USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 885 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 109 MET CE :methyl -160:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 HIS : no HE2:sc= -2.3! C(o=-2.3!,f=-11!) USER MOD Set 2.1: A 96 THR OG1 : rot 93:sc= 0.124 USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= 0.286 F(o=-0.17,f=0.41) USER MOD Set 3.1: A 34 GLN : amide:sc= 0.264 K(o=-1.3,f=-3.9!) USER MOD Set 3.2: A 79 SER OG : rot 85:sc= -1.57! USER MOD Single : A 18 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 23 TYR OH : rot 175:sc= -1.63! USER MOD Single : A 24 SER OG : rot -110:sc= 0.00413 USER MOD Single : A 27 SER OG : rot -94:sc= 0.828 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.8!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0411 K(o=-0.041,f=-1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 164:sc= -4.25 (180deg=-5.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.705 F(o=-1.3,f=-0.7) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= -0.115 (180deg=-0.329) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0745 USER MOD Single : A 65 LYS NZ :NH3+ -163:sc= -0.097 (180deg=-0.592) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 171:sc= -1.78! (180deg=-2.17!) USER MOD Single : A 73 THR OG1 : rot 160:sc= -0.292 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.184) USER MOD Single : A 82 THR OG1 : rot -80:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 92 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.081) USER MOD Single : A 98 THR OG1 : rot -100:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 108 MET CE :methyl -126:sc= -0.412 (180deg=-1.03) USER MOD Single : A 110 SER OG : rot -76:sc= 1.2 USER MOD Single : B 9 SER OG : rot -117:sc= 1.64 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 0.810 -12.265 -5.336 1.00 0.00 N ATOM 223 CA ILE A 14 1.967 -11.376 -4.917 1.00 0.00 C ATOM 224 C ILE A 14 1.455 -10.036 -4.337 1.00 0.00 C ATOM 225 O ILE A 14 2.060 -9.483 -3.441 1.00 0.00 O ATOM 226 CB ILE A 14 2.813 -11.119 -6.185 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.000 -10.195 -5.856 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.951 -10.450 -7.259 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.871 -10.812 -4.755 1.00 0.00 C ATOM 0 HA ILE A 14 2.557 -11.859 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 14 3.186 -12.076 -6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.599 -10.029 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.632 -9.221 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.553 -10.272 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.114 -11.101 -7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.571 -9.500 -6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.705 -10.146 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.273 -10.954 -3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.255 -11.775 -5.092 1.00 0.00 H new ATOM 241 N GLU A 15 0.336 -9.520 -4.827 1.00 0.00 N ATOM 242 CA GLU A 15 -0.205 -8.223 -4.266 1.00 0.00 C ATOM 243 C GLU A 15 -0.305 -8.320 -2.731 1.00 0.00 C ATOM 244 O GLU A 15 -0.070 -7.356 -2.032 1.00 0.00 O ATOM 245 CB GLU A 15 -1.607 -8.016 -4.872 1.00 0.00 C ATOM 246 CG GLU A 15 -1.539 -6.954 -5.973 1.00 0.00 C ATOM 247 CD GLU A 15 -2.540 -7.296 -7.077 1.00 0.00 C ATOM 248 OE1 GLU A 15 -3.596 -7.816 -6.753 1.00 0.00 O ATOM 249 OE2 GLU A 15 -2.235 -7.030 -8.229 1.00 0.00 O ATOM 0 H GLU A 15 -0.217 -9.933 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 15 0.451 -7.388 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.980 -8.955 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.307 -7.706 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.761 -5.971 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.531 -6.906 -6.384 1.00 0.00 H new ATOM 256 N GLY A 16 -0.636 -9.481 -2.198 1.00 0.00 N ATOM 257 CA GLY A 16 -0.721 -9.617 -0.713 1.00 0.00 C ATOM 258 C GLY A 16 0.688 -9.467 -0.117 1.00 0.00 C ATOM 259 O GLY A 16 0.866 -8.825 0.901 1.00 0.00 O ATOM 0 H GLY A 16 -0.848 -10.327 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.387 -8.858 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.141 -10.587 -0.447 1.00 0.00 H new ATOM 263 N ARG A 17 1.697 -10.045 -0.746 1.00 0.00 N ATOM 264 CA ARG A 17 3.097 -9.909 -0.198 1.00 0.00 C ATOM 265 C ARG A 17 3.492 -8.428 -0.089 1.00 0.00 C ATOM 266 O ARG A 17 4.248 -8.064 0.790 1.00 0.00 O ATOM 267 CB ARG A 17 4.033 -10.634 -1.178 1.00 0.00 C ATOM 268 CG ARG A 17 4.164 -12.102 -0.768 1.00 0.00 C ATOM 269 CD ARG A 17 4.727 -12.912 -1.938 1.00 0.00 C ATOM 270 NE ARG A 17 5.481 -14.029 -1.306 1.00 0.00 N ATOM 271 CZ ARG A 17 5.056 -15.256 -1.431 1.00 0.00 C ATOM 272 NH1 ARG A 17 3.802 -15.539 -1.202 1.00 0.00 N ATOM 273 NH2 ARG A 17 5.885 -16.200 -1.786 1.00 0.00 N ATOM 0 H ARG A 17 1.614 -10.596 -1.601 1.00 0.00 H new ATOM 0 HA ARG A 17 3.163 -10.341 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.641 -10.562 -2.192 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.013 -10.157 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.819 -12.191 0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.191 -12.496 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.929 -13.287 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.377 -12.301 -2.564 1.00 0.00 H new ATOM 0 HE ARG A 17 6.330 -13.835 -0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.155 -14.801 -0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.470 -16.498 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.864 -15.978 -1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.553 -17.160 -1.884 1.00 0.00 H new ATOM 287 N TYR A 18 2.991 -7.562 -0.956 1.00 0.00 N ATOM 288 CA TYR A 18 3.361 -6.100 -0.849 1.00 0.00 C ATOM 289 C TYR A 18 3.088 -5.598 0.579 1.00 0.00 C ATOM 290 O TYR A 18 3.851 -4.817 1.118 1.00 0.00 O ATOM 291 CB TYR A 18 2.474 -5.339 -1.853 1.00 0.00 C ATOM 292 CG TYR A 18 3.189 -5.156 -3.177 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.934 -6.205 -3.738 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.093 -3.932 -3.850 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.581 -6.026 -4.967 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.740 -3.754 -5.078 1.00 0.00 C ATOM 297 CZ TYR A 18 4.485 -4.801 -5.636 1.00 0.00 C ATOM 298 OH TYR A 18 5.122 -4.624 -6.847 1.00 0.00 O ATOM 0 H TYR A 18 2.355 -7.798 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 18 4.418 -5.945 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.544 -5.886 -2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.206 -4.366 -1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.008 -7.151 -3.222 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.519 -3.124 -3.421 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.154 -6.833 -5.398 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.665 -2.809 -5.596 1.00 0.00 H new ATOM 0 HH TYR A 18 4.952 -3.717 -7.176 1.00 0.00 H new ATOM 308 N ALA A 19 2.022 -6.060 1.209 1.00 0.00 N ATOM 309 CA ALA A 19 1.751 -5.611 2.619 1.00 0.00 C ATOM 310 C ALA A 19 2.748 -6.287 3.567 1.00 0.00 C ATOM 311 O ALA A 19 3.239 -5.667 4.491 1.00 0.00 O ATOM 312 CB ALA A 19 0.318 -6.035 2.978 1.00 0.00 C ATOM 0 H ALA A 19 1.344 -6.713 0.817 1.00 0.00 H new ATOM 0 HA ALA A 19 1.859 -4.530 2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.091 -5.723 3.997 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.384 -5.565 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.229 -7.119 2.902 1.00 0.00 H new ATOM 318 N