USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=26 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 106 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 51 MET CE :methyl -125:sc= -5.27! (180deg=-4.79!) USER MOD Set 3.2: A 65 LYS NZ :NH3+ -153:sc= -0.0548 (180deg=-0.543) USER MOD Set 3.3: A 68 SER OG : rot -28:sc= 0.541 USER MOD Set 3.4: A 72 MET CE :methyl -176:sc= -3.82! (180deg=-4.23!) USER MOD Set 4.1: A 23 TYR OH : rot 147:sc= -1.38! USER MOD Set 4.2: A 27 SER OG : rot -130:sc= -2.35 USER MOD Set 4.3: A 112 HIS :FLIP no HE2:sc= -16! C(o=-21!,f=-20!) USER MOD Set 5.1: A 18 TYR OH : rot 0:sc= -2.33 USER MOD Set 5.2: A 92 ASN : amide:sc= -2.5 K(o=-4.8,f=-8.6!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.783 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.026) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -4.6 K(o=-4.6,f=-5.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) 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 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.792 K(o=-0.79,f=-2.5!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 73 THR OG1 : rot 58:sc= -5.02! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 60:sc= 1.07 USER MOD Single : A 82 THR OG1 : rot -81:sc= -1.99! USER MOD Single : A 83 SER OG : rot -63:sc= 1.16 USER MOD Single : A 84 ASN : amide:sc= -0.183 K(o=-0.18,f=-0.83) USER MOD Single : A 87 ASN : amide:sc= -5.18! C(o=-5.2!,f=-9!) USER MOD Single : A 96 THR OG1 : rot 94:sc= -0.116 USER MOD Single : A 97 ASN : amide:sc= -2.68 K(o=-2.7,f=-8.2!) USER MOD Single : A 98 THR OG1 : rot -120:sc= -0.87 USER MOD Single : A 103 SER OG : rot 73:sc= 1.01 USER MOD Single : A 108 MET CE :methyl -108:sc= -0.333 (180deg=-1.65) USER MOD Single : A 110 SER OG : rot 23:sc= 0.162 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -3.749 3.637 14.880 1.00 0.00 N ATOM 194 CA TYR A 12 -2.961 4.745 15.421 1.00 0.00 C ATOM 195 C TYR A 12 -2.385 5.596 14.296 1.00 0.00 C ATOM 196 O TYR A 12 -1.268 5.356 13.835 1.00 0.00 O ATOM 197 CB TYR A 12 -1.826 4.186 16.290 1.00 0.00 C ATOM 198 CG TYR A 12 -1.705 2.682 16.185 1.00 0.00 C ATOM 199 CD1 TYR A 12 -2.615 1.858 16.828 1.00 0.00 C ATOM 200 CD2 TYR A 12 -0.719 2.091 15.408 1.00 0.00 C ATOM 201 CE1 TYR A 12 -2.550 0.490 16.706 1.00 0.00 C ATOM 202 CE2 TYR A 12 -0.640 0.718 15.284 1.00 0.00 C ATOM 203 CZ TYR A 12 -1.559 -0.080 15.935 1.00 0.00 C ATOM 204 OH TYR A 12 -1.489 -1.449 15.809 1.00 0.00 O ATOM 0 HA TYR A 12 -3.610 5.376 16.028 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.884 4.645 15.991 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.999 4.462 17.330 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.390 2.299 17.437 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.003 2.714 14.893 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.271 -0.135 17.211 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.137 0.271 14.681 1.00 0.00 H new ATOM 0 HH TYR A 12 -0.734 -1.686 15.231 1.00 0.00 H new ATOM 214 N GLY A 13 -3.151 6.586 13.848 1.00 0.00 N ATOM 215 CA GLY A 13 -2.693 7.441 12.777 1.00 0.00 C ATOM 216 C GLY A 13 -3.516 7.263 11.521 1.00 0.00 C ATOM 217 O GLY A 13 -3.556 6.175 10.950 1.00 0.00 O ATOM 0 H GLY A 13 -4.079 6.808 14.209 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.741 8.482 13.098 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.648 7.222 12.560 1.00 0.00 H new ATOM 221 N ILE A 14 -4.176 8.334 11.098 1.00 0.00 N ATOM 222 CA ILE A 14 -5.016 8.312 9.898 1.00 0.00 C ATOM 223 C ILE A 14 -4.401 7.459 8.787 1.00 0.00 C ATOM 224 O ILE A 14 -5.118 6.836 8.002 1.00 0.00 O ATOM 225 CB ILE A 14 -5.257 9.739 9.362 1.00 0.00 C ATOM 226 CG1 ILE A 14 -6.235 9.711 8.185 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.941 10.384 8.950 1.00 0.00 C ATOM 228 CD1 ILE A 14 -7.593 9.146 8.541 1.00 0.00 C ATOM 0 H ILE A 14 -4.148 9.238 11.570 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.967 7.869 10.193 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.697 10.337 10.160 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.361 10.724 7.803 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.804 9.118 7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.131 11.390 8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.276 10.438 9.812 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.472 9.787 8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.234 9.157 7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.479 8.121 8.895 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.045 9.753 9.326 1.00 0.00 H new ATOM 240 N GLU A 15 -3.072 7.431 8.727 1.00 0.00 N ATOM 241 CA GLU A 15 -2.367 6.652 7.715 1.00 0.00 C ATOM 242 C GLU A 15 -2.780 5.182 7.772 1.00 0.00 C ATOM 243 O GLU A 15 -2.873 4.515 6.743 1.00 0.00 O ATOM 244 CB GLU A 15 -0.854 6.779 7.906 1.00 0.00 C ATOM 245 CG GLU A 15 -0.215 7.832 7.013 1.00 0.00 C ATOM 246 CD GLU A 15 0.595 8.847 7.795 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.208 8.462 8.813 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.615 10.029 7.391 1.00 0.00 O ATOM 0 H GLU A 15 -2.462 7.939 9.368 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.636 7.047 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.647 7.023 8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.388 5.814 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.430 7.342 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.994 8.349 6.452 1.00 0.00 H new ATOM 255 N GLY A 16 -3.031 4.687 8.978 1.00 0.00 N ATOM 256 CA GLY A 16 -3.437 3.303 9.138 1.00 0.00 C ATOM 257 C GLY A 16 -4.836 3.054 8.611 1.00 0.00 C ATOM 258 O GLY A 16 -5.111 2.002 8.035 1.00 0.00 O ATOM 0 H GLY A 16 -2.961 5.218 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.733 2.656 8.615 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.394 3.033 10.193 1.00 0.00 H new ATOM 262 N ARG A 17 -5.719 4.028 8.803 1.00 0.00 N ATOM 263 CA ARG A 17 -7.095 3.912 8.336 1.00 0.00 C ATOM 264 C ARG A 17 -7.142 3.874 6.814 1.00 0.00 C ATOM 265 O ARG A 17 -8.020 3.243 6.231 1.00 0.00 O ATOM 266 CB ARG A 17 -7.937 5.079 8.857 1.00 0.00 C ATOM 267 CG ARG A 17 -9.390 4.714 9.112 1.00 0.00 C ATOM 268 CD ARG A 17 -9.617 4.307 10.559 1.00 0.00 C ATOM 269 NE ARG A 17 -11.039 4.186 10.876 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.810 3.187 10.454 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.303 2.221 9.699 1.00 0.00 N ATOM 272 NH2 ARG A 17 -13.092 3.153 10.789 1.00 0.00 N ATOM 0 H ARG A 17 -5.507 4.905 9.278 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.509 2.980 8.722 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.496 5.449 9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.897 5.895 8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.028 5.563 8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.682 3.896 8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.120 3.356 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.160 5.044 11.219 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.465 4.910 11.455 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.317 2.241 9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.899 1.458 9.379 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.487 3.892 11.370 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.683 2.387 10.466 1.00 0.00 H new ATOM 286 N TYR A 18 -6.183 4.544 6.174 1.00 0.00 N ATOM 287 CA TYR A 18 -6.110 4.570 4.716 1.00 0.00 C ATOM 288 C TYR A 18 -6.293 3.170 4.152 1.00 0.00 C ATOM 289 O TYR A 18 -6.932 2.978 3.118 1.00 0.00 O ATOM 290 CB TYR A 18 -4.762 5.134 4.266 1.00 0.00 C ATOM 291 CG TYR A 18 -4.847 6.512 3.660 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.457 7.553 4.341 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.310 6.770 2.407 1.00 0.00 C ATOM 294 CE1 TYR A 18 -5.532 8.817 3.791 1.00 0.00 C ATOM 295 CE2 TYR A 18 -4.377 8.030 1.848 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.990 9.052 2.544 1.00 0.00 C ATOM 297 OH TYR A 18 -5.061 10.310 1.992 1.00 0.00 O ATOM 0 H TYR A 18 -5.448 5.074 6.643 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.909 5.210 4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.088 5.166 5.122 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.320 4.454 3.538 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.881 7.373 5.318 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.831 5.971 1.860 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.012 9.618 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.953 8.215 0.872 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.524 10.913 2.611 1.00 0.00 H new ATOM 307 N ALA A 19 -5.728 2.196 4.850 1.00 0.00 N ATOM 308 CA ALA A 19 -5.824 0.808 4.438 1.00 0.00 C ATOM 309 C ALA A 19 -7.219 0.268 4.708 1.00 0.00 C ATOM 310 O ALA A 19 -7.793 -0.427 3.874 1.00 0.00 O ATOM 311 CB ALA A 19 -4.774 -0.030 5.150 1.00 0.00 C ATOM 0 H ALA A 19 -5.197 2.345 5.708 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.638 0.750 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.859 -1.069 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.781 0.345 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.928 0.032 6.227 1.00 0.00 H new ATOM 317 N THR A 20 -7.765 0.595 5.872 1.00 0.00 N ATOM 318 CA THR A 20 -9.099 0.136 6.227 1.00 0.00 C ATOM 319 C THR A 20 -10.153 0.841 5.386 1.00 0.00 C ATOM 320 O THR A 20 -11.236 0.303 5.157 1.00 0.00 O ATOM 321 CB THR A 20 -9.376 0.336 7.715 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.242 0.873 8.373 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.749 -0.952 8.412 1.00 0.00 C ATOM 0 H THR A 20 -7.309 1.171 6.580 1.00 0.00 H new ATOM 0 HA THR A 20 -9.149 -0.933 6.018 1.00 0.00 H new ATOM 0 HB THR A 20 -10.217 1.027 7.771 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.443 0.994 9.325 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.936 -0.754 9.467 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.649 -1.365 7.956 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.932 -1.667 8.316 1.00 0.00 H new ATOM 331 N ALA A 21 -9.829 2.038 4.908 1.00 0.00 N ATOM 332 CA ALA A 21 -10.754 2.788 4.075 1.00 0.00 C ATOM 333 C ALA A 21 -10.551 2.448 2.604 1.00 0.00 C ATOM 334 O ALA A 21 -11.224 2.996 1.730 1.00 0.00 O ATOM 335 CB ALA A 21 -10.599 4.283 4.310 1.00 0.00 C ATOM 0 H ALA A 21 -8.939 2.504 5.083 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.769 2.504 4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.301 4.826 3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.804 4.510 5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.581 4.586 4.066 1.00 0.00 H new ATOM 341 N LEU A 22 -9.640 1.516 2.340 1.00 0.00 N ATOM 342 CA LEU A 22 -9.370 1.073 0.980 1.00 0.00 C ATOM 343 C LEU A 22 -9.670 -0.402 0.889 1.00 0.00 C ATOM 344 O LEU A 22 -10.257 -0.876 -0.083 1.00 0.00 O ATOM 345 CB LEU A 22 -7.918 1.356 0.587 1.00 0.00 C ATOM 346 CG LEU A 22 -7.537 0.962 -0.843 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.307 -0.539 -0.939 1.00 0.00 C ATOM 348 CD2 LEU A 22 -8.611 1.403 -1.828 1.00 0.00 C ATOM 0 H LEU A 22 -9.076 1.053 3.053 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.005 1.623 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.725 2.421 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.262 0.827 1.279 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.608 1.470 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.037 -0.801 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.500 -0.827 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.219 -1.066 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.320 1.113 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.557 0.926 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.726 2.486 -1.780 1.00 0.00 H new ATOM 360 N TYR A 23 -9.307 -1.113 1.939 1.00 0.00 N ATOM 361 CA TYR A 23 -9.580 -2.520 2.013 1.00 0.00 C ATOM 362 C TYR A 23 -11.029 -2.720 2.449 1.00 0.00 C ATOM 363 O TYR A 23 -11.597 -3.786 2.246 1.00 0.00 O ATOM 364 CB TYR A 23 -8.597 -3.211 2.966 1.00 0.00 C ATOM 365 CG TYR A 23 -9.242 -3.863 4.164 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.006 -5.006 4.016 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.090 -3.334 5.434 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.610 -5.609 5.097 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.685 -3.922 6.523 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.449 -5.062 6.355 1.00 0.00 C ATOM 371 OH TYR A 23 -11.044 -5.652 7.444 1.00 0.00 O ATOM 0 H TYR A 23 -8.821 -0.731 2.750 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.445 -2.977 