USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 836 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 12 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 103 SER OG : rot 170:sc= 0 USER MOD Set 1.3: A 107 THR OG1 : rot 180:sc= -0.0523 USER MOD Set 2.1: A 96 THR OG1 : rot 180:sc= 0.144 USER MOD Set 2.2: A 97 ASN : amide:sc= 0.234 X(o=0.38,f=0.88) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 165:sc= 0.462 (180deg=-1.55!) USER MOD Set 3.2: A 68 SER OG : rot -28:sc= 1.93 USER MOD Set 4.1: A 28 LYS NZ :NH3+ -159:sc= -0.584 (180deg=-1.53!) USER MOD Set 4.2: A 29 GLN : amide:sc= -3.56 K(o=-4.1,f=-9.8!) USER MOD Set 5.1: A 23 TYR OH : rot 140:sc= -0.639 USER MOD Set 5.2: A 27 SER OG : rot 180:sc= -0.938 USER MOD Set 5.3: A 112 HIS :FLIP no HE2:sc= -16.4! C(o=-21!,f=-18!) USER MOD Single : A 18 TYR OH : rot 30:sc= -0.0183 USER MOD Single : A 20 THR OG1 : rot -58:sc= -1.91 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.858 X(o=-0.86,f=-0.51) USER MOD Single : A 31 LYS NZ :NH3+ -143:sc= -1.93! (180deg=-4.61!) USER MOD Single : A 34 GLN : amide:sc= -4.43! C(o=-4.4!,f=-5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.56) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 159:sc= -3.86! (180deg=-4.68!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.4!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= -0.0135 (180deg=-0.166) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -162:sc= -2.44 (180deg=-2.72) USER MOD Single : A 73 THR OG1 : rot 99:sc= -1.69 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0993) USER MOD Single : A 79 SER OG : rot -96:sc= -0.998! USER MOD Single : A 82 THR OG1 : rot -68:sc= -2.37! USER MOD Single : A 83 SER OG : rot -53:sc= 1.13 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc=-0.00734 K(o=-0.0073,f=-1.8) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 130:sc= -0.0046 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 165:sc= 0 (180deg=-0.248) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.940 2.999 14.937 1.00 0.00 N ATOM 194 CA TYR A 12 -1.956 3.993 15.364 1.00 0.00 C ATOM 195 C TYR A 12 -1.440 4.792 14.172 1.00 0.00 C ATOM 196 O TYR A 12 -0.372 4.500 13.635 1.00 0.00 O ATOM 197 CB TYR A 12 -0.788 3.287 16.069 1.00 0.00 C ATOM 198 CG TYR A 12 -0.861 1.783 15.941 1.00 0.00 C ATOM 199 CD1 TYR A 12 -1.799 1.064 16.664 1.00 0.00 C ATOM 200 CD2 TYR A 12 -0.031 1.090 15.071 1.00 0.00 C ATOM 201 CE1 TYR A 12 -1.912 -0.299 16.532 1.00 0.00 C ATOM 202 CE2 TYR A 12 -0.137 -0.280 14.928 1.00 0.00 C ATOM 203 CZ TYR A 12 -1.081 -0.971 15.660 1.00 0.00 C ATOM 204 OH TYR A 12 -1.191 -2.336 15.522 1.00 0.00 O ATOM 0 HA TYR A 12 -2.435 4.686 16.056 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.153 3.639 15.647 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.786 3.559 17.124 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.455 1.586 17.345 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.708 1.629 14.498 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.647 -0.841 17.108 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.515 -0.807 14.247 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.533 -2.653 14.868 1.00 0.00 H new ATOM 214 N GLY A 13 -2.204 5.798 13.760 1.00 0.00 N ATOM 215 CA GLY A 13 -1.804 6.615 12.633 1.00 0.00 C ATOM 216 C GLY A 13 -2.870 6.675 11.561 1.00 0.00 C ATOM 217 O GLY A 13 -3.199 5.662 10.944 1.00 0.00 O ATOM 0 H GLY A 13 -3.092 6.061 14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.583 7.625 12.979 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.884 6.216 12.206 1.00 0.00 H new ATOM 221 N ILE A 14 -3.411 7.869 11.340 1.00 0.00 N ATOM 222 CA ILE A 14 -4.451 8.077 10.333 1.00 0.00 C ATOM 223 C ILE A 14 -4.139 7.321 9.043 1.00 0.00 C ATOM 224 O ILE A 14 -5.044 6.894 8.326 1.00 0.00 O ATOM 225 CB ILE A 14 -4.631 9.578 10.018 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.859 9.799 9.123 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.373 10.148 9.377 1.00 0.00 C ATOM 228 CD1 ILE A 14 -5.631 9.477 7.658 1.00 0.00 C ATOM 0 H ILE A 14 -3.146 8.713 11.847 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.379 7.688 10.751 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.799 10.109 10.955 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.680 9.185 9.494 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.174 10.839 9.209 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.521 11.207 9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.531 10.030 10.060 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.165 9.616 8.449 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.548 9.661 7.098 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.834 10.109 7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.347 8.430 7.556 1.00 0.00 H new ATOM 240 N GLU A 15 -2.849 7.153 8.757 1.00 0.00 N ATOM 241 CA GLU A 15 -2.417 6.443 7.558 1.00 0.00 C ATOM 242 C GLU A 15 -3.055 5.060 7.484 1.00 0.00 C ATOM 243 O GLU A 15 -3.489 4.625 6.421 1.00 0.00 O ATOM 244 CB GLU A 15 -0.893 6.317 7.537 1.00 0.00 C ATOM 245 CG GLU A 15 -0.313 6.176 6.140 1.00 0.00 C ATOM 246 CD GLU A 15 1.141 5.745 6.152 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.495 4.874 6.974 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.926 6.281 5.341 1.00 0.00 O ATOM 0 H GLU A 15 -2.087 7.499 9.340 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.739 7.018 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.458 7.195 8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.600 5.452 8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.899 5.448 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.401 7.128 5.616 1.00 0.00 H new ATOM 255 N GLY A 16 -3.115 4.374 8.621 1.00 0.00 N ATOM 256 CA GLY A 16 -3.709 3.048 8.653 1.00 0.00 C ATOM 257 C GLY A 16 -5.107 3.026 8.069 1.00 0.00 C ATOM 258 O GLY A 16 -5.500 2.058 7.419 1.00 0.00 O ATOM 0 H GLY A 16 -2.765 4.710 9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.076 2.356 8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.743 2.693 9.683 1.00 0.00 H new ATOM 262 N ARG A 17 -5.859 4.098 8.299 1.00 0.00 N ATOM 263 CA ARG A 17 -7.223 4.200 7.792 1.00 0.00 C ATOM 264 C ARG A 17 -7.250 4.131 6.269 1.00 0.00 C ATOM 265 O ARG A 17 -8.264 3.761 5.681 1.00 0.00 O ATOM 266 CB ARG A 17 -7.873 5.500 8.269 1.00 0.00 C ATOM 267 CG ARG A 17 -8.161 5.524 9.761 1.00 0.00 C ATOM 268 CD ARG A 17 -9.406 6.339 10.074 1.00 0.00 C ATOM 269 NE ARG A 17 -10.169 5.769 11.183 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.434 6.083 11.452 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.082 6.962 10.696 1.00 0.00 N ATOM 272 NH2 ARG A 17 -12.054 5.519 12.479 1.00 0.00 N ATOM 0 H ARG A 17 -5.547 4.909 8.833 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.790 3.355 8.183 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.219 6.336 8.020 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.805 5.651 7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.291 4.505 10.124 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.306 5.945 10.291 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.118 7.361 10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.038 6.390 9.188 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.704 5.090 11.786 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.610 7.400 9.905 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.051 7.199 10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.562 4.844 13.064 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.024 5.760 12.684 1.00 0.00 H new ATOM 286 N TYR A 18 -6.135 4.477 5.630 1.00 0.00 N ATOM 287 CA TYR A 18 -6.058 4.428 4.174 1.00 0.00 C ATOM 288 C TYR A 18 -6.334 3.016 3.689 1.00 0.00 C ATOM 289 O TYR A 18 -7.240 2.781 2.890 1.00 0.00 O ATOM 290 CB TYR A 18 -4.677 4.869 3.684 1.00 0.00 C ATOM 291 CG TYR A 18 -4.527 6.359 3.496 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.124 7.259 4.369 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.776 6.865 2.443 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.979 8.622 4.196 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.626 8.225 2.263 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.229 9.101 3.142 1.00 0.00 C ATOM 297 OH TYR A 18 -4.081 10.457 2.966 1.00 0.00 O ATOM 0 H TYR A 18 -5.282 4.791 6.092 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.807 5.110 3.772 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.926 4.528 4.397 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.466 4.373 2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.711 6.888 5.196 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.301 6.183 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.451 9.309 4.883 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.039 8.602 1.438 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.121 10.906 3.836 1.00 0.00 H new ATOM 307 N ALA A 19 -5.543 2.079 4.192 1.00 0.00 N ATOM 308 CA ALA A 19 -5.692 0.682 3.831 1.00 0.00 C ATOM 309 C ALA A 19 -7.038 0.149 4.295 1.00 0.00 C ATOM 310 O ALA A 19 -7.719 -0.564 3.561 1.00 0.00 O ATOM 311 CB ALA A 19 -4.557 -0.133 4.432 1.00 0.00 C ATOM 0 H ALA A 19 -4.789 2.265 4.854 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.650 0.594 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.676 -1.181 4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.604 0.236 4.053 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.577 -0.039 5.518 1.00 0.00 H new ATOM 317 N THR A 20 -7.421 0.505 5.516 1.00 0.00 N ATOM 318 CA THR A 20 -8.691 0.060 6.066 1.00 0.00 C ATOM 319 C THR A 20 -9.858 0.708 5.334 1.00 0.00 C ATOM 320 O THR A 20 -10.955 0.151 5.284 1.00 0.00 O ATOM 321 CB THR A 20 -8.769 0.350 7.565 1.00 0.00 C ATOM 322 OG1 THR A 20 -7.707 1.192 7.975 1.00 0.00 O ATOM 323 CG2 THR A 20 -8.712 -0.906 8.408 1.00 0.00 C ATOM 0 H THR A 20 -6.872 1.097 6.139 1.00 0.00 H new ATOM 0 HA THR A 20 -8.757 -1.019 5.924 1.00 0.00 H new ATOM 0 HB THR A 20 -9.732 0.838 7.719 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.851 0.768 7.757 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.771 -0.639 9.463 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.549 -1.555 8.150 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.775 -1.429 8.218 1.00 0.00 H new ATOM 331 N ALA A 21 -9.620 1.880 4.750 1.00 0.00 N ATOM 332 CA ALA A 21 -10.662 2.575 4.009 1.00 0.00 C ATOM 333 C ALA A 21 -10.613 2.208 2.532 1.00 0.00 C ATOM 334 O ALA A 21 -11.378 2.734 1.724 1.00 0.00 O ATOM 335 CB ALA A 21 -10.542 4.080 4.195 1.00 0.00 C ATOM 0 H ALA A 21 -8.722 2.363 4.776 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.627 2.259 4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.330 4.580 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.639 4.325 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.570 4.415 3.833 1.00 0.00 H new ATOM 341 N LEU A 22 -9.728 1.277 2.192 1.00 0.00 N ATOM 342 CA LEU A 22 -9.601 0.807 0.821 1.00 0.00 C ATOM 343 C LEU A 22 -9.932 -0.664 0.788 1.00 0.00 C ATOM 344 O LEU A 22 -10.607 -1.149 -0.120 1.00 0.00 O ATOM 345 CB LEU A 22 -8.193 1.051 0.277 1.00 0.00 C ATOM 346 CG LEU A 22 -7.964 0.553 -1.152 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.370 1.656 -2.017 1.00 0.00 C ATOM 348 CD2 LEU A 22 -7.063 -0.674 -1.153 1.00 0.00 C ATOM 0 H LEU A 22 -9.087 0.833 2.850 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.292 1.361 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.985 2.120 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.474 0.565 0.936 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.928 0.271 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.215 1.281 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.054 2.504 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.415 1.973 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.912 -1.014 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.101 -0.419 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.531 -1.469 -0.573 1.00 0.00 H new ATOM 360 N TYR A 23 -9.485 -1.363 1.817 1.00 0.00 N ATOM 361 CA TYR A 23 -9.766 -2.767 1.945 1.00 0.00 C ATOM 362 C TYR A 23 -11.229 -2.946 2.342 1.00 0.00 C ATOM 363 O TYR A 23 -11.798 -4.015 2.151 1.00 0.00 O ATOM 364 CB TYR A 23 -8.818 -3.406 2.966 1.00 0.00 C ATOM 365 CG TYR A 23 -9.508 -4.002 4.165 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.256 -5.158 4.042 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.416 -3.408 5.412 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.901 -5.710 5.124 1.00 0.00 C ATOM 369 CE2 TYR A 23 -10.052 -3.948 6.504 