A 23 -6.282 1.880 -16.155 1.00 0.00 O ATOM 355 CG2 THR A 23 -6.556 0.548 -14.173 1.00 0.00 C ATOM 0 H THR A 23 -6.391 2.449 -12.074 1.00 0.00 H new ATOM 0 HA THR A 23 -6.452 3.943 -14.620 1.00 0.00 H new ATOM 0 HB THR A 23 -4.995 1.982 -14.529 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.209 2.137 -16.340 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.035 -0.273 -14.665 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.361 0.512 -13.101 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.627 0.456 -14.351 1.00 0.00 H new ATOM 363 N ASP A 24 -8.892 2.967 -13.037 1.00 0.00 N ATOM 364 CA ASP A 24 -10.289 3.037 -13.027 1.00 0.00 C ATOM 365 C ASP A 24 -10.702 4.422 -13.371 1.00 0.00 C ATOM 366 O ASP A 24 -9.855 5.328 -13.455 1.00 0.00 O ATOM 367 CB ASP A 24 -10.893 2.528 -11.743 1.00 0.00 C ATOM 368 CG ASP A 24 -11.036 1.035 -11.769 1.00 0.00 C ATOM 369 OD1 ASP A 24 -10.022 0.321 -11.873 1.00 0.00 O ATOM 370 OD2 ASP A 24 -12.194 0.552 -11.763 1.00 0.00 O ATOM 0 H ASP A 24 -8.450 2.933 -12.118 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.685 2.363 -13.786 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.266 2.822 -10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.869 2.987 -11.589 1.00 0.00 H new ATOM 375 N GLU A 25 -11.949 4.655 -13.505 1.00 0.00 N ATOM 376 CA GLU A 25 -12.345 5.833 -14.053 1.00 0.00 C ATOM 377 C GLU A 25 -12.830 6.631 -12.979 1.00 0.00 C ATOM 378 O GLU A 25 -13.975 6.464 -12.536 1.00 0.00 O ATOM 379 CB GLU A 25 -13.374 5.609 -15.151 1.00 0.00 C ATOM 380 CG GLU A 25 -12.835 4.710 -16.254 1.00 0.00 C ATOM 381 CD GLU A 25 -13.819 4.441 -17.340 1.00 0.00 C ATOM 382 OE1 GLU A 25 -14.653 3.532 -17.176 1.00 0.00 O ATOM 383 OE2 GLU A 25 -13.755 5.121 -18.394 1.00 0.00 O ATOM 0 H GLU A 25 -12.700 4.021 -13.231 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.522 6.348 -14.548 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.271 5.162 -14.723 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.668 6.569 -15.575 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.947 5.172 -16.686 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.521 3.762 -15.817 1.00 0.00 H new ATOM 390 N SER A 26 -11.893 7.374 -12.423 1.00 0.00 N ATOM 391 CA SER A 26 -12.191 8.331 -11.403 1.00 0.00 C ATOM 392 C SER A 26 -12.373 7.731 -10.001 1.00 0.00 C ATOM 393 O SER A 26 -12.902 8.399 -9.110 1.00 0.00 O ATOM 394 CB SER A 26 -13.416 9.113 -11.813 1.00 0.00 C ATOM 395 OG SER A 26 -13.157 10.016 -12.866 1.00 0.00 O ATOM 0 H SER A 26 -10.906 7.323 -12.674 1.00 0.00 H new ATOM 0 HA SER A 26 -11.322 8.984 -11.316 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.199 8.420 -12.119 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.796 9.664 -10.952 1.00 0.00 H new ATOM 0 HG SER A 26 -13.980 10.496 -13.095 1.00 0.00 H new ATOM 401 N LYS A 27 -11.927 6.516 -9.773 1.00 0.00 N ATOM 402 CA LYS A 27 -12.047 5.970 -8.432 1.00 0.00 C ATOM 403 C LYS A 27 -10.807 6.306 -7.609 1.00 0.00 C ATOM 404 O LYS A 27 -9.731 6.502 -8.183 1.00 0.00 O ATOM 405 CB LYS A 27 -12.356 4.467 -8.414 1.00 0.00 C ATOM 406 CG LYS A 27 -13.642 4.110 -9.137 1.00 0.00 C ATOM 407 CD LYS A 27 -14.223 2.771 -8.662 1.00 0.00 C ATOM 408 CE LYS A 27 -13.273 1.601 -8.859 1.00 0.00 C ATOM 409 NZ LYS A 27 -13.871 0.334 -8.376 1.00 0.00 N ATOM 0 H LYS A 27 -11.494 5.904 -10.465 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.911 6.447 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.528 3.927 -8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.423 4.129 -7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.377 4.899 -8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.452 4.062 -10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.479 2.848 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.149 2.573 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.022 1.508 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.342 1.792 -8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.412 -0.470 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.732 0.254 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.889 0.327 -8.590 1.00 0.00 H new ATOM 423 N PRO A 28 -10.947 6.426 -6.265 1.00 0.00 N ATOM 424 CA PRO A 28 -9.835 6.768 -5.372 1.00 0.00 C ATOM 425 C PRO A 28 -8.637 5.852 -5.543 1.00 0.00 C ATOM 426 O PRO A 28 -8.771 4.677 -5.887 1.00 0.00 O ATOM 427 CB PRO A 28 -10.427 6.596 -3.976 1.00 0.00 C ATOM 428 CG PRO A 28 -11.877 6.809 -4.160 1.00 0.00 C ATOM 429 CD PRO A 28 -12.201 6.250 -5.508 1.00 0.00 C ATOM 0 HA PRO A 28 -9.458 7.770 -5.576 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.219 5.603 -3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.006 7.316 -3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.449 6.306 -3.380 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.127 7.869 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.490 5.201 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.030 6.783 -5.975 1.00 0.00 H new ATOM 437 N ILE A 29 -7.489 6.393 -5.299 1.00 0.00 N ATOM 438 CA ILE A 29 -6.267 5.672 -5.435 1.00 0.00 C ATOM 439 C ILE A 29 -5.893 5.217 -4.045 1.00 0.00 C ATOM 440 O ILE A 29 -6.005 5.997 -3.088 1.00 0.00 O ATOM 441 CB ILE A 29 -5.124 6.586 -5.952 1.00 0.00 C ATOM 442 CG1 ILE A 29 -5.600 7.498 -7.086 1.00 0.00 C ATOM 443 CG2 ILE A 29 -3.964 5.726 -6.453 1.00 0.00 C ATOM 444 CD1 ILE A 29 -6.075 6.785 -8.299 1.00 0.00 C ATOM 0 H ILE A 29 -7.372 7.360 -4.996 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.398 4.852 -6.141 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.799 7.213 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.407 8.128 -6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.782 8.161 -7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.163 6.371 -6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.591 5.107 -5.637 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.310 5.086 -7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.392 7.511 -9.047 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.266 6.176 -8.703 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.916 6.143 -8.038 1.00 0.00 H new ATOM 456 N TYR A 30 -5.439 4.012 -3.910 1.00 0.00 N ATOM 457 CA TYR A 30 -5.119 3.488 -2.631 1.00 0.00 C ATOM 458 C TYR A 30 -3.847 2.728 -2.726 1.00 0.00 C ATOM 459 O TYR A 30 -3.536 2.169 -3.772 1.00 0.00 O ATOM 460 CB TYR A 30 -6.231 2.564 -2.093 1.00 0.00 C ATOM 461 CG TYR A 30 -7.565 3.237 -1.786 1.00 0.00 C ATOM 462 CD1 TYR A 30 -7.686 4.135 -0.737 1.00 0.00 C ATOM 463 CD2 TYR A 30 -8.702 2.951 -2.528 1.00 0.00 C ATOM 464 CE1 TYR A 30 -8.895 4.728 -0.436 1.00 0.00 C ATOM 465 CE2 TYR A 30 -9.915 3.543 -2.237 1.00 0.00 C ATOM 466 CZ TYR A 30 -10.005 4.431 -1.187 1.00 0.00 C ATOM 467 OH TYR A 30 -11.221 5.025 -0.884 1.00 0.00 O ATOM 0 H TYR A 30 -5.282 3.368 -4.685 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.018 4.322 -1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.404 1.773 -2.823 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.870 2.085 -1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.816 4.375 -0.143 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.637 2.252 -3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -8.968 5.423 0.387 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.788 3.311 -2.829 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.905 4.709 -1.511 1.00 0.00 H new ATOM 477 N VAL A 31 -3.104 2.727 -1.676 1.00 0.00 N ATOM 478 CA VAL A 31 -1.893 1.970 -1.622 1.00 0.00 C ATOM 479 C VAL A 31 -1.855 1.233 -0.299 1.00 0.00 C ATOM 480 O VAL A 31 -2.428 1.710 0.692 1.00 0.00 O ATOM 481 CB VAL A 31 -0.615 2.860 -1.830 1.00 0.00 C ATOM 482 CG1 VAL A 31 -0.439 3.895 -0.775 1.00 0.00 C ATOM 483 CG2 VAL A 31 0.605 2.020 -1.922 1.00 0.00 C ATOM 0 H VAL A 31 -3.315 3.250 -0.826 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.883 1.256 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.768 3.388 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.462 4.474 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.303 4.559 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.347 3.411 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.476 2.659 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.723 1.447 -1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.513 1.336 -2.766 1.00 0.00 H new ATOM 493 N ALA A 32 -1.237 0.077 -0.277 1.00 0.00 N ATOM 494 CA ALA A 32 -1.200 -0.714 0.912 1.00 0.00 C ATOM 495 C ALA A 32 0.221 -0.933 1.391 1.00 0.00 C ATOM 496 O ALA A 32 1.060 -1.494 0.677 1.00 0.00 O ATOM 497 CB ALA A 32 -1.901 -2.038 0.685 1.00 0.00 C ATOM 0 H ALA A 32 -0.753 -0.332 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.728 -0.168 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.865 -2.630 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.940 -1.857 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.403 -2.580 -0.118 1.00 0.00 H new ATOM 503 N ILE A 33 0.485 -0.470 2.585 1.00 0.00 N ATOM 504 CA ILE A 33 1.761 -0.667 3.235 1.00 0.00 C ATOM 505 C ILE A 33 1.525 -1.435 4.498 1.00 0.00 C ATOM 506 O ILE A 33 0.648 -1.077 5.302 1.00 0.00 O ATOM 507 CB ILE A 33 2.516 0.663 3.508 1.00 0.00 C ATOM 508 CG1 ILE A 33 2.873 1.330 2.169 1.00 0.00 C ATOM 509 CG2 ILE A 33 3.769 0.435 4.372 1.00 0.00 C ATOM 510 CD1 ILE A 33 3.578 2.653 2.295 1.00 0.00 C ATOM 0 H ILE A 33 -0.185 0.061 3.142 1.00 0.00 H new ATOM 0 HA ILE A 33 2.412 -1.230 2.566 1.00 0.00 H new ATOM 0 HB ILE A 33 1.863 1.328 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.504 0.650 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.958 1.474 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.272 1.387 