1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.043 -3.968 2.411 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.871 -2.476 3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.132 -5.435 3.033 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.494 -2.444 5.571 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.204 -6.501 4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.557 -3.496 7.507 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.476 -5.529 8.233 1.00 0.00 H new ATOM 381 N SER A 24 -11.641 -1.672 3.027 1.00 0.00 N ATOM 382 CA SER A 24 -13.036 -1.757 3.446 1.00 0.00 C ATOM 383 C SER A 24 -13.863 -2.310 2.295 1.00 0.00 C ATOM 384 O SER A 24 -14.773 -3.116 2.491 1.00 0.00 O ATOM 385 CB SER A 24 -13.556 -0.383 3.877 1.00 0.00 C ATOM 386 OG SER A 24 -14.949 -0.263 3.645 1.00 0.00 O ATOM 0 H SER A 24 -11.194 -0.773 3.209 1.00 0.00 H new ATOM 0 HA SER A 24 -13.118 -2.424 4.304 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.347 -0.228 4.936 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.026 0.397 3.330 1.00 0.00 H new ATOM 0 HG SER A 24 -15.253 0.624 3.931 1.00 0.00 H new ATOM 392 N ALA A 25 -13.494 -1.903 1.083 1.00 0.00 N ATOM 393 CA ALA A 25 -14.149 -2.387 -0.118 1.00 0.00 C ATOM 394 C ALA A 25 -13.638 -3.786 -0.409 1.00 0.00 C ATOM 395 O ALA A 25 -14.393 -4.675 -0.805 1.00 0.00 O ATOM 396 CB ALA A 25 -13.882 -1.457 -1.291 1.00 0.00 C ATOM 0 H ALA A 25 -12.741 -1.236 0.912 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.228 -2.413 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.383 -1.840 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.263 -0.462 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.809 -1.402 -1.474 1.00 0.00 H new ATOM 402 N ALA A 26 -12.341 -3.975 -0.177 1.00 0.00 N ATOM 403 CA ALA A 26 -11.704 -5.272 -0.378 1.00 0.00 C ATOM 404 C ALA A 26 -12.354 -6.329 0.510 1.00 0.00 C ATOM 405 O ALA A 26 -12.584 -7.461 0.083 1.00 0.00 O ATOM 406 CB ALA A 26 -10.217 -5.178 -0.077 1.00 0.00 C ATOM 0 H ALA A 26 -11.710 -3.244 0.151 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.835 -5.565 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.752 -6.152 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.757 -4.447 -0.742 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.074 -4.867 0.958 1.00 0.00 H new ATOM 412 N SER A 27 -12.652 -5.945 1.749 1.00 0.00 N ATOM 413 CA SER A 27 -13.281 -6.843 2.709 1.00 0.00 C ATOM 414 C SER A 27 -14.575 -7.408 2.138 1.00 0.00 C ATOM 415 O SER A 27 -14.814 -8.614 2.188 1.00 0.00 O ATOM 416 CB SER A 27 -13.570 -6.099 4.015 1.00 0.00 C ATOM 417 OG SER A 27 -13.383 -6.945 5.136 1.00 0.00 O ATOM 0 H SER A 27 -12.465 -5.010 2.112 1.00 0.00 H new ATOM 0 HA SER A 27 -12.597 -7.667 2.912 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.914 -5.232 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.594 -5.724 4.005 1.00 0.00 H new ATOM 0 HG SER A 27 -14.168 -6.892 5.721 1.00 0.00 H new ATOM 423 N LYS A 28 -15.405 -6.526 1.581 1.00 0.00 N ATOM 424 CA LYS A 28 -16.670 -6.938 0.984 1.00 0.00 C ATOM 425 C LYS A 28 -16.436 -8.081 0.005 1.00 0.00 C ATOM 426 O LYS A 28 -17.243 -9.004 -0.098 1.00 0.00 O ATOM 427 CB LYS A 28 -17.332 -5.760 0.266 1.00 0.00 C ATOM 428 CG LYS A 28 -17.922 -4.727 1.211 1.00 0.00 C ATOM 429 CD LYS A 28 -18.549 -3.570 0.450 1.00 0.00 C ATOM 430 CE LYS A 28 -19.249 -2.599 1.388 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.658 -3.000 1.652 1.00 0.00 N ATOM 0 H LYS A 28 -15.222 -5.524 1.532 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.335 -7.279 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.596 -5.275 -0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.121 -6.138 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.674 -5.198 1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.142 -4.349 1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.778 -3.043 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.265 -3.956 -0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.704 -2.548 2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.231 -1.599 0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.100 -2.313 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -21.186 -3.024 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.674 -3.943 2.089 1.00 0.00 H new ATOM 445 N GLN A 29 -15.306 -8.018 -0.692 1.00 0.00 N ATOM 446 CA GLN A 29 -14.939 -9.052 -1.646 1.00 0.00 C ATOM 447 C GLN A 29 -14.299 -10.223 -0.912 1.00 0.00 C ATOM 448 O GLN A 29 -14.541 -11.383 -1.244 1.00 0.00 O ATOM 449 CB GLN A 29 -13.973 -8.495 -2.694 1.00 0.00 C ATOM 450 CG GLN A 29 -14.139 -9.123 -4.068 1.00 0.00 C ATOM 451 CD GLN A 29 -15.236 -8.463 -4.881 1.00 0.00 C ATOM 452 OE1 GLN A 29 -16.158 -9.127 -5.355 1.00 0.00 O ATOM 453 NE2 GLN A 29 -15.140 -7.149 -5.047 1.00 0.00 N ATOM 0 H GLN A 29 -14.629 -7.259 -0.612 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.838 -9.397 -2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.120 -7.418 -2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.950 -8.652 -2.353 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.197 -9.053 -4.612 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.364 -10.183 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.358 -6.639 -4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.848 -6.650 -5.586 1.00 0.00 H new ATOM 462 N ASN A 30 -13.479 -9.898 0.093 1.00 0.00 N ATOM 463 CA ASN A 30 -12.787 -10.904 0.900 1.00 0.00 C ATOM 464 C ASN A 30 -11.453 -11.258 0.269 1.00 0.00 C ATOM 465 O ASN A 30 -10.986 -12.393 0.363 1.00 0.00 O ATOM 466 CB ASN A 30 -13.640 -12.166 1.076 1.00 0.00 C ATOM 467 CG ASN A 30 -13.434 -12.818 2.429 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.877 -12.302 3.454 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.756 -13.961 2.439 1.00 0.00 N ATOM 0 H ASN A 30 -13.278 -8.936 0.367 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.613 -10.477 1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.693 -11.910 0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.394 -12.880 0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.586 -14.445 3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.406 -14.354 1.565 1.00 0.00 H new ATOM 476 N LYS A 31 -10.843 -10.272 -0.374 1.00 0.00 N ATOM 477 CA LYS A 31 -9.560 -10.469 -1.022 1.00 0.00 C ATOM 478 C LYS A 31 -8.432 -9.876 -0.189 1.00 0.00 C ATOM 479 O LYS A 31 -7.377 -9.534 -0.718 1.00 0.00 O ATOM 480 CB LYS A 31 -9.570 -9.849 -2.420 1.00 0.00 C ATOM 481 CG LYS A 31 -9.855 -10.851 -3.526 1.00 0.00 C ATOM 482 CD LYS A 31 -9.453 -10.307 -4.888 1.00 0.00 C ATOM 483 CE LYS A 31 -10.255 -10.955 -6.006 1.00 0.00 C ATOM 484 NZ LYS A 31 -9.464 -11.069 -7.262 1.00 0.00 N ATOM 0 H LYS A 31 -11.219 -9.328 -0.459 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.387 -11.541 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.321 -9.060 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.605 -9.378 -2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.314 -11.776 -3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.917 -11.097 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.604 -9.228 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.390 -10.483 -5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.581 -11.946 -5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.154 -10.368 -6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.046 -11.516 -7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.174 -10.121 -7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.619 -11.650 -7.089 1.00 0.00 H new ATOM 498 N LEU A 32 -8.650 -9.769 1.125 1.00 0.00 N ATOM 499 CA LEU A 32 -7.637 -9.237 2.024 1.00 0.00 C ATOM 500 C LEU A 32 -6.280 -9.883 1.765 1.00 0.00 C ATOM 501 O LEU A 32 -5.245 -9.298 2.061 1.00 0.00 O ATOM 502 CB LEU A 32 -8.083 -9.459 3.464 1.00 0.00 C ATOM 503 CG LEU A 32 -9.038 -8.391 4.002 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.258 -7.348 4.786 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.824 -7.740 2.868 1.00 0.00 C ATOM 0 H LEU A 32 -9.519 -10.045 1.583 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.524 -8.168 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.569 -10.432 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.201 -9.495 4.103 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.755 -8.869 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.944 -6.591 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.747 -7.827 5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.523 -6.877 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.495 -6.985 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.132 -7.270 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.407 -8.499 2.347 1.00 0.00 H new ATOM 517 N GLU A 33 -6.288 -11.080 1.191 1.00 0.00 N ATOM 518 CA GLU A 33 -5.045 -11.773 0.874 1.00 0.00 C ATOM 519 C GLU A 33 -4.390 -11.136 -0.350 1.00 0.00 C ATOM 520 O GLU A 33 -3.164 -11.080 -0.456 1.00 0.00 O ATOM 521 CB GLU A 33 -5.307 -13.258 0.619 1.00 0.00 C ATOM 522 CG GLU A 33 -4.043 -14.102 0.590 1.00 0.00 C ATOM 523 CD GLU A 33 -4.309 -15.560 0.912 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.328 -15.846 1.574 1.00 0.00 O ATOM 525 OE2 GLU A 33 -3.498 -16.417 0.501 1.00 0.00 O ATOM 0 H GLU A 33 -7.135 -11.588 0.937 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.370 -11.684 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.971 -13.640 1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.830 -13.368 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.584 -14.029 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.326 -13.700 1.306 1.00 0.00 H new ATOM 532 N GLN A 34 -5.223 -10.643 -1.264 1.00 0.00 N ATOM 533 CA GLN A 34 -4.743 -9.990 -2.478 1.00 0.00 C ATOM 534 C GLN A 34 -4.480 -8.506 -2.232 1.00 0.00 C ATOM 535 O GLN A 34 -3.905 -7.822 -3.077 1.00 0.00 O ATOM 536 CB GLN A 34 -5.758 -10.162 -3.612 1.00 0.00 C ATOM 537 CG GLN A 34 -5.312 -11.148 -4.680 1.00 0.00 C ATOM 538 CD GLN A 34 -4.663 -10.468 -5.870 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.974 -10.774 -7.020 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.753 -9.538 -5.598 1.00 0.00 N ATOM 0 H GLN A 34 -6.239 -10.684 -1.185 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.804 -10.462 -2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.706 -10.497 -3.192 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.940 -9.193 -4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.608 -11.857 -4.243 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.173 -11.723 -5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.525 -9.315 -4.629 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.283 -9.047 -6.358 1.00 0.00 H new ATOM 549 N VAL A 35 -4.907 -8.012 -1.072 1.00 0.00 N ATOM 550 CA VAL A 35 -4.715 -6.610 -0.722 1.00 0.00 C ATOM 551 C VAL A 35 -3.734 -6.465 0.440 1.00 0.00 C ATOM 552 O VAL A 35 -2.964 -5.507 0.497 1.00 0.00 O ATOM 553 CB VAL A 35 -6.047 -5.927 -0.335 1.00 0.00 C ATOM 554 CG1 VAL A 35 -6.027 -4.461 -0.735 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.242 -6.640 -0.965 1.00 0.00 C ATOM 0 H VAL A 35 -5.388 -8.563 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.311 -6.121 -1.609 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.155 -5.993 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.972 -3.995 -0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.208 -3.956 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.887 -4.380 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.163 -6.135 -0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.146 -6.621 -2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.271 -7.674 -0.622 1.00 0.00 H new ATOM 565 N GLU A 36 -3.759 -7.429 1.358 1.00 0.00 N ATOM 566 CA GLU A 36 -2.863 -7.411 2.511 1.00 0.00 C ATOM 567 C GLU A 36 -1.466 -7.808 2.077 1.00 0.00 C ATOM 568 O GLU A 36 -0.494 -7.099 2.342 1.00 0.00 O ATOM 569 CB GLU A 36 -3.356 -8.358 3.608 1.00 0.00 C ATOM 570 CG GLU A 36 -2.608 -8.208 4.922 1.00 0.00 C ATOM 571 CD GLU A 36 -1.308 -8.989 4.946 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.282 -8.448 4.484 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.317 -10.142 5.425 1.00 0.00 O ATOM 0 H GLU A 36 -4.389 -8.231 1.326 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.847 -6.400 2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.417 -8.179 3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.259 -9.386 3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.397 -7.153 5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.245 -8.546 5.739 1.00 0.00 H new ATOM 580 N LYS A 37 -1.374 -8.932 1.374 1.00 0.00 N ATOM 581 CA LYS A 37 -0.095 -9.397 0.866 1.00 0.00 C ATOM 582 C LYS A 37 0.452 -8.351 -0.087 1.00 0.00 C ATOM 583 O LYS A 37 1.663 -8.182 -0.226 1.00 0.00 O ATOM 584 CB LYS A 37 -0.248 -10.743 0.156 1.00 0.00 C ATOM 585 CG LYS A 37 -0.770 -11.851 1.056 1.00 0.00 C ATOM 586 CD LYS A 37 -0.689 -13.207 0.374 1.00 0.00 C ATOM 587 CE LYS A 37 -0.842 -14.342 1.373 1.00 0.00 C ATOM 588 NZ LYS A 37 0.477 -14.869 1.822 1.00 0.00 N ATOM 0 H LYS A 37 -2.166 -9.532 1.146 1.00 0.00 H new ATOM 0 HA LYS A 37 0.597 -9.542 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.926 -10.623 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.718 -11.042 -0.250 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.193 -11.872 1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.804 -11.642 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.468 -13.281 -0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.267 -13.300 -0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.406 -13.991 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.420 -15.148 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.329 -15.641 2.