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.798 -5.101 6.360 1.00 0.00 C ATOM 371 OH TYR A 23 -11.438 -5.646 7.449 1.00 0.00 O ATOM 0 H TYR A 23 -8.925 -0.972 2.574 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.602 -3.271 0.992 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.240 -4.185 2.469 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.109 -2.652 3.307 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.335 -5.637 3.077 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.835 -2.505 5.529 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.483 -6.612 5.009 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.969 -3.473 7.470 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.855 -5.587 8.234 1.00 0.00 H new ATOM 381 N SER A 24 -11.848 -1.881 2.881 1.00 0.00 N ATOM 382 CA SER A 24 -13.253 -1.944 3.268 1.00 0.00 C ATOM 383 C SER A 24 -14.062 -2.551 2.131 1.00 0.00 C ATOM 384 O SER A 24 -14.953 -3.373 2.350 1.00 0.00 O ATOM 385 CB SER A 24 -13.781 -0.550 3.610 1.00 0.00 C ATOM 386 OG SER A 24 -15.198 -0.518 3.580 1.00 0.00 O ATOM 0 H SER A 24 -11.398 -0.982 3.054 1.00 0.00 H new ATOM 0 HA SER A 24 -13.350 -2.569 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.429 -0.257 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.383 0.177 2.902 1.00 0.00 H new ATOM 0 HG SER A 24 -15.510 0.384 3.804 1.00 0.00 H new ATOM 392 N ALA A 25 -13.702 -2.171 0.909 1.00 0.00 N ATOM 393 CA ALA A 25 -14.346 -2.705 -0.277 1.00 0.00 C ATOM 394 C ALA A 25 -13.792 -4.093 -0.549 1.00 0.00 C ATOM 395 O ALA A 25 -14.511 -4.999 -0.970 1.00 0.00 O ATOM 396 CB ALA A 25 -14.120 -1.790 -1.471 1.00 0.00 C ATOM 0 H ALA A 25 -12.965 -1.493 0.718 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.422 -2.768 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.611 -2.209 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.536 -0.805 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.051 -1.699 -1.662 1.00 0.00 H new ATOM 402 N ALA A 26 -12.499 -4.249 -0.277 1.00 0.00 N ATOM 403 CA ALA A 26 -11.824 -5.527 -0.460 1.00 0.00 C ATOM 404 C ALA A 26 -12.413 -6.590 0.463 1.00 0.00 C ATOM 405 O ALA A 26 -12.426 -7.773 0.130 1.00 0.00 O ATOM 406 CB ALA A 26 -10.335 -5.376 -0.199 1.00 0.00 C ATOM 0 H ALA A 26 -11.898 -3.503 0.072 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.974 -5.847 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.842 -6.338 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.916 -4.649 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.178 -5.033 0.824 1.00 0.00 H new ATOM 412 N SER A 27 -12.899 -6.158 1.625 1.00 0.00 N ATOM 413 CA SER A 27 -13.491 -7.071 2.596 1.00 0.00 C ATOM 414 C SER A 27 -14.762 -7.693 2.034 1.00 0.00 C ATOM 415 O SER A 27 -14.931 -8.912 2.054 1.00 0.00 O ATOM 416 CB SER A 27 -13.806 -6.330 3.897 1.00 0.00 C ATOM 417 OG SER A 27 -13.706 -7.194 5.017 1.00 0.00 O ATOM 0 H SER A 27 -12.894 -5.180 1.916 1.00 0.00 H new ATOM 0 HA SER A 27 -12.773 -7.864 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.118 -5.493 4.018 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.811 -5.912 3.846 1.00 0.00 H new ATOM 0 HG SER A 27 -13.911 -6.694 5.835 1.00 0.00 H new ATOM 423 N LYS A 28 -15.654 -6.845 1.525 1.00 0.00 N ATOM 424 CA LYS A 28 -16.910 -7.311 0.947 1.00 0.00 C ATOM 425 C LYS A 28 -16.643 -8.374 -0.111 1.00 0.00 C ATOM 426 O LYS A 28 -17.438 -9.295 -0.299 1.00 0.00 O ATOM 427 CB LYS A 28 -17.681 -6.142 0.332 1.00 0.00 C ATOM 428 CG LYS A 28 -19.074 -6.516 -0.145 1.00 0.00 C ATOM 429 CD LYS A 28 -20.028 -5.335 -0.062 1.00 0.00 C ATOM 430 CE LYS A 28 -19.981 -4.492 -1.326 1.00 0.00 C ATOM 431 NZ LYS A 28 -18.608 -3.992 -1.610 1.00 0.00 N ATOM 0 H LYS A 28 -15.529 -5.833 1.502 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.514 -7.749 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.761 -5.343 1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.112 -5.745 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.024 -6.873 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.458 -7.338 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -21.044 -5.697 0.098 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.770 -4.717 0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.333 -5.084 -2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.661 -3.646 -1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.663 -3.164 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.146 -3.722 -0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.055 -4.741 -2.074 1.00 0.00 H new ATOM 445 N GLN A 29 -15.509 -8.243 -0.792 1.00 0.00 N ATOM 446 CA GLN A 29 -15.122 -9.194 -1.823 1.00 0.00 C ATOM 447 C GLN A 29 -14.381 -10.372 -1.203 1.00 0.00 C ATOM 448 O GLN A 29 -14.649 -11.526 -1.535 1.00 0.00 O ATOM 449 CB GLN A 29 -14.241 -8.515 -2.873 1.00 0.00 C ATOM 450 CG GLN A 29 -15.024 -7.676 -3.872 1.00 0.00 C ATOM 451 CD GLN A 29 -15.892 -6.630 -3.201 1.00 0.00 C ATOM 452 OE1 GLN A 29 -16.896 -6.953 -2.566 1.00 0.00 O ATOM 453 NE2 GLN A 29 -15.507 -5.366 -3.340 1.00 0.00 N ATOM 0 H GLN A 29 -14.842 -7.485 -0.646 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.025 -9.562 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.513 -7.880 -2.369 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.679 -9.278 -3.412 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.328 -7.184 -4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.652 -8.330 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.668 -5.145 -3.875 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.051 -4.617 -2.911 1.00 0.00 H new ATOM 462 N ASN A 30 -13.440 -10.060 -0.302 1.00 0.00 N ATOM 463 CA ASN A 30 -12.627 -11.065 0.389 1.00 0.00 C ATOM 464 C ASN A 30 -11.238 -11.111 -0.219 1.00 0.00 C ATOM 465 O ASN A 30 -10.594 -12.160 -0.258 1.00 0.00 O ATOM 466 CB ASN A 30 -13.268 -12.458 0.339 1.00 0.00 C ATOM 467 CG ASN A 30 -12.688 -13.399 1.376 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.132 -13.426 2.525 1.00 0.00 O ATOM 469 ND2 ASN A 30 -11.689 -14.178 0.977 1.00 0.00 N ATOM 0 H ASN A 30 -13.222 -9.101 -0.032 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.561 -10.772 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.343 -12.366 0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.127 -12.885 -0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.259 -14.831 1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.352 -14.123 0.016 1.00 0.00 H new ATOM 476 N LYS A 31 -10.782 -9.960 -0.696 1.00 0.00 N ATOM 477 CA LYS A 31 -9.470 -9.854 -1.307 1.00 0.00 C ATOM 478 C LYS A 31 -8.403 -9.515 -0.272 1.00 0.00 C ATOM 479 O LYS A 31 -7.259 -9.245 -0.630 1.00 0.00 O ATOM 480 CB LYS A 31 -9.484 -8.800 -2.413 1.00 0.00 C ATOM 481 CG LYS A 31 -9.812 -9.365 -3.786 1.00 0.00 C ATOM 482 CD LYS A 31 -11.275 -9.149 -4.142 1.00 0.00 C ATOM 483 CE LYS A 31 -11.477 -9.086 -5.648 1.00 0.00 C ATOM 484 NZ LYS A 31 -11.564 -7.682 -6.139 1.00 0.00 N ATOM 0 H LYS A 31 -11.306 -9.085 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.224 -10.823 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.214 -8.031 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.509 -8.313 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.180 -8.890 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.585 -10.431 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.875 -9.958 -3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.629 -8.224 -3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.652 -9.594 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.389 -9.621 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.263 -7.626 -6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.856 -7.059 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.634 -7.380 -6.494 1.00 0.00 H new ATOM 498 N LEU A 32 -8.768 -9.536 1.014 1.00 0.00 N ATOM 499 CA LEU A 32 -7.822 -9.243 2.082 1.00 0.00 C ATOM 500 C LEU A 32 -6.500 -9.964 1.852 1.00 0.00 C ATOM 501 O LEU A 32 -5.443 -9.479 2.243 1.00 0.00 O ATOM 502 CB LEU A 32 -8.435 -9.641 3.420 1.00 0.00 C ATOM 503 CG LEU A 32 -9.388 -8.601 4.003 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.587 -7.512 4.700 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.271 -8.011 2.911 1.00 0.00 C ATOM 0 H LEU A 32 -9.712 -9.753 1.335 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.612 -8.173 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.972 -10.581 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.633 -9.824 4.135 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.039 -9.082 4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.268 -6.769 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.996 -7.953 5.503 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.923 -7.032 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.943 -7.272 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.646 -7.533 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.856 -8.805 2.448 1.00 0.00 H new ATOM 517 N GLU A 33 -6.565 -11.113 1.190 1.00 0.00 N ATOM 518 CA GLU A 33 -5.364 -11.881 0.885 1.00 0.00 C ATOM 519 C GLU A 33 -4.615 -11.236 -0.277 1.00 0.00 C ATOM 520 O GLU A 33 -3.385 -11.268 -0.335 1.00 0.00 O ATOM 521 CB GLU A 33 -5.726 -13.327 0.542 1.00 0.00 C ATOM 522 CG GLU A 33 -6.594 -13.460 -0.698 1.00 0.00 C ATOM 523 CD GLU A 33 -7.020 -14.892 -0.960 1.00 0.00 C ATOM 524 OE1 GLU A 33 -7.249 -15.632 0.019 1.00 0.00 O ATOM 525 OE2 GLU A 33 -7.125 -15.271 -2.146 1.00 0.00 O ATOM 0 H GLU A 33 -7.433 -11.532 0.855 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.719 -11.886 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.809 -13.897 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.247 -13.773 1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.480 -12.836 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.047 -13.084 -1.562 1.00 0.00 H new ATOM 532 N GLN A 34 -5.373 -10.640 -1.193 1.00 0.00 N ATOM 533 CA GLN A 34 -4.802 -9.966 -2.354 1.00 0.00 C ATOM 534 C GLN A 34 -4.438 -8.518 -2.026 1.00 0.00 C ATOM 535 O GLN A 34 -3.749 -7.854 -2.801 1.00 0.00 O ATOM 536 CB GLN A 34 -5.787 -10.007 -3.526 1.00 0.00 C ATOM 537 CG GLN A 34 -5.396 -10.995 -4.613 1.00 0.00 C ATOM 538 CD GLN A 34 -4.773 -10.317 -5.819 1.00 0.00 C ATOM 539 OE1 GLN A 34 -5.160 -10.574 -6.958 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.800 -9.448 -5.572 1.00 0.00 N ATOM 0 H GLN A 34 -6.392 -10.611 -1.152 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.889 -10.491 -2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.777 -10.266 -3.150 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.862 -9.011 -3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.692 -11.720 -4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.279 -11.551 -4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.511 -9.265 -4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.342 -8.963 -6.343 1.00 0.00 H new ATOM 549 N VAL A 35 -4.906 -8.031 -0.878 1.00 0.00 N ATOM 550 CA VAL A 35 -4.623 -6.662 -0.458 1.00 0.00 C ATOM 551 C VAL A 35 -3.653 -6.645 0.721 1.00 0.00 C ATOM 552 O VAL A 35 -2.863 -5.714 0.872 1.00 0.00 O ATOM 553 CB VAL A 35 -5.907 -5.901 -0.040 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.823 -4.445 -0.465 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.170 -6.557 -0.602 1.00 0.00 C ATOM 0 H VAL A 35 -5.481 -8.563 -0.225 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.180 -6.164 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.976 -5.947 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.732 -3.925 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.962 -3.976 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.714 -4.388 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.046 -5.991 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.120 -6.568 -1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.245 -7.579 -0.232 1.00 0.00 H new ATOM 565 N GLU A 36 -3.719 -7.682 1.550 1.00 0.00 N ATOM 566 CA GLU A 36 -2.845 -7.787 2.716 1.00 0.00 C ATOM 567 C GLU A 36 -1.433 -8.120 2.275 1.00 0.00 C ATOM 568 O GLU A 36 -0.472 -7.462 2.673 1.00 0.00 O ATOM 569 CB GLU A 36 -3.353 -8.853 3.688 1.00 0.00 C ATOM 570 CG GLU A 36 -2.496 -8.998 4.934 1.00 0.00 C ATOM 571 CD GLU A 36 -1.328 -9.944 4.732 1.00 0.00 C ATOM 572 OE1 GLU A 36 -1.568 -11.112 4.362 1.00 0.00 O ATOM 573 OE2 GLU A 36 -0.174 -9.515 4.942 1.00 0.00 O ATOM 0 H GLU A 36 -4.367 -8.461 1.437 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.846 -6.827 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.372 -8.606 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.395 -9.812 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.119 -8.018 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.114 -9.360 5.755 1.00 0.00 H new ATOM 580 N LYS A 37 -1.319 -9.125 1.417 1.00 0.00 N ATOM 581 CA LYS A 37 -0.026 -9.515 0.887 1.00 0.00 C ATOM 582 C LYS A 37 0.487 -8.395 0.001 1.00 0.00 C ATOM 583 O LYS A 37 1.692 -8.199 -0.151 1.00 0.00 O ATOM 584 CB LYS A 37 -0.134 -10.819 0.093 1.00 0.00 C ATOM 585 CG LYS A 37 1.191 -11.548 -0.062 1.00 0.00 C ATOM 586 CD LYS A 37 1.156 -12.525 -1.226 1.00 0.00 C ATOM 587 CE LYS A 37 0.436 -13.810 -0.853 1.00 0.00 C ATOM 588 NZ LYS A 37 1.381 -14.862 -0.390 1.00 0.00 N ATOM 0 H LYS A 37 -2.104 -9.681 1.077 1.00 0.00 H new ATOM 0 HA LYS A 37 0.669 -9.688 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.846 -11.479 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.537 -10.600 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.990 -10.823 -0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.422 -12.085 0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.657 -12.061 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.174 -12.755 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.291 -13.604 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.122 -14.177 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.850 -15.722 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.059 -15.078 -1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.895 -14.522 0.448 1.00 0.00 H new ATOM 602 N GLU A 38 -0.458 -7.647 -0.566 1.00 0.00 N ATOM 603 CA GLU A 38 -0.138 -6.525 -1.420 1.00 0.00 C ATOM 604 C GLU A 38 -0.015 -5.240 -0.597 1.00 0.00 C ATOM 605 O GLU A 38 0.025 -4.139 -1.144 1.00 0.00 O ATOM 606 CB GLU A 38 -1.216 -6.379 -2.490 1.00 0.00 C ATOM 607 CG GLU A 38 -1.125 -7.417 -3.599 1.00 0.00 C ATOM 608 CD GLU A 38 -1.021 -8.835 -3.073 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.059 -9.203 -2.565 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.017 -9.580 -3.173 1.00 0.00 O ATOM 0 H GLU A 38 -1.458 -7.807 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 38 0.822 -6.705 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.196 -6.451 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.146 -5.384 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.004 -7.336 -4.239 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.257 -7.201 -4.221 1.00 0.00 H new ATOM 617 N LEU A 39 0.065 -5.388 0.721 1.00 0.00 N ATOM 618 CA LEU A 39 0.214 -4.247 1.613 1.00 0.00 C ATOM 619 C LEU A 39 1.591 -4.286 2.259 1.00 0.00 C ATOM 620 O LEU A 39 2.201 -3.247 2.513 1.00 0.00 O ATOM 621 CB LEU A 39 -0.882 -4.246 2.682 1.00 0.00 C ATOM 622 CG LEU A 39 -1.758 -2.990 2.705 1.00 0.00 C ATOM 623 CD1 LEU A 39 -3.065 -3.235 1.967 1.00 0.00 C ATOM 624 CD2 LEU A 39 -2.026 -2.550 4.138 1.00 0.00 C ATOM 0 H LEU A 39 0.029 -6.290 1.195 1.00 0.00 H new ATOM 0 HA LEU A 39 0.115 -3.329 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.522 -5.115 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.416 -4.364 3.660 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.222 -2.189 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.673 -2.331 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.854 -3.499 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.606 -4.051 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.650 -1.656 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.540 -3.348 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.081 -2.330 4.634 1.00 0.00 H new ATOM 636 N LEU A 40 2.084 -5.497 2.498 1.00 0.00 N ATOM 637 CA LEU A 40 3.400 -5.679 3.087 1.00 0.00 C ATOM 638 C LEU A 40 4.478 -5.371 2.053 1.00 0.00 C ATOM 639 O LEU A 40 5.588 -4.970 2.400 1.00 0.00 O ATOM 640 CB LEU A 40 3.561 -7.109 3.607 1.00 0.00 C ATOM 641 CG LEU A 40 4.582 -7.278 4.734 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.163 -8.399 5.671 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.966 -7.547 4.161 1.00 0.00 C ATOM 0 H LEU A 40 1.590 -6.365 2.292 1.00 0.00 H new ATOM 0 HA LEU A 40 3.506 -4.993 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.592 -7.462 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.851 -7.751 2.775 1.00 0.00 H new ATOM 0 HG LEU A 40 4.621 -6.351 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.901 -8.504 6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.192 -8.165 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.095 -9.333 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.681 -7.665 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.942 -8.459 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.268 -6.710 3.532 1.00 0.00 H new ATOM 655 N ARG A 41 4.136 -5.555 0.777 1.00 0.00 N ATOM 656 CA ARG A 41 5.072 -5.286 -0.306 1.00 0.00 C ATOM 657 C ARG A 41 5.401 -3.800 -0.368 1.00 0.00 C ATOM 658 O ARG A 41 6.559 -3.417 -0.530 1.00 0.00 O ATOM 659 CB ARG A 41 4.487 -5.749 -1.642 1.00 0.00 C ATOM 660 CG ARG A 41 4.735 -7.220 -1.938 1.00 0.00 C ATOM 661 CD ARG A 41 6.004 -7.418 -2.750 1.00 0.00 C ATOM 662 NE ARG A 41 6.447 -8.810 -2.742 1.00 0.00 N ATOM 663 CZ ARG A 41 7.086 -9.378 -1.722 1.00 0.00 C ATOM 664 NH1 ARG A 41 7.359 -8.677 -0.627 1.00 0.00 N ATOM 665 NH2 ARG A 41 7.454 -10.650 -1.795 1.00 0.00 N ATOM 0 H ARG A 41 3.221 -5.888 0.473 1.00 0.00 H new ATOM 0 HA ARG A 41 5.990 -5.840 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.413 -5.563 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.915 -5.148 -2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.811 -7.773 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.885 -7.631 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.830 -7.099 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.794 -6.784 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 41 6.255 -9.380 -3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.079 -7.698 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.849 -9.118 0.152 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.247 -11.193 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.944 -11.085 -1.013 1.00 0.00 H new ATOM 679 N VAL A 42 4.374 -2.965 -0.227 1.00 0.00 N ATOM 680 CA VAL A 42 4.558 -1.520 -0.259 1.00 0.00 C ATOM 681 C VAL A 42 5.509 -1.067 0.845 1.00 0.00 C ATOM 682 O VAL A 42 6.134 -0.011 0.745 1.00 0.00 O ATOM 683 CB VAL A 42 3.210 -0.783 -0.112 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.411 0.725 -0.160 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.239 -1.231 -1.194 1.00 0.00 C ATOM 0 H VAL A 42 3.409 -3.265 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 42 4.992 -1.270 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 42 2.785 -1.036 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.448 1.224 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.069 1.030 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.861 1.002 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.293 -0.702 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.659 -1.009 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.068 -2.304 -1.107 1.00 0.00 H new ATOM 695 N GLY A 43 5.621 -1.878 1.892 1.00 0.00 N ATOM 696 CA GLY A 43 6.507 -1.550 2.991 1.00 0.00 C ATOM 697 C GLY A 43 7.939 -1.944 2.697 1.00 0.00 C ATOM 698 O GLY A 43 8.877 -1.249 3.090 1.00 0.00 O ATOM 0 H GLY A 43 5.113 -2.756 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.458 -0.479 3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.169 -2.058 3.894 1.00 0.00 H new ATOM 702 N GLN A 44 8.105 -3.058 1.992 1.00 0.00 N ATOM 703 CA GLN A 44 9.430 -3.544 1.630 1.00 0.00 C ATOM 704 C GLN A 44 10.035 -2.671 0.537 1.00 0.00 C ATOM 705 O GLN A 44 11.253 -2.516 0.455 1.00 0.00 O ATOM 706 CB GLN A 44 9.353 -4.997 1.159 1.00 0.00 C ATOM 707 CG GLN A 44 9.115 -5.991 2.283 1.00 0.00 C ATOM 708 CD GLN A 44 9.595 -7.387 1.941 1.00 0.00 C ATOM 709 OE1 GLN A 44 10.694 -7.567 1.416 1.00 0.00 O ATOM 710 NE2 GLN A 44 8.770 -8.385 2.234 1.00 0.00 N ATOM 0 H GLN A 44 7.337 -3.641 1.660 1.00 0.00 H new ATOM 0 HA GLN A 44 10.069 -3.494 2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.551 -5.090 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.281 -5.254 0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.626 -5.646 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.050 -6.024 2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.868 -8.190 2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.038 -9.347 2.024 1.00 0.00 H new ATOM 719 N ILE A 45 9.173 -2.096 -0.298 1.00 0.00 N ATOM 720 CA ILE A 45 9.620 -1.232 -1.381 1.00 0.00 C ATOM 721 C ILE A 45 10.316 0.006 -0.826 1.00 0.00 C ATOM 722 O ILE A 45 11.242 0.537 -1.437 1.00 0.00 O ATOM 723 CB ILE A 45 8.434 -0.811 -2.279 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.787 -2.048 -2.906 1.00 0.00 C ATOM 725 CG2 ILE A 45 8.879 0.159 -3.367 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.318 -1.868 -3.220 1.00 0.00 C ATOM 0 H ILE A 45 8.161 -2.214 -0.243 1.00 0.00 H new ATOM 0 HA ILE A 45 10.330 -1.796 -1.987 1.00 0.00 H new ATOM 0 HB ILE A 45 7.702 -0.300 -1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.318 -2.300 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.904 -2.893 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.022 0.435 -3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.300 1.053 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.634 -0.317 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.925 -2.784 -3.662 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.774 -1.646 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.194 -1.044 -3.923 1.00 0.00 H new ATOM 738 N LEU A 46 9.871 0.455 0.342 1.00 0.00 N ATOM 739 CA LEU A 46 10.463 1.621 0.981 1.00 0.00 C ATOM 740 C LEU A 46 11.717 1.223 1.747 1.00 0.00 C ATOM 741 O LEU A 46 12.687 1.978 1.810 1.00 0.00 O ATOM 742 CB LEU A 46 9.458 2.278 1.929 1.00 0.00 C ATOM 743 CG LEU A 46 9.912 3.606 2.540 1.00 0.00 C ATOM 744 CD1 LEU A 46 10.943 3.369 3.632 1.00 0.00 C ATOM 745 CD2 LEU A 46 10.473 4.528 1.465 1.00 0.00 C ATOM 0 H LEU A 46 9.104 0.030 0.863 1.00 0.00 H new ATOM 0 HA LEU A 46 10.735 2.338 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.527 2.445 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.236 1.581 2.737 1.00 0.00 H new ATOM 0 HG LEU A 46 9.044 4.090 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.253 4.325 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.506 2.751 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.810 2.861 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.790 5.466 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.327 4.050 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.704 4.728 0.719 1.00 0.00 H new ATOM 757 N LYS A 47 11.688 0.029 2.326 1.00 0.00 N ATOM 758 CA LYS A 47 12.819 -0.482 3.089 1.00 0.00 C ATOM 759 C LYS A 47 13.918 -0.988 2.160 1.00 0.00 C ATOM 760 O LYS A 47 15.093 -0.999 2.527 1.00 0.00 O ATOM 761 CB LYS A 47 12.365 -1.606 4.022 1.00 0.00 C ATOM 762 CG LYS A 47 11.557 -1.119 5.212 1.00 0.00 C ATOM 763 CD LYS A 47 10.543 -2.160 5.660 1.00 0.00 C ATOM 764 CE LYS A 47 11.118 -3.073 6.731 1.00 0.00 C ATOM 765 NZ LYS A 47 10.054 -3.835 7.441 1.00 0.00 N ATOM 0 H LYS A 47 10.890 -0.605 2.281 1.00 0.00 H new ATOM 0 HA LYS A 47 13.222 0.336 3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.767 -2.319 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.242 -2.143 4.384 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.229 -0.885 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.041 -0.196 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.654 -1.661 6.045 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.229 -2.756 4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.821 -3.770 6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.681 -2.479 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.487 -4.446 8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.397 -3.171 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.533 -4.422 6.759 1.00 0.00 H new ATOM 779 N GLU A 48 13.532 -1.406 0.956 1.00 0.00 N ATOM 780 CA GLU A 48 14.494 -1.910 -0.018 1.00 0.00 C ATOM 781 C GLU A 48 15.566 -0.863 -0.316 1.00 0.00 C ATOM 782 O GLU A 48 15.286 0.157 -0.946 1.00 0.00 O ATOM 783 CB GLU A 48 13.779 -2.305 -1.313 1.00 0.00 C ATOM 784 CG GLU A 48 13.320 -3.753 -1.337 1.00 0.00 C ATOM 785 CD GLU A 48 13.525 -4.407 -2.690 1.00 0.00 C ATOM 786 OE1 GLU A 48 14.693 -4.584 -3.092 1.00 0.00 O ATOM 787 OE2 GLU A 48 12.516 -4.740 -3.346 1.00 0.00 O ATOM 0 H GLU A 48 12.564 -1.405 0.634 1.00 0.00 H new ATOM 0 HA GLU A 48 14.978 -2.790 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.914 -1.656 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.448 -2.131 -2.155 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.865 -4.316 -0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.264 -3.800 -1.071 1.00 0.00 H new ATOM 794 N PRO A 49 16.814 -1.095 0.135 1.00 0.00 N ATOM 795 CA PRO A 49 17.919 -0.157 -0.092 1.00 0.00 C ATOM 796 C PRO A 49 18.041 0.246 -1.557 1.00 0.00 C ATOM 797 O PRO A 49 18.496 1.345 -1.874 1.00 0.00 O ATOM 798 CB PRO A 49 19.153 -0.941 0.357 1.00 0.00 C ATOM 799 CG PRO A 49 18.635 -1.920 1.353 1.00 0.00 C ATOM 800 CD PRO A 49 17.248 -2.282 0.898 1.00 0.00 C ATOM 0 HA PRO A 49 17.778 0.779 0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.630 -1.445 -0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.901 -0.283 0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.273 -2.803 1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.617 -1.486 2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.250 -3.179 0.278 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.588 -2.480 1.742 1.00 0.00 H new ATOM 808 N LYS A 50 17.618 -0.646 -2.446 1.00 0.00 N ATOM 809 CA LYS A 50 17.664 -0.378 -3.877 1.00 0.00 C ATOM 810 C LYS A 50 16.315 0.147 -4.358 1.00 0.00 C ATOM 811 O LYS A 50 15.925 -0.064 -5.506 1.00 0.00 O ATOM 812 CB LYS A 50 18.038 -1.646 -4.647 1.00 0.00 C ATOM 813 CG LYS A 50 19.294 -2.325 -4.127 1.00 0.00 C ATOM 814 CD LYS A 50 18.960 -3.444 -3.153 1.00 0.00 C ATOM 815 CE LYS A 50 18.981 -4.802 -3.838 1.00 0.00 C ATOM 816 NZ LYS A 50 17.976 -5.733 -3.256 1.00 0.00 N ATOM 0 H LYS A 50 17.240 -1.561 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 50 18.425 0.380 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.207 -2.350 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.180 -1.394 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.864 -2.728 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.929 -1.589 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.676 -3.438 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.975 -3.269 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.784 -4.675 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.976 -5.239 -3.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.022 -6.647 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.178 -5.875 -2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.024 -5.328 -3.365 1.00 0.00 H new ATOM 830 N MET A 51 15.606 0.827 -3.461 1.00 0.00 N ATOM 831 CA MET A 51 14.297 1.382 -3.775 1.00 0.00 C ATOM 832 C MET A 51 13.967 2.566 -2.867 1.00 0.00 C ATOM 833 O MET A 51 13.297 3.510 -3.286 1.00 0.00 O ATOM 834 CB MET A 51 13.223 0.301 -3.638 1.00 0.00 C ATOM 835 CG MET A 51 11.880 0.694 -4.230 1.00 0.00 C ATOM 836 SD MET A 51 11.997 1.167 -5.967 1.00 0.00 S ATOM 837 CE MET A 51 11.456 2.873 -5.891 1.00 0.00 C ATOM 0 H MET A 51 15.920 1.006 -2.507 1.00 0.00 H new ATOM 0 HA MET A 51 14.319 1.740 -4.804 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.572 -0.609 -4.125 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.090 0.066 -2.582 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.186 -0.140 -4.131 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.465 1.524 -3.659 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.813 3.408 -6.771 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.367 2.908 -5.862 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.858 3.343 -4.993 1.00 0.00 H new ATOM 847 N ALA A 52 14.442 2.515 -1.623 1.00 0.00 N ATOM 848 CA ALA A 52 14.191 3.587 -0.668 1.00 0.00 C ATOM 849 C ALA A 52 14.725 4.918 -1.186 1.00 0.00 C ATOM 850 O ALA A 52 14.017 5.925 -1.187 1.00 0.00 O ATOM 851 CB ALA A 52 14.819 3.253 0.676 1.00 0.00 C ATOM 0 H ALA A 52 15.001 1.744 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 52 13.113 3.682 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.624 4.062 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.389 2.327 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.895 3.130 0.554 1.00 0.00 H new ATOM 857 N ALA A 53 15.979 4.914 -1.625 1.00 0.00 N ATOM 858 CA ALA A 53 16.609 6.120 -2.148 1.00 0.00 C ATOM 859 C ALA A 53 15.851 6.655 -3.358 1.00 0.00 C ATOM 860 O ALA A 53 15.844 7.858 -3.617 1.00 0.00 O ATOM 861 CB ALA A 53 18.060 5.842 -2.510 1.00 0.00 C ATOM 0 H ALA A 53 16.579 4.089 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 53 16.581 6.883 -1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.518 6.751 -2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.600 5.515 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.102 5.061 -3.269 1.00 0.00 H new ATOM 867 N SER A 54 15.217 5.751 -4.099 1.00 0.00 N ATOM 868 CA SER A 54 14.456 6.132 -5.284 1.00 0.00 C ATOM 869 C SER A 54 13.126 6.772 -4.897 1.00 0.00 C ATOM 870 O SER A 54 12.762 7.829 -5.412 1.00 0.00 O ATOM 871 CB SER A 54 14.207 4.909 -6.170 1.00 0.00 C ATOM 872 OG SER A 54 15.406 4.477 -6.790 1.00 0.00 O ATOM 0 H SER A 54 15.215 4.751 -3.900 1.00 0.00 H new ATOM 0 HA SER A 54 15.042 6.864 -5.840 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.792 4.099 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.467 5.153 -6.932 1.00 0.00 H new ATOM 0 HG SER A 54 15.221 3.694 -7.349 1.00 0.00 H new ATOM 878 N LEU A 55 12.403 6.123 -3.990 1.00 0.00 N ATOM 879 CA LEU A 55 11.113 6.629 -3.537 1.00 0.00 C ATOM 880 C LEU A 55 11.258 8.010 -2.906 1.00 0.00 C ATOM 881 O LEU A 55 10.336 8.824 -2.953 1.00 0.00 O ATOM 882 CB LEU A 55 10.487 5.660 -2.531 1.00 0.00 C ATOM 883 CG LEU A 55 9.886 4.393 -3.140 1.00 0.00 C ATOM 884 CD1 LEU A 55 9.534 3.392 -2.050 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.659 4.733 -3.971 1.00 0.00 C ATOM 0 H LEU A 55 12.689 5.246 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 55 10.460 6.714 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.248 5.371 -1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.707 6.186 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 55 10.630 3.939 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.108 2.497 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.434 3.125 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.808 3.836 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.244 3.820 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.911 5.210 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.941 5.413 -4.775 1.00 0.00 H new ATOM 897 N LEU A 56 12.420 8.268 -2.316 1.00 0.00 N ATOM 898 CA LEU A 56 12.685 9.550 -1.674 1.00 0.00 C ATOM 899 C LEU A 56 13.448 10.492 -2.606 1.00 0.00 C ATOM 900 O LEU A 56 13.527 11.694 -2.355 1.00 0.00 O ATOM 901 CB LEU A 56 13.478 9.342 -0.383 1.00 0.00 C ATOM 902 CG LEU A 56 13.849 10.625 0.363 1.00 0.00 C ATOM 903 CD1 LEU A 56 13.767 10.412 1.867 1.00 0.00 C ATOM 904 CD2 LEU A 56 15.243 11.088 -0.036 1.00 0.00 C ATOM 0 H LEU A 56 13.194 7.605 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 56 11.725 10.009 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.896 8.707 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.394 8.800 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 56 13.136 11.402 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.034 11.336 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.751 10.127 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.457 9.621 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.491 12.002 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.968 10.313 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.269 11.282 -1.108 1.00 0.00 H new ATOM 916 N ASN A 57 14.009 9.942 -3.681 1.00 0.00 N ATOM 917 CA ASN A 57 14.764 10.738 -4.641 1.00 0.00 C ATOM 918 C ASN A 57 13.909 11.876 -5.201 1.00 0.00 C ATOM 919 O ASN A 57 12.776 11.654 -5.626 1.00 0.00 O ATOM 920 CB ASN A 57 15.263 9.852 -5.785 1.00 0.00 C ATOM 921 CG ASN A 57 16.721 10.101 -6.115 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.491 10.565 -5.275 1.00 0.00 O ATOM 923 ND2 ASN A 57 17.108 9.792 -7.349 1.00 0.00 N ATOM 0 H ASN A 57 13.954 8.949 -3.907 1.00 0.00 H new ATOM 0 HA ASN A 57 15.619 11.172 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.128 8.805 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.656 10.033 -6.672 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.077 9.938 -7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.436 9.409 -8.014 1.00 0.00 H new ATOM 930 N PRO A 58 14.440 13.114 -5.214 1.00 0.00 N ATOM 931 CA PRO A 58 13.711 14.279 -5.733 1.00 0.00 C ATOM 932 C PRO A 58 13.309 14.112 -7.197 1.00 0.00 C ATOM 933 O PRO A 58 12.467 14.851 -7.708 1.00 0.00 O ATOM 934 CB PRO A 58 14.710 15.432 -5.585 1.00 0.00 C ATOM 935 CG PRO A 58 15.693 14.968 -4.569 1.00 0.00 C ATOM 936 CD PRO A 58 15.783 13.479 -4.732 1.00 0.00 C ATOM 0 HA PRO A 58 12.776 14.438 -5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.199 15.654 -6.534 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.212 16.346 -5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.665 15.437 -4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.368 15.232 -3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.558 13.198 -5.445 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.022 12.984 -3.791 1.00 0.00 H new ATOM 944 N TYR A 59 13.922 13.143 -7.869 1.00 0.00 N ATOM 945 CA TYR A 59 13.638 12.882 -9.276 1.00 0.00 C ATOM 946 C TYR A 59 12.392 12.015 -9.442 1.00 0.00 C ATOM 947 O TYR A 59 11.796 11.973 -10.518 1.00 0.00 O ATOM 948 CB TYR A 59 14.839 12.202 -9.933 1.00 0.00 C ATOM 949 CG TYR A 59 16.155 12.887 -9.639 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.821 12.668 -8.439 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.727 13.757 -10.557 1.00 0.00 C ATOM 952 CE1 TYR A 59 18.019 13.296 -8.163 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.926 14.390 -10.289 1.00 0.00 C ATOM 954 CZ TYR A 59 18.568 14.156 -9.091 1.00 0.00 C ATOM 955 OH TYR A 59 19.762 14.784 -8.820 1.00 0.00 O ATOM 0 H TYR A 59 14.621 12.523 -7.460 1.00 0.00 H new ATOM 0 HA TYR A 59 13.449 13.838 -9.764 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.892 11.168 -9.592 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.686 12.174 -11.012 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.394 11.995 -7.710 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.227 13.942 -11.496 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.524 13.115 -7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.358 15.064 -11.014 1.00 0.00 H new ATOM 0 HH TYR A 59 20.011 15.355 -9.577 1.00 0.00 H new ATOM 965 N VAL A 60 12.002 11.322 -8.374 1.00 0.00 N ATOM 966 CA VAL A 60 10.827 10.458 -8.411 1.00 0.00 C ATOM 967 C VAL A 60 9.600 11.211 -8.919 1.00 0.00 C ATOM 968 O VAL A 60 8.761 10.648 -9.623 1.00 0.00 O ATOM 969 CB VAL A 60 10.520 9.868 -7.021 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.179 10.971 -6.030 1.00 0.00 C ATOM 971 CG2 VAL A 60 9.391 8.852 -7.108 1.00 0.00 C ATOM 0 H VAL A 60 12.482 11.343 -7.474 1.00 0.00 H new ATOM 0 HA VAL A 60 11.056 9.645 -9.100 1.00 0.00 H new ATOM 0 HB VAL A 60 11.413 9.356 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.966 10.532 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.023 11.655 -5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.304 11.517 -6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.189 8.447 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.493 9.337 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.680 8.043 -7.779 1.00 0.00 H new ATOM 981 N LYS A 61 9.503 12.488 -8.560 1.00 0.00 N ATOM 982 CA LYS A 61 8.382 13.320 -8.980 1.00 0.00 C ATOM 983 C LYS A 61 7.053 12.703 -8.550 1.00 0.00 C ATOM 984 O LYS A 61 7.024 11.680 -7.867 1.00 0.00 O ATOM 985 CB LYS A 61 8.402 13.510 -10.498 1.00 0.00 C ATOM 986 CG LYS A 61 9.114 14.777 -10.941 1.00 0.00 C ATOM 987 CD LYS A 61 10.622 14.646 -10.802 1.00 0.00 C ATOM 988 CE LYS A 61 11.261 14.162 -12.093 1.00 0.00 C ATOM 989 NZ LYS A 61 11.246 15.212 -13.149 1.00 0.00 N ATOM 0 H LYS A 61 10.189 12.969 -7.978 1.00 0.00 H new ATOM 0 HA LYS A 61 8.483 14.292 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.889 12.650 -10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.377 13.531 -10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.861 14.994 -11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.764 15.620 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.048 15.610 -10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.855 13.950 -9.996 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.290 13.859 -11.897 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.731 13.279 -12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.950 14.981 -13.