4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.477 0.002 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.447 -0.246 3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.790 3.048 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.943 3.354 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.513 2.517 2.838 1.00 0.00 H new ATOM 522 N LYS A 34 2.270 -2.510 4.633 1.00 0.00 N ATOM 523 CA LYS A 34 2.151 -3.508 5.676 1.00 0.00 C ATOM 524 C LYS A 34 0.868 -4.283 5.371 1.00 0.00 C ATOM 525 O LYS A 34 0.913 -5.394 4.859 1.00 0.00 O ATOM 526 CB LYS A 34 2.171 -2.876 7.109 1.00 0.00 C ATOM 527 CG LYS A 34 2.410 -3.855 8.273 1.00 0.00 C ATOM 528 CD LYS A 34 1.329 -4.918 8.394 1.00 0.00 C ATOM 529 CE LYS A 34 1.614 -5.898 9.512 1.00 0.00 C ATOM 530 NZ LYS A 34 0.612 -6.979 9.550 1.00 0.00 N ATOM 0 H LYS A 34 3.022 -2.725 3.978 1.00 0.00 H new ATOM 0 HA LYS A 34 3.007 -4.182 5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.948 -2.112 7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.220 -2.370 7.275 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.376 -4.342 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.465 -3.294 9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.367 -4.437 8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.246 -5.459 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.608 -6.326 9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.620 -5.372 10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.836 -7.633 10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.333 -6.572 9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.625 -7.496 8.648 1.00 0.00 H new ATOM 544 N GLY A 35 -0.245 -3.649 5.625 1.00 0.00 N ATOM 545 CA GLY A 35 -1.535 -4.176 5.300 1.00 0.00 C ATOM 546 C GLY A 35 -2.591 -3.126 5.512 1.00 0.00 C ATOM 547 O GLY A 35 -3.779 -3.426 5.566 1.00 0.00 O ATOM 0 H GLY A 35 -0.277 -2.733 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.548 -4.512 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.747 -5.047 5.920 1.00 0.00 H new ATOM 551 N ARG A 36 -2.155 -1.880 5.608 1.00 0.00 N ATOM 552 CA ARG A 36 -3.026 -0.794 5.875 1.00 0.00 C ATOM 553 C ARG A 36 -3.236 -0.067 4.556 1.00 0.00 C ATOM 554 O ARG A 36 -2.285 0.097 3.787 1.00 0.00 O ATOM 555 CB ARG A 36 -2.342 0.125 6.889 1.00 0.00 C ATOM 556 CG ARG A 36 -1.738 -0.618 8.082 1.00 0.00 C ATOM 557 CD ARG A 36 -1.074 0.334 9.071 1.00 0.00 C ATOM 558 NE ARG A 36 -2.036 1.247 9.705 1.00 0.00 N ATOM 559 CZ ARG A 36 -1.727 2.437 10.252 1.00 0.00 C ATOM 560 NH1 ARG A 36 -0.479 2.906 10.186 1.00 0.00 N ATOM 561 NH2 ARG A 36 -2.669 3.151 10.864 1.00 0.00 N ATOM 0 H ARG A 36 -1.177 -1.613 5.499 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.984 -1.118 6.282 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.555 0.686 6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.067 0.852 7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.519 -1.182 8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.004 -1.340 7.725 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.565 -0.245 9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.312 0.916 8.554 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.013 0.956 9.732 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.246 2.362 9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.251 3.809 10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.624 2.796 10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.436 4.053 11.279 1.00 0.00 H new ATOM 575 N VAL A 37 -4.446 0.322 4.275 1.00 0.00 N ATOM 576 CA VAL A 37 -4.765 0.992 3.027 1.00 0.00 C ATOM 577 C VAL A 37 -4.919 2.479 3.233 1.00 0.00 C ATOM 578 O VAL A 37 -5.684 2.916 4.097 1.00 0.00 O ATOM 579 CB VAL A 37 -6.032 0.404 2.390 1.00 0.00 C ATOM 580 CG1 VAL A 37 -6.404 1.149 1.128 1.00 0.00 C ATOM 581 CG2 VAL A 37 -5.793 -1.039 2.070 1.00 0.00 C ATOM 0 H VAL A 37 -5.244 0.189 4.896 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.932 0.826 2.343 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.856 0.502 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.305 0.711 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.588 2.197 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.588 1.077 0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.689 -1.464 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.959 -1.124 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.557 -1.581 2.986 1.00 0.00 H new ATOM 591 N PHE A 38 -4.195 3.250 2.456 1.00 0.00 N ATOM 592 CA PHE A 38 -4.210 4.697 2.583 1.00 0.00 C ATOM 593 C PHE A 38 -4.736 5.294 1.306 1.00 0.00 C ATOM 594 O PHE A 38 -4.569 4.698 0.232 1.00 0.00 O ATOM 595 CB PHE A 38 -2.787 5.213 2.795 1.00 0.00 C ATOM 596 CG PHE A 38 -1.925 4.229 3.489 1.00 0.00 C ATOM 597 CD1 PHE A 38 -2.154 3.871 4.784 1.00 0.00 C ATOM 598 CD2 PHE A 38 -0.913 3.631 2.810 1.00 0.00 C ATOM 599 CE1 PHE A 38 -1.381 2.925 5.390 1.00 0.00 C ATOM 600 CE2 PHE A 38 -0.132 2.699 3.400 1.00 0.00 C ATOM 601 CZ PHE A 38 -0.366 2.335 4.698 1.00 0.00 C ATOM 0 H PHE A 38 -3.581 2.899 1.721 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.838 4.975 3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.346 5.460 1.829 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.821 6.135 3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.955 4.341 5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.729 3.904 1.782 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.573 2.644 6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.676 2.242 2.848 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.250 1.585 5.171 1.00 0.00 H new ATOM 611 N ASP A 39 -5.359 6.445 1.401 1.00 0.00 N ATOM 612 CA ASP A 39 -5.828 7.139 0.209 1.00 0.00 C ATOM 613 C ASP A 39 -4.712 7.968 -0.361 1.00 0.00 C ATOM 614 O ASP A 39 -4.156 8.841 0.319 1.00 0.00 O ATOM 615 CB ASP A 39 -7.038 8.041 0.491 1.00 0.00 C ATOM 616 CG ASP A 39 -7.504 8.795 -0.760 1.00 0.00 C ATOM 617 OD1 ASP A 39 -6.952 9.877 -1.068 1.00 0.00 O ATOM 618 OD2 ASP A 39 -8.430 8.315 -1.458 1.00 0.00 O ATOM 0 H ASP A 39 -5.555 6.923 2.280 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.145 6.379 -0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.859 7.435 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.780 8.758 1.270 1.00 0.00 H new ATOM 623 N VAL A 40 -4.374 7.699 -1.582 1.00 0.00 N ATOM 624 CA VAL A 40 -3.353 8.442 -2.264 1.00 0.00 C ATOM 625 C VAL A 40 -3.932 9.168 -3.444 1.00 0.00 C ATOM 626 O VAL A 40 -3.221 9.548 -4.362 1.00 0.00 O ATOM 627 CB VAL A 40 -2.131 7.576 -2.684 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.303 7.211 -1.491 1.00 0.00 C ATOM 629 CG2 VAL A 40 -2.563 6.317 -3.387 1.00 0.00 C ATOM 0 H VAL A 40 -4.797 6.957 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.969 9.170 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.535 8.176 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.454 6.606 -1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.941 8.119 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.910 6.643 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.684 5.736 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.192 5.726 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.126 6.576 -4.283 1.00 0.00 H new ATOM 639 N THR A 41 -5.229 9.421 -3.383 1.00 0.00 N ATOM 640 CA THR A 41 -5.909 10.180 -4.412 1.00 0.00 C ATOM 641 C THR A 41 -5.463 11.633 -4.275 1.00 0.00 C ATOM 642 O THR A 41 -5.454 12.406 -5.236 1.00 0.00 O ATOM 643 CB THR A 41 -7.429 10.096 -4.220 1.00 0.00 C ATOM 644 OG1 THR A 41 -7.785 8.729 -4.028 1.00 0.00 O ATOM 645 CG2 THR A 41 -8.161 10.617 -5.453 1.00 0.00 C ATOM 0 H THR A 41 -5.834 9.108 -2.624 1.00 0.00 H new ATOM 0 HA THR A 41 -5.665 9.783 -5.397 1.00 0.00 H new ATOM 0 HB THR A 41 -7.710 10.702 -3.359 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.324 8.643 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.237 10.548 -5.294 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.886 11.657 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.883 10.019 -6.321 1.00 0.00 H new ATOM 653 N THR A 42 -5.056 11.969 -3.057 1.00 0.00 N ATOM 654 CA THR A 42 -4.509 13.266 -2.720 1.00 0.00 C ATOM 655 C THR A 42 -3.195 13.515 -3.487 1.00 0.00 C ATOM 656 O THR A 42 -2.779 14.664 -3.703 1.00 0.00 O ATOM 657 CB THR A 42 -4.267 13.344 -1.197 1.00 0.00 C ATOM 658 OG1 THR A 42 -3.493 12.199 -0.776 1.00 0.00 O ATOM 659 CG2 THR A 42 -5.588 13.365 -0.440 1.00 0.00 C ATOM 0 H THR A 42 -5.100 11.330 -2.263 1.00 0.00 H new ATOM 0 HA THR A 42 -5.222 14.038 -3.009 1.00 0.00 H new ATOM 0 HB THR A 42 -3.725 14.264 -0.978 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.337 12.247 0.190 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.393 13.420 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.170 14.234 -0.748 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.148 12.456 -0.660 1.00 0.00 H new ATOM 667 N GLY A 43 -2.568 12.431 -3.900 1.00 0.00 N ATOM 668 CA GLY A 43 -1.370 12.492 -4.674 1.00 0.00 C ATOM 669 C GLY A 43 -1.479 11.574 -5.865 1.00 0.00 C ATOM 670 O GLY A 43 -0.535 10.852 -6.195 1.00 0.00 O ATOM 0 H GLY A 43 -2.887 11.483 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.194 13.515 -5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.516 12.206 -4.061 1.00 0.00 H new ATOM 674 N LYS A 44 -2.651 11.595 -6.513 1.00 0.00 N ATOM 675 CA LYS A 44 -2.941 10.747 -7.673 1.00 0.00 C ATOM 676 C LYS A 44 -1.891 10.909 -8.765 1.00 0.00 C ATOM 677 O LYS A 44 -1.541 9.946 -9.427 1.00 0.00 O ATOM 678 CB LYS A 44 -4.319 11.069 -8.243 1.00 0.00 C ATOM 679 CG LYS A 44 -4.682 10.263 -9.479 1.00 0.00 C ATOM 680 CD LYS A 44 -5.956 10.769 -10.086 1.00 0.00 C ATOM 681 CE LYS A 44 -6.320 10.021 -11.358 1.00 0.00 C ATOM 682 NZ LYS A 44 -7.531 10.587 -11.995 1.00 0.00 N ATOM 0 H LYS A 44 -3.426 12.203 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.922 9.713 -7.328 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.070 10.891 -7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.360 12.130 -8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.875 10.325 -10.210 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.792 9.211 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.766 10.670 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.855 11.832 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.486 10.065 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.487 8.969 -11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.750 10.053 -12.