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.005 -15.227 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.019 -14.107 2.277 1.00 0.00 H new ATOM 602 N GLU A 38 -0.470 -7.626 -0.719 1.00 0.00 N ATOM 603 CA GLU A 38 -0.113 -6.565 -1.634 1.00 0.00 C ATOM 604 C GLU A 38 -0.027 -5.233 -0.888 1.00 0.00 C ATOM 605 O GLU A 38 -0.012 -4.166 -1.493 1.00 0.00 O ATOM 606 CB GLU A 38 -1.146 -6.490 -2.755 1.00 0.00 C ATOM 607 CG GLU A 38 -0.827 -7.386 -3.939 1.00 0.00 C ATOM 608 CD GLU A 38 -0.827 -8.857 -3.573 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.177 -9.326 -2.997 1.00 0.00 O ATOM 610 OE2 GLU A 38 -1.832 -9.541 -3.861 1.00 0.00 O ATOM 0 H GLU A 38 -1.475 -7.763 -0.607 1.00 0.00 H new ATOM 0 HA GLU A 38 0.864 -6.775 -2.069 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.123 -6.764 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.220 -5.459 -3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.558 -7.212 -4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.149 -7.116 -4.342 1.00 0.00 H new ATOM 617 N LEU A 39 0.046 -5.309 0.439 1.00 0.00 N ATOM 618 CA LEU A 39 0.155 -4.121 1.272 1.00 0.00 C ATOM 619 C LEU A 39 1.515 -4.113 1.953 1.00 0.00 C ATOM 620 O LEU A 39 2.137 -3.063 2.119 1.00 0.00 O ATOM 621 CB LEU A 39 -0.966 -4.083 2.314 1.00 0.00 C ATOM 622 CG LEU A 39 -1.836 -2.823 2.280 1.00 0.00 C ATOM 623 CD1 LEU A 39 -3.257 -3.161 1.856 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.835 -2.134 3.637 1.00 0.00 C ATOM 0 H LEU A 39 0.031 -6.186 0.959 1.00 0.00 H new ATOM 0 HA LEU A 39 0.057 -3.235 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.606 -4.953 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.523 -4.175 3.306 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.413 -2.138 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.858 -2.252 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.244 -3.606 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.690 -3.868 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.459 -1.241 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.230 -2.815 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.816 -1.852 3.901 1.00 0.00 H new ATOM 636 N LEU A 40 1.982 -5.302 2.325 1.00 0.00 N ATOM 637 CA LEU A 40 3.280 -5.445 2.965 1.00 0.00 C ATOM 638 C LEU A 40 4.395 -5.246 1.944 1.00 0.00 C ATOM 639 O LEU A 40 5.513 -4.874 2.298 1.00 0.00 O ATOM 640 CB LEU A 40 3.404 -6.824 3.616 1.00 0.00 C ATOM 641 CG LEU A 40 4.377 -6.897 4.794 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.909 -7.927 5.810 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.780 -7.229 4.305 1.00 0.00 C ATOM 0 H LEU A 40 1.478 -6.179 2.193 1.00 0.00 H new ATOM 0 HA LEU A 40 3.371 -4.684 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.418 -7.138 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.721 -7.540 2.858 1.00 0.00 H new ATOM 0 HG LEU A 40 4.403 -5.922 5.281 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.614 -7.965 6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.923 -7.649 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.854 -8.907 5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.460 -7.277 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.769 -8.192 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.117 -6.456 3.614 1.00 0.00 H new ATOM 655 N ARG A 41 4.081 -5.490 0.671 1.00 0.00 N ATOM 656 CA ARG A 41 5.057 -5.330 -0.396 1.00 0.00 C ATOM 657 C ARG A 41 5.351 -3.854 -0.636 1.00 0.00 C ATOM 658 O ARG A 41 6.478 -3.481 -0.965 1.00 0.00 O ATOM 659 CB ARG A 41 4.550 -5.979 -1.686 1.00 0.00 C ATOM 660 CG ARG A 41 3.962 -7.366 -1.479 1.00 0.00 C ATOM 661 CD ARG A 41 4.864 -8.447 -2.054 1.00 0.00 C ATOM 662 NE ARG A 41 4.222 -9.759 -2.043 1.00 0.00 N ATOM 663 CZ ARG A 41 4.867 -10.903 -2.260 1.00 0.00 C ATOM 664 NH1 ARG A 41 6.172 -10.900 -2.506 1.00 0.00 N ATOM 665 NH2 ARG A 41 4.207 -12.053 -2.232 1.00 0.00 N ATOM 0 H ARG A 41 3.160 -5.798 0.359 1.00 0.00 H new ATOM 0 HA ARG A 41 5.979 -5.825 -0.092 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.793 -5.335 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.373 -6.045 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.813 -7.544 -0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.981 -7.420 -1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.137 -8.185 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.789 -8.491 -1.479 1.00 0.00 H new ATOM 0 HE ARG A 41 3.220 -9.801 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.685 -10.018 -2.529 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.662 -11.779 -2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.204 -12.061 -2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.702 -12.929 -2.398 1.00 0.00 H new ATOM 679 N VAL A 42 4.333 -3.015 -0.465 1.00 0.00 N ATOM 680 CA VAL A 42 4.490 -1.581 -0.659 1.00 0.00 C ATOM 681 C VAL A 42 5.468 -1.002 0.355 1.00 0.00 C ATOM 682 O VAL A 42 6.320 -0.184 0.011 1.00 0.00 O ATOM 683 CB VAL A 42 3.139 -0.844 -0.545 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.315 0.647 -0.798 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.125 -1.436 -1.511 1.00 0.00 C ATOM 0 H VAL A 42 3.394 -3.305 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 42 4.883 -1.434 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 42 2.763 -0.974 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.350 1.147 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.005 1.062 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.716 0.801 -1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.179 -0.904 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.495 -1.339 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.973 -2.490 -1.278 1.00 0.00 H new ATOM 695 N GLY A 43 5.346 -1.437 1.604 1.00 0.00 N ATOM 696 CA GLY A 43 6.236 -0.955 2.643 1.00 0.00 C ATOM 697 C GLY A 43 7.660 -1.417 2.430 1.00 0.00 C ATOM 698 O GLY A 43 8.607 -0.668 2.673 1.00 0.00 O ATOM 0 H GLY A 43 4.648 -2.113 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.208 0.134 2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.883 -1.304 3.613 1.00 0.00 H new ATOM 702 N GLN A 44 7.814 -2.651 1.965 1.00 0.00 N ATOM 703 CA GLN A 44 9.134 -3.208 1.708 1.00 0.00 C ATOM 704 C GLN A 44 9.829 -2.426 0.601 1.00 0.00 C ATOM 705 O GLN A 44 11.042 -2.232 0.631 1.00 0.00 O ATOM 706 CB GLN A 44 9.026 -4.684 1.320 1.00 0.00 C ATOM 707 CG GLN A 44 10.169 -5.536 1.845 1.00 0.00 C ATOM 708 CD GLN A 44 9.720 -6.924 2.258 1.00 0.00 C ATOM 709 OE1 GLN A 44 9.799 -7.872 1.478 1.00 0.00 O ATOM 710 NE2 GLN A 44 9.244 -7.049 3.492 1.00 0.00 N ATOM 0 H GLN A 44 7.041 -3.284 1.759 1.00 0.00 H new ATOM 0 HA GLN A 44 9.725 -3.130 2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.084 -5.082 1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.994 -4.764 0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.937 -5.620 1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.627 -5.037 2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.197 -6.235 4.105 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.926 -7.959 3.826 1.00 0.00 H new ATOM 719 N ILE A 45 9.045 -1.971 -0.372 1.00 0.00 N ATOM 720 CA ILE A 45 9.573 -1.200 -1.493 1.00 0.00 C ATOM 721 C ILE A 45 10.398 -0.011 -1.007 1.00 0.00 C ATOM 722 O ILE A 45 11.403 0.345 -1.620 1.00 0.00 O ATOM 723 CB ILE A 45 8.421 -0.706 -2.399 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.827 -1.879 -3.181 1.00 0.00 C ATOM 725 CG2 ILE A 45 8.896 0.383 -3.353 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.389 -1.662 -3.597 1.00 0.00 C ATOM 0 H ILE A 45 8.037 -2.124 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 45 10.225 -1.856 -2.069 1.00 0.00 H new ATOM 0 HB ILE A 45 7.648 -0.277 -1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.431 -2.055 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.888 -2.780 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.063 0.709 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.274 1.230 -2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.691 -0.010 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.034 -2.534 -4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.772 -1.516 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.324 -0.780 -4.234 1.00 0.00 H new ATOM 738 N LEU A 46 9.973 0.599 0.090 1.00 0.00 N ATOM 739 CA LEU A 46 10.685 1.748 0.634 1.00 0.00 C ATOM 740 C LEU A 46 11.984 1.321 1.311 1.00 0.00 C ATOM 741 O LEU A 46 13.017 1.971 1.155 1.00 0.00 O ATOM 742 CB LEU A 46 9.804 2.502 1.633 1.00 0.00 C ATOM 743 CG LEU A 46 8.621 3.251 1.017 1.00 0.00 C ATOM 744 CD1 LEU A 46 9.109 4.386 0.129 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.741 2.294 0.229 1.00 0.00 C ATOM 0 H LEU A 46 9.146 0.321 0.618 1.00 0.00 H new ATOM 0 HA LEU A 46 10.930 2.410 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.422 1.791 2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.424 3.216 2.174 1.00 0.00 H new ATOM 0 HG LEU A 46 8.027 3.681 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.253 4.906 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.698 5.085 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.726 3.981 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.904 2.842 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.325 1.836 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.362 1.517 0.893 1.00 0.00 H new ATOM 757 N LYS A 47 11.926 0.225 2.062 1.00 0.00 N ATOM 758 CA LYS A 47 13.102 -0.282 2.758 1.00 0.00 C ATOM 759 C LYS A 47 14.030 -1.025 1.798 1.00 0.00 C ATOM 760 O LYS A 47 15.227 -1.151 2.053 1.00 0.00 O ATOM 761 CB LYS A 47 12.685 -1.198 3.916 1.00 0.00 C ATOM 762 CG LYS A 47 12.339 -2.618 3.493 1.00 0.00 C ATOM 763 CD LYS A 47 11.817 -3.436 4.662 1.00 0.00 C ATOM 764 CE LYS A 47 12.324 -4.869 4.609 1.00 0.00 C ATOM 765 NZ LYS A 47 13.526 -5.065 5.466 1.00 0.00 N ATOM 0 H LYS A 47 11.080 -0.327 2.203 1.00 0.00 H new ATOM 0 HA LYS A 47 13.648 0.570 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.494 -1.235 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.823 -0.760 4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.589 -2.591 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.223 -3.100 3.076 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.128 -2.973 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.727 -3.434 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.533 -5.546 4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.566 -5.131 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.840 -6.054 5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.289 -4.438 5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.289 -4.840 6.453 1.00 0.00 H new ATOM 779 N GLU A 48 13.469 -1.514 0.696 1.00 0.00 N ATOM 780 CA GLU A 48 14.251 -2.240 -0.296 1.00 0.00 C ATOM 781 C GLU A 48 15.292 -1.320 -0.939 1.00 0.00 C ATOM 782 O GLU A 48 14.946 -0.284 -1.503 1.00 0.00 O ATOM 783 CB GLU A 48 13.322 -2.850 -1.359 1.00 0.00 C ATOM 784 CG GLU A 48 13.226 -2.048 -2.648 1.00 0.00 C ATOM 785 CD GLU A 48 12.148 -2.567 -3.581 1.00 0.00 C ATOM 786 OE1 GLU A 48 11.359 -3.436 -3.154 1.00 0.00 O ATOM 787 OE2 GLU A 48 12.093 -2.104 -4.740 1.00 0.00 O ATOM 0 H GLU A 48 12.479 -1.421 0.469 1.00 0.00 H new ATOM 0 HA GLU A 48 14.783 -3.051 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.672 -3.855 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.323 -2.953 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.021 -1.005 -2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.188 -2.074 -3.160 1.00 0.00 H new ATOM 794 N PRO A 49 16.585 -1.684 -0.861 1.00 0.00 N ATOM 795 CA PRO A 49 17.665 -0.875 -1.439 1.00 0.00 C ATOM 796 C PRO A 49 17.439 -0.565 -2.917 1.00 0.00 C ATOM 797 O PRO A 49 18.002 0.389 -3.452 1.00 0.00 O ATOM 798 CB PRO A 49 18.906 -1.756 -1.264 1.00 0.00 C ATOM 799 CG PRO A 49 18.579 -2.653 -0.121 1.00 0.00 C ATOM 800 CD PRO A 49 17.098 -2.900 -0.204 1.00 0.00 C ATOM 0 HA PRO A 49 17.743 0.098 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.116 -2.328 -2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.791 -1.155 -1.055 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.136 -3.588 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.845 -2.189 0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 49 16.872 -3.795 -0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.658 -3.039 0.783 1.00 0.00 H new ATOM 808 N LYS A 50 16.617 -1.380 -3.571 1.00 0.00 N ATOM 809 CA LYS A 50 16.323 -1.194 -4.987 1.00 0.00 C ATOM 810 C LYS A 50 15.396 -0.002 -5.214 1.00 0.00 C ATOM 811 O LYS A 50 15.395 0.594 -6.292 1.00 0.00 O ATOM 812 CB LYS A 50 15.692 -2.460 -5.566 1.00 0.00 C ATOM 813 CG LYS A 50 16.617 -3.667 -5.542 1.00 0.00 C ATOM 814 CD LYS A 50 15.846 -4.955 -5.303 1.00 0.00 C ATOM 815 CE LYS A 50 16.779 -6.113 -4.992 1.00 0.00 C ATOM 816 NZ LYS A 50 16.194 -7.046 -3.989 1.00 0.00 N ATOM 0 H LYS A 50 16.143 -2.175 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 50 17.265 -0.992 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.788 -2.695 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.387 -2.266 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.154 -3.734 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.364 -3.538 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 50 15.150 -4.815 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 50 15.251 -5.193 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.999 -6.658 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.726 -5.725 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.862 -7.821 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.008 -6.532 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.303 -7.437 -4.357 1.00 0.00 H new ATOM 830 N MET A 51 14.603 0.339 -4.202 1.00 0.00 N ATOM 831 CA MET A 51 13.670 1.458 -4.313 1.00 0.00 C ATOM 832 C MET A 51 13.972 2.551 -3.288 1.00 0.00 C ATOM 833 O MET A 51 13.604 3.709 -3.481 1.00 0.00 O ATOM 834 CB MET A 51 12.231 0.973 -4.149 1.00 0.00 C ATOM 835 CG MET A 51 11.408 1.084 -5.421 1.00 0.00 C ATOM 836 SD MET A 51 11.385 2.758 -6.093 1.00 0.00 S ATOM 837 CE MET A 51 9.622 3.060 -6.181 1.00 0.00 C ATOM 0 H MET A 51 14.587 -0.139 -3.301 1.00 0.00 H new ATOM 0 HA MET A 51 13.793 1.887 -5.307 1.00 0.00 H new ATOM 0 HB2 MET A 51 12.241 -0.066 -3.821 1.00 0.00 H new ATOM 0 HB3 MET A 51 11.748 1.551 -3.361 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.811 0.402 -6.170 1.00 0.00 H new ATOM 0 HG3 MET A 51 10.386 0.765 -5.216 1.00 0.00 H new ATOM 0 HE1 MET A 51 9.352 3.345 -7.198 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.083 2.154 -5.903 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.356 3.865 -5.496 1.00 0.00 H new ATOM 847 N ALA A 52 14.636 2.181 -2.197 1.00 0.00 N ATOM 848 CA ALA A 52 14.974 3.138 -1.148 1.00 0.00 C ATOM 849 C ALA A 52 15.724 4.339 -1.712 1.00 0.00 C ATOM 850 O ALA A 52 15.492 5.476 -1.301 1.00 0.00 O ATOM 851 CB ALA A 52 15.797 2.461 -0.062 1.00 0.00 C ATOM 0 H ALA A 52 14.950 1.228 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 52 14.043 3.501 -0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.042 3.186 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.222 1.644 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.717 2.068 -0.495 1.00 0.00 H new ATOM 857 N ALA A 53 16.620 4.082 -2.659 1.00 0.00 N ATOM 858 CA ALA A 53 17.398 5.147 -3.279 1.00 0.00 C ATOM 859 C ALA A 53 16.639 5.790 -4.439 1.00 0.00 C ATOM 860 O ALA A 53 17.171 6.659 -5.132 1.00 0.00 O ATOM 861 CB ALA A 53 18.738 4.608 -3.759 1.00 0.00 C ATOM 0 H ALA A 53 16.825 3.148 -3.013 1.00 0.00 H new ATOM 0 HA ALA A 53 17.572 5.917 -2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.310 5.413 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.294 4.208 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.571 3.817 -4.490 1.00 0.00 H new ATOM 867 N SER A 54 15.397 5.360 -4.651 1.00 0.00 N ATOM 868 CA SER A 54 14.577 5.897 -5.731 1.00 0.00 C ATOM 869 C SER A 54 13.313 6.561 -5.191 1.00 0.00 C ATOM 870 O SER A 54 12.769 7.471 -5.815 1.00 0.00 O ATOM 871 CB SER A 54 14.201 4.785 -6.712 1.00 0.00 C ATOM 872 OG SER A 54 15.335 4.333 -7.431 1.00 0.00 O ATOM 0 H SER A 54 14.938 4.643 -4.090 1.00 0.00 H new ATOM 0 HA SER A 54 15.164 6.654 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.756 3.952 -6.168 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.447 5.151 -7.409 1.00 0.00 H new ATOM 0 HG SER A 54 15.068 3.621 -8.050 1.00 0.00 H new ATOM 878 N LEU A 55 12.845 6.102 -4.034 1.00 0.00 N ATOM 879 CA LEU A 55 11.644 6.660 -3.425 1.00 0.00 C ATOM 880 C LEU A 55 11.968 7.915 -2.622 1.00 0.00 C ATOM 881 O LEU A 55 11.123 8.796 -2.461 1.00 0.00 O ATOM 882 CB LEU A 55 10.975 5.621 -2.523 1.00 0.00 C ATOM 883 CG LEU A 55 9.980 4.698 -3.229 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.060 3.288 -2.662 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.566 5.247 -3.104 1.00 0.00 C ATOM 0 H LEU A 55 13.278 5.348 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 55 10.957 6.934 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.750 5.010 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.457 6.141 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 55 10.241 4.655 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.345 2.647 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.067 2.895 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.826 3.310 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.870 4.579 -3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.296 5.320 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.518 6.236 -3.560 1.00 0.00 H new ATOM 897 N LEU A 56 13.196 7.991 -2.121 1.00 0.00 N ATOM 898 CA LEU A 56 13.629 9.138 -1.334 1.00 0.00 C ATOM 899 C LEU A 56 14.114 10.270 -2.236 1.00 0.00 C ATOM 900 O LEU A 56 14.072 11.440 -1.855 1.00 0.00 O ATOM 901 CB LEU A 56 14.742 8.729 -0.368 1.00 0.00 C ATOM 902 CG LEU A 56 14.827 9.565 0.911 1.00 0.00 C ATOM 903 CD1 LEU A 56 15.229 10.995 0.587 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.499 9.535 1.654 1.00 0.00 C ATOM 0 H LEU A 56 13.908 7.272 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 56 12.773 9.496 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.598 7.684 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.697 8.792 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 56 15.592 9.133 1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.284 11.575 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.203 10.997 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.488 11.440 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.576 10.134 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.715 9.943 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.253 8.507 1.918 1.00 0.00 H new ATOM 916 N ASN A 57 14.576 9.918 -3.432 1.00 0.00 N ATOM 917 CA ASN A 57 15.069 10.910 -4.380 1.00 0.00 C ATOM 918 C ASN A 57 13.969 11.903 -4.753 1.00 0.00 C ATOM 919 O ASN A 57 12.893 11.506 -5.197 1.00 0.00 O ATOM 920 CB ASN A 57 15.595 10.220 -5.640 1.00 0.00 C ATOM 921 CG ASN A 57 17.072 9.892 -5.546 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.785 10.426 -4.695 1.00 0.00 O ATOM 923 ND2 ASN A 57 17.539 9.010 -6.422 1.00 0.00 N ATOM 0 H ASN A 57 14.619 8.955 -3.767 1.00 0.00 H new ATOM 0 HA ASN A 57 15.882 11.458 -3.905 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.032 9.302 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.423 10.864 -6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.525 8.750 -6.407 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.912 8.593 -7.110 1.00 0.00 H new ATOM 930 N PRO A 58 14.221 13.215 -4.586 1.00 0.00 N ATOM 931 CA PRO A 58 13.239 14.255 -4.918 1.00 0.00 C ATOM 932 C PRO A 58 12.884 14.270 -6.406 1.00 0.00 C ATOM 933 O PRO A 58 11.951 14.956 -6.824 1.00 0.00 O ATOM 934 CB PRO A 58 13.939 15.564 -4.530 1.00 0.00 C ATOM 935 CG PRO A 58 15.050 15.162 -3.622 1.00 0.00 C ATOM 936 CD PRO A 58 15.473 13.793 -4.068 1.00 0.00 C ATOM 0 HA PRO A 58 12.296 14.092 -4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.319 16.083 -5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.250 16.245 -4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.879 15.866 -3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.720 15.149 -2.583 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.245 13.839 -4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.878 13.206 -3.243 1.00 0.00 H new ATOM 944 N TYR A 59 13.638 13.515 -7.199 1.00 0.00 N ATOM 945 CA TYR A 59 13.414 13.444 -8.638 1.00 0.00 C ATOM 946 C TYR A 59 12.281 12.479 -8.988 1.00 0.00 C ATOM 947 O TYR A 59 11.929 12.328 -10.158 1.00 0.00 O ATOM 948 CB TYR A 59 14.703 13.014 -9.341 1.00 0.00 C ATOM 949 CG TYR A 59 15.920 13.792 -8.890 1.00 0.00 C ATOM 950 CD1 TYR A 59 16.589 13.454 -7.719 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.396 14.865 -9.631 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.696 14.163 -7.300 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.505 15.579 -9.218 1.00 0.00 C ATOM 954 CZ TYR A 59 18.151 15.226 -8.053 1.00 0.00 C ATOM 955 OH TYR A 59 19.255 15.935 -7.639 1.00 0.00 O ATOM 0 H TYR A 59 14.413 12.941 -6.867 1.00 0.00 H new ATOM 0 HA TYR A 59 13.121 14.436 -8.981 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.871 11.953 -9.159 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.580 13.137 -10.417 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.236 12.622 -7.127 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.892 15.146 -10.544 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.204 13.887 -6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.864 16.411 -9.806 1.00 0.00 H new ATOM 0 HH TYR A 59 19.444 16.650 -8.282 1.00 0.00 H new ATOM 965 N VAL A 60 11.710 11.826 -7.977 1.00 0.00 N ATOM 966 CA VAL A 60 10.620 10.884 -8.202 1.00 0.00 C ATOM 967 C VAL A 60 9.292 11.450 -7.705 1.00 0.00 C ATOM 968 O VAL A 60 8.714 10.955 -6.737 1.00 0.00 O ATOM 969 CB VAL A 60 10.888 9.532 -7.511 1.00 0.00 C ATOM 970 CG1 VAL A 60 12.138 8.880 -8.082 1.00 0.00 C ATOM 971 CG2 VAL A 60 11.011 9.710 -6.003 1.00 0.00 C ATOM 0 H VAL A 60 11.984 11.932 -7.000 1.00 0.00 H new ATOM 0 HA VAL A 60 10.560 10.722 -9.278 1.00 0.00 H new ATOM 0 HB VAL A 60 10.040 8.875 -7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.312 7.927 -7.583 1.00 0.00 H new ATOM 0 HG12 VAL A 60 12.004 8.711 -9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.995 9.535 -7.923 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.200 8.743 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.837 10.387 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.085 10.128 -5.609 1.00 0.00 H new ATOM 981 N LYS A 61 8.816 12.495 -8.375 1.00 0.00 N ATOM 982 CA LYS A 61 7.556 13.135 -8.006 1.00 0.00 C ATOM 983 C LYS A 61 6.440 12.104 -7.847 1.00 0.00 C ATOM 984 O LYS A 61 6.576 10.957 -8.272 1.00 0.00 O ATOM 985 CB LYS A 61 7.160 14.171 -9.060 1.00 0.00 C ATOM 986 CG LYS A 61 6.473 15.396 -8.480 1.00 0.00 C ATOM 987 CD LYS A 61 6.814 16.651 -9.267 1.00 0.00 C ATOM 988 CE LYS A 61 6.352 16.546 -10.711 1.00 0.00 C ATOM 989 NZ LYS A 61 7.045 17.529 -11.588 1.00 0.00 N ATOM 0 H LYS A 61 9.284 12.918 -9.177 1.00 0.00 H new ATOM 0 HA LYS A 61 7.701 13.634 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.052 14.487 -9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.496 13.702 -9.787 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.394 15.245 -8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.773 15.525 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.346 17.515 -8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.891 16.817 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.538 15.537 -11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.276 16.711 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.702 17.425 -12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.848 18.493 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.070 17.356 -11.561 1.00 0.00 H new ATOM 1003 N ARG A 62 5.339 12.523 -7.232 1.00 0.00 N ATOM 