THR A 20 3.064 -7.553 3.348 1.00 0.00 N ATOM 319 CA THR A 20 4.043 -8.230 4.262 1.00 0.00 C ATOM 320 C THR A 20 5.463 -7.727 3.983 1.00 0.00 C ATOM 321 O THR A 20 6.242 -7.557 4.904 1.00 0.00 O ATOM 322 CB THR A 20 3.926 -9.748 4.035 1.00 0.00 C ATOM 323 OG1 THR A 20 3.047 -10.007 2.945 1.00 0.00 O ATOM 324 CG2 THR A 20 3.372 -10.397 5.309 1.00 0.00 C ATOM 0 H THR A 20 2.693 -8.130 2.593 1.00 0.00 H new ATOM 0 HA THR A 20 3.823 -8.000 5.304 1.00 0.00 H new ATOM 0 HB THR A 20 4.907 -10.162 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.977 -10.974 2.804 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.284 -11.473 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.047 -10.199 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.390 -9.980 5.532 1.00 0.00 H new ATOM 332 N ALA A 21 5.805 -7.448 2.743 1.00 0.00 N ATOM 333 CA ALA A 21 7.182 -6.910 2.475 1.00 0.00 C ATOM 334 C ALA A 21 7.269 -5.436 2.920 1.00 0.00 C ATOM 335 O ALA A 21 8.355 -4.909 3.081 1.00 0.00 O ATOM 336 CB ALA A 21 7.434 -7.036 0.963 1.00 0.00 C ATOM 0 H ALA A 21 5.208 -7.565 1.924 1.00 0.00 H new ATOM 0 HA ALA A 21 7.934 -7.467 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.427 -6.654 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.368 -8.084 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.685 -6.459 0.420 1.00 0.00 H new ATOM 342 N LEU A 22 6.149 -4.770 3.153 1.00 0.00 N ATOM 343 CA LEU A 22 6.217 -3.349 3.623 1.00 0.00 C ATOM 344 C LEU A 22 6.022 -3.339 5.134 1.00 0.00 C ATOM 345 O LEU A 22 6.795 -2.733 5.853 1.00 0.00 O ATOM 346 CB LEU A 22 5.079 -2.599 2.918 1.00 0.00 C ATOM 347 CG LEU A 22 5.078 -1.127 3.364 1.00 0.00 C ATOM 348 CD1 LEU A 22 5.674 -0.252 2.260 1.00 0.00 C ATOM 349 CD2 LEU A 22 3.642 -0.677 3.651 1.00 0.00 C ATOM 0 H LEU A 22 5.209 -5.148 3.038 1.00 0.00 H new ATOM 0 HA LEU A 22 7.172 -2.876 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.203 -2.662 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.122 -3.063 3.156 1.00 0.00 H new ATOM 0 HG LEU A 22 5.678 -1.027 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.671 0.790 2.580 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.698 -0.567 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.078 -0.354 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.644 0.366 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.041 -0.782 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.218 -1.295 4.443 1.00 0.00 H new ATOM 361 N TYR A 23 5.022 -4.036 5.632 1.00 0.00 N ATOM 362 CA TYR A 23 4.843 -4.078 7.105 1.00 0.00 C ATOM 363 C TYR A 23 5.962 -4.950 7.732 1.00 0.00 C ATOM 364 O TYR A 23 6.193 -4.861 8.921 1.00 0.00 O ATOM 365 CB TYR A 23 3.390 -4.588 7.375 1.00 0.00 C ATOM 366 CG TYR A 23 3.355 -5.943 8.046 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.789 -6.079 9.363 1.00 0.00 C ATOM 368 CD2 TYR A 23 2.906 -7.056 7.339 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.771 -7.328 9.982 1.00 0.00 C ATOM 370 CE2 TYR A 23 2.890 -8.307 7.947 1.00 0.00 C ATOM 371 CZ TYR A 23 3.320 -8.450 9.273 1.00 0.00 C ATOM 372 OH TYR A 23 3.306 -9.690 9.876 1.00 0.00 O ATOM 0 H TYR A 23 4.340 -4.564 5.087 1.00 0.00 H new ATOM 0 HA TYR A 23 4.942 -3.101 7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.867 -3.865 8.001 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.848 -4.642 6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.140 -5.214 9.906 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.570 -6.948 6.318 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.103 -7.431 11.004 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.546 -9.170 7.396 1.00 0.00 H new ATOM 0 HH TYR A 23 2.890 -10.342 9.274 1.00 0.00 H new ATOM 382 N SER A 24 6.681 -5.775 6.957 1.00 0.00 N ATOM 383 CA SER A 24 7.796 -6.595 7.579 1.00 0.00 C ATOM 384 C SER A 24 8.704 -5.653 8.390 1.00 0.00 C ATOM 385 O SER A 24 9.099 -5.965 9.498 1.00 0.00 O ATOM 386 CB SER A 24 8.578 -7.237 6.425 1.00 0.00 C ATOM 387 OG SER A 24 9.943 -7.370 6.797 1.00 0.00 O ATOM 0 H SER A 24 6.544 -5.908 5.955 1.00 0.00 H new ATOM 0 HA SER A 24 7.413 -7.367 8.247 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.158 -8.214 6.185 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.492 -6.624 5.528 1.00 0.00 H new ATOM 0 HG SER A 24 10.486 -6.741 6.278 1.00 0.00 H new ATOM 393 N ALA A 25 8.970 -4.467 7.870 1.00 0.00 N ATOM 394 CA ALA A 25 9.775 -3.481 8.660 1.00 0.00 C ATOM 395 C ALA A 25 8.866 -2.947 9.776 1.00 0.00 C ATOM 396 O ALA A 25 9.281 -2.812 10.911 1.00 0.00 O ATOM 397 CB ALA A 25 10.176 -2.350 7.697 1.00 0.00 C ATOM 0 H ALA A 25 8.668 -4.149 6.949 1.00 0.00 H new ATOM 0 HA ALA A 25 10.671 -3.919 9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.766 -1.607 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.767 -2.761 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.279 -1.879 7.295 1.00 0.00 H new ATOM 403 N ALA A 26 7.606 -2.666 9.467 1.00 0.00 N ATOM 404 CA ALA A 26 6.659 -2.169 10.535 1.00 0.00 C ATOM 405 C ALA A 26 6.622 -3.167 11.709 1.00 0.00 C ATOM 406 O ALA A 26 6.595 -2.774 12.859 1.00 0.00 O ATOM 407 CB ALA A 26 5.267 -2.081 9.887 1.00 0.00 C ATOM 0 H ALA A 26 7.200 -2.758 8.536 1.00 0.00 H new ATOM 0 HA ALA A 26 6.978 -1.201 10.921 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.545 -1.725 10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.300 -1.388 9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.968 -3.067 9.533 1.00 0.00 H new ATOM 413 N SER A 27 6.629 -4.462 11.429 1.00 0.00 N ATOM 414 CA SER A 27 6.604 -5.477 12.551 1.00 0.00 C ATOM 415 C SER A 27 7.768 -5.204 13.520 1.00 0.00 C ATOM 416 O SER A 27 7.608 -5.284 14.724 1.00 0.00 O ATOM 417 CB SER A 27 6.778 -6.858 11.902 1.00 0.00 C ATOM 418 OG SER A 27 8.111 -6.988 11.425 1.00 0.00 O ATOM 0 H SER A 27 6.651 -4.855 10.488 1.00 0.00 H new ATOM 0 HA SER A 27 5.672 -5.423 13.113 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.560 -7.643 12.626 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.072 -6.978 11.080 1.00 0.00 H new ATOM 0 HG SER A 27 8.147 -6.732 10.480 1.00 0.00 H new ATOM 424 N LYS A 28 8.933 -4.862 13.003 1.00 0.00 N ATOM 425 CA LYS A 28 10.093 -4.563 13.915 1.00 0.00 C ATOM 426 C LYS A 28 9.856 -3.220 14.626 1.00 0.00 C ATOM 427 O LYS A 28 10.180 -3.071 15.789 1.00 0.00 O ATOM 428 CB LYS A 28 11.348 -4.484 13.030 1.00 0.00 C ATOM 429 CG LYS A 28 11.661 -5.870 12.463 1.00 0.00 C ATOM 430 CD LYS A 28 12.303 -5.724 11.082 1.00 0.00 C ATOM 431 CE LYS A 28 13.819 -5.588 11.235 1.00 0.00 C ATOM 432 NZ LYS A 28 14.345 -6.975 11.096 1.00 0.00 N ATOM 0 H LYS A 28 9.128 -4.778 12.005 1.00 0.00 H new ATOM 0 HA LYS A 28 10.208 -5.333 14.678 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.189 -3.775 12.218 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.194 -4.118 13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.333 -6.405 13.133 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.747 -6.460 12.390 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.066 -6.591 10.466 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.899 -4.850 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.235 -4.929 10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.082 -5.161 12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.381 -6.964 11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.936 -7.577 11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.086 -7.353 10.162 1.00 0.00 H new ATOM 446 N GLN A 29 9.281 -2.244 13.946 1.00 0.00 N ATOM 447 CA GLN A 29 9.020 -0.924 14.618 1.00 0.00 C ATOM 448 C