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.333 10.522 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.362 11.584 -12.238 1.00 0.00 H new ATOM 696 N SER A 45 -1.391 12.122 -8.923 1.00 0.00 N ATOM 697 CA SER A 45 -0.356 12.431 -9.907 1.00 0.00 C ATOM 698 C SER A 45 0.881 11.519 -9.746 1.00 0.00 C ATOM 699 O SER A 45 1.583 11.232 -10.715 1.00 0.00 O ATOM 700 CB SER A 45 0.044 13.897 -9.781 1.00 0.00 C ATOM 701 OG SER A 45 -1.090 14.734 -9.944 1.00 0.00 O ATOM 0 H SER A 45 -1.690 12.927 -8.372 1.00 0.00 H new ATOM 0 HA SER A 45 -0.765 12.247 -10.900 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.498 14.074 -8.806 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.796 14.141 -10.532 1.00 0.00 H new ATOM 0 HG SER A 45 -0.819 15.672 -9.859 1.00 0.00 H new ATOM 707 N PHE A 46 1.123 11.059 -8.532 1.00 0.00 N ATOM 708 CA PHE A 46 2.239 10.186 -8.261 1.00 0.00 C ATOM 709 C PHE A 46 1.843 8.733 -8.500 1.00 0.00 C ATOM 710 O PHE A 46 2.585 7.958 -9.119 1.00 0.00 O ATOM 711 CB PHE A 46 2.690 10.324 -6.800 1.00 0.00 C ATOM 712 CG PHE A 46 3.139 11.690 -6.383 1.00 0.00 C ATOM 713 CD1 PHE A 46 4.418 12.121 -6.657 1.00 0.00 C ATOM 714 CD2 PHE A 46 2.285 12.529 -5.688 1.00 0.00 C ATOM 715 CE1 PHE A 46 4.842 13.364 -6.250 1.00 0.00 C ATOM 716 CE2 PHE A 46 2.699 13.777 -5.280 1.00 0.00 C ATOM 717 CZ PHE A 46 3.979 14.196 -5.560 1.00 0.00 C ATOM 0 H PHE A 46 0.554 11.281 -7.715 1.00 0.00 H new ATOM 0 HA PHE A 46 3.052 10.470 -8.929 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.866 10.020 -6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.507 9.624 -6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.095 11.476 -7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.281 12.200 -5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.848 13.690 -6.469 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.022 14.424 -4.742 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.310 15.174 -5.241 1.00 0.00 H new ATOM 727 N TYR A 47 0.667 8.376 -8.011 1.00 0.00 N ATOM 728 CA TYR A 47 0.213 7.009 -8.032 1.00 0.00 C ATOM 729 C TYR A 47 -0.658 6.667 -9.254 1.00 0.00 C ATOM 730 O TYR A 47 -0.193 5.989 -10.178 1.00 0.00 O ATOM 731 CB TYR A 47 -0.503 6.696 -6.708 1.00 0.00 C ATOM 732 CG TYR A 47 0.408 6.842 -5.503 1.00 0.00 C ATOM 733 CD1 TYR A 47 0.638 8.085 -4.929 1.00 0.00 C ATOM 734 CD2 TYR A 47 1.053 5.744 -4.957 1.00 0.00 C ATOM 735 CE1 TYR A 47 1.485 8.232 -3.856 1.00 0.00 C ATOM 736 CE2 TYR A 47 1.900 5.882 -3.874 1.00 0.00 C ATOM 737 CZ TYR A 47 2.113 7.129 -3.332 1.00 0.00 C ATOM 738 OH TYR A 47 2.969 7.275 -2.263 1.00 0.00 O ATOM 0 H TYR A 47 0.006 9.030 -7.591 1.00 0.00 H new ATOM 0 HA TYR A 47 1.090 6.369 -8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.358 7.363 -6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.894 5.679 -6.742 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.141 8.954 -5.334 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.891 4.765 -5.384 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.655 9.209 -3.428 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.392 5.016 -3.455 1.00 0.00 H new ATOM 0 HH TYR A 47 2.751 8.099 -1.779 1.00 0.00 H new ATOM 748 N GLY A 48 -1.881 7.184 -9.295 1.00 0.00 N ATOM 749 CA GLY A 48 -2.820 6.798 -10.334 1.00 0.00 C ATOM 750 C GLY A 48 -2.763 7.684 -11.553 1.00 0.00 C ATOM 751 O GLY A 48 -3.790 8.084 -12.087 1.00 0.00 O ATOM 0 H GLY A 48 -2.240 7.865 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.618 5.769 -10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.831 6.819 -9.926 1.00 0.00 H new ATOM 755 N SER A 49 -1.579 7.981 -11.985 1.00 0.00 N ATOM 756 CA SER A 49 -1.372 8.821 -13.135 1.00 0.00 C ATOM 757 C SER A 49 -0.251 8.234 -13.986 1.00 0.00 C ATOM 758 O SER A 49 0.259 8.885 -14.899 1.00 0.00 O ATOM 759 CB SER A 49 -1.019 10.247 -12.655 1.00 0.00 C ATOM 760 OG SER A 49 -0.823 11.159 -13.729 1.00 0.00 O ATOM 0 H SER A 49 -0.718 7.648 -11.551 1.00 0.00 H new ATOM 0 HA SER A 49 -2.275 8.872 -13.743 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.818 10.617 -12.012 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.114 10.207 -12.049 1.00 0.00 H new ATOM 0 HG SER A 49 -0.294 10.727 -14.432 1.00 0.00 H new ATOM 766 N GLY A 50 0.095 6.984 -13.713 1.00 0.00 N ATOM 767 CA GLY A 50 1.205 6.365 -14.403 1.00 0.00 C ATOM 768 C GLY A 50 2.527 6.984 -13.988 1.00 0.00 C ATOM 769 O GLY A 50 3.426 7.193 -14.812 1.00 0.00 O ATOM 0 H GLY A 50 -0.372 6.390 -13.028 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.218 5.296 -14.189 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.073 6.473 -15.480 1.00 0.00 H new ATOM 773 N GLY A 51 2.634 7.301 -12.714 1.00 0.00 N ATOM 774 CA GLY A 51 3.843 7.882 -12.186 1.00 0.00 C ATOM 775 C GLY A 51 4.802 6.842 -11.766 1.00 0.00 C ATOM 776 O GLY A 51 4.615 5.656 -12.040 1.00 0.00 O ATOM 0 H GLY A 51 1.894 7.164 -12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.303 8.519 -12.942 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.601 8.520 -11.336 1.00 0.00 H new ATOM 780 N ASP A 52 5.818 7.247 -11.094 1.00 0.00 N ATOM 781 CA ASP A 52 6.829 6.321 -10.665 1.00 0.00 C ATOM 782 C ASP A 52 6.358 5.553 -9.437 1.00 0.00 C ATOM 783 O ASP A 52 6.923 4.523 -9.068 1.00 0.00 O ATOM 784 CB ASP A 52 8.157 7.019 -10.427 1.00 0.00 C ATOM 785 CG ASP A 52 8.164 7.955 -9.246 1.00 0.00 C ATOM 786 OD1 ASP A 52 7.779 9.130 -9.419 1.00 0.00 O ATOM 787 OD2 ASP A 52 8.576 7.536 -8.149 1.00 0.00 O ATOM 0 H ASP A 52 5.981 8.217 -10.823 1.00 0.00 H new ATOM 0 HA ASP A 52 6.996 5.599 -11.464 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.930 6.264 -10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.424 7.581 -11.322 1.00 0.00 H new ATOM 792 N TYR A 53 5.303 6.052 -8.822 1.00 0.00 N ATOM 793 CA TYR A 53 4.691 5.402 -7.683 1.00 0.00 C ATOM 794 C TYR A 53 3.489 4.585 -8.150 1.00 0.00 C ATOM 795 O TYR A 53 2.677 4.134 -7.347 1.00 0.00 O ATOM 796 CB TYR A 53 4.225 6.433 -6.659 1.00 0.00 C ATOM 797 CG TYR A 53 5.313 7.304 -6.092 1.00 0.00 C ATOM 798 CD1 TYR A 53 6.005 6.931 -4.951 1.00 0.00 C ATOM 799 CD2 TYR A 53 5.637 8.511 -6.688 1.00 0.00 C ATOM 800 CE1 TYR A 53 6.991 7.737 -4.424 1.00 0.00 C ATOM 801 CE2 TYR A 53 6.615 9.320 -6.168 1.00 0.00 C ATOM 802 CZ TYR A 53 7.289 8.931 -5.038 1.00 0.00 C ATOM 803 OH TYR A 53 8.262 9.743 -4.516 1.00 0.00 O ATOM 0 H TYR A 53 4.847 6.921 -9.100 1.00 0.00 H new ATOM 0 HA TYR A 53 5.431 4.751 -7.217 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.475 7.072 -7.125 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.734 5.911 -5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.768 5.995 -4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.110 8.821 -7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.525 7.433 -3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.853 10.259 -6.646 1.00 0.00 H new ATOM 0 HH TYR A 53 8.349 10.547 -5.070 1.00 0.00 H new ATOM 813 N SER A 54 3.399 4.363 -9.448 1.00 0.00 N ATOM 814 CA SER A 54 2.280 3.644 -10.025 1.00 0.00 C ATOM 815 C SER A 54 2.321 2.157 -9.636 1.00 0.00 C ATOM 816 O SER A 54 1.323 1.466 -9.731 1.00 0.00 O ATOM 817 CB SER A 54 2.281 3.804 -11.552 1.00 0.00 C ATOM 818 OG SER A 54 1.111 3.268 -12.149 1.00 0.00 O ATOM 0 H SER A 54 4.094 4.673 -10.127 1.00 0.00 H new ATOM 0 HA SER A 54 1.357 4.068 -9.628 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.364 4.861 -11.805 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.158 3.308 -11.967 1.00 0.00 H new ATOM 0 HG SER A 54 1.153 3.393 -13.120 1.00 0.00 H new ATOM 824 N MET A 55 3.477 1.680 -9.162 1.00 0.00 N ATOM 825 CA MET A 55 3.604 0.265 -8.788 1.00 0.00 C ATOM 826 C MET A 55 2.990 0.074 -7.414 1.00 0.00 C ATOM 827 O MET A 55 2.699 -1.031 -6.993 1.00 0.00 O ATOM 828 CB MET A 55 5.078 -0.195 -8.722 1.00 0.00 C ATOM 829 CG MET A 55 6.019 0.426 -9.748 1.00 0.00 C ATOM 830 SD MET A 55 5.360 0.491 -11.442 1.00 0.00 S ATOM 831 CE MET A 55 5.117 -1.244 -11.798 1.00 0.00 C ATOM 0 H MET A 55 4.321 2.237 -9.030 1.00 0.00 H new ATOM 0 HA MET A 55 3.096 -0.327 -9.549 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.462 0.025 -7.726 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.106 -1.278 -8.842 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.265 1.439 -9.429 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.950 -0.140 -9.756 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.733 -1.357 -12.812 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.067 -1.770 -11.709 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.402 -1.664 -11.090 1.00 0.00 H new ATOM 841 N PHE A 56 2.811 1.188 -6.737 1.00 0.00 N ATOM 842 CA PHE A 56 2.271 1.239 -5.399 1.00 0.00 C ATOM 843 C PHE A 56 0.754 1.314 -5.482 1.00 0.00 C ATOM 844 O PHE A 56 0.042 0.705 -4.702 1.00 0.00 O ATOM 845 CB PHE A 56 2.780 2.509 -4.694 1.00 0.00 C ATOM 846 CG PHE A 56 4.273 2.627 -4.463 1.00 0.00 C ATOM 847 CD1 PHE A 56 5.188 2.539 -5.509 