1004 CA ARG A 62 4.200 11.637 -7.013 1.00 0.00 C ATOM 1005 C ARG A 62 3.670 11.091 -8.336 1.00 0.00 C ATOM 1006 O ARG A 62 3.418 9.894 -8.467 1.00 0.00 O ATOM 1007 CB ARG A 62 3.087 12.379 -6.271 1.00 0.00 C ATOM 1008 CG ARG A 62 3.494 12.861 -4.888 1.00 0.00 C ATOM 1009 CD ARG A 62 2.337 13.537 -4.172 1.00 0.00 C ATOM 1010 NE ARG A 62 2.422 14.993 -4.247 1.00 0.00 N ATOM 1011 CZ ARG A 62 1.418 15.813 -3.940 1.00 0.00 C ATOM 1012 NH1 ARG A 62 0.253 15.322 -3.536 1.00 0.00 N ATOM 1013 NH2 ARG A 62 1.580 17.124 -4.036 1.00 0.00 N ATOM 0 H ARG A 62 5.211 13.470 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 62 4.537 10.797 -6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.773 13.236 -6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.223 11.721 -6.178 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.846 12.016 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.327 13.559 -4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.396 13.206 -4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.327 13.228 -3.127 1.00 0.00 H new ATOM 0 HE ARG A 62 3.303 15.407 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.124 14.313 -3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.513 15.954 -3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.474 17.506 -4.345 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.811 17.751 -3.801 1.00 0.00 H new ATOM 1027 N SER A 63 3.502 11.977 -9.312 1.00 0.00 N ATOM 1028 CA SER A 63 3.001 11.584 -10.625 1.00 0.00 C ATOM 1029 C SER A 63 3.897 10.525 -11.257 1.00 0.00 C ATOM 1030 O SER A 63 3.440 9.434 -11.597 1.00 0.00 O ATOM 1031 CB SER A 63 2.904 12.803 -11.543 1.00 0.00 C ATOM 1032 OG SER A 63 2.297 13.897 -10.878 1.00 0.00 O ATOM 0 H SER A 63 3.705 12.972 -9.219 1.00 0.00 H new ATOM 0 HA SER A 63 2.006 11.158 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.900 13.087 -11.882 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.326 12.548 -12.431 1.00 0.00 H new ATOM 0 HG SER A 63 2.249 14.664 -11.486 1.00 0.00 H new ATOM 1038 N VAL A 64 5.175 10.855 -11.412 1.00 0.00 N ATOM 1039 CA VAL A 64 6.136 9.931 -12.004 1.00 0.00 C ATOM 1040 C VAL A 64 6.209 8.632 -11.209 1.00 0.00 C ATOM 1041 O VAL A 64 6.444 7.561 -11.769 1.00 0.00 O ATOM 1042 CB VAL A 64 7.542 10.554 -12.079 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.486 9.653 -12.861 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.479 11.940 -12.702 1.00 0.00 C ATOM 0 H VAL A 64 5.569 11.754 -11.136 1.00 0.00 H new ATOM 0 HA VAL A 64 5.788 9.717 -13.015 1.00 0.00 H new ATOM 0 HB VAL A 64 7.929 10.653 -11.065 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.474 10.111 -12.903 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.556 8.683 -12.368 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.105 9.519 -13.873 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.482 12.365 -12.747 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.070 11.868 -13.710 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.840 12.582 -12.096 1.00 0.00 H new ATOM 1054 N LYS A 65 6.005 8.734 -9.900 1.00 0.00 N ATOM 1055 CA LYS A 65 6.047 7.568 -9.026 1.00 0.00 C ATOM 1056 C LYS A 65 4.875 6.633 -9.315 1.00 0.00 C ATOM 1057 O LYS A 65 4.979 5.419 -9.139 1.00 0.00 O ATOM 1058 CB LYS A 65 6.020 8.001 -7.560 1.00 0.00 C ATOM 1059 CG LYS A 65 7.401 8.249 -6.973 1.00 0.00 C ATOM 1060 CD LYS A 65 7.843 7.102 -6.077 1.00 0.00 C ATOM 1061 CE LYS A 65 9.175 6.523 -6.526 1.00 0.00 C ATOM 1062 NZ LYS A 65 9.103 5.969 -7.906 1.00 0.00 N ATOM 0 H LYS A 65 5.809 9.613 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 65 6.976 7.031 -9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.427 8.911 -7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.517 7.233 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.122 8.380 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.392 9.176 -6.400 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.927 7.454 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.084 6.320 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.940 7.298 -6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.481 5.737 -5.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.811 5.215 -8.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.154 5.579 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.293 6.725 -8.594 1.00 0.00 H new ATOM 1076 N VAL A 66 3.761 7.209 -9.756 1.00 0.00 N ATOM 1077 CA VAL A 66 2.570 6.428 -10.068 1.00 0.00 C ATOM 1078 C VAL A 66 2.800 5.526 -11.274 1.00 0.00 C ATOM 1079 O VAL A 66 2.437 4.350 -11.260 1.00 0.00 O ATOM 1080 CB VAL A 66 1.359 7.339 -10.347 1.00 0.00 C ATOM 1081 CG1 VAL A 66 0.088 6.514 -10.480 1.00 0.00 C ATOM 1082 CG2 VAL A 66 1.213 8.386 -9.251 1.00 0.00 C ATOM 0 H VAL A 66 3.659 8.213 -9.905 1.00 0.00 H new ATOM 0 HA VAL A 66 2.360 5.812 -9.194 1.00 0.00 H new ATOM 0 HB VAL A 66 1.528 7.857 -11.291 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.756 7.175 -10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.196 5.809 -11.304 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.089 5.966 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.353 9.020 -9.466 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.068 7.890 -8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.114 8.999 -9.211 1.00 0.00 H new ATOM 1092 N LYS A 67 3.405 6.084 -12.318 1.00 0.00 N ATOM 1093 CA LYS A 67 3.681 5.325 -13.533 1.00 0.00 C ATOM 1094 C LYS A 67 4.700 4.223 -13.268 1.00 0.00 C ATOM 1095 O LYS A 67 4.572 3.110 -13.778 1.00 0.00 O ATOM 1096 CB LYS A 67 4.191 6.255 -14.636 1.00 0.00 C ATOM 1097 CG LYS A 67 4.087 5.660 -16.030 1.00 0.00 C ATOM 1098 CD LYS A 67 4.824 6.508 -17.054 1.00 0.00 C ATOM 1099 CE LYS A 67 3.887 7.483 -17.748 1.00 0.00 C ATOM 1100 NZ LYS A 67 3.412 6.961 -19.059 1.00 0.00 N ATOM 0 H LYS A 67 3.713 7.056 -12.347 1.00 0.00 H new ATOM 0 HA LYS A 67 2.750 4.861 -13.860 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.626 7.186 -14.605 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.232 6.507 -14.434 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.499 4.651 -16.028 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.038 5.575 -16.313 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.625 7.059 -16.562 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.291 5.860 -17.796 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.030 7.683 -17.105 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.399 8.433 -17.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.776 7.656 -19.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.228 6.794 -19.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.900 6.068 -18.912 1.00 0.00 H new ATOM 1114 N SER A 68 5.712 4.539 -12.468 1.00 0.00 N ATOM 1115 CA SER A 68 6.752 3.572 -12.136 1.00 0.00 C ATOM 1116 C SER A 68 6.204 2.477 -11.229 1.00 0.00 C ATOM 1117 O SER A 68 6.640 1.327 -11.296 1.00 0.00 O ATOM 1118 CB SER A 68 7.931 4.273 -11.458 1.00 0.00 C ATOM 1119 OG SER A 68 7.572 4.746 -10.172 1.00 0.00 O ATOM 0 H SER A 68 5.835 5.456 -12.038 1.00 0.00 H new ATOM 0 HA SER A 68 7.097 3.112 -13.062 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.769 3.582 -11.374 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.266 5.107 -12.075 1.00 0.00 H new ATOM 0 HG SER A 68 6.613 4.944 -10.153 1.00 0.00 H new ATOM 1125 N LEU A 69 5.247 2.839 -10.381 1.00 0.00 N ATOM 1126 CA LEU A 69 4.640 1.884 -9.463 1.00 0.00 C ATOM 1127 C LEU A 69 3.765 0.889 -10.215 1.00 0.00 C ATOM 1128 O LEU A 69 3.689 -0.286 -9.854 1.00 0.00 O ATOM 1129 CB LEU A 69 3.808 2.617 -8.408 1.00 0.00 C ATOM 1130 CG LEU A 69 4.618 3.351 -7.338 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.839 4.542 -6.803 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.990 2.402 -6.209 1.00 0.00 C ATOM 0 H LEU A 69 4.876 3.786 -10.311 1.00 0.00 H new ATOM 0 HA LEU A 69 5.440 1.335 -8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.164 3.338 -8.912 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.156 1.895 -7.916 1.00 0.00 H new ATOM 0 HG LEU A 69 5.537 3.720 -7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.431 5.052 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.624 5.232 -7.619 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.903 4.197 -6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.566 2.940 -5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.083 2.003 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.588 1.582 -6.606 1.00 0.00 H new ATOM 1144 N SER A 70 3.102 1.366 -11.264 1.00 0.00 N ATOM 1145 CA SER A 70 2.229 0.520 -12.068 1.00 0.00 C ATOM 1146 C SER A 70 3.030 -0.535 -12.819 1.00 0.00 C ATOM 1147 O SER A 70 2.611 -1.687 -12.924 1.00 0.00 O ATOM 1148 CB SER A 70 1.424 1.368 -13.054 1.00 0.00 C ATOM 1149 OG SER A 70 0.250 1.882 -12.447 1.00 0.00 O ATOM 0 H SER A 70 3.153 2.335 -11.577 1.00 0.00 H new ATOM 0 HA SER A 70 1.540 0.011 -11.394 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.039 2.191 -13.417 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.154 0.765 -13.921 1.00 0.00 H new ATOM 0 HG SER A 70 -0.245 2.422 -13.098 1.00 0.00 H new ATOM 1155 N ASP A 71 4.190 -0.144 -13.331 1.00 0.00 N ATOM 1156 CA ASP A 71 5.045 -1.073 -14.057 1.00 0.00 C ATOM 1157 C ASP A 71 5.898 -1.866 -13.079 1.00 0.00 C ATOM 1158 O ASP A 71 6.243 -3.020 -13.332 1.00 0.00 O ATOM 1159 CB ASP A 71 5.934 -0.325 -15.052 1.00 0.00 C ATOM 1160 CG ASP A 71 5.245 -0.091 -16.381 1.00 0.00 C ATOM 1161 OD1 ASP A 71 4.064 0.316 -16.375 1.00 0.00 O ATOM 1162 OD2 ASP A 71 5.885 -0.315 -17.430 1.00 0.00 O ATOM 0 H ASP A 71 4.558 0.804 -13.258 1.00 0.00 H new ATOM 0 HA ASP A 71 4.413 -1.763 -14.616 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.227 0.634 -14.624 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.849 -0.894 -15.216 1.00 0.00 H new ATOM 1167 N MET A 72 6.218 -1.243 -11.952 1.00 0.00 N ATOM 1168 CA MET A 72 7.010 -1.896 -10.925 1.00 0.00 C ATOM 1169 C MET A 72 6.147 -2.861 -10.131 1.00 0.00 C ATOM 1170 O MET A 72 6.647 -3.845 -9.588 1.00 0.00 O ATOM 1171 CB MET A 72 7.645 -0.861 -9.993 1.00 0.00 C ATOM 1172 CG MET A 72 8.460 -1.474 -8.865 1.00 0.00 C ATOM 1173 SD MET A 72 8.882 -0.279 -7.583 1.00 0.00 S ATOM 1174 CE MET A 72 7.292 -0.067 -6.785 1.00 0.00 C ATOM 0 H MET A 72 5.940 -0.287 -11.729 1.00 0.00 H new ATOM 0 HA MET A 72 7.809 -2.457 -11.410 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.288 -0.204 -10.578 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.859 -0.239 -9.565 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.897 -2.295 -8.420 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.376 -1.901 -9.274 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.372 0.698 -6.013 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.552 0.239 -7.524 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.984 -1.009 -6.331 1.00 0.00 H new ATOM 1184 N THR A 73 4.842 -2.592 -10.077 1.00 0.00 N ATOM 1185 CA THR A 73 3.945 -3.474 -9.357 1.00 0.00 C ATOM 1186 C THR A 73 3.908 -4.834 -10.028 1.00 0.00 C ATOM 1187 O THR A 73 3.735 -5.858 -9.366 1.00 0.00 O ATOM 1188 CB THR A 73 2.534 -2.905 -9.266 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.746 -3.734 -8.445 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.822 -2.804 -10.590 1.00 0.00 C ATOM 0 H THR A 73 4.397 -1.786 -10.516 1.00 0.00 H new ATOM 0 HA THR A 73 4.328 -3.573 -8.341 1.00 0.00 H new ATOM 0 HB THR A 73 2.654 -1.898 -8.866 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.161 -3.807 -7.560 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.825 -2.390 -10.437 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.386 -2.153 -11.258 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.738 -3.796 -11.035 1.00 0.00 H new ATOM 1198 N ALA A 74 4.091 -4.847 -11.347 1.00 0.00 N ATOM 1199 CA ALA A 74 4.097 -6.097 -12.087 1.00 0.00 C ATOM 1200 C ALA A 74 5.049 -7.085 -11.426 1.00 0.00 C ATOM 1201 O ALA A 74 4.861 -8.299 -11.510 1.00 0.00 O ATOM 1202 CB ALA A 74 4.493 -5.858 -13.537 1.00 0.00 C ATOM 0 H ALA A 74 4.235 -4.013 -11.916 1.00 0.00 H new ATOM 0 HA ALA A 74 3.092 -6.518 -12.076 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.492 -6.806 -14.075 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.780 -5.176 -14.001 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.491 -5.421 -13.574 1.00 0.00 H new ATOM 1208 N LYS A 75 6.069 -6.550 -10.754 1.00 0.00 N ATOM 1209 CA LYS A 75 7.043 -7.380 -10.064 1.00 0.00 C ATOM 1210 C LYS A 75 6.761 -7.430 -8.564 1.00 0.00 C ATOM 1211 O LYS A 75 7.220 -8.339 -7.872 1.00 0.00 O ATOM 1212 CB LYS A 75 8.461 -6.862 -10.314 1.00 0.00 C ATOM 1213 CG LYS A 75 9.062 -7.342 -11.624 1.00 0.00 C ATOM 1214 CD LYS A 75 9.958 -6.284 -12.246 1.00 0.00 C ATOM 1215 CE LYS A 75 9.889 -6.318 -13.765 1.00 0.00 C ATOM 1216 NZ LYS A 75 11.175 -5.901 -14.390 1.00 0.00 N ATOM 0 H LYS A 75 6.238 -5.547 -10.676 1.00 0.00 H new ATOM 0 HA LYS A 75 6.960 -8.392 -10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.447 -5.772 -10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.104 -7.177 -9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.637 -8.251 -11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.263 -7.599 -12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.660 -5.298 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.987 -6.442 -11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.636 -7.326 -14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.090 -5.661 -14.