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.301 15.256 -13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.476 16.134 -12.725 1.00 0.00 H new ATOM 1003 N ARG A 62 5.956 13.334 -8.957 1.00 0.00 N ATOM 1004 CA ARG A 62 4.624 12.847 -8.616 1.00 0.00 C ATOM 1005 C ARG A 62 4.005 12.090 -9.787 1.00 0.00 C ATOM 1006 O ARG A 62 3.498 10.981 -9.623 1.00 0.00 O ATOM 1007 CB ARG A 62 3.720 14.013 -8.211 1.00 0.00 C ATOM 1008 CG ARG A 62 2.760 13.675 -7.083 1.00 0.00 C ATOM 1009 CD ARG A 62 1.480 14.490 -7.177 1.00 0.00 C ATOM 1010 NE ARG A 62 1.544 15.706 -6.369 1.00 0.00 N ATOM 1011 CZ ARG A 62 0.496 16.488 -6.124 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -0.698 16.186 -6.620 1.00 0.00 N ATOM 1013 NH2 ARG A 62 0.640 17.576 -5.379 1.00 0.00 N ATOM 0 H ARG A 62 5.963 14.183 -9.523 1.00 0.00 H new ATOM 0 HA ARG A 62 4.719 12.161 -7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.342 14.855 -7.908 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.147 14.336 -9.080 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.519 12.612 -7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.243 13.864 -6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.295 14.756 -8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.638 13.881 -6.849 1.00 0.00 H new ATOM 0 HE ARG A 62 2.445 15.971 -5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.816 15.350 -7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.497 16.790 -6.428 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.554 17.813 -4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.164 18.176 -5.191 1.00 0.00 H new ATOM 1027 N SER A 63 4.052 12.697 -10.968 1.00 0.00 N ATOM 1028 CA SER A 63 3.497 12.080 -12.167 1.00 0.00 C ATOM 1029 C SER A 63 4.330 10.876 -12.593 1.00 0.00 C ATOM 1030 O SER A 63 3.790 9.824 -12.936 1.00 0.00 O ATOM 1031 CB SER A 63 3.430 13.098 -13.306 1.00 0.00 C ATOM 1032 OG SER A 63 2.336 12.829 -14.167 1.00 0.00 O ATOM 0 H SER A 63 4.469 13.615 -11.121 1.00 0.00 H new ATOM 0 HA SER A 63 2.488 11.738 -11.936 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.335 14.103 -12.895 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.359 13.073 -13.875 1.00 0.00 H new ATOM 0 HG SER A 63 2.314 13.495 -14.886 1.00 0.00 H new ATOM 1038 N VAL A 64 5.649 11.036 -12.567 1.00 0.00 N ATOM 1039 CA VAL A 64 6.557 9.961 -12.950 1.00 0.00 C ATOM 1040 C VAL A 64 6.351 8.733 -12.071 1.00 0.00 C ATOM 1041 O VAL A 64 6.327 7.603 -12.561 1.00 0.00 O ATOM 1042 CB VAL A 64 8.028 10.407 -12.855 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.948 9.342 -13.433 1.00 0.00 C ATOM 1044 CG2 VAL A 64 8.229 11.738 -13.564 1.00 0.00 C ATOM 0 H VAL A 64 6.113 11.899 -12.285 1.00 0.00 H new ATOM 0 HA VAL A 64 6.330 9.707 -13.985 1.00 0.00 H new ATOM 0 HB VAL A 64 8.281 10.540 -11.803 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.983 9.675 -13.357 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.824 8.413 -12.876 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.697 9.174 -14.480 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.274 12.037 -13.486 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.958 11.635 -14.615 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.599 12.497 -13.099 1.00 0.00 H new ATOM 1054 N LYS A 65 6.199 8.961 -10.770 1.00 0.00 N ATOM 1055 CA LYS A 65 5.991 7.873 -9.823 1.00 0.00 C ATOM 1056 C LYS A 65 4.758 7.055 -10.199 1.00 0.00 C ATOM 1057 O LYS A 65 4.698 5.851 -9.946 1.00 0.00 O ATOM 1058 CB LYS A 65 5.839 8.425 -8.404 1.00 0.00 C ATOM 1059 CG LYS A 65 6.656 7.671 -7.368 1.00 0.00 C ATOM 1060 CD LYS A 65 5.894 6.476 -6.818 1.00 0.00 C ATOM 1061 CE LYS A 65 6.809 5.281 -6.600 1.00 0.00 C ATOM 1062 NZ LYS A 65 6.524 4.180 -7.561 1.00 0.00 N ATOM 0 H LYS A 65 6.216 9.890 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 65 6.863 7.221 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.137 9.473 -8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.787 8.391 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.590 7.333 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.919 8.343 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.420 6.749 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.096 6.203 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.847 5.595 -6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.689 4.913 -5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.312 3.502 -7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.648 3.694 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.413 4.574 -8.517 1.00 0.00 H new ATOM 1076 N VAL A 66 3.779 7.717 -10.807 1.00 0.00 N ATOM 1077 CA VAL A 66 2.550 7.052 -11.220 1.00 0.00 C ATOM 1078 C VAL A 66 2.843 5.928 -12.208 1.00 0.00 C ATOM 1079 O VAL A 66 2.300 4.829 -12.091 1.00 0.00 O ATOM 1080 CB VAL A 66 1.561 8.043 -11.862 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.234 7.361 -12.164 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.351 9.250 -10.957 1.00 0.00 C ATOM 0 H VAL A 66 3.813 8.713 -11.024 1.00 0.00 H new ATOM 0 HA VAL A 66 2.097 6.635 -10.321 1.00 0.00 H new ATOM 0 HB VAL A 66 1.987 8.389 -12.804 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.449 8.079 -12.617 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.399 6.533 -12.853 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.199 6.982 -11.238 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.649 9.939 -11.427 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.950 8.921 -9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.304 9.755 -10.797 1.00 0.00 H new ATOM 1092 N LYS A 67 3.708 6.208 -13.178 1.00 0.00 N ATOM 1093 CA LYS A 67 4.074 5.216 -14.181 1.00 0.00 C ATOM 1094 C LYS A 67 4.823 4.054 -13.539 1.00 0.00 C ATOM 1095 O LYS A 67 4.544 2.889 -13.823 1.00 0.00 O ATOM 1096 CB LYS A 67 4.934 5.854 -15.274 1.00 0.00 C ATOM 1097 CG LYS A 67 4.125 6.485 -16.394 1.00 0.00 C ATOM 1098 CD LYS A 67 4.812 7.722 -16.949 1.00 0.00 C ATOM 1099 CE LYS A 67 4.240 8.995 -16.347 1.00 0.00 C ATOM 1100 NZ LYS A 67 4.806 10.215 -16.987 1.00 0.00 N ATOM 0 H LYS A 67 4.167 7.112 -13.290 1.00 0.00 H new ATOM 0 HA LYS A 67 3.158 4.833 -14.632 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.572 6.615 -14.825 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.592 5.095 -15.696 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.980 5.758 -17.194 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.135 6.753 -16.023 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.881 7.669 -16.742 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.698 7.748 -18.033 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.156 8.995 -16.461 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.448 9.016 -15.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.391 11.062 -16.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.838 10.228 -16.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.585 10.208 -18.003 1.00 0.00 H new ATOM 1114 N SER A 68 5.771 4.380 -12.667 1.00 0.00 N ATOM 1115 CA SER A 68 6.556 3.362 -11.979 1.00 0.00 C ATOM 1116 C SER A 68 5.665 2.513 -11.079 1.00 0.00 C ATOM 1117 O SER A 68 5.965 1.349 -10.811 1.00 0.00 O ATOM 1118 CB SER A 68 7.664 4.016 -11.151 1.00 0.00 C ATOM 1119 OG SER A 68 7.129 4.701 -10.032 1.00 0.00 O ATOM 0 H SER A 68 6.014 5.339 -12.420 1.00 0.00 H new ATOM 0 HA SER A 68 7.010 2.715 -12.730 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.367 3.255 -10.813 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.224 4.713 -11.774 1.00 0.00 H new ATOM 0 HG SER A 68 6.219 5.002 -10.237 1.00 0.00 H new ATOM 1125 N LEU A 69 4.567 3.103 -10.613 1.00 0.00 N ATOM 1126 CA LEU A 69 3.632 2.400 -9.743 1.00 0.00 C ATOM 1127 C LEU A 69 2.918 1.284 -10.499 1.00 0.00 C ATOM 1128 O LEU A 69 2.504 0.287 -9.907 1.00 0.00 O ATOM 1129 CB LEU A 69 2.608 3.379 -9.166 1.00 0.00 C ATOM 1130 CG LEU A 69 3.111 4.227 -7.996 1.00 0.00 C ATOM 1131 CD1 LEU A 69 2.234 5.456 -7.810 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.155 3.400 -6.719 1.00 0.00 C ATOM 0 H LEU A 69 4.304 4.066 -10.824 1.00 0.00 H new ATOM 0 HA LEU A 69 4.199 1.954 -8.926 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.277 4.046 -9.962 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.734 2.816 -8.838 1.00 0.00 H new ATOM 0 HG LEU A 69 4.123 4.562 -8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.608 6.046 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.255 6.059 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.210 5.144 -7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.515 4.019 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.154 3.035 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.827 2.553 -6.857 1.00 0.00 H new ATOM 1144 N SER A 70 2.775 1.458 -11.810 1.00 0.00 N ATOM 1145 CA SER A 70 2.112 0.463 -12.642 1.00 0.00 C ATOM 1146 C SER A 70 3.057 -0.687 -12.976 1.00 0.00 C ATOM 1147 O SER A 70 2.620 -1.815 -13.205 1.00 0.00 O ATOM 1148 CB SER A 70 1.600 1.107 -13.932 1.00 0.00 C ATOM 1149 OG SER A 70 0.398 0.494 -14.367 1.00 0.00 O ATOM 0 H SER A 70 3.109 2.278 -12.317 1.00 0.00 H new ATOM 0 HA SER A 70 1.267 0.063 -12.081 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.430 2.171 -13.768 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.358 1.021 -14.711 1.00 0.00 H new ATOM 0 HG SER A 70 0.091 0.925 -15.192 1.00 0.00 H new ATOM 1155 N ASP A 71 4.354 -0.396 -13.001 1.00 0.00 N ATOM 1156 CA ASP A 71 5.357 -1.412 -13.307 1.00 0.00 C ATOM 1157 C ASP A 71 5.851 -2.108 -12.042 1.00 0.00 C ATOM 1158 O ASP A 71 6.627 -3.061 -12.113 1.00 0.00 O ATOM 1159 CB ASP A 71 6.535 -0.789 -14.057 1.00 0.00 C ATOM 1160 CG ASP A 71 6.136 -0.252 -15.418 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.264 0.640 -15.472 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.697 -0.725 -16.429 1.00 0.00 O ATOM 0 H ASP A 71 4.735 0.532 -12.814 1.00 0.00 H new ATOM 0 HA ASP A 71 4.885 -2.162 -13.942 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.956 0.020 -13.460 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.320 -1.536 -14.180 1.00 0.00 H new ATOM 1167 N MET A 72 5.382 -1.649 -10.886 1.00 0.00 N ATOM 1168 CA MET A 72 5.762 -2.255 -9.617 1.00 0.00 C ATOM 1169 C MET A 72 4.604 -3.094 -9.101 1.00 0.00 C ATOM 1170 O MET A 72 4.797 -4.105 -8.425 1.00 0.00 O ATOM 1171 CB MET A 72 6.150 -1.182 -8.594 1.00 0.00 C ATOM 1172 CG MET A 72 4.967 -0.411 -8.030 1.00 0.00 C ATOM 1173 SD MET A 72 5.464 0.865 -6.858 1.00 0.00 S ATOM 1174 CE MET A 72 4.331 0.546 -5.509 1.00 0.00 C ATOM 0 H MET A 72 4.740 -0.861 -10.803 1.00 0.00 H new ATOM 0 HA MET A 72 6.632 -2.893 -9.771 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.688 -1.655 -7.772 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.839 -0.479 -9.063 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.414 0.049 -8.849 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.287 -1.106 -7.538 1.00 0.00 H new ATOM 0 HE1 MET A 72 4.284 1.420 -4.859 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.339 0.338 -5.909 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.679 -0.314 -4.937 1.00 0.00 H new ATOM 1184 N THR A 73 3.399 -2.665 -9.454 1.00 0.00 N ATOM 1185 CA THR A 73 2.188 -3.360 -9.067 1.00 0.00 C ATOM 1186 C THR A 73 2.056 -4.651 -9.871 1.00 0.00 C ATOM 1187 O THR A 73 1.510 -5.642 -9.388 1.00 0.00 O ATOM 1188 CB THR A 73 0.981 -2.434 -9.290 1.00 0.00 C ATOM 1189 OG1 THR A 73 0.830 -1.536 -8.208 1.00 0.00 O ATOM 1190 CG2 THR A 73 -0.340 -3.144 -9.470 1.00 0.00 C ATOM 0 H THR A 73 3.239 -1.828 -10.015 1.00 0.00 H new ATOM 0 HA THR A 73 2.228 -3.626 -8.011 1.00 0.00 H new ATOM 0 HB THR A 73 1.212 -1.919 -10.222 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.221 -0.669 -8.445 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.131 -2.409 -9.621 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.285 -3.801 -10.338 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.559 -3.735 -8.581 1.00 0.00 H new ATOM 1198 N ALA A 74 2.570 -4.633 -11.100 1.00 0.00 N ATOM 1199 CA ALA A 74 2.516 -5.805 -11.964 1.00 0.00 C ATOM 1200 C ALA A 74 3.725 -6.714 -11.743 1.00 0.00 C ATOM 1201 O ALA A 74 3.899 -7.707 -12.449 1.00 0.00 O ATOM 1202 CB ALA A 74 2.432 -5.381 -13.422 1.00 0.00 C ATOM 0 H ALA A 74 3.027 -3.821 -11.516 1.00 0.00 H new ATOM 0 HA ALA A 74 1.621 -6.371 -11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.392 -6.266 -14.057 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.533 -4.784 -13.