1.00 0.00 C ATOM 848 CD2 PHE A 56 4.750 2.877 -3.195 1.00 0.00 C ATOM 849 CE1 PHE A 56 6.538 2.689 -5.281 1.00 0.00 C ATOM 850 CE2 PHE A 56 6.095 3.025 -2.962 1.00 0.00 C ATOM 851 CZ PHE A 56 6.994 2.933 -4.005 1.00 0.00 C ATOM 0 H PHE A 56 3.044 2.107 -7.114 1.00 0.00 H new ATOM 0 HA PHE A 56 2.580 0.352 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.461 3.371 -5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.283 2.580 -3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.835 2.351 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.056 2.958 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.237 2.615 -6.101 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.450 3.214 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.052 3.052 -3.821 1.00 0.00 H new ATOM 861 N ALA A 57 0.287 2.105 -6.429 1.00 0.00 N ATOM 862 CA ALA A 57 -1.131 2.308 -6.676 1.00 0.00 C ATOM 863 C ALA A 57 -1.871 0.980 -6.836 1.00 0.00 C ATOM 864 O ALA A 57 -1.627 0.228 -7.785 1.00 0.00 O ATOM 865 CB ALA A 57 -1.319 3.167 -7.915 1.00 0.00 C ATOM 0 H ALA A 57 0.890 2.634 -7.059 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.555 2.819 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.383 3.316 -8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.837 4.133 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.871 2.669 -8.775 1.00 0.00 H new ATOM 871 N GLY A 58 -2.745 0.701 -5.892 1.00 0.00 N ATOM 872 CA GLY A 58 -3.534 -0.508 -5.891 1.00 0.00 C ATOM 873 C GLY A 58 -2.701 -1.752 -5.726 1.00 0.00 C ATOM 874 O GLY A 58 -3.067 -2.820 -6.218 1.00 0.00 O ATOM 0 H GLY A 58 -2.928 1.314 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.266 -0.457 -5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.092 -0.572 -6.825 1.00 0.00 H new ATOM 878 N LYS A 59 -1.584 -1.622 -5.072 1.00 0.00 N ATOM 879 CA LYS A 59 -0.735 -2.741 -4.843 1.00 0.00 C ATOM 880 C LYS A 59 -0.022 -2.645 -3.508 1.00 0.00 C ATOM 881 O LYS A 59 0.496 -1.590 -3.125 1.00 0.00 O ATOM 882 CB LYS A 59 0.247 -2.932 -6.026 1.00 0.00 C ATOM 883 CG LYS A 59 1.286 -4.049 -5.875 1.00 0.00 C ATOM 884 CD LYS A 59 0.695 -5.426 -5.550 1.00 0.00 C ATOM 885 CE LYS A 59 -0.307 -5.919 -6.589 1.00 0.00 C ATOM 886 NZ LYS A 59 0.296 -6.106 -7.918 1.00 0.00 N ATOM 0 H LYS A 59 -1.243 -0.741 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.359 -3.633 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.336 -3.127 -6.926 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.776 -1.993 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.859 -4.122 -6.799 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.986 -3.773 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.506 -6.150 -5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.206 -5.382 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.736 -6.863 -6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.127 -5.205 -6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.425 -6.458 -8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.668 -5.197 -8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.072 -6.795 -7.853 1.00 0.00 H new ATOM 900 N ASP A 60 -0.076 -3.727 -2.791 1.00 0.00 N ATOM 901 CA ASP A 60 0.679 -3.922 -1.582 1.00 0.00 C ATOM 902 C ASP A 60 2.167 -3.803 -1.859 1.00 0.00 C ATOM 903 O ASP A 60 2.776 -4.662 -2.470 1.00 0.00 O ATOM 904 CB ASP A 60 0.312 -5.262 -0.932 1.00 0.00 C ATOM 905 CG ASP A 60 0.124 -6.400 -1.937 1.00 0.00 C ATOM 906 OD1 ASP A 60 1.097 -6.995 -2.402 1.00 0.00 O ATOM 907 OD2 ASP A 60 -1.044 -6.709 -2.258 1.00 0.00 O ATOM 0 H ASP A 60 -0.663 -4.524 -3.035 1.00 0.00 H new ATOM 0 HA ASP A 60 0.422 -3.138 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.093 -5.539 -0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.607 -5.139 -0.359 1.00 0.00 H new ATOM 912 N ALA A 61 2.734 -2.713 -1.417 1.00 0.00 N ATOM 913 CA ALA A 61 4.113 -2.388 -1.711 1.00 0.00 C ATOM 914 C ALA A 61 4.994 -2.508 -0.487 1.00 0.00 C ATOM 915 O ALA A 61 6.103 -2.004 -0.477 1.00 0.00 O ATOM 916 CB ALA A 61 4.189 -0.975 -2.280 1.00 0.00 C ATOM 0 H ALA A 61 2.256 -2.020 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 61 4.482 -3.104 -2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.227 -0.728 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.599 -0.919 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.796 -0.267 -1.550 1.00 0.00 H new ATOM 922 N SER A 62 4.528 -3.240 0.498 1.00 0.00 N ATOM 923 CA SER A 62 5.212 -3.388 1.779 1.00 0.00 C ATOM 924 C SER A 62 6.666 -3.866 1.596 1.00 0.00 C ATOM 925 O SER A 62 7.599 -3.276 2.132 1.00 0.00 O ATOM 926 CB SER A 62 4.453 -4.405 2.589 1.00 0.00 C ATOM 927 OG SER A 62 3.067 -4.107 2.581 1.00 0.00 O ATOM 0 H SER A 62 3.652 -3.760 0.440 1.00 0.00 H new ATOM 0 HA SER A 62 5.244 -2.421 2.280 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.620 -5.402 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.824 -4.414 3.614 1.00 0.00 H new ATOM 0 HG SER A 62 2.587 -4.768 3.123 1.00 0.00 H new ATOM 933 N ARG A 63 6.836 -4.908 0.819 1.00 0.00 N ATOM 934 CA ARG A 63 8.150 -5.458 0.542 1.00 0.00 C ATOM 935 C ARG A 63 8.950 -4.547 -0.372 1.00 0.00 C ATOM 936 O ARG A 63 10.146 -4.368 -0.180 1.00 0.00 O ATOM 937 CB ARG A 63 8.019 -6.857 -0.069 1.00 0.00 C ATOM 938 CG ARG A 63 9.316 -7.428 -0.604 1.00 0.00 C ATOM 939 CD ARG A 63 9.128 -8.814 -1.173 1.00 0.00 C ATOM 940 NE ARG A 63 10.348 -9.299 -1.818 1.00 0.00 N ATOM 941 CZ ARG A 63 10.771 -10.563 -1.803 1.00 0.00 C ATOM 942 NH1 ARG A 63 10.053 -11.502 -1.206 1.00 0.00 N ATOM 943 NH2 ARG A 63 11.902 -10.885 -2.411 1.00 0.00 N ATOM 0 H ARG A 63 6.071 -5.402 0.359 1.00 0.00 H new ATOM 0 HA ARG A 63 8.691 -5.535 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.622 -7.535 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.291 -6.820 -0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.712 -6.769 -1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.056 -7.461 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.839 -9.499 -0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.312 -8.804 -1.896 1.00 0.00 H new ATOM 0 HE ARG A 63 10.919 -8.617 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.171 -11.260 -0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.382 -12.467 -1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.447 -10.167 -2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.229 -11.851 -2.402 1.00 0.00 H new ATOM 957 N ALA A 64 8.257 -3.887 -1.278 1.00 0.00 N ATOM 958 CA ALA A 64 8.887 -3.092 -2.323 1.00 0.00 C ATOM 959 C ALA A 64 9.585 -1.941 -1.697 1.00 0.00 C ATOM 960 O ALA A 64 10.604 -1.493 -2.155 1.00 0.00 O ATOM 961 CB ALA A 64 7.858 -2.606 -3.320 1.00 0.00 C ATOM 0 H ALA A 64 7.238 -3.884 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 64 9.607 -3.709 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.350 -2.014 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.364 -3.462 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.118 -1.991 -2.808 1.00 0.00 H new ATOM 967 N LEU A 65 9.010 -1.486 -0.637 1.00 0.00 N ATOM 968 CA LEU A 65 9.522 -0.418 0.144 1.00 0.00 C ATOM 969 C LEU A 65 10.871 -0.746 0.776 1.00 0.00 C ATOM 970 O LEU A 65 11.787 0.074 0.765 1.00 0.00 O ATOM 971 CB LEU A 65 8.528 -0.100 1.216 1.00 0.00 C ATOM 972 CG LEU A 65 7.196 0.434 0.768 1.00 0.00 C ATOM 973 CD1 LEU A 65 6.358 0.788 1.951 1.00 0.00 C ATOM 974 CD2 LEU A 65 7.374 1.617 -0.106 1.00 0.00 C ATOM 0 H LEU A 65 8.134 -1.865 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 65 9.682 0.437 -0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.353 -1.006 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.977 0.629 1.890 1.00 0.00 H new ATOM 0 HG LEU A 65 6.688 -0.343 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.396 1.174 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.199 -0.100 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.867 1.549 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.398 1.988 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.901 2.398 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.955 1.336 -0.985 1.00 0.00 H new ATOM 986 N GLY A 66 10.992 -1.942 1.306 1.00 0.00 N ATOM 987 CA GLY A 66 12.209 -2.317 1.987 1.00 0.00 C ATOM 988 C GLY A 66 13.277 -2.774 1.039 1.00 0.00 C ATOM 989 O GLY A 66 14.470 -2.717 1.348 1.00 0.00 O ATOM 0 H GLY A 66 10.272 -2.664 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.577 -1.467 2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.993 -3.114 2.698 1.00 0.00 H new ATOM 993 N LYS A 67 12.864 -3.234 -0.108 1.00 0.00 N ATOM 994 CA LYS A 67 13.797 -3.710 -1.094 1.00 0.00 C ATOM 995 C LYS A 67 14.165 -2.563 -2.038 1.00 0.00 C ATOM 996 O LYS A 67 15.234 -2.556 -2.640 1.00 0.00 O ATOM 997 CB LYS A 67 13.175 -4.845 -1.897 1.00 0.00 C ATOM 998 CG LYS A 67 12.475 -5.939 -1.067 1.00 0.00 C ATOM 999 CD LYS A 67 13.362 -6.643 -0.057 1.00 0.00 C ATOM 1000 CE LYS A 67 14.531 -7.296 -0.714 1.00 0.00 C ATOM 1001 NZ LYS A 67 15.326 -8.094 0.230 1.00 0.00 N ATOM 0 H LYS A 67 11.884 -3.290 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 67 14.692 -4.077 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.450 -4.421 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.956 -5.312 -2.497 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.633 -5.491 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.064 -6.684 -1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.714 -5.924 0.682 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.780 -7.392 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.180 -7.937 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.165 -6.533 -1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.127 -8.528 