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.086 -5.938 -15.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.405 -4.930 -14.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.934 -6.543 -14.085 1.00 0.00 H new ATOM 1230 N GLU A 76 6.003 -6.458 -8.061 1.00 0.00 N ATOM 1231 CA GLU A 76 5.670 -6.415 -6.645 1.00 0.00 C ATOM 1232 C GLU A 76 4.616 -7.463 -6.306 1.00 0.00 C ATOM 1233 O GLU A 76 4.879 -8.391 -5.542 1.00 0.00 O ATOM 1234 CB GLU A 76 5.168 -5.023 -6.257 1.00 0.00 C ATOM 1235 CG GLU A 76 5.568 -4.600 -4.853 1.00 0.00 C ATOM 1236 CD GLU A 76 7.063 -4.696 -4.617 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.832 -4.337 -5.533 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.463 -5.130 -3.518 1.00 0.00 O ATOM 0 H GLU A 76 5.611 -5.695 -8.612 1.00 0.00 H new ATOM 0 HA GLU A 76 6.574 -6.636 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.554 -4.295 -6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.081 -5.003 -6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.242 -3.574 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.049 -5.226 -4.127 1.00 0.00 H new ATOM 1245 N LYS A 77 3.425 -7.308 -6.892 1.00 0.00 N ATOM 1246 CA LYS A 77 2.310 -8.238 -6.671 1.00 0.00 C ATOM 1247 C LYS A 77 0.968 -7.561 -6.947 1.00 0.00 C ATOM 1248 O LYS A 77 0.026 -8.200 -7.416 1.00 0.00 O ATOM 1249 CB LYS A 77 2.314 -8.782 -5.237 1.00 0.00 C ATOM 1250 CG LYS A 77 2.885 -10.186 -5.121 1.00 0.00 C ATOM 1251 CD LYS A 77 1.824 -11.242 -5.384 1.00 0.00 C ATOM 1252 CE LYS A 77 2.441 -12.544 -5.869 1.00 0.00 C ATOM 1253 NZ LYS A 77 1.410 -13.501 -6.357 1.00 0.00 N ATOM 0 H LYS A 77 3.206 -6.541 -7.528 1.00 0.00 H new ATOM 0 HA LYS A 77 2.444 -9.068 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.893 -8.110 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.294 -8.781 -4.854 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.704 -10.307 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.303 -10.329 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.257 -11.425 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.119 -10.873 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.149 -12.333 -6.671 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.006 -13.002 -5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.872 -14.375 -6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.749 -13.722 -5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.888 -13.075 -7.149 1.00 0.00 H new ATOM 1267 N PHE A 78 0.882 -6.269 -6.637 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.348 -5.504 -6.832 1.00 0.00 C ATOM 1269 C PHE A 78 -0.929 -5.703 -8.204 1.00 0.00 C ATOM 1270 O PHE A 78 -0.362 -6.400 -9.046 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.109 -4.010 -6.634 1.00 0.00 C ATOM 1272 CG PHE A 78 0.929 -3.720 -5.613 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.843 -4.294 -4.363 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.001 -2.904 -5.910 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.817 -4.055 -3.418 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.979 -2.661 -4.976 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.891 -3.238 -3.724 1.00 0.00 C ATOM 0 H PHE A 78 1.654 -5.728 -6.248 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.051 -5.875 -6.086 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.189 -3.566 -7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.044 -3.534 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.007 -4.935 -4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.072 -2.451 -6.888 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.742 -4.505 -2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.814 -2.021 -5.220 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.658 -3.052 -2.987 1.00 0.00 H new ATOM 1287 N SER A 79 -2.058 -5.042 -8.411 1.00 0.00 N ATOM 1288 CA SER A 79 -2.771 -5.073 -9.680 1.00 0.00 C ATOM 1289 C SER A 79 -4.280 -5.018 -9.480 1.00 0.00 C ATOM 1290 O SER A 79 -4.982 -4.346 -10.234 1.00 0.00 O ATOM 1291 CB SER A 79 -2.421 -6.314 -10.511 1.00 0.00 C ATOM 1292 OG SER A 79 -1.266 -6.092 -11.301 1.00 0.00 O ATOM 0 H SER A 79 -2.508 -4.466 -7.700 1.00 0.00 H new ATOM 0 HA SER A 79 -2.449 -4.185 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.254 -7.163 -9.849 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.261 -6.573 -11.155 1.00 0.00 H new ATOM 0 HG SER A 79 -0.506 -5.886 -10.718 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.822 -5.768 -8.506 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.249 -5.823 -8.281 1.00 0.00 C ATOM 1300 C PRO A 80 -6.764 -4.940 -7.154 1.00 0.00 C ATOM 1301 O PRO A 80 -7.420 -3.930 -7.415 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.456 -7.298 -7.953 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.156 -7.759 -7.345 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.122 -6.679 -7.600 1.00 0.00 C ATOM 0 HA PRO A 80 -6.801 -5.448 -9.142 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.285 -7.433 -7.258 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.695 -7.870 -8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.274 -7.932 -6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.840 -8.704 -7.787 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.821 -6.181 -6.678 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.217 -7.084 -8.053 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.490 -5.302 -5.905 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.970 -4.497 -4.795 1.00 0.00 C ATOM 1314 C LEU A 81 -5.869 -3.587 -4.305 1.00 0.00 C ATOM 1315 O LEU A 81 -5.978 -2.943 -3.262 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.505 -5.377 -3.671 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.010 -5.647 -3.761 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.382 -6.910 -3.007 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.796 -4.452 -3.237 1.00 0.00 C ATOM 0 H LEU A 81 -5.951 -6.127 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.798 -3.879 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.973 -6.328 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.287 -4.902 -2.715 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.268 -5.797 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.456 -7.078 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.849 -7.759 -3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.109 -6.801 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.864 -4.659 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.530 -4.270 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.558 -3.570 -3.832 1.00 0.00 H new ATOM 1331 N THR A 82 -4.812 -3.532 -5.095 1.00 0.00 N ATOM 1332 CA THR A 82 -3.678 -2.703 -4.801 1.00 0.00 C ATOM 1333 C THR A 82 -3.347 -1.817 -5.996 1.00 0.00 C ATOM 1334 O THR A 82 -2.449 -0.982 -5.923 1.00 0.00 O ATOM 1335 CB THR A 82 -2.488 -3.567 -4.419 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.865 -4.930 -4.330 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.877 -3.166 -3.094 1.00 0.00 C ATOM 0 H THR A 82 -4.725 -4.066 -5.959 1.00 0.00 H new ATOM 0 HA THR A 82 -3.919 -2.057 -3.957 1.00 0.00 H new ATOM 0 HB THR A 82 -1.748 -3.420 -5.206 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.287 -5.097 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.031 -3.817 -2.872 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.535 -2.132 -3.149 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.624 -3.260 -2.306 1.00 0.00 H new ATOM 1345 N SER A 83 -4.094 -1.980 -7.098 1.00 0.00 N ATOM 1346 CA SER A 83 -3.866 -1.159 -8.277 1.00 0.00 C ATOM 1347 C SER A 83 -4.690 0.122 -8.200 1.00 0.00 C ATOM 1348 O SER A 83 -5.063 0.710 -9.214 1.00 0.00 O ATOM 1349 CB SER A 83 -4.209 -1.920 -9.553 1.00 0.00 C ATOM 1350 OG SER A 83 -4.171 -1.065 -10.684 1.00 0.00 O ATOM 0 H SER A 83 -4.846 -2.663 -7.189 1.00 0.00 H new ATOM 0 HA SER A 83 -2.807 -0.902 -8.305 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.506 -2.741 -9.690 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.201 -2.362 -9.461 1.00 0.00 H new ATOM 0 HG SER A 83 -4.850 -0.365 -10.588 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.945 0.543 -6.975 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.695 1.751 -6.686 1.00 0.00 C ATOM 1358 C ASN A 84 -5.067 2.372 -5.462 1.00 0.00 C ATOM 1359 O ASN A 84 -4.772 3.567 -5.423 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.171 1.434 -6.434 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.093 2.527 -6.939 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.890 3.074 -8.022 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -9.112 2.851 -6.152 1.00 0.00 N ATOM 0 H ASN A 84 -4.632 0.048 -6.140 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.661 2.436 -7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.426 0.493 -6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.332 1.292 -5.365 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.765 3.580 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.242 2.370 -5.262 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.802 1.515 -4.482 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.135 1.927 -3.273 1.00 0.00 C ATOM 1372 C LEU A 85 -2.700 2.306 -3.621 1.00 0.00 C ATOM 1373 O LEU A 85 -2.040 3.028 -2.875 1.00 0.00 O ATOM 1374 CB LEU A 85 -4.149 0.792 -2.241 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.456 1.111 -0.914 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.439 1.729 0.069 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.831 -0.144 -0.323 1.00 0.00 C ATOM 0 H LEU A 85 -5.045 0.525 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.652 2.783 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.185 0.521 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.672 -0.084 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.663 1.834 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.927 1.948 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.841 2.652 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.254 1.030 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.343 0.102 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.607 -0.889 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.094 -0.546 -1.019 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.222 1.816 -4.778 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.872 2.115 -5.224 1.00 0.00 C ATOM 1391 C ILE A 86 -0.745 3.588 -5.604 1.00 0.00 C ATOM 1392 O ILE A 86 0.135 4.295 -5.113 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.451 1.211 -6.417 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.600 0.196 -5.964 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.082 2.027 -7.591 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.074 -0.814 -4.970 1.00 0.00 C ATOM 0 H ILE A 86 -2.754 1.217 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.198 1.907 -4.393 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.342 0.684 -6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.984 -0.331 -6.837 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.440 0.729 -5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.364 1.356 -8.402 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.691 2.712 -7.939 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.954 2.597 -7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.873 -1.502 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.284 -0.296 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.747 -1.373 -5.419 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.633 4.042 -6.483 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.625 5.428 -6.932 1.00 0.00 C ATOM 1410 C ASN A 87 -1.994 6.368 -5.790 1.00 0.00 C ATOM 1411 O ASN A 87 -1.527 7.505 -5.733 