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.310 -4.789 -13.680 1.00 0.00 H new ATOM 1208 N LYS A 75 4.559 -6.369 -10.763 1.00 0.00 N ATOM 1209 CA LYS A 75 5.747 -7.158 -10.460 1.00 0.00 C ATOM 1210 C LYS A 75 5.750 -7.609 -9.001 1.00 0.00 C ATOM 1211 O LYS A 75 6.115 -8.744 -8.696 1.00 0.00 O ATOM 1212 CB LYS A 75 7.011 -6.349 -10.757 1.00 0.00 C ATOM 1213 CG LYS A 75 7.059 -5.792 -12.171 1.00 0.00 C ATOM 1214 CD LYS A 75 7.461 -6.860 -13.176 1.00 0.00 C ATOM 1215 CE LYS A 75 7.487 -6.309 -14.592 1.00 0.00 C ATOM 1216 NZ LYS A 75 8.549 -6.949 -15.417 1.00 0.00 N ATOM 0 H LYS A 75 4.433 -5.550 -10.168 1.00 0.00 H new ATOM 0 HA LYS A 75 5.732 -8.045 -11.094 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.079 -5.524 -10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.884 -6.982 -10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.082 -5.389 -12.438 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.768 -4.965 -12.214 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.445 -7.252 -12.919 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.762 -7.694 -13.122 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.516 -6.469 -15.062 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.652 -5.232 -14.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.534 -6.546 -16.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.478 -6.775 -14.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.378 -7.973 -15.469 1.00 0.00 H new ATOM 1230 N GLU A 76 5.344 -6.714 -8.105 1.00 0.00 N ATOM 1231 CA GLU A 76 5.303 -7.027 -6.681 1.00 0.00 C ATOM 1232 C GLU A 76 4.184 -8.013 -6.372 1.00 0.00 C ATOM 1233 O GLU A 76 4.418 -9.078 -5.802 1.00 0.00 O ATOM 1234 CB GLU A 76 5.115 -5.749 -5.862 1.00 0.00 C ATOM 1235 CG GLU A 76 6.419 -5.047 -5.520 1.00 0.00 C ATOM 1236 CD GLU A 76 7.266 -4.762 -6.744 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.649 -5.727 -7.438 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.547 -3.575 -7.008 1.00 0.00 O ATOM 0 H GLU A 76 5.040 -5.769 -8.339 1.00 0.00 H new ATOM 0 HA GLU A 76 6.252 -7.488 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.477 -5.062 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.591 -5.993 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.199 -4.110 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.988 -5.664 -4.825 1.00 0.00 H new ATOM 1245 N LYS A 77 2.965 -7.643 -6.751 1.00 0.00 N ATOM 1246 CA LYS A 77 1.790 -8.479 -6.521 1.00 0.00 C ATOM 1247 C LYS A 77 0.517 -7.676 -6.763 1.00 0.00 C ATOM 1248 O LYS A 77 -0.506 -8.222 -7.179 1.00 0.00 O ATOM 1249 CB LYS A 77 1.792 -9.041 -5.096 1.00 0.00 C ATOM 1250 CG LYS A 77 2.215 -10.498 -5.017 1.00 0.00 C ATOM 1251 CD LYS A 77 2.985 -10.787 -3.738 1.00 0.00 C ATOM 1252 CE LYS A 77 4.071 -11.826 -3.965 1.00 0.00 C ATOM 1253 NZ LYS A 77 3.532 -13.066 -4.589 1.00 0.00 N ATOM 0 H LYS A 77 2.763 -6.762 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 77 1.823 -9.314 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.463 -8.443 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.793 -8.938 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.333 -11.137 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.834 -10.745 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.433 -9.866 -3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.297 -11.140 -2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.847 -11.406 -4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.541 -12.073 -3.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.242 -13.823 -4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.669 -13.359 -4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.308 -12.883 -5.588 1.00 0.00 H new ATOM 1267 N PHE A 78 0.593 -6.374 -6.496 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.538 -5.472 -6.679 1.00 0.00 C ATOM 1269 C PHE A 78 -1.200 -5.656 -8.024 1.00 0.00 C ATOM 1270 O PHE A 78 -0.770 -6.470 -8.840 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.086 -4.027 -6.564 1.00 0.00 C ATOM 1272 CG PHE A 78 0.843 -3.774 -5.433 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.769 -4.519 -4.270 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.813 -2.805 -5.550 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.658 -4.294 -3.242 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.700 -2.567 -4.528 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.626 -3.314 -3.369 1.00 0.00 C ATOM 0 H PHE A 78 1.437 -5.918 -6.148 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.258 -5.712 -5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.401 -3.734 -7.494 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.963 -3.390 -6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.010 -5.281 -4.167 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.878 -2.223 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.599 -4.882 -2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.452 -1.799 -4.631 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.322 -3.134 -2.563 1.00 0.00 H new ATOM 1287 N SER A 79 -2.234 -4.849 -8.239 1.00 0.00 N ATOM 1288 CA SER A 79 -2.996 -4.833 -9.483 1.00 0.00 C ATOM 1289 C SER A 79 -4.499 -4.797 -9.223 1.00 0.00 C ATOM 1290 O SER A 79 -5.237 -4.142 -9.960 1.00 0.00 O ATOM 1291 CB SER A 79 -2.668 -6.020 -10.403 1.00 0.00 C ATOM 1292 OG SER A 79 -2.881 -7.259 -9.749 1.00 0.00 O ATOM 0 H SER A 79 -2.570 -4.180 -7.546 1.00 0.00 H new ATOM 0 HA SER A 79 -2.696 -3.918 -9.994 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.287 -5.969 -11.299 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.630 -5.953 -10.729 1.00 0.00 H new ATOM 0 HG SER A 79 -2.033 -7.585 -9.382 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.999 -5.534 -8.215 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.415 -5.594 -7.934 1.00 0.00 C ATOM 1300 C PRO A 80 -6.878 -4.726 -6.770 1.00 0.00 C ATOM 1301 O PRO A 80 -7.513 -3.692 -6.985 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.601 -7.075 -7.612 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.270 -7.535 -7.069 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.270 -6.420 -7.310 1.00 0.00 C ATOM 0 HA PRO A 80 -7.006 -5.211 -8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.396 -7.222 -6.881 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.879 -7.639 -8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.346 -7.758 -6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.950 -8.451 -7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.993 -5.916 -6.384 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.349 -6.791 -7.759 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.577 -5.133 -5.541 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.994 -4.354 -4.387 1.00 0.00 C ATOM 1314 C LEU A 81 -5.878 -3.428 -3.963 1.00 0.00 C ATOM 1315 O LEU A 81 -5.986 -2.701 -2.976 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.402 -5.264 -3.236 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.873 -5.688 -3.243 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.779 -4.484 -3.025 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.218 -6.386 -4.548 1.00 0.00 C ATOM 0 H LEU A 81 -6.056 -5.982 -5.323 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.863 -3.757 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.780 -6.159 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.190 -4.755 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.033 -6.389 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.820 -4.806 -3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.549 -4.025 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.617 -3.758 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.267 -6.681 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.041 -5.707 -5.382 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.593 -7.272 -4.663 1.00 0.00 H new ATOM 1331 N THR A 82 -4.805 -3.463 -4.734 1.00 0.00 N ATOM 1332 CA THR A 82 -3.656 -2.639 -4.479 1.00 0.00 C ATOM 1333 C THR A 82 -3.395 -1.713 -5.659 1.00 0.00 C ATOM 1334 O THR A 82 -2.496 -0.878 -5.610 1.00 0.00 O ATOM 1335 CB THR A 82 -2.443 -3.512 -4.200 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.817 -4.878 -4.128 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.751 -3.149 -2.904 1.00 0.00 C ATOM 0 H THR A 82 -4.714 -4.066 -5.552 1.00 0.00 H new ATOM 0 HA THR A 82 -3.850 -2.023 -3.601 1.00 0.00 H new ATOM 0 HB THR A 82 -1.753 -3.342 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.366 -5.025 -3.330 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.892 -3.803 -2.754 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.414 -2.113 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.447 -3.269 -2.074 1.00 0.00 H new ATOM 1345 N SER A 83 -4.198 -1.842 -6.719 1.00 0.00 N ATOM 1346 CA SER A 83 -4.034 -0.986 -7.882 1.00 0.00 C ATOM 1347 C SER A 83 -4.890 0.268 -7.744 1.00 0.00 C ATOM 1348 O SER A 83 -5.331 0.856 -8.731 1.00 0.00 O ATOM 1349 CB SER A 83 -4.396 -1.724 -9.166 1.00 0.00 C ATOM 1350 OG SER A 83 -4.432 -0.841 -10.272 1.00 0.00 O ATOM 0 H SER A 83 -4.955 -2.522 -6.790 1.00 0.00 H new ATOM 0 HA SER A 83 -2.984 -0.698 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.668 -2.514 -9.352 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.367 -2.206 -9.050 1.00 0.00 H new ATOM 0 HG SER A 83 -5.016 -0.082 -10.066 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.095 0.668 -6.504 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.868 1.851 -6.170 1.00 0.00 C ATOM 1358 C ASN A 84 -5.203 2.495 -4.977 1.00 0.00 C ATOM 1359 O ASN A 84 -4.943 3.698 -4.955 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.319 1.487 -5.848 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.297 2.551 -6.306 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.567 2.692 -7.498 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.834 3.308 -5.356 1.00 0.00 N ATOM 0 H ASN A 84 -4.726 0.176 -5.690 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.895 2.538 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.568 0.539 -6.326 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.424 1.340 -4.773 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.499 4.041 -5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.582 3.156 -4.379 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.871 1.652 -4.007 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.167 2.094 -2.828 1.00 0.00 C ATOM 1372 C LEU A 85 -2.749 2.485 -3.231 1.00 0.00 C ATOM 1373 O LEU A 85 -2.064 3.206 -2.506 1.00 0.00 O ATOM 1374 CB LEU A 85 -4.135 0.981 -1.774 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.204 1.234 -0.586 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.781 2.304 0.327 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.964 -0.055 0.186 1.00 0.00 C ATOM 0 H LEU A 85 -5.083 0.654 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.679 2.952 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.147 0.831 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.835 0.052 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.247 1.590 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.105 2.470 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.901 3.232 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.751 1.978 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.300 0.143 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.914 -0.440 0.556 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.506 -0.793 -0.472 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.313 2.005 -4.407 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.983 2.316 -4.897 1.00 0.00 C ATOM 1391 C ILE A 86 -0.884 3.790 -5.285 1.00 0.00 C ATOM 1392 O ILE A 86 0.046 4.488 -4.880 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.592 1.414 -6.099 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.489 0.419 -5.676 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.114 2.236 -7.291 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.005 -0.632 -4.710 1.00 0.00 C ATOM 0 H ILE A 86 -2.864 1.407 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.280 2.117 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.483 0.870 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.887 -0.073 -6.564 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.314 0.964 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.150 1.568 -8.111 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.910 2.908 -7.612 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.760 2.820 -7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.814 -1.304 -4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.376 -0.149 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.810 -1.202 -5.173 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.851 4.254 -6.069 