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.685 -7.479 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.730 -8.840 0.642 1.00 0.00 H new ATOM 1015 N MET A 68 13.222 -1.626 -2.175 1.00 0.00 N ATOM 1016 CA MET A 68 13.321 -0.390 -2.988 1.00 0.00 C ATOM 1017 C MET A 68 13.144 -0.738 -4.442 1.00 0.00 C ATOM 1018 O MET A 68 13.436 0.043 -5.356 1.00 0.00 O ATOM 1019 CB MET A 68 14.613 0.400 -2.719 1.00 0.00 C ATOM 1020 CG MET A 68 14.778 0.825 -1.271 1.00 0.00 C ATOM 1021 SD MET A 68 16.271 1.805 -0.975 1.00 0.00 S ATOM 1022 CE MET A 68 15.930 3.241 -1.994 1.00 0.00 C ATOM 0 H MET A 68 12.321 -1.704 -1.703 1.00 0.00 H new ATOM 0 HA MET A 68 12.518 0.285 -2.691 1.00 0.00 H new ATOM 0 HB2 MET A 68 15.468 -0.210 -3.009 1.00 0.00 H new ATOM 0 HB3 MET A 68 14.625 1.287 -3.352 1.00 0.00 H new ATOM 0 HG2 MET A 68 13.906 1.405 -0.969 1.00 0.00 H new ATOM 0 HG3 MET A 68 14.804 -0.063 -0.640 1.00 0.00 H new ATOM 0 HE1 MET A 68 16.548 4.076 -1.665 1.00 0.00 H new ATOM 0 HE2 MET A 68 16.156 3.010 -3.035 1.00 0.00 H new ATOM 0 HE3 MET A 68 14.878 3.511 -1.902 1.00 0.00 H new ATOM 1032 N SER A 69 12.582 -1.897 -4.630 1.00 0.00 N ATOM 1033 CA SER A 69 12.350 -2.465 -5.903 1.00 0.00 C ATOM 1034 C SER A 69 10.957 -2.067 -6.400 1.00 0.00 C ATOM 1035 O SER A 69 10.034 -1.885 -5.618 1.00 0.00 O ATOM 1036 CB SER A 69 12.541 -3.966 -5.775 1.00 0.00 C ATOM 1037 OG SER A 69 13.839 -4.239 -5.225 1.00 0.00 O ATOM 0 H SER A 69 12.264 -2.487 -3.861 1.00 0.00 H new ATOM 0 HA SER A 69 13.051 -2.095 -6.651 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.767 -4.388 -5.134 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.441 -4.441 -6.751 1.00 0.00 H new ATOM 0 HG SER A 69 13.961 -5.208 -5.141 1.00 0.00 H new ATOM 1043 N LYS A 70 10.846 -1.903 -7.692 1.00 0.00 N ATOM 1044 CA LYS A 70 9.654 -1.346 -8.321 1.00 0.00 C ATOM 1045 C LYS A 70 8.945 -2.403 -9.142 1.00 0.00 C ATOM 1046 O LYS A 70 7.778 -2.268 -9.496 1.00 0.00 O ATOM 1047 CB LYS A 70 10.143 -0.229 -9.193 1.00 0.00 C ATOM 1048 CG LYS A 70 10.941 0.773 -8.391 1.00 0.00 C ATOM 1049 CD LYS A 70 11.855 1.568 -9.260 1.00 0.00 C ATOM 1050 CE LYS A 70 12.700 2.542 -8.451 1.00 0.00 C ATOM 1051 NZ LYS A 70 13.611 1.850 -7.493 1.00 0.00 N ATOM 0 H LYS A 70 11.582 -2.152 -8.353 1.00 0.00 H new ATOM 0 HA LYS A 70 8.935 -0.990 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.760 -0.633 -9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.295 0.269 -9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.261 1.444 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.523 0.251 -7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.508 0.893 -9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.269 2.119 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.291 3.156 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.044 3.217 -7.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.280 2.538 -7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.051 1.424 -6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.138 1.105 -7.992 1.00 0.00 H new ATOM 1065 N ASN A 71 9.681 -3.429 -9.446 1.00 0.00 N ATOM 1066 CA ASN A 71 9.184 -4.611 -10.128 1.00 0.00 C ATOM 1067 C ASN A 71 8.036 -5.240 -9.344 1.00 0.00 C ATOM 1068 O ASN A 71 8.202 -5.615 -8.186 1.00 0.00 O ATOM 1069 CB ASN A 71 10.322 -5.646 -10.324 1.00 0.00 C ATOM 1070 CG ASN A 71 11.092 -5.974 -9.034 1.00 0.00 C ATOM 1071 OD1 ASN A 71 11.256 -5.141 -8.171 1.00 0.00 O ATOM 1072 ND2 ASN A 71 11.562 -7.170 -8.900 1.00 0.00 N ATOM 0 H ASN A 71 10.675 -3.479 -9.225 1.00 0.00 H new ATOM 0 HA ASN A 71 8.814 -4.307 -11.107 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.898 -6.566 -10.727 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.023 -5.265 -11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.079 -7.423 -8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.416 -7.861 -9.636 1.00 0.00 H new ATOM 1079 N GLU A 72 6.881 -5.374 -9.993 1.00 0.00 N ATOM 1080 CA GLU A 72 5.655 -5.900 -9.359 1.00 0.00 C ATOM 1081 C GLU A 72 5.859 -7.309 -8.787 1.00 0.00 C ATOM 1082 O GLU A 72 5.113 -7.747 -7.925 1.00 0.00 O ATOM 1083 CB GLU A 72 4.492 -5.891 -10.348 1.00 0.00 C ATOM 1084 CG GLU A 72 4.162 -4.509 -10.899 1.00 0.00 C ATOM 1085 CD GLU A 72 3.059 -4.534 -11.933 1.00 0.00 C ATOM 1086 OE1 GLU A 72 3.334 -4.894 -13.094 1.00 0.00 O ATOM 1087 OE2 GLU A 72 1.892 -4.210 -11.599 1.00 0.00 O ATOM 0 H GLU A 72 6.760 -5.123 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 72 5.417 -5.241 -8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.729 -6.556 -11.179 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.607 -6.297 -9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.867 -3.857 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.059 -4.077 -11.343 1.00 0.00 H new ATOM 1094 N GLU A 73 6.876 -7.993 -9.274 1.00 0.00 N ATOM 1095 CA GLU A 73 7.225 -9.321 -8.808 1.00 0.00 C ATOM 1096 C GLU A 73 7.756 -9.259 -7.357 1.00 0.00 C ATOM 1097 O GLU A 73 7.611 -10.207 -6.583 1.00 0.00 O ATOM 1098 CB GLU A 73 8.287 -9.899 -9.735 1.00 0.00 C ATOM 1099 CG GLU A 73 8.632 -11.357 -9.491 1.00 0.00 C ATOM 1100 CD GLU A 73 7.445 -12.266 -9.680 1.00 0.00 C ATOM 1101 OE1 GLU A 73 7.086 -12.548 -10.839 1.00 0.00 O ATOM 1102 OE2 GLU A 73 6.855 -12.715 -8.680 1.00 0.00 O ATOM 0 H GLU A 73 7.488 -7.640 -10.010 1.00 0.00 H new ATOM 0 HA GLU A 73 6.341 -9.958 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.946 -9.790 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.196 -9.305 -9.635 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.429 -11.658 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.017 -11.472 -8.478 1.00 0.00 H new ATOM 1109 N ASP A 74 8.367 -8.143 -7.000 1.00 0.00 N ATOM 1110 CA ASP A 74 8.898 -7.959 -5.651 1.00 0.00 C ATOM 1111 C ASP A 74 7.886 -7.200 -4.810 1.00 0.00 C ATOM 1112 O ASP A 74 7.840 -7.343 -3.592 1.00 0.00 O ATOM 1113 CB ASP A 74 10.238 -7.208 -5.688 1.00 0.00 C ATOM 1114 CG ASP A 74 10.906 -7.066 -4.323 1.00 0.00 C ATOM 1115 OD1 ASP A 74 11.697 -7.980 -3.923 1.00 0.00 O ATOM 1116 OD2 ASP A 74 10.705 -6.059 -3.663 1.00 0.00 O ATOM 0 H ASP A 74 8.510 -7.347 -7.622 1.00 0.00 H new ATOM 0 HA ASP A 74 9.077 -8.937 -5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.917 -7.730 -6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.075 -6.215 -6.107 1.00 0.00 H new ATOM 1121 N VAL A 75 7.049 -6.410 -5.479 1.00 0.00 N ATOM 1122 CA VAL A 75 6.017 -5.643 -4.792 1.00 0.00 C ATOM 1123 C VAL A 75 5.022 -6.651 -4.181 1.00 0.00 C ATOM 1124 O VAL A 75 4.336 -7.395 -4.898 1.00 0.00 O ATOM 1125 CB VAL A 75 5.296 -4.629 -5.748 1.00 0.00 C ATOM 1126 CG1 VAL A 75 4.443 -3.671 -4.977 1.00 0.00 C ATOM 1127 CG2 VAL A 75 6.284 -3.840 -6.559 1.00 0.00 C ATOM 0 H VAL A 75 7.066 -6.286 -6.491 1.00 0.00 H new ATOM 0 HA VAL A 75 6.470 -5.034 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 75 4.671 -5.222 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.956 -2.981 -5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.685 -4.224 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.065 -3.109 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.750 -3.148 -7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.938 -3.279 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.882 -4.520 -7.165 1.00 0.00 H new ATOM 1137 N SER A 76 4.962 -6.666 -2.872 1.00 0.00 N ATOM 1138 CA SER A 76 4.290 -7.696 -2.130 1.00 0.00 C ATOM 1139 C SER A 76 3.994 -7.147 -0.710 1.00 0.00 C ATOM 1140 O SER A 76 4.658 -6.195 -0.273 1.00 0.00 O ATOM 1141 CB SER A 76 5.272 -8.899 -2.077 1.00 0.00 C ATOM 1142 OG SER A 76 4.729 -10.054 -1.451 1.00 0.00 O ATOM 0 H SER A 76 5.387 -5.948 -2.285 1.00 0.00 H new ATOM 0 HA SER A 76 3.346 -8.004 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.574 -9.155 -3.093 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.173 -8.597 -1.543 1.00 0.00 H new ATOM 0 HG SER A 76 4.823 -9.974 -0.479 1.00 0.00 H new ATOM 1148 N PRO A 77 3.014 -7.729 0.039 1.00 0.00 N ATOM 1149 CA PRO A 77 2.646 -7.250 1.379 1.00 0.00 C ATOM 1150 C PRO A 77 3.543 -7.832 2.471 1.00 0.00 C ATOM 1151 O PRO A 77 3.270 -7.691 3.668 1.00 0.00 O ATOM 1152 CB PRO A 77 1.233 -7.786 1.542 1.00 0.00 C ATOM 1153 CG PRO A 77 1.230 -9.074 0.791 1.00 0.00 C ATOM 1154 CD PRO A 77 2.172 -8.888 -0.367 1.00 0.00 C ATOM 0 HA PRO A 77 2.740 -6.168 1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.986 -7.939 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.496 -7.091 1.139 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.554 -9.897 1.428 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.227 -9.318 0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.775 -9.779 -0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.633 -8.685 -1.292 1.00 0.00 H new ATOM 1162 N SER A 78 4.605 -8.452 2.051 1.00 0.00 N ATOM 1163 CA SER A 78 5.500 -9.136 2.929 1.00 0.00 C ATOM 1164 C SER A 78 6.581 -8.211 3.481 1.00 0.00 C ATOM 1165 O SER A 78 7.068 -7.322 2.805 1.00 0.00 O ATOM 1166 CB SER A 78 6.156 -10.284 2.169 1.00 0.00 C ATOM 1167 OG SER A 78 7.025 -11.048 2.990 1.00 0.00 O ATOM 0 H SER A 78 4.877 -8.496 1.069 1.00 0.00 H new ATOM 0 HA SER A 78 4.924 -9.510 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.383 -10.934 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.717 -9.884 1.324 1.00 0.00 H new ATOM 0 HG SER A 78 7.421 -11.772 2.462 1.00 0.00 H new ATOM 1173 N LEU A 79 6.889 -8.428 4.718 1.00 0.00 N ATOM 1174 CA LEU A 79 7.999 -7.824 5.423 1.00 0.00 C ATOM 1175 C LEU A 79 8.405 -8.789 6.494 1.00 0.00 C ATOM 1176 O LEU A 79 7.968 -8.700 7.653 1.00 0.00 O ATOM 1177 CB LEU A 79 7.725 -6.395 5.995 1.00 0.00 C ATOM 1178 CG LEU A 79 6.418 -6.182 6.783 1.00 0.00 C ATOM 1179 CD1 