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.599 5.615 -8.097 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.245 4.751 -9.292 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.111 4.291 -9.426 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.217 4.528 -10.169 1.00 0.00 N ATOM 0 H ASN A 87 -2.367 3.469 -6.898 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.617 5.670 -7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.609 5.374 -7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.604 6.663 -8.398 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.038 3.955 -10.994 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.142 4.929 -10.018 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.837 5.884 -4.885 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.271 6.682 -3.744 1.00 0.00 C ATOM 1424 C LEU A 88 -2.162 6.796 -2.705 1.00 0.00 C ATOM 1425 O LEU A 88 -2.039 7.816 -2.028 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.522 6.069 -3.112 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.536 7.079 -2.571 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.951 6.545 -2.717 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.235 7.407 -1.116 1.00 0.00 C ATOM 0 H LEU A 88 -3.233 4.945 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.509 7.683 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.016 5.443 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.215 5.414 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.455 7.996 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.658 7.277 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.163 6.361 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.048 5.614 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.966 8.127 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.289 6.497 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.235 7.833 -1.038 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.356 5.747 -2.581 1.00 0.00 N ATOM 1442 CA LEU A 89 -0.260 5.749 -1.621 1.00 0.00 C ATOM 1443 C LEU A 89 0.853 6.684 -2.081 1.00 0.00 C ATOM 1444 O LEU A 89 1.519 7.319 -1.265 1.00 0.00 O ATOM 1445 CB LEU A 89 0.283 4.333 -1.426 1.00 0.00 C ATOM 1446 CG LEU A 89 -0.142 3.661 -0.120 1.00 0.00 C ATOM 1447 CD1 LEU A 89 -0.309 2.161 -0.320 1.00 0.00 C ATOM 1448 CD2 LEU A 89 0.872 3.947 0.974 1.00 0.00 C ATOM 0 H LEU A 89 -1.440 4.891 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.642 6.109 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.045 3.714 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.372 4.367 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.104 4.072 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.612 1.700 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.072 1.978 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.637 1.730 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.557 3.462 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.847 3.561 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.941 5.023 1.134 1.00 0.00 H new ATOM 1460 N ALA A 90 1.040 6.766 -3.393 1.00 0.00 N ATOM 1461 CA ALA A 90 2.065 7.629 -3.964 1.00 0.00 C ATOM 1462 C ALA A 90 1.488 8.988 -4.351 1.00 0.00 C ATOM 1463 O ALA A 90 2.134 9.767 -5.052 1.00 0.00 O ATOM 1464 CB ALA A 90 2.702 6.960 -5.172 1.00 0.00 C ATOM 0 H ALA A 90 0.495 6.245 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 90 2.831 7.793 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.466 7.615 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.158 6.018 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.939 6.767 -5.926 1.00 0.00 H new ATOM 1470 N GLU A 91 0.270 9.272 -3.891 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.383 10.541 -4.195 1.00 0.00 C ATOM 1472 C GLU A 91 -0.477 11.415 -2.950 1.00 0.00 C ATOM 1473 O GLU A 91 0.194 12.443 -2.849 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.780 10.296 -4.770 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.538 11.573 -5.095 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.412 12.039 -3.947 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -3.975 11.176 -3.241 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.533 13.268 -3.754 1.00 0.00 O ATOM 0 H GLU A 91 -0.281 8.642 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 91 0.220 11.063 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.691 9.696 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.360 9.711 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.827 12.359 -5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.158 11.409 -5.976 1.00 0.00 H new ATOM 1485 N ASN A 92 -1.315 11.001 -2.005 1.00 0.00 N ATOM 1486 CA ASN A 92 -1.497 11.748 -0.765 1.00 0.00 C ATOM 1487 C ASN A 92 -0.178 11.886 -0.011 1.00 0.00 C ATOM 1488 O ASN A 92 0.025 12.846 0.733 1.00 0.00 O ATOM 1489 CB ASN A 92 -2.534 11.059 0.122 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.944 11.914 1.305 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -2.240 11.976 2.313 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -4.088 12.579 1.187 1.00 0.00 N ATOM 0 H ASN A 92 -1.878 10.153 -2.074 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.853 12.746 -1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.416 10.820 -0.473 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.128 10.114 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.415 13.171 1.951 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.639 12.498 0.333 1.00 0.00 H new ATOM 1499 N GLY A 93 0.716 10.922 -0.207 1.00 0.00 N ATOM 1500 CA GLY A 93 2.002 10.956 0.463 1.00 0.00 C ATOM 1501 C GLY A 93 2.112 9.913 1.558 1.00 0.00 C ATOM 1502 O GLY A 93 2.846 10.097 2.528 1.00 0.00 O ATOM 0 H GLY A 93 0.572 10.118 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.794 10.795 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.159 11.946 0.891 1.00 0.00 H new ATOM 1506 N ARG A 94 1.377 8.816 1.402 1.00 0.00 N ATOM 1507 CA ARG A 94 1.393 7.740 2.385 1.00 0.00 C ATOM 1508 C ARG A 94 2.734 7.016 2.384 1.00 0.00 C ATOM 1509 O ARG A 94 3.141 6.445 3.396 1.00 0.00 O ATOM 1510 CB ARG A 94 0.265 6.747 2.102 1.00 0.00 C ATOM 1511 CG ARG A 94 -1.108 7.250 2.515 1.00 0.00 C ATOM 1512 CD ARG A 94 -1.254 7.292 4.028 1.00 0.00 C ATOM 1513 NE ARG A 94 -2.238 8.282 4.457 1.00 0.00 N ATOM 1514 CZ ARG A 94 -2.091 9.595 4.291 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -1.003 10.079 3.706 1.00 0.00 N ATOM 1516 NH2 ARG A 94 -3.034 10.426 4.712 1.00 0.00 N ATOM 0 H ARG A 94 0.763 8.650 0.604 1.00 0.00 H new ATOM 0 HA ARG A 94 1.243 8.182 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.253 6.518 1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.474 5.814 2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.270 8.247 2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.876 6.603 2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.549 6.307 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.289 7.522 4.479 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.088 7.948 4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.274 9.444 3.381 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.896 11.086 3.582 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.872 10.060 5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.921 11.432 4.585 1.00 0.00 H new ATOM 1530 N LEU A 95 3.423 7.045 1.245 1.00 0.00 N ATOM 1531 CA LEU A 95 4.722 6.390 1.123 1.00 0.00 C ATOM 1532 C LEU A 95 5.649 6.813 2.259 1.00 0.00 C ATOM 1533 O LEU A 95 5.426 7.840 2.900 1.00 0.00 O ATOM 1534 CB LEU A 95 5.361 6.719 -0.229 1.00 0.00 C ATOM 1535 CG LEU A 95 4.597 6.203 -1.451 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.389 6.459 -2.723 1.00 0.00 C ATOM 1537 CD2 LEU A 95 4.291 4.718 -1.303 1.00 0.00 C ATOM 0 H LEU A 95 3.104 7.513 0.397 1.00 0.00 H new ATOM 0 HA LEU A 95 4.567 5.313 1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.461 7.801 -0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.369 6.304 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 95 3.653 6.744 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.830 6.085 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.557 7.530 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.349 5.946 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.748 4.369 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.224 4.162 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.682 4.559 -0.413 1.00 0.00 H new ATOM 1549 N THR A 96 6.674 6.000 2.516 1.00 0.00 N ATOM 1550 CA THR A 96 7.634 6.263 3.590 1.00 0.00 C ATOM 1551 C THR A 96 7.111 5.692 4.902 1.00 0.00 C ATOM 1552 O THR A 96 7.791 4.911 5.568 1.00 0.00 O ATOM 1553 CB THR A 96 7.912 7.764 3.740 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.862 8.410 2.480 1.00 0.00 O ATOM 1555 CG2 THR A 96 9.261 8.064 4.356 1.00 0.00 C ATOM 0 H THR A 96 6.862 5.146 1.990 1.00 0.00 H new ATOM 0 HA THR A 96 8.574 5.775 3.331 1.00 0.00 H new ATOM 0 HB THR A 96 7.135 8.137 4.407 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.961 8.766 2.330 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.394 9.143 4.433 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.314 7.620 5.350 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.048 7.646 3.729 1.00 0.00 H new ATOM 1563 N ASN A 97 5.884 6.067 5.251 1.00 0.00 N ATOM 1564 CA ASN A 97 5.249 5.572 6.465 1.00 0.00 C ATOM 1565 C ASN A 97 4.378 4.358 6.143 1.00 0.00 C ATOM 1566 O ASN A 97 3.513 3.971 6.929 1.00 0.00 O ATOM 1567 CB ASN A 97 4.398 6.671 7.107 1.00 0.00 C ATOM 1568 CG ASN A 97 3.282 7.144 6.196 1.00 0.00 C ATOM 1569 OD1 ASN A 97 2.428 6.361 5.783 1.00 0.00 O ATOM 1570 ND2 ASN A 97 3.284 8.434 5.880 1.00 0.00 N ATOM 0 H ASN A 97 5.310 6.713 4.709 1.00 0.00 H new ATOM 0 HA ASN A 97 6.026 5.275 7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.970 6.298 8.038 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.036 7.516 7.365 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.557 8.811 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.012 9.047 6.246 1.00 0.00 H new ATOM 1577 N THR A 98 4.616 3.765 4.971 1.00 0.00 N ATOM 1578 CA THR A 98 3.867 2.598 4.517 1.00 0.00 C ATOM 1579 C THR A 98 3.712 1.553 5.624 1.00 0.00 C ATOM 1580 O THR A 98 2.594 1.170 5.968 1.00 0.00 O ATOM 1581 CB THR A 98 4.557 1.977 3.300 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.887 2.451 3.180 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.845 2.270 1.997 1.00 0.00 C ATOM 0 H THR A 98 5.330 4.081 4.315 1.00 0.00 H new ATOM 0 HA THR A 98 2.867 2.933 4.240 1.00 0.00 H new ATOM 0 HB THR A 98 4.537 0.901 3.473 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.996 2.906 2.319 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.385 1.802 1.174 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.831 1.872 2.039 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.805 3.348 1.838 1.00 0.00 H new ATOM 1591 N PRO A 99 4.831 1.066 6.195 1.00 0.00 N ATOM 1592 CA PRO A 99 4.806 0.058 7.257 1.00 0.00 C ATOM 1593 C PRO A 99 3.747 0.351 8.317 1.00 0.00 C ATOM 1594 O PRO A 99 3.081 -0.560 8.809 1.00 0.00 O ATOM 1595 CB PRO A 99 6.217 0.124 7.867 1.00 0.00 C ATOM 1596 CG PRO A 99 6.925 1.239 7.160 1.00 0.00 C ATOM 1597 CD PRO A 99 6.207 1.442 5.857 1.00 0.00 C ATOM 0 HA PRO A 99 4.549 -0.927 6.867 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.169 0.311 8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.744 -0.820 7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.908 2.150 7.758 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.972 0.988 6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.273 2.474 5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.617 0.815 5.065 1.00 0.00 H new ATOM 1605 N ALA A 100 3.592 1.625 8.663 1.00 0.00 N ATOM 1606 CA ALA A 100 2.609 2.028 9.660 1.00 0.00 C ATOM 1607 C ALA A 100 1.193 1.914 9.106 1.00 0.00 C ATOM 1608 O ALA A 100 0.243 1.651 9.843 1.00 0.00 O ATOM 1609 CB ALA A 100 2.882 3.448 10.132 1.00 0.00 C ATOM 0 H ALA A 100 4.134 2.394 8.268 1.00 0.00 H new ATOM 0 HA ALA A 100 2.695 1.355 10.513 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.139 3.733 10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.877 3.499 10.574 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.826 4.130 9.284 1.00 0.00 H new ATOM 1615 N VAL A 101 1.060 2.112 7.797 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.236 2.029 7.136 1.00 0.00 C ATOM 1617 C VAL A 101 -0.649 0.576 6.920 1.00 0.00 C ATOM 1618 O VAL A 101 -1.835 0.250 6.925 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.217 2.753 5.775 