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.875 5.644 -6.508 1.00 0.00 C ATOM 1410 C ASN A 87 -2.108 6.576 -5.325 1.00 0.00 C ATOM 1411 O ASN A 87 -1.547 7.670 -5.264 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.966 5.850 -7.560 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.464 5.607 -8.970 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.461 4.921 -9.174 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.160 6.169 -9.951 1.00 0.00 N ATOM 0 H ASN A 87 -2.627 3.689 -6.413 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.908 5.880 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.798 5.177 -7.353 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.352 6.867 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.870 6.040 -10.920 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.985 6.729 -9.735 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.937 6.133 -4.387 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.246 6.924 -3.202 1.00 0.00 C ATOM 1424 C LEU A 88 -2.024 7.044 -2.299 1.00 0.00 C ATOM 1425 O LEU A 88 -1.805 8.081 -1.672 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.409 6.294 -2.432 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.521 7.265 -2.032 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.874 6.569 -2.058 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.247 7.849 -0.655 1.00 0.00 C ATOM 0 H LEU A 88 -3.408 5.229 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.536 7.924 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.842 5.501 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.016 5.824 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.542 8.081 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.652 7.276 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.073 6.199 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.867 5.733 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.048 8.538 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.199 7.044 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.298 8.384 -0.669 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.227 5.983 -2.239 1.00 0.00 N ATOM 1442 CA LEU A 89 -0.027 5.983 -1.412 1.00 0.00 C ATOM 1443 C LEU A 89 1.027 6.913 -2.001 1.00 0.00 C ATOM 1444 O LEU A 89 1.804 7.531 -1.273 1.00 0.00 O ATOM 1445 CB LEU A 89 0.531 4.565 -1.283 1.00 0.00 C ATOM 1446 CG LEU A 89 0.435 3.968 0.120 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.399 2.448 0.053 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.599 4.441 0.977 1.00 0.00 C ATOM 0 H LEU A 89 -1.389 5.116 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.293 6.345 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.001 3.915 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.577 4.571 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.492 4.310 0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.331 2.041 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.468 2.130 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.308 2.083 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.517 4.007 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.538 4.127 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.578 5.528 1.052 1.00 0.00 H new ATOM 1460 N ALA A 90 1.041 7.010 -3.324 1.00 0.00 N ATOM 1461 CA ALA A 90 1.993 7.868 -4.018 1.00 0.00 C ATOM 1462 C ALA A 90 1.314 9.126 -4.553 1.00 0.00 C ATOM 1463 O ALA A 90 1.818 9.769 -5.473 1.00 0.00 O ATOM 1464 CB ALA A 90 2.662 7.105 -5.152 1.00 0.00 C ATOM 0 H ALA A 90 0.403 6.505 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 90 2.755 8.176 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.370 7.758 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.190 6.242 -4.748 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.905 6.768 -5.860 1.00 0.00 H new ATOM 1470 N GLU A 91 0.169 9.473 -3.971 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.573 10.656 -4.393 1.00 0.00 C ATOM 1472 C GLU A 91 -0.060 11.899 -3.674 1.00 0.00 C ATOM 1473 O GLU A 91 0.042 12.973 -4.266 1.00 0.00 O ATOM 1474 CB GLU A 91 -2.067 10.475 -4.118 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.913 11.666 -4.537 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.659 11.425 -5.834 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.497 10.501 -5.874 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.404 12.160 -6.812 1.00 0.00 O ATOM 0 H GLU A 91 -0.264 8.953 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.423 10.786 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.419 9.587 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.212 10.294 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.629 11.894 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.272 12.541 -4.648 1.00 0.00 H new ATOM 1485 N ASN A 92 0.260 11.743 -2.394 1.00 0.00 N ATOM 1486 CA ASN A 92 0.762 12.852 -1.592 1.00 0.00 C ATOM 1487 C ASN A 92 2.233 12.651 -1.241 1.00 0.00 C ATOM 1488 O ASN A 92 2.975 13.616 -1.058 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.067 13.000 -0.315 1.00 0.00 C ATOM 1490 CG ASN A 92 -0.476 14.436 -0.054 1.00 0.00 C ATOM 1491 OD1 ASN A 92 0.365 15.334 -0.004 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -1.774 14.661 0.115 1.00 0.00 N ATOM 0 H ASN A 92 0.181 10.860 -1.890 1.00 0.00 H new ATOM 0 HA ASN A 92 0.673 13.764 -2.182 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.960 12.379 -0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.508 12.629 0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.108 15.608 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.436 13.887 0.065 1.00 0.00 H new ATOM 1499 N GLY A 93 2.647 11.392 -1.145 1.00 0.00 N ATOM 1500 CA GLY A 93 4.028 11.088 -0.814 1.00 0.00 C ATOM 1501 C GLY A 93 4.172 10.508 0.579 1.00 0.00 C ATOM 1502 O GLY A 93 5.096 10.859 1.313 1.00 0.00 O ATOM 0 H GLY A 93 2.052 10.577 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.427 10.382 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.626 11.996 -0.891 1.00 0.00 H new ATOM 1506 N ARG A 94 3.255 9.618 0.943 1.00 0.00 N ATOM 1507 CA ARG A 94 3.281 8.987 2.258 1.00 0.00 C ATOM 1508 C ARG A 94 3.950 7.617 2.193 1.00 0.00 C ATOM 1509 O ARG A 94 3.523 6.676 2.859 1.00 0.00 O ATOM 1510 CB ARG A 94 1.858 8.852 2.806 1.00 0.00 C ATOM 1511 CG ARG A 94 1.720 9.301 4.252 1.00 0.00 C ATOM 1512 CD ARG A 94 0.263 9.342 4.688 1.00 0.00 C ATOM 1513 NE ARG A 94 -0.385 10.599 4.319 1.00 0.00 N ATOM 1514 CZ ARG A 94 -1.029 10.797 3.169 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -1.116 9.827 2.267 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -1.589 11.973 2.921 1.00 0.00 N ATOM 0 H ARG A 94 2.485 9.317 0.346 1.00 0.00 H new ATOM 0 HA ARG A 94 3.863 9.620 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.181 9.439 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.543 7.812 2.725 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.275 8.622 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.164 10.289 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.275 8.510 4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.204 9.207 5.768 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.342 11.372 4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.688 8.920 2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.611 9.989 1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.526 12.723 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.083 12.128 2.042 1.00 0.00 H new ATOM 1530 N LEU A 95 5.003 7.516 1.388 1.00 0.00 N ATOM 1531 CA LEU A 95 5.733 6.261 1.242 1.00 0.00 C ATOM 1532 C LEU A 95 6.982 6.256 2.117 1.00 0.00 C ATOM 1533 O LEU A 95 7.983 5.625 1.784 1.00 0.00 O ATOM 1534 CB LEU A 95 6.115 6.033 -0.221 1.00 0.00 C ATOM 1535 CG LEU A 95 5.049 5.331 -1.067 1.00 0.00 C ATOM 1536 CD1 LEU A 95 4.232 6.348 -1.847 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.690 4.324 -2.010 1.00 0.00 C ATOM 0 H LEU A 95 5.369 8.286 0.828 1.00 0.00 H new ATOM 0 HA LEU A 95 5.081 5.450 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.341 6.997 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.030 5.442 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 95 4.379 4.793 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.480 5.831 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.740 7.029 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.890 6.915 -2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.916 3.836 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.385 4.838 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.230 3.575 -1.430 1.00 0.00 H new ATOM 1549 N THR A 96 6.904 6.954 3.243 1.00 0.00 N ATOM 1550 CA THR A 96 8.016 7.025 4.183 1.00 0.00 C ATOM 1551 C THR A 96 7.663 6.262 5.450 1.00 0.00 C ATOM 1552 O THR A 96 8.496 5.566 6.029 1.00 0.00 O ATOM 1553 CB THR A 96 8.342 8.482 4.519 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.424 8.997 5.467 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.318 9.395 3.313 1.00 0.00 C ATOM 0 H THR A 96 6.079 7.481 3.528 1.00 0.00 H new ATOM 0 HA THR A 96 8.895 6.573 3.724 1.00 0.00 H new ATOM 0 HB THR A 96 9.355 8.465 4.921 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.651 9.929 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.558 10.412 3.622 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.053 9.054 2.584 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.326 9.377 2.863 1.00 0.00 H new ATOM 1563 N ASN A 97 6.406 6.389 5.858 1.00 0.00 N ATOM 1564 CA ASN A 97 5.904 5.707 7.040 1.00 0.00 C ATOM 1565 C ASN A 97 4.837 4.694 6.640 1.00 0.00 C ATOM 1566 O ASN A 97 3.906 4.421 7.397 1.00 0.00 O ATOM 1567 CB ASN A 97 5.323 6.717 8.032 1.00 0.00 C ATOM 1568 CG ASN A 97 6.400 7.497 8.759 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.846 7.106 9.838 1.00 0.00 O ATOM 1570 ND2 ASN A 97 6.825 8.609 8.170 1.00 0.00 N ATOM 0 H ASN A 97 5.712 6.964 5.381 1.00 0.00 H new ATOM 0 HA ASN A 97 6.731 5.184 7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.672 7.411 7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.704 6.193 8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.549 9.176 8.612 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.428 8.896 7.275 1.00 0.00 H new ATOM 1577 N THR A 98 4.980 4.148 5.433 1.00 0.00 N ATOM 1578 CA THR A 98 4.028 3.173 4.915 1.00 0.00 C ATOM 1579 C THR A 98 3.902 1.939 5.819 1.00 0.00 C ATOM 1580 O THR A 98 2.827 1.351 5.909 1.00 0.00 O ATOM 1581 CB THR A 98 4.409 2.753 3.490 1.00 0.00 C ATOM 1582 OG1 THR A 98 3.336 2.068 2.870 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.626 1.855 3.416 1.00 0.00 C ATOM 0 H THR A 98 5.747 4.366 4.797 1.00 0.00 H new ATOM 0 HA THR A 98 3.053 3.660 4.897 1.00 0.00 H new ATOM 0 HB THR A 98 4.644 3.685 2.976 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.164 2.459 1.988 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.829 1.603 2.375 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.487 2.373 3.839 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.439 0.942 3.981 1.00 0.00 H new ATOM 1591 N PRO A 99 4.983 1.511 6.504 1.00 0.00 N ATOM 1592 CA PRO A 99 4.924 0.337 7.380 1.00 0.00 C ATOM 1593 C PRO A 99 3.875 0.484 8.477 1.00 0.00 C ATOM 1594 O PRO A 99 3.440 -0.505 9.068 1.00 0.00 O ATOM 1595 CB PRO A 99 6.332 0.258 7.983 1.00 0.00 C ATOM 1596 CG PRO A 99 7.194 1.010 7.028 1.00 0.00 C ATOM 1597 CD PRO A 99 6.330 2.113 6.490 1.00 0.00 C ATOM 0 HA PRO A 99 4.637 -0.561 6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.362 0.702 8.978 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.662 -0.776 8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.076 1.411 7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.548 0.363 6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.380 3.006 7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.630 2.408 5.485 1.00 0.00 H new ATOM 1605 N ALA A 100 3.467 1.721 8.744 1.00 0.00 N ATOM 1606 CA ALA A 100 2.463 1.986 9.766 1.00 0.00 C ATOM 1607 C ALA A 100 1.056 1.773 9.214 1.00 0.00 C ATOM 1608 O ALA A 100 0.142 1.403 9.949 1.00 0.00 O ATOM 1609 CB ALA A 100 2.614 3.400 10.305 1.00 0.00 C ATOM 0 H ALA A 100 3.816 2.553 8.268 1.00 0.00 H new ATOM 0 HA ALA A 100 2.617 1.283 10.585 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.856 3.582 11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.605 3.519 10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.489 4.115 9.492 1.00 0.00 H new ATOM 1615 N VAL A 101 0.891 2.006 7.915 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.406 1.834 7.270 1.00 0.00 C ATOM 1617 C VAL A 101 -0.703 0.358 7.015 1.00 