LEU A 79 6.506 -4.908 7.608 1.00 0.00 C ATOM 1180 CD2 LEU A 79 5.281 -6.024 5.797 1.00 0.00 C ATOM 0 H LEU A 79 6.350 -9.064 5.306 1.00 0.00 H new ATOM 0 HA LEU A 79 8.805 -7.647 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.557 -6.128 6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.734 -5.692 5.162 1.00 0.00 H new ATOM 0 HG LEU A 79 6.254 -7.035 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.577 -4.767 8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.337 -4.985 8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.667 -4.057 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.348 -5.872 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.472 -5.163 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.203 -6.922 5.185 1.00 0.00 H new ATOM 1192 N GLU A 80 9.168 -9.765 6.095 1.00 0.00 N ATOM 1193 CA GLU A 80 9.438 -10.868 6.949 1.00 0.00 C ATOM 1194 C GLU A 80 10.866 -11.361 6.852 1.00 0.00 C ATOM 1195 O GLU A 80 11.611 -11.319 7.836 1.00 0.00 O ATOM 1196 CB GLU A 80 8.485 -11.968 6.578 1.00 0.00 C ATOM 1197 CG GLU A 80 8.581 -13.148 7.455 1.00 0.00 C ATOM 1198 CD GLU A 80 7.507 -14.163 7.167 1.00 0.00 C ATOM 1199 OE1 GLU A 80 6.353 -13.956 7.594 1.00 0.00 O ATOM 1200 OE2 GLU A 80 7.783 -15.164 6.472 1.00 0.00 O ATOM 0 H GLU A 80 9.613 -9.813 5.178 1.00 0.00 H new ATOM 0 HA GLU A 80 9.303 -10.549 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.466 -11.582 6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.677 -12.273 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.559 -13.612 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.509 -12.831 8.496 1.00 0.00 H new ATOM 1207 N GLY A 81 11.255 -11.803 5.669 1.00 0.00 N ATOM 1208 CA GLY A 81 12.580 -12.360 5.470 1.00 0.00 C ATOM 1209 C GLY A 81 13.553 -11.264 5.214 1.00 0.00 C ATOM 1210 O GLY A 81 14.250 -11.227 4.200 1.00 0.00 O ATOM 0 H GLY A 81 10.672 -11.787 4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 81 12.882 -12.929 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.570 -13.054 4.630 1.00 0.00 H new ATOM 1214 N LEU A 82 13.570 -10.369 6.133 1.00 0.00 N ATOM 1215 CA LEU A 82 14.268 -9.171 6.056 1.00 0.00 C ATOM 1216 C LEU A 82 14.893 -8.892 7.395 1.00 0.00 C ATOM 1217 O LEU A 82 14.247 -9.067 8.440 1.00 0.00 O ATOM 1218 CB LEU A 82 13.232 -8.113 5.765 1.00 0.00 C ATOM 1219 CG LEU A 82 12.475 -8.273 4.460 1.00 0.00 C ATOM 1220 CD1 LEU A 82 11.274 -7.414 4.483 1.00 0.00 C ATOM 1221 CD2 LEU A 82 13.336 -7.854 3.318 1.00 0.00 C ATOM 0 H LEU A 82 13.059 -10.476 7.009 1.00 0.00 H new ATOM 0 HA LEU A 82 15.049 -9.195 5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.511 -8.102 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 82 13.724 -7.140 5.761 1.00 0.00 H new ATOM 0 HG LEU A 82 12.191 -9.319 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.728 -7.527 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.633 -7.707 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.573 -6.373 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.785 -7.972 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.621 -6.809 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.232 -8.474 3.291 1.00 0.00 H new ATOM 1233 N THR A 83 16.113 -8.469 7.381 1.00 0.00 N ATOM 1234 CA THR A 83 16.783 -8.118 8.593 1.00 0.00 C ATOM 1235 C THR A 83 16.434 -6.655 8.911 1.00 0.00 C ATOM 1236 O THR A 83 15.607 -6.044 8.188 1.00 0.00 O ATOM 1237 CB THR A 83 18.327 -8.347 8.499 1.00 0.00 C ATOM 1238 OG1 THR A 83 18.935 -8.158 9.793 1.00 0.00 O ATOM 1239 CG2 THR A 83 18.971 -7.397 7.493 1.00 0.00 C ATOM 0 H THR A 83 16.673 -8.357 6.536 1.00 0.00 H new ATOM 0 HA THR A 83 16.446 -8.764 9.404 1.00 0.00 H new ATOM 0 HB THR A 83 18.490 -9.370 8.160 1.00 0.00 H new ATOM 0 HG1 THR A 83 19.902 -8.305 9.725 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.044 -7.583 7.452 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.537 -7.562 6.507 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.793 -6.366 7.800 1.00 0.00 H new ATOM 1247 N GLU A 84 17.040 -6.083 9.946 1.00 0.00 N ATOM 1248 CA GLU A 84 16.665 -4.753 10.383 1.00 0.00 C ATOM 1249 C GLU A 84 16.875 -3.726 9.266 1.00 0.00 C ATOM 1250 O GLU A 84 16.018 -2.895 9.039 1.00 0.00 O ATOM 1251 CB GLU A 84 17.408 -4.324 11.637 1.00 0.00 C ATOM 1252 CG GLU A 84 16.794 -3.092 12.274 1.00 0.00 C ATOM 1253 CD GLU A 84 17.625 -2.517 13.386 1.00 0.00 C ATOM 1254 OE1 GLU A 84 17.648 -3.104 14.495 1.00 0.00 O ATOM 1255 OE2 GLU A 84 18.257 -1.465 13.181 1.00 0.00 O ATOM 0 H GLU A 84 17.785 -6.518 10.490 1.00 0.00 H new ATOM 0 HA GLU A 84 15.604 -4.795 10.629 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.405 -5.143 12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.450 -4.121 11.389 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.649 -2.330 11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.808 -3.346 12.662 1.00 0.00 H new ATOM 1262 N LYS A 85 18.000 -3.836 8.541 1.00 0.00 N ATOM 1263 CA LYS A 85 18.318 -2.925 7.424 1.00 0.00 C ATOM 1264 C LYS A 85 17.170 -2.873 6.426 1.00 0.00 C ATOM 1265 O LYS A 85 16.653 -1.800 6.077 1.00 0.00 O ATOM 1266 CB LYS A 85 19.517 -3.467 6.647 1.00 0.00 C ATOM 1267 CG LYS A 85 19.806 -2.669 5.380 1.00 0.00 C ATOM 1268 CD LYS A 85 20.647 -3.440 4.392 1.00 0.00 C ATOM 1269 CE LYS A 85 21.997 -3.819 4.943 1.00 0.00 C ATOM 1270 NZ LYS A 85 22.765 -4.592 3.953 1.00 0.00 N ATOM 0 H LYS A 85 18.709 -4.550 8.708 1.00 0.00 H new ATOM 0 HA LYS A 85 18.512 -1.941 7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.398 -3.453 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.333 -4.508 6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.864 -2.387 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.319 -1.745 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 85 20.114 -4.344 4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 85 20.783 -2.840 3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.549 -2.920 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.872 -4.406 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.692 -4.843 4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.245 -5.460 3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 22.901 -4.020 3.095 1.00 0.00 H new ATOM 1284 N GLU A 86 16.788 -4.042 6.000 1.00 0.00 N ATOM 1285 CA GLU A 86 15.802 -4.259 4.998 1.00 0.00 C ATOM 1286 C GLU A 86 14.490 -3.644 5.393 1.00 0.00 C ATOM 1287 O GLU A 86 13.873 -2.905 4.628 1.00 0.00 O ATOM 1288 CB GLU A 86 15.640 -5.742 4.868 1.00 0.00 C ATOM 1289 CG GLU A 86 16.866 -6.469 4.365 1.00 0.00 C ATOM 1290 CD GLU A 86 17.219 -6.130 2.944 1.00 0.00 C ATOM 1291 OE1 GLU A 86 17.936 -5.152 2.713 1.00 0.00 O ATOM 1292 OE2 GLU A 86 16.794 -6.870 2.025 1.00 0.00 O ATOM 0 H GLU A 86 17.180 -4.910 6.365 1.00 0.00 H new ATOM 0 HA GLU A 86 16.110 -3.802 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.365 -6.151 5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.810 -5.945 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.712 -6.229 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.700 -7.543 4.444 1.00 0.00 H new ATOM 1299 N ILE A 87 14.087 -3.920 6.592 1.00 0.00 N ATOM 1300 CA ILE A 87 12.846 -3.433 7.081 1.00 0.00 C ATOM 1301 C ILE A 87 12.908 -1.929 7.362 1.00 0.00 C ATOM 1302 O ILE A 87 11.979 -1.210 7.017 1.00 0.00 O ATOM 1303 CB ILE A 87 12.404 -4.200 8.318 1.00 0.00 C ATOM 1304 CG1 ILE A 87 12.221 -5.677 7.989 1.00 0.00 C ATOM 1305 CG2 ILE A 87 11.136 -3.617 8.901 1.00 0.00 C ATOM 1306 CD1 ILE A 87 11.721 -6.488 9.154 1.00 0.00 C ATOM 0 H ILE A 87 14.612 -4.489 7.256 1.00 0.00 H new ATOM 0 HA ILE A 87 12.101 -3.594 6.302 1.00 0.00 H new ATOM 0 HB ILE A 87 13.186 -4.107 9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.520 -5.773 7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.172 -6.088 7.651 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.846 -4.187 9.784 1.00 0.00 H new ATOM 0 HG22 ILE A 87 11.308 -2.578 9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.339 -3.666 8.159 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.613 -7.530 8.852 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.433 -6.421 9.977 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.755 -6.102 9.478 1.00 0.00 H new ATOM 1318 N ASN A 88 14.028 -1.453 7.951 1.00 0.00 N ATOM 1319 CA ASN A 88 14.219 0.000 8.253 1.00 0.00 C ATOM 1320 C ASN A 88 13.985 0.836 7.042 1.00 0.00 C ATOM 1321 O ASN A 88 13.459 1.952 7.125 1.00 0.00 O ATOM 1322 CB ASN A 88 15.621 0.334 8.769 1.00 0.00 C ATOM 1323 CG ASN A 88 15.917 -0.122 10.187 1.00 0.00 C ATOM 1324 OD1 ASN A 88 15.017 -0.244 11.024 1.00 0.00 O ATOM 1325 ND2 ASN A 88 17.182 -0.349 10.477 1.00 0.00 N ATOM 0 H ASN A 88 14.813 -2.042 8.228 1.00 0.00 H new ATOM 0 HA ASN A 88 13.491 0.221 9.034 1.00 0.00 H new ATOM 0 HB2 ASN A 88 16.353 -0.117 8.100 1.00 0.00 H new ATOM 0 HB3 ASN A 88 15.762 1.413 8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 88 17.446 -0.636 11.420 1.00 0.00 H new ATOM 0 HD22 ASN A 88 17.898 -0.238 9.759 1.00 0.00 H new ATOM 1332 N THR A 89 14.368 0.299 5.931 1.00 0.00 N ATOM 1333 CA THR A 89 14.221 0.940 4.679 1.00 0.00 C ATOM 1334 C THR A 89 12.721 1.214 4.368 1.00 0.00 C ATOM 1335 O THR A 89 12.351 2.320 3.959 1.00 0.00 O ATOM 1336 CB THR A 89 14.850 0.063 3.599 1.00 0.00 C ATOM 1337 OG1 THR A 89 16.238 -0.178 3.933 1.00 0.00 O ATOM 1338 CG2 THR A 89 14.769 0.745 2.280 1.00 0.00 C ATOM 0 H THR A 89 14.803 -0.622 5.874 1.00 0.00 H new ATOM 0 HA THR A 89 14.728 1.904 4.704 1.00 0.00 H new ATOM 0 HB THR A 89 14.312 -0.884 3.543 1.00 0.00 H new ATOM 0 HG1 THR A 89 16.291 -0.842 4.652 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.220 0.113 1.515 1.00 0.00 H new ATOM 0 HG22 THR A 89 13.724 