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.595 2.728 5.130 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.278 4.183 5.939 1.00 0.00 C ATOM 0 H VAL A 101 1.837 2.331 7.173 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.959 2.517 7.790 1.00 0.00 H new ATOM 0 HB VAL A 101 0.472 2.226 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.557 3.245 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.905 1.695 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.311 3.227 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.285 4.679 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.384 4.722 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.288 4.174 6.349 1.00 0.00 H new ATOM 1631 N ILE A 102 0.340 -0.290 6.727 1.00 0.00 N ATOM 1632 CA ILE A 102 0.082 -1.708 6.505 1.00 0.00 C ATOM 1633 C ILE A 102 -0.192 -2.430 7.819 1.00 0.00 C ATOM 1634 O ILE A 102 -0.932 -3.414 7.855 1.00 0.00 O ATOM 1635 CB ILE A 102 1.268 -2.389 5.796 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.707 -1.569 4.581 1.00 0.00 C ATOM 1637 CG2 ILE A 102 0.894 -3.804 5.380 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.180 -1.703 4.260 1.00 0.00 C ATOM 0 H ILE A 102 1.328 -0.035 6.720 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.800 -1.773 5.868 1.00 0.00 H new ATOM 0 HB ILE A 102 2.104 -2.444 6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.125 -1.880 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.477 -0.519 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.742 -4.272 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.627 -4.384 6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.044 -3.770 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.419 -1.095 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.770 -1.364 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.413 -2.747 4.049 1.00 0.00 H new ATOM 1650 N SER A 103 0.407 -1.935 8.899 1.00 0.00 N ATOM 1651 CA SER A 103 0.225 -2.536 10.216 1.00 0.00 C ATOM 1652 C SER A 103 -1.250 -2.571 10.598 1.00 0.00 C ATOM 1653 O SER A 103 -1.736 -3.560 11.149 1.00 0.00 O ATOM 1654 CB SER A 103 1.018 -1.758 11.268 1.00 0.00 C ATOM 1655 OG SER A 103 2.410 -1.993 11.135 1.00 0.00 O ATOM 0 H SER A 103 1.021 -1.121 8.888 1.00 0.00 H new ATOM 0 HA SER A 103 0.596 -3.560 10.175 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.815 -0.692 11.166 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.690 -2.051 12.265 1.00 0.00 H new ATOM 0 HG SER A 103 2.745 -1.530 10.339 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.960 -1.489 10.297 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.381 -1.399 10.607 1.00 0.00 C ATOM 1663 C ALA A 104 -4.166 -2.485 9.878 1.00 0.00 C ATOM 1664 O ALA A 104 -5.189 -2.961 10.370 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.913 -0.020 10.245 1.00 0.00 C ATOM 0 H ALA A 104 -1.575 -0.663 9.839 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.509 -1.552 11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.976 0.034 10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.376 0.738 10.815 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.769 0.157 9.179 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.677 -2.877 8.706 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.329 -3.913 7.910 1.00 0.00 C ATOM 1673 C PHE A 105 -4.378 -5.228 8.676 1.00 0.00 C ATOM 1674 O PHE A 105 -5.367 -5.958 8.613 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.578 -4.119 6.592 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.468 -4.437 5.422 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.858 -5.742 5.150 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.903 -3.427 4.580 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.663 -6.025 4.068 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.706 -3.708 3.495 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.086 -5.009 3.240 1.00 0.00 C ATOM 0 H PHE A 105 -2.831 -2.493 8.285 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.348 -3.588 7.699 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.007 -3.218 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.859 -4.928 6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.527 -6.544 5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.609 -2.406 4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.962 -7.044 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.037 -2.911 2.846 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.715 -5.231 2.391 1.00 0.00 H new ATOM 1691 N SER A 106 -3.297 -5.530 9.386 1.00 0.00 N ATOM 1692 CA SER A 106 -3.211 -6.769 10.150 1.00 0.00 C ATOM 1693 C SER A 106 -4.067 -6.721 11.411 1.00 0.00 C ATOM 1694 O SER A 106 -4.407 -7.761 11.974 1.00 0.00 O ATOM 1695 CB SER A 106 -1.757 -7.072 10.514 1.00 0.00 C ATOM 1696 OG SER A 106 -1.599 -8.426 10.898 1.00 0.00 O ATOM 0 H SER A 106 -2.470 -4.936 9.449 1.00 0.00 H new ATOM 0 HA SER A 106 -3.598 -7.568 9.517 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.113 -6.855 9.662 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.439 -6.420 11.328 1.00 0.00 H new ATOM 0 HG SER A 106 -0.660 -8.594 11.124 1.00 0.00 H new ATOM 1702 N THR A 107 -4.425 -5.521 11.848 1.00 0.00 N ATOM 1703 CA THR A 107 -5.255 -5.372 13.035 1.00 0.00 C ATOM 1704 C THR A 107 -6.704 -5.163 12.636 1.00 0.00 C ATOM 1705 O THR A 107 -7.620 -5.598 13.334 1.00 0.00 O ATOM 1706 CB THR A 107 -4.765 -4.208 13.897 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.354 -4.096 13.835 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.151 -4.339 15.355 1.00 0.00 C ATOM 0 H THR A 107 -4.156 -4.644 11.403 1.00 0.00 H new ATOM 0 HA THR A 107 -5.181 -6.286 13.625 1.00 0.00 H new ATOM 0 HB THR A 107 -5.250 -3.322 13.487 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.061 -3.345 14.392 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.773 -3.481 15.910 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.237 -4.377 15.442 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.722 -5.254 15.764 1.00 0.00 H new ATOM 1716 N MET A 108 -6.906 -4.518 11.496 1.00 0.00 N ATOM 1717 CA MET A 108 -8.243 -4.283 10.993 1.00 0.00 C ATOM 1718 C MET A 108 -8.750 -5.525 10.278 1.00 0.00 C ATOM 1719 O MET A 108 -9.956 -5.730 10.151 1.00 0.00 O ATOM 1720 CB MET A 108 -8.257 -3.081 10.055 1.00 0.00 C ATOM 1721 CG MET A 108 -7.906 -1.774 10.748 1.00 0.00 C ATOM 1722 SD MET A 108 -9.113 -1.311 12.005 1.00 0.00 S ATOM 1723 CE MET A 108 -8.342 -1.981 13.477 1.00 0.00 C ATOM 0 H MET A 108 -6.160 -4.150 10.906 1.00 0.00 H new ATOM 0 HA MET A 108 -8.904 -4.066 11.832 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.551 -3.255 9.243 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.246 -2.992 9.605 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.923 -1.864 11.209 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.838 -0.980 10.005 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.897 -2.857 13.812 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.315 -2.267 13.252 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.344 -1.227 14.264 1.00 0.00 H new ATOM 1733 N MET A 109 -7.821 -6.371 9.827 1.00 0.00 N ATOM 1734 CA MET A 109 -8.196 -7.599 9.152 1.00 0.00 C ATOM 1735 C MET A 109 -8.930 -8.509 10.126 1.00 0.00 C ATOM 1736 O MET A 109 -9.874 -9.205 9.752 1.00 0.00 O ATOM 1737 CB MET A 109 -6.961 -8.319 8.605 1.00 0.00 C ATOM 1738 CG MET A 109 -5.929 -8.644 9.668 1.00 0.00 C ATOM 1739 SD MET A 109 -6.220 -10.241 10.453 1.00 0.00 S ATOM 1740 CE MET A 109 -4.625 -11.024 10.227 1.00 0.00 C ATOM 0 H MET A 109 -6.816 -6.224 9.919 1.00 0.00 H new ATOM 0 HA MET A 109 -8.848 -7.351 8.315 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.274 -9.243 8.120 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.498 -7.698 7.838 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.936 -8.640 9.218 1.00 0.00 H new ATOM 0 HG3 MET A 109 -5.938 -7.863 10.428 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.645 -12.023 10.661 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.402 -11.096 9.162 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.855 -10.430 10.719 1.00 0.00 H new ATOM 1750 N SER A 110 -8.492 -8.491 11.387 1.00 0.00 N ATOM 1751 CA SER A 110 -9.117 -9.310 12.418 1.00 0.00 C ATOM 1752 C SER A 110 -10.609 -9.001 12.517 1.00 0.00 C ATOM 1753 O SER A 110 -11.395 -9.824 12.984 1.00 0.00 O ATOM 1754 CB SER A 110 -8.442 -9.069 13.770 1.00 0.00 C ATOM 1755 OG SER A 110 -7.200 -9.746 13.847 1.00 0.00 O ATOM 0 H SER A 110 -7.712 -7.921 11.713 1.00 0.00 H new ATOM 0 HA SER A 110 -8.995 -10.358 12.144 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.287 -8.000 13.917 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.096 -9.410 14.573 1.00 0.00 H new ATOM 0 HG SER A 110 -6.866 -9.920 12.942 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.988 -7.806 12.071 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.381 -7.382 12.102 1.00 0.00 C ATOM 1763 C VAL A 111 -13.185 -8.060 10.995 1.00 0.00 C ATOM 1764 O VAL A 111 -14.307 -8.514 11.222 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.497 -5.849 11.967 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -13.955 -5.417 11.883 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -11.800 -5.160 13.131 1.00 0.00 C ATOM 0 H VAL A 111 -10.346 -7.114 11.683 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.791 -7.681 13.067 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.005 -5.551 11.041 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.008 -4.332 11.788 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.422 -5.880 11.014 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.479 -5.729 12.786 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.891 -4.079 13.021 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.264 -5.470 14.068 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.746 -5.437 13.139 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.607 -8.132 9.798 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.283 -8.764 8.669 1.00 0.00 C ATOM 1779 C HIS A 112 -13.330 -10.278 8.852 1.00 0.00 C ATOM 1780 O HIS A 112 -14.277 -10.937 8.423 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.589 -8.406 7.349 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.314 -9.151 7.099 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.067 -10.472 6.953 1.00 0.00 N flip ATOM 1784 CD2 HIS A 112 -10.100 -8.524 6.964 1.00 0.00 C flip ATOM 1785 CE1 HIS A 112 -9.722 -10.618 6.740 1.00 0.00 C flip ATOM 1786 NE2 HIS A 112 -9.161 -9.427 6.749 1.00 0.00 N flip ATOM 0 H HIS A 112 -11.680 -7.764 9.586 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.305 -8.387 8.631 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.277 -8.601 6.526 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.378 -7.337 7.342 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -11.756 -11.223 6.994 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -9.938 -7.458 7.024 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.207 -11.555 6.590 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.299 -10.818 9.493 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.217 -12.252 9.737 1.00 0.00 C ATOM 1797 C ARG A 113 -13.230 -12.680 10.794 1.00 0.00 C ATOM 1798 O ARG A 113 -13.736 -13.803 10.764 1.00 0.00 O ATOM 1799 CB ARG A 113 -10.805 -12.634 10.184 1.00 0.00 C ATOM 1800 CG ARG A 113 -9.867 -12.951 9.031 1.00 0.00 C ATOM 1801 CD ARG A 113 -8.794 -13.947 9.443 1.00 0.00 C ATOM 1802 NE ARG A 113 -8.477 -14.884 8.369 1.00 0.00 N ATOM 1803 CZ ARG A 113 -7.775 -14.562 7.286 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -7.317 -13.327 7.127 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -7.532 -15.476 6.357 1.00 0.00 N ATOM 0 H ARG A 113 -11.508 -10.283 9.853 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.448 -12.769 8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.384 -11.816 10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.863 -13.500 10.843 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.439 -13.355 8.196 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.397 -12.032 8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.892 -13.409 9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.130 -14.501 10.320 1.00 0.00 H new ATOM 0 HE ARG A 113 -8.814 -15.843 8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.503 -12.619 7.837 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -6.779 -13.086 6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.883 -16.427 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -6.994 -15.229 5.527 1.00 0.00 H new