0.00 C ATOM 1618 O VAL A 101 -1.855 -0.024 6.803 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.491 2.617 5.940 1.00 0.00 C ATOM 1620 CG1 VAL A 101 0.465 2.047 4.901 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -1.918 2.622 5.410 1.00 0.00 C ATOM 0 H VAL A 101 1.637 2.313 7.291 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.154 2.234 7.954 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.192 3.646 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.381 2.619 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.487 2.108 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.212 1.005 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.956 3.178 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.245 1.597 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.575 3.095 6.140 1.00 0.00 H new ATOM 1631 N ILE A 102 0.340 -0.471 7.037 1.00 0.00 N ATOM 1632 CA ILE A 102 0.182 -1.902 6.809 1.00 0.00 C ATOM 1633 C ILE A 102 -0.258 -2.623 8.080 1.00 0.00 C ATOM 1634 O ILE A 102 -0.908 -3.667 8.019 1.00 0.00 O ATOM 1635 CB ILE A 102 1.489 -2.538 6.299 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.063 -1.719 5.142 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.246 -3.977 5.868 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.511 -2.038 4.836 1.00 0.00 C ATOM 0 H ILE A 102 1.300 -0.175 7.210 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.591 -2.013 6.048 1.00 0.00 H new ATOM 0 HB ILE A 102 2.215 -2.541 7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.464 -1.897 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.975 -0.659 5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.179 -4.412 5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.878 -4.554 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.506 -3.997 5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.852 -1.420 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.122 -1.833 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.603 -3.090 4.567 1.00 0.00 H new ATOM 1650 N SER A 103 0.101 -2.063 9.231 1.00 0.00 N ATOM 1651 CA SER A 103 -0.258 -2.658 10.514 1.00 0.00 C ATOM 1652 C SER A 103 -1.755 -2.533 10.776 1.00 0.00 C ATOM 1653 O SER A 103 -2.390 -3.471 11.258 1.00 0.00 O ATOM 1654 CB SER A 103 0.528 -1.994 11.646 1.00 0.00 C ATOM 1655 OG SER A 103 0.683 -2.874 12.745 1.00 0.00 O ATOM 0 H SER A 103 0.639 -1.200 9.302 1.00 0.00 H new ATOM 0 HA SER A 103 -0.004 -3.717 10.477 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.508 -1.687 11.281 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.012 -1.090 11.970 1.00 0.00 H new ATOM 0 HG SER A 103 1.320 -2.491 13.384 1.00 0.00 H new ATOM 1661 N ALA A 104 -2.314 -1.370 10.458 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.738 -1.127 10.660 1.00 0.00 C ATOM 1663 C ALA A 104 -4.584 -2.158 9.918 1.00 0.00 C ATOM 1664 O ALA A 104 -5.723 -2.428 10.294 1.00 0.00 O ATOM 1665 CB ALA A 104 -4.101 0.279 10.209 1.00 0.00 C ATOM 0 H ALA A 104 -1.803 -0.582 10.060 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.950 -1.222 11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.167 0.447 10.365 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.530 1.005 10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.867 0.393 9.151 1.00 0.00 H new ATOM 1671 N PHE A 105 -4.014 -2.734 8.863 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.713 -3.737 8.067 1.00 0.00 C ATOM 1673 C PHE A 105 -4.903 -5.020 8.860 1.00 0.00 C ATOM 1674 O PHE A 105 -6.023 -5.501 9.014 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.927 -4.035 6.787 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.774 -4.478 5.624 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.097 -5.815 5.441 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -5.232 -3.553 4.702 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.860 -6.216 4.364 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.996 -3.950 3.624 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.310 -5.283 3.455 1.00 0.00 C ATOM 0 H PHE A 105 -3.070 -2.523 8.540 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.694 -3.340 7.805 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.375 -3.141 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.190 -4.810 7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.747 -6.550 6.150 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.989 -2.508 4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.104 -7.260 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.348 -3.218 2.913 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.908 -5.595 2.611 1.00 0.00 H new ATOM 1691 N SER A 106 -3.803 -5.574 9.355 1.00 0.00 N ATOM 1692 CA SER A 106 -3.854 -6.808 10.127 1.00 0.00 C ATOM 1693 C SER A 106 -4.770 -6.661 11.337 1.00 0.00 C ATOM 1694 O SER A 106 -5.350 -7.640 11.809 1.00 0.00 O ATOM 1695 CB SER A 106 -2.450 -7.213 10.579 1.00 0.00 C ATOM 1696 OG SER A 106 -1.751 -7.876 9.539 1.00 0.00 O ATOM 0 H SER A 106 -2.866 -5.188 9.236 1.00 0.00 H new ATOM 0 HA SER A 106 -4.259 -7.589 9.484 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.894 -6.328 10.888 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.519 -7.866 11.449 1.00 0.00 H new ATOM 0 HG SER A 106 -0.856 -8.123 9.852 1.00 0.00 H new ATOM 1702 N THR A 107 -4.902 -5.436 11.835 1.00 0.00 N ATOM 1703 CA THR A 107 -5.755 -5.178 12.988 1.00 0.00 C ATOM 1704 C THR A 107 -7.219 -5.163 12.579 1.00 0.00 C ATOM 1705 O THR A 107 -8.030 -5.902 13.135 1.00 0.00 O ATOM 1706 CB THR A 107 -5.376 -3.854 13.654 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.003 -3.567 13.452 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.634 -3.839 15.145 1.00 0.00 C ATOM 0 H THR A 107 -4.432 -4.612 11.461 1.00 0.00 H new ATOM 0 HA THR A 107 -5.605 -5.983 13.708 1.00 0.00 H new ATOM 0 HB THR A 107 -6.010 -3.102 13.185 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.780 -2.716 13.884 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.343 -2.872 15.555 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.694 -4.009 15.333 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.050 -4.626 15.623 1.00 0.00 H new ATOM 1716 N MET A 108 -7.554 -4.343 11.588 1.00 0.00 N ATOM 1717 CA MET A 108 -8.927 -4.287 11.112 1.00 0.00 C ATOM 1718 C MET A 108 -9.258 -5.578 10.382 1.00 0.00 C ATOM 1719 O MET A 108 -10.425 -5.932 10.216 1.00 0.00 O ATOM 1720 CB MET A 108 -9.135 -3.092 10.189 1.00 0.00 C ATOM 1721 CG MET A 108 -10.599 -2.782 9.919 1.00 0.00 C ATOM 1722 SD MET A 108 -11.304 -1.652 11.133 1.00 0.00 S ATOM 1723 CE MET A 108 -11.824 -0.302 10.076 1.00 0.00 C ATOM 0 H MET A 108 -6.905 -3.719 11.108 1.00 0.00 H new ATOM 0 HA MET A 108 -9.592 -4.170 11.968 1.00 0.00 H new ATOM 0 HB2 MET A 108 -8.662 -2.215 10.631 1.00 0.00 H new ATOM 0 HB3 MET A 108 -8.631 -3.283 9.241 1.00 0.00 H new ATOM 0 HG2 MET A 108 -10.697 -2.348 8.924 1.00 0.00 H new ATOM 0 HG3 MET A 108 -11.169 -3.711 9.919 1.00 0.00 H new ATOM 0 HE1 MET A 108 -12.507 0.347 10.624 1.00 0.00 H new ATOM 0 HE2 MET A 108 -10.952 0.272 9.763 1.00 0.00 H new ATOM 0 HE3 MET A 108 -12.330 -0.702 9.197 1.00 0.00 H new ATOM 1733 N MET A 109 -8.212 -6.287 9.964 1.00 0.00 N ATOM 1734 CA MET A 109 -8.377 -7.546 9.269 1.00 0.00 C ATOM 1735 C MET A 109 -9.049 -8.554 10.197 1.00 0.00 C ATOM 1736 O MET A 109 -9.914 -9.321 9.777 1.00 0.00 O ATOM 1737 CB MET A 109 -7.011 -8.068 8.788 1.00 0.00 C ATOM 1738 CG MET A 109 -6.835 -9.581 8.872 1.00 0.00 C ATOM 1739 SD MET A 109 -6.081 -10.108 10.422 1.00 0.00 S ATOM 1740 CE MET A 109 -4.938 -11.356 9.836 1.00 0.00 C ATOM 0 H MET A 109 -7.241 -6.004 10.099 1.00 0.00 H new ATOM 0 HA MET A 109 -9.010 -7.399 8.394 1.00 0.00 H new ATOM 0 HB2 MET A 109 -6.863 -7.757 7.754 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.228 -7.593 9.379 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.807 -10.062 8.763 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.218 -9.918 8.039 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.395 -11.777 10.682 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.491 -12.147 9.330 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.232 -10.904 9.140 1.00 0.00 H new ATOM 1750 N SER A 110 -8.646 -8.535 11.468 1.00 0.00 N ATOM 1751 CA SER A 110 -9.216 -9.441 12.458 1.00 0.00 C ATOM 1752 C SER A 110 -10.733 -9.280 12.526 1.00 0.00 C ATOM 1753 O SER A 110 -11.447 -10.189 12.951 1.00 0.00 O ATOM 1754 CB SER A 110 -8.601 -9.182 13.834 1.00 0.00 C ATOM 1755 OG SER A 110 -7.454 -9.987 14.040 1.00 0.00 O ATOM 0 H SER A 110 -7.931 -7.905 11.832 1.00 0.00 H new ATOM 0 HA SER A 110 -8.988 -10.463 12.155 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.331 -8.130 13.923 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.338 -9.389 14.610 1.00 0.00 H new ATOM 0 HG SER A 110 -7.079 -9.801 14.926 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.218 -8.115 12.102 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.645 -7.829 12.111 1.00 0.00 C ATOM 1763 C VAL A 111 -13.355 -8.535 10.957 1.00 0.00 C ATOM 1764 O VAL A 111 -14.443 -9.085 11.132 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.910 -6.312 12.026 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.404 -6.017 12.042 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.205 -5.587 13.164 1.00 0.00 C ATOM 0 H VAL A 111 -10.639 -7.354 11.747 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.042 -8.204 13.054 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.508 -5.947 11.081 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.563 -4.940 11.981 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.880 -6.503 11.190 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.840 -6.396 12.966 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.401 -4.517 13.091 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.577 -5.960 14.118 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.131 -5.764 13.099 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.736 -8.520 9.780 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.318 -9.164 8.607 1.00 0.00 C ATOM 1779 C HIS A 112 -13.222 -10.683 8.722 1.00 0.00 C ATOM 1780 O HIS A 112 -14.097 -11.409 8.250 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.625 -8.681 7.325 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.282 -9.299 7.082 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -10.920 -10.581 6.850 1.00 0.00 N flip ATOM 1784 CD2 HIS A 112 -10.118 -8.572 7.076 1.00 0.00 C flip ATOM 1785 CE1 HIS A 112 -9.556 -10.604 6.718 1.00 0.00 C flip ATOM 1786 NE2 HIS A 112 -9.095 -9.379 6.858 1.00 0.00 N flip ATOM 0 H HIS A 112 -11.835 -8.071 9.614 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.371 -8.888 8.556 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.271 -8.896 6.473 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.511 -7.598 7.373 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -11.547 -11.383 6.785 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.049 -7.505 7.226 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.957 -11.483 6.530 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.152 -11.153 9.355 1.00 0.00 N ATOM 1796 CA ARG A 113 -11.938 -12.584 9.536 1.00 0.00 C ATOM 1797 C ARG A 113 -12.851 -13.138 10.625 1.00 0.00 C ATOM 1798 O ARG A 113 -13.219 -14.313 10.602 1.00 0.00 O ATOM 1799 CB ARG A 113 -10.476 -12.860 9.892 1.00 0.00 C ATOM 1800 CG ARG A 113 -9.936 -14.146 9.286 1.00 0.00 C ATOM 1801 CD ARG A 113 -8.470 -14.011 8.908 1.00 0.00 C ATOM 1802 NE ARG A 113 -7.893 -15.285 8.487 1.00 0.00 N ATOM 1803 CZ ARG A 113 -7.507 -16.239 9.330 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -7.633 -16.067 10.641 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -6.993 -17.369 8.864 1.00 0.00 N ATOM 0 H ARG A 113 -11.420 -10.564 9.751 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.178 -13.083 8.597 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.864 -12.024 9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.378 -12.909 10.976 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.056 -14.963 9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.518 -14.405 8.402 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.369 -13.284 8.102 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.910 -13.623 9.759 1.00 0.00 H new ATOM 0 HE ARG A 113 -7.779 -15.453 7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.027 -15.200 11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.335 -16.802 11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.893 -17.507 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -6.697 -18.100 9.511 1.00 0.00 H new