0.929 2.029 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.303 1.694 2.328 1.00 0.00 H new ATOM 1346 N LEU A 90 11.882 0.222 4.621 1.00 0.00 N ATOM 1347 CA LEU A 90 10.447 0.322 4.384 1.00 0.00 C ATOM 1348 C LEU A 90 9.838 1.170 5.461 1.00 0.00 C ATOM 1349 O LEU A 90 8.906 1.905 5.229 1.00 0.00 O ATOM 1350 CB LEU A 90 9.813 -1.071 4.349 1.00 0.00 C ATOM 1351 CG LEU A 90 8.612 -1.300 5.246 1.00 0.00 C ATOM 1352 CD1 LEU A 90 7.309 -0.940 4.588 1.00 0.00 C ATOM 1353 CD2 LEU A 90 8.606 -2.671 5.786 1.00 0.00 C ATOM 0 H LEU A 90 12.176 -0.679 4.998 1.00 0.00 H new ATOM 0 HA LEU A 90 10.262 0.788 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.515 -1.282 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.579 -1.799 4.615 1.00 0.00 H new ATOM 0 HG LEU A 90 8.712 -0.614 6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.488 -1.126 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.320 0.115 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.173 -1.547 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.734 -2.806 6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.568 -3.386 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.512 -2.837 6.369 1.00 0.00 H new ATOM 1365 N ASN A 91 10.376 1.026 6.656 1.00 0.00 N ATOM 1366 CA ASN A 91 9.953 1.794 7.811 1.00 0.00 C ATOM 1367 C ASN A 91 9.974 3.298 7.520 1.00 0.00 C ATOM 1368 O ASN A 91 9.114 4.051 8.003 1.00 0.00 O ATOM 1369 CB ASN A 91 10.834 1.511 9.015 1.00 0.00 C ATOM 1370 CG ASN A 91 10.816 0.078 9.549 1.00 0.00 C ATOM 1371 OD1 ASN A 91 11.792 -0.366 10.144 1.00 0.00 O ATOM 1372 ND2 ASN A 91 9.753 -0.651 9.349 1.00 0.00 N ATOM 0 H ASN A 91 11.127 0.365 6.855 1.00 0.00 H new ATOM 0 HA ASN A 91 8.931 1.487 8.034 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.861 1.765 8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 91 10.535 2.180 9.822 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.722 -1.612 9.690 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.953 -0.260 8.851 1.00 0.00 H new ATOM 1379 N ASP A 92 10.958 3.735 6.726 1.00 0.00 N ATOM 1380 CA ASP A 92 11.031 5.140 6.310 1.00 0.00 C ATOM 1381 C ASP A 92 9.798 5.470 5.502 1.00 0.00 C ATOM 1382 O ASP A 92 9.127 6.460 5.745 1.00 0.00 O ATOM 1383 CB ASP A 92 12.280 5.411 5.462 1.00 0.00 C ATOM 1384 CG ASP A 92 12.380 6.872 5.039 1.00 0.00 C ATOM 1385 OD1 ASP A 92 12.935 7.696 5.820 1.00 0.00 O ATOM 1386 OD2 ASP A 92 11.912 7.227 3.934 1.00 0.00 O ATOM 0 H ASP A 92 11.706 3.145 6.362 1.00 0.00 H new ATOM 0 HA ASP A 92 11.088 5.764 7.202 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.169 5.137 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.260 4.778 4.575 1.00 0.00 H new ATOM 1391 N TRP A 93 9.498 4.591 4.575 1.00 0.00 N ATOM 1392 CA TRP A 93 8.337 4.684 3.718 1.00 0.00 C ATOM 1393 C TRP A 93 7.025 4.659 4.508 1.00 0.00 C ATOM 1394 O TRP A 93 6.067 5.353 4.155 1.00 0.00 O ATOM 1395 CB TRP A 93 8.369 3.569 2.693 1.00 0.00 C ATOM 1396 CG TRP A 93 9.407 3.726 1.610 1.00 0.00 C ATOM 1397 CD1 TRP A 93 10.582 3.046 1.491 1.00 0.00 C ATOM 1398 CD2 TRP A 93 9.348 4.618 0.486 1.00 0.00 C ATOM 1399 NE1 TRP A 93 11.253 3.443 0.358 1.00 0.00 N ATOM 1400 CE2 TRP A 93 10.519 4.413 -0.273 1.00 0.00 C ATOM 1401 CE3 TRP A 93 8.418 5.565 0.046 1.00 0.00 C ATOM 1402 CZ2 TRP A 93 10.782 5.120 -1.443 1.00 0.00 C ATOM 1403 CZ3 TRP A 93 8.682 6.267 -1.113 1.00 0.00 C ATOM 1404 CH2 TRP A 93 9.854 6.041 -1.846 1.00 0.00 C ATOM 0 H TRP A 93 10.071 3.767 4.390 1.00 0.00 H new ATOM 0 HA TRP A 93 8.375 5.647 3.209 1.00 0.00 H new ATOM 0 HB2 TRP A 93 8.546 2.626 3.210 1.00 0.00 H new ATOM 0 HB3 TRP A 93 7.387 3.497 2.226 1.00 0.00 H new ATOM 0 HD1 TRP A 93 10.936 2.301 2.188 1.00 0.00 H new ATOM 0 HE1 TRP A 93 12.150 3.076 0.040 1.00 0.00 H new ATOM 0 HE3 TRP A 93 7.510 5.744 0.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 11.684 4.948 -2.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 7.972 7.003 -1.461 1.00 0.00 H new ATOM 0 HH2 TRP A 93 10.029 6.606 -2.749 1.00 0.00 H new ATOM 1415 N GLU A 94 6.983 3.871 5.570 1.00 0.00 N ATOM 1416 CA GLU A 94 5.814 3.827 6.435 1.00 0.00 C ATOM 1417 C GLU A 94 5.569 5.197 7.051 1.00 0.00 C ATOM 1418 O GLU A 94 4.457 5.696 7.074 1.00 0.00 O ATOM 1419 CB GLU A 94 5.977 2.794 7.542 1.00 0.00 C ATOM 1420 CG GLU A 94 6.103 1.369 7.060 1.00 0.00 C ATOM 1421 CD GLU A 94 6.202 0.408 8.207 1.00 0.00 C ATOM 1422 OE1 GLU A 94 5.147 -0.021 8.725 1.00 0.00 O ATOM 1423 OE2 GLU A 94 7.317 0.104 8.644 1.00 0.00 O ATOM 0 H GLU A 94 7.744 3.254 5.854 1.00 0.00 H new ATOM 0 HA GLU A 94 4.959 3.540 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.862 3.045 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.121 2.862 8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.240 1.114 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 94 6.986 1.274 6.427 1.00 0.00 H new ATOM 1430 N THR A 95 6.633 5.792 7.500 1.00 0.00 N ATOM 1431 CA THR A 95 6.634 7.119 8.099 1.00 0.00 C ATOM 1432 C THR A 95 6.086 8.152 7.098 1.00 0.00 C ATOM 1433 O THR A 95 5.434 9.135 7.468 1.00 0.00 O ATOM 1434 CB THR A 95 8.084 7.502 8.475 1.00 0.00 C ATOM 1435 OG1 THR A 95 8.638 6.466 9.320 1.00 0.00 O ATOM 1436 CG2 THR A 95 8.126 8.829 9.229 1.00 0.00 C ATOM 0 H THR A 95 7.559 5.366 7.465 1.00 0.00 H new ATOM 0 HA THR A 95 6.003 7.111 8.988 1.00 0.00 H new ATOM 0 HB THR A 95 8.664 7.606 7.558 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.894 5.697 8.769 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.158 9.072 9.480 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.710 9.617 8.602 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.540 8.746 10.144 1.00 0.00 H new ATOM 1444 N LYS A 96 6.330 7.891 5.840 1.00 0.00 N ATOM 1445 CA LYS A 96 5.927 8.765 4.780 1.00 0.00 C ATOM 1446 C LYS A 96 4.420 8.707 4.542 1.00 0.00 C ATOM 1447 O LYS A 96 3.804 9.732 4.252 1.00 0.00 O ATOM 1448 CB LYS A 96 6.742 8.465 3.532 1.00 0.00 C ATOM 1449 CG LYS A 96 8.242 8.628 3.779 1.00 0.00 C ATOM 1450 CD LYS A 96 8.621 10.078 4.042 1.00 0.00 C ATOM 1451 CE LYS A 96 10.096 10.227 4.393 1.00 0.00 C ATOM 1452 NZ LYS A 96 10.981 9.669 3.356 1.00 0.00 N ATOM 0 H LYS A 96 6.820 7.054 5.524 1.00 0.00 H new ATOM 0 HA LYS A 96 6.134 9.796 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.537 7.447 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.432 9.131 2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.538 8.015 4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.794 8.260 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.396 10.677 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.013 10.470 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.328 11.283 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.293 9.727 5.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.802 10.294 3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.306 8.725 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.460 9.593 2.459 1.00 0.00 H new ATOM 1466 N PHE A 97 3.800 7.526 4.693 1.00 0.00 N ATOM 1467 CA PHE A 97 2.347 7.489 4.570 1.00 0.00 C ATOM 1468 C PHE A 97 1.757 8.057 5.836 1.00 0.00 C ATOM 1469 O PHE A 97 0.807 8.816 5.805 1.00 0.00 O ATOM 1470 CB PHE A 97 1.748 6.072 4.264 1.00 0.00 C ATOM 1471 CG PHE A 97 1.769 5.039 5.387 1.00 0.00 C ATOM 1472 CD1 PHE A 97 0.865 5.119 6.444 1.00 0.00 C ATOM 1473 CD2 PHE A 97 2.655 3.993 5.374 1.00 0.00 C ATOM 1474 CE1 PHE A 97 0.865 4.179 7.451 1.00 0.00 C ATOM 1475 CE2 PHE A 97 2.648 3.044 6.384 1.00 0.00 C ATOM 1476 CZ PHE A 97 1.757 3.142 7.418 1.00 0.00 C ATOM 0 H PHE A 97 4.256 6.635 4.889 1.00 0.00 H new ATOM 0 HA PHE A 97 2.081 8.088 3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.713 6.206 3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.288 5.655 3.414 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.153 5.931 6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.367 3.907 4.567 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.161 4.261 8.266 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.349 2.223 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.758 2.403 8.206 1.00 0.00 H new ATOM 1486 N GLU A 98 2.407 7.725 6.935 1.00 0.00 N ATOM 1487 CA GLU A 98 2.045 8.123 8.282 1.00 0.00 C ATOM 1488 C GLU A 98 1.921 9.636 8.463 1.00 0.00 C ATOM 1489 O GLU A 98 1.242 10.098 9.383 1.00 0.00 O ATOM 1490 CB GLU A 98 3.064 7.520 9.259 1.00 0.00 C ATOM 1491 CG GLU A 98 2.738 6.116 9.760 1.00 0.00 C ATOM 1492 CD GLU A 98 1.491 6.085 10.637 1.00 0.00 C ATOM 1493 OE1 GLU A 98 1.548 6.609 11.768 1.00 0.00 O ATOM 1494 OE2 GLU A 98 0.466 5.509 10.238 1.00 0.00 O ATOM 0 H GLU A 98 3.243 7.141 6.911 1.00 0.00 H new ATOM 0 HA GLU A 98 1.047 7.736 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.039 7.497 8.772 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.153 8.183 10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.595 5.453 8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.586 5.729 10.325 1.00 0.00 H new ATOM 1501 N ALA A 99 2.533 10.402 7.592 1.00 0.00 N ATOM 1502 CA ALA A 99 2.485 11.834 7.717 1.00 0.00 C ATOM 1503 C ALA A 99 1.789 12.496 6.527 1.00 0.00 C ATOM 1504 O ALA A 99 1.633 13.721 6.497 1.00 0.00 O ATOM 1505 CB ALA A 99 3.892 12.387 7.884 1.00 0.00 C ATOM 0 H ALA A 99 3.067 10.058 6.794 1.00 0.00 H new ATOM 0 HA ALA A 99 1.895 12.068 8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.848 13.472 7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.345 11.963 8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.493 12.122 7.014 1.00 0.00 H new ATOM 1511 N LYS A 100 1.365 11.710 5.546 1.00 0.00 N ATOM 1512 CA LYS A 100 0.766 12.293 4.349 1.00 0.00 C ATOM 1513 C LYS A 100 -0.520 11.620 3.942 1.00 0.00 C ATOM 1514 O LYS A 100 -1.497 12.284 3.615 1.00 0.00 O ATOM 1515 CB LYS A 100 1.718 12.307 3.126 1.00 0.00 C ATOM 1516 CG LYS A 100 2.854 13.316 3.140 1.00 0.00 C ATOM 1517 CD LYS A 100 3.964 12.979 4.097 1.00 0.00 C ATOM 1518 CE LYS A 100 4.996 14.078 4.093 1.00 0.00 C ATOM 1519 NZ LYS A 100 5.551 14.318 2.743 1.00 0.00 N ATOM 0 H LYS A 100 1.421 10.692 5.551 1.00 0.00 H new ATOM 0 HA LYS A 100 0.555 13.321 4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.151 11.312 3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 100 1.118 12.486 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.267 13.395 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.452 14.296 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.563 12.849 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.426 12.033 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.547 14.998 4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.805 13.817 4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.437 14.857 2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.741 13.407 2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.866 14.859 2.177 1.00 0.00 H new ATOM 1533 N TYR A 101 -0.532 10.324 3.965 1.00 0.00 N ATOM 1534 CA TYR A 101 -1.646 9.595 3.442 1.00 0.00 C ATOM 1535 C TYR A 101 -2.508 9.082 4.573 1.00 0.00 C ATOM 1536 O TYR A 101 -1.996 8.514 5.538 1.00 0.00 O ATOM 1537 CB TYR A 101 -1.147 8.437 2.585 1.00 0.00 C ATOM 1538 CG TYR A 101 -0.131 8.840 1.530 1.00 0.00 C ATOM 1539 CD1 TYR A 101 -0.354 9.924 0.681 1.00 0.00 C ATOM 1540 CD2 TYR A 101 1.066 8.155 1.411 1.00 0.00 C ATOM 1541 CE1 TYR A 101 0.594 10.298 -0.256 1.00 0.00 C ATOM 1542 CE2 TYR A 101 2.012 8.524 0.488 1.00 0.00 C ATOM 1543 CZ TYR A 101 1.775 9.593 -0.344 1.00 0.00 C ATOM 1544 OH TYR A 101 2.731 9.956 -1.267 1.00 0.00 O ATOM 0 H TYR A 101 0.220 9.747 4.342 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.249 10.258 2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.701 7.684 3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -2.000 7.969 2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -1.278 10.478 0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.259 7.312 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.410 11.135 -0.913 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.940 7.976 0.415 1.00 0.00 H new ATOM 0 HH TYR A 101 3.620 9.730 -0.923 1.00 0.00 H new ATOM 1554 N PRO A 102 -3.813 9.288 4.498 1.00 0.00 N ATOM 1555 CA PRO A 102 -4.723 8.851 5.534 1.00 0.00 C ATOM 1556 C PRO A 102 -4.970 7.355 5.482 1.00 0.00 C ATOM 1557 O PRO A 102 -5.362 6.804 4.439 1.00 0.00 O ATOM 1558 CB PRO A 102 -6.007 9.601 5.209 1.00 0.00 C ATOM 1559 CG PRO A 102 -5.970 9.738 3.739 1.00 0.00 C ATOM 1560 CD PRO A 102 -4.527 9.968 3.394 1.00 0.00 C ATOM 0 HA PRO A 102 -4.332 9.049 6.532 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.887 9.049 5.538 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.038 10.573 5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.352 8.841 3.251 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.590 10.570 3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.270 9.543 2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.286 11.030 3.350 1.00 0.00 H new ATOM 1568 N VAL A 103 -4.719 6.705 6.577 1.00 0.00 N ATOM 1569 CA VAL A 103 -5.013 5.297 6.701 1.00 0.00 C ATOM 1570 C VAL A 103 -6.502 5.144 6.774 1.00 0.00 C ATOM 1571 O VAL A 103 -7.127 5.530 7.769 1.00 0.00 O ATOM 1572 CB VAL A 103 -4.371 4.653 7.962 1.00 0.00 C ATOM 1573 CG1 VAL A 103 -4.731 3.171 8.041 1.00 0.00 C ATOM 1574 CG2 VAL A 103 -2.862 4.814 7.955 1.00 0.00 C ATOM 0 H VAL A 103 -4.307 7.126 7.410 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.592 4.784 5.836 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.767 5.169 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.275 2.733 8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -5.814 3.062 8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -4.361 2.659 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.443 4.353 8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.449 4.330 7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.609 5.874 7.940 1.00 0.00 H new ATOM 1584 N VAL A 104 -7.072 4.638 5.734 1.00 0.00 N ATOM 1585 CA VAL A 104 -8.476 4.474 5.687 1.00 0.00 C ATOM 1586 C VAL A 104 -8.894 3.084 6.130 1.00 0.00 C ATOM 1587 O VAL A 104 -9.589 2.949 7.111 1.00 0.00 O ATOM 1588 CB VAL A 104 -9.115 4.896 4.318 1.00 0.00 C ATOM 1589 CG1 VAL A 104 -8.989 6.403 4.125 1.00 0.00 C ATOM 1590 CG2 VAL A 104 -8.465 4.184 3.144 1.00 0.00 C ATOM 0 H VAL A 104 -6.576 4.329 4.898 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.886 5.177 6.412 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.166 4.609 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.435 6.686 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.506 6.918 4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.936 6.684 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.938 4.506 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.403 4.428 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.587 3.107 3.259 1.00 0.00 H new ATOM 1600 N GLY A 105 -8.417 2.060 5.467 1.00 0.00 N ATOM 1601 CA GLY A 105 -8.843 0.727 5.822 1.00 0.00 C ATOM 1602 C GLY A 105 -7.720 -0.272 5.765 1.00 0.00 C ATOM 1603 O GLY A 105 -6.564 0.076 6.013 1.00 0.00 O ATOM 0 H GLY A 105 -7.750 2.118 4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -9.263 0.739 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.639 0.412 5.148 1.00 0.00 H new ATOM 1607 N ARG A 106 -8.035 -1.494 5.411 1.00 0.00 N ATOM 1608 CA ARG A 106 -7.040 -2.559 5.398 1.00 0.00 C ATOM 1609 C ARG A 106 -7.034 -3.290 4.122 1.00 0.00 C ATOM 1610 O ARG A 106 -8.010 -3.261 3.371 1.00 0.00 O ATOM 1611 CB ARG A 106 -7.317 -3.616 6.448 1.00 0.00 C ATOM 1612 CG ARG A 106 -8.690 -4.235 6.375 1.00 0.00 C ATOM 1613 CD ARG A 106 -8.732 -5.459 7.236 1.00 0.00 C ATOM 1614 NE ARG A 106 -8.340 -5.188 8.619 1.00 0.00 N ATOM 1615 CZ ARG A 106 -7.953 -6.115 9.510 1.00 0.00 C ATOM 1616 NH1 ARG A 106 -7.932 -7.404 9.185 1.00 0.00 N ATOM 1617 NH2 ARG A 106 -7.585 -5.744 10.720 1.00 0.00 N ATOM 0 H ARG A 106 -8.971 -1.784 5.127 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.094 -2.049 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.572 -4.406 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.186 -3.171 7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.442 -3.518 6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.929 -4.494 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.740 -5.874 7.223 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.070 -6.217 6.816 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.362 -4.217 8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.212 -7.699 8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.636 -8.098 9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.595 -4.757 10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.290 -6.444 11.401 1.00 0.00 H new ATOM 1631 N VAL A 107 -5.956 -3.964 3.886 1.00 0.00 N ATOM 1632 CA VAL A 107 -5.894 -4.889 2.840 1.00 0.00 C ATOM 1633 C VAL A 107 -5.707 -6.251 3.469 1.00 0.00 C ATOM 1634 O VAL A 107 -4.985 -6.397 4.468 1.00 0.00 O ATOM 1635 CB VAL A 107 -4.801 -4.617 1.789 1.00 0.00 C ATOM 1636 CG1 VAL A 107 -3.418 -4.821 2.341 1.00 0.00 C ATOM 1637 CG2 VAL A 107 -5.044 -5.492 0.604 1.00 0.00 C ATOM 0 H VAL A 107 -5.096 -3.876 4.427 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.822 -4.815 2.273 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.857 -3.570 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.682 -4.617 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.257 -4.143 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.310 -5.851 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.276 -5.308 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.009 -6.537 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.024 -5.270 0.183 1.00 0.00 H new ATOM 1647 N VAL A 108 -6.384 -7.202 2.956 1.00 0.00 N ATOM 1648 CA VAL A 108 -6.386 -8.514 3.503 1.00 0.00 C ATOM 1649 C VAL A 108 -6.104 -9.521 2.439 1.00 0.00 C ATOM 1650 O VAL A 108 -6.469 -9.320 1.278 1.00 0.00 O ATOM 1651 CB VAL A 108 -7.757 -8.807 4.145 1.00 0.00 C ATOM 1652 CG1 VAL A 108 -7.984 -7.830 5.199 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -8.851 -8.610 3.173 1.00 0.00 C ATOM 0 H VAL A 108 -6.967 -7.096 2.126 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.607 -8.579 4.263 1.00 0.00 H new ATOM 0 HB VAL A 108 -7.749 -9.835 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.950 -8.018 5.668 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -7.195 -7.912 5.947 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.977 -6.827 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.806 -8.823 3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.844 -7.578 2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -8.711 -9.283 2.327 1.00 0.00 H new ATOM 1663 N SER A 109 -5.405 -10.547 2.785 1.00 0.00 N ATOM 1664 CA SER A 109 -5.208 -11.603 1.875 1.00 0.00 C ATOM 1665 C SER A 109 -5.096 -12.944 2.613 1.00 0.00 C ATOM 1666 O SER A 109 -6.135 -13.604 2.798 1.00 0.00 O ATOM 1667 CB SER A 109 -4.015 -11.282 0.964 1.00 0.00 C ATOM 1668 OG SER A 109 -2.830 -11.006 1.711 1.00 0.00 O ATOM 1669 OXT SER A 109 -3.989 -13.300 3.080 1.00 0.00 O ATOM 0 H SER A 109 -4.963 -10.670 3.696 1.00 0.00 H new ATOM 0 HA SER A 109 -6.075 -11.707 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.834 -12.123 0.294 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.257 -10.423 0.338 1.00 0.00 H new ATOM 0 HG SER A 109 -2.743 -11.657 2.438 1.00 0.00 H new