GLN A 29 7.636 -0.898 15.308 1.00 0.00 C ATOM 449 O GLN A 29 7.226 0.129 15.815 1.00 0.00 O ATOM 450 CB GLN A 29 9.079 0.138 13.510 1.00 0.00 C ATOM 451 CG GLN A 29 10.540 0.467 13.196 1.00 0.00 C ATOM 452 CD GLN A 29 10.652 0.969 11.752 1.00 0.00 C ATOM 453 OE1 GLN A 29 11.478 0.493 10.998 1.00 0.00 O ATOM 454 NE2 GLN A 29 9.854 1.918 11.325 1.00 0.00 N ATOM 0 H GLN A 29 8.987 -2.304 12.971 1.00 0.00 H new ATOM 0 HA GLN A 29 9.758 -0.741 15.399 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.577 -0.227 12.614 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.552 1.038 13.826 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.909 1.226 13.886 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.161 -0.418 13.334 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.159 2.321 11.953 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.928 2.253 10.364 1.00 0.00 H new ATOM 463 N ASN A 30 6.900 -2.006 15.344 1.00 0.00 N ATOM 464 CA ASN A 30 5.554 -2.011 16.008 1.00 0.00 C ATOM 465 C ASN A 30 4.599 -1.078 15.259 1.00 0.00 C ATOM 466 O ASN A 30 3.839 -0.347 15.866 1.00 0.00 O ATOM 467 CB ASN A 30 5.772 -1.526 17.449 1.00 0.00 C ATOM 468 CG ASN A 30 4.784 -2.235 18.384 1.00 0.00 C ATOM 469 OD1 ASN A 30 4.446 -3.381 18.165 1.00 0.00 O ATOM 470 ND2 ASN A 30 4.301 -1.602 19.425 1.00 0.00 N ATOM 0 H ASN A 30 7.182 -2.899 14.940 1.00 0.00 H new ATOM 0 HA ASN A 30 5.109 -3.006 16.001 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.796 -1.731 17.762 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.632 -0.447 17.506 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.644 -2.072 20.048 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.582 -0.640 19.612 1.00 0.00 H new ATOM 477 N LYS A 31 4.622 -1.103 13.942 1.00 0.00 N ATOM 478 CA LYS A 31 3.699 -0.220 13.165 1.00 0.00 C ATOM 479 C LYS A 31 2.526 -1.022 12.545 1.00 0.00 C ATOM 480 O LYS A 31 1.763 -0.473 11.775 1.00 0.00 O ATOM 481 CB LYS A 31 4.567 0.411 12.071 1.00 0.00 C ATOM 482 CG LYS A 31 5.377 1.565 12.665 1.00 0.00 C ATOM 483 CD LYS A 31 4.476 2.787 12.844 1.00 0.00 C ATOM 484 CE LYS A 31 5.312 3.974 13.325 1.00 0.00 C ATOM 485 NZ LYS A 31 5.336 3.851 14.810 1.00 0.00 N ATOM 0 H LYS A 31 5.236 -1.693 13.380 1.00 0.00 H new ATOM 0 HA LYS A 31 3.238 0.531 13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.237 -0.337 11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.939 0.774 11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.800 1.269 13.625 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.213 1.810 12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.987 3.032 11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.688 2.568 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.319 3.942 12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.869 4.920 13.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.892 4.631 15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.364 3.892 15.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.769 2.944 15.076 1.00 0.00 H new ATOM 499 N LEU A 32 2.353 -2.302 12.881 1.00 0.00 N ATOM 500 CA LEU A 32 1.198 -3.104 12.306 1.00 0.00 C ATOM 501 C LEU A 32 -0.107 -2.299 12.414 1.00 0.00 C ATOM 502 O LEU A 32 -0.904 -2.285 11.496 1.00 0.00 O ATOM 503 CB LEU A 32 1.114 -4.388 13.161 1.00 0.00 C ATOM 504 CG LEU A 32 2.007 -5.498 12.573 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.348 -6.049 11.310 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.405 -4.952 12.237 1.00 0.00 C ATOM 0 H LEU A 32 2.957 -2.817 13.522 1.00 0.00 H new ATOM 0 HA LEU A 32 1.349 -3.336 11.252 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.423 -4.170 14.183 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.081 -4.733 13.207 1.00 0.00 H new ATOM 0 HG LEU A 32 2.120 -6.292 13.311 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.973 -6.835 10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.369 -6.458 11.559 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.231 -5.247 10.581 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.018 -5.752 11.823 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.316 -4.148 11.506 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.873 -4.568 13.143 1.00 0.00 H new ATOM 518 N GLU A 33 -0.300 -1.588 13.504 1.00 0.00 N ATOM 519 CA GLU A 33 -1.536 -0.742 13.619 1.00 0.00 C ATOM 520 C GLU A 33 -1.338 0.510 12.747 1.00 0.00 C ATOM 521 O GLU A 33 -2.242 0.937 12.053 1.00 0.00 O ATOM 522 CB GLU A 33 -1.679 -0.354 15.099 1.00 0.00 C ATOM 523 CG GLU A 33 -1.948 -1.610 15.931 1.00 0.00 C ATOM 524 CD GLU A 33 -2.512 -1.207 17.295 1.00 0.00 C ATOM 525 OE1 GLU A 33 -2.078 -0.193 17.817 1.00 0.00 O ATOM 526 OE2 GLU A 33 -3.367 -1.919 17.795 1.00 0.00 O ATOM 0 H GLU A 33 0.331 -1.556 14.305 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.431 -1.267 13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.771 0.138 15.447 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.495 0.359 15.222 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.653 -2.259 15.412 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.027 -2.178 16.060 1.00 0.00 H new ATOM 533 N GLN A 34 -0.148 1.086 12.756 1.00 0.00 N ATOM 534 CA GLN A 34 0.107 2.297 11.896 1.00 0.00 C ATOM 535 C GLN A 34 -0.029 1.940 10.407 1.00 0.00 C ATOM 536 O GLN A 34 -0.372 2.787 9.604 1.00 0.00 O ATOM 537 CB GLN A 34 1.543 2.757 12.195 1.00 0.00 C ATOM 538 CG GLN A 34 1.703 4.232 11.806 1.00 0.00 C ATOM 539 CD GLN A 34 1.635 5.125 13.057 1.00 0.00 C ATOM 540 OE1 GLN A 34 1.657 4.638 14.171 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.554 6.427 12.922 1.00 0.00 N ATOM 0 H GLN A 34 0.647 0.774 13.314 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.615 3.084 12.113 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.765 2.624 13.254 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.254 2.145 11.640 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.655 4.380 11.297 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.919 4.517 11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.535 6.843 11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.510 7.024 13.748 1.00 0.00 H new ATOM 550 N VAL A 35 0.244 0.707 10.016 1.00 0.00 N ATOM 551 CA VAL A 35 0.125 0.352 8.562 1.00 0.00 C ATOM 552 C VAL A 35 -1.215 -0.360 8.289 1.00 0.00 C ATOM 553 O VAL A 35 -1.839 -0.128 7.272 1.00 0.00 O ATOM 554 CB VAL A 35 1.303 -0.590 8.203 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.635 -0.419 6.720 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.573 -0.288 9.030 1.00 0.00 C ATOM 0 H VAL A 35 0.538 -0.052 10.631 1.00 0.00 H new ATOM 0 HA VAL A 35 0.158 1.256 7.954 1.00 0.00 H new ATOM 0 HB VAL A 35 0.992 -1.610 8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.463 -1.077 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.762 -0.674 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.918 0.616 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.368 -0.975 8.740 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.894 0.737 8.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.355 -0.412 10.091 1.00 0.00 H new ATOM 566 N GLU A 36 -1.663 -1.229 9.175 1.00 0.00 N ATOM 567 CA GLU A 36 -2.970 -1.949 8.926 1.00 0.00 C ATOM 568 C GLU A 36 -4.163 -0.968 8.883 1.00 0.00 C ATOM 569 O GLU A 36 -5.194 -1.288 8.319 1.00 0.00 O ATOM 570 CB GLU A 36 -3.148 -2.946 10.086 1.00 0.00 C ATOM 571 CG GLU A 36 -4.425 -3.771 9.882 1.00 0.00 C ATOM 572 CD GLU A 36 -4.187 -4.834 8.807 1.00 0.00 C ATOM 573 OE1 GLU A 36 -3.925 -4.457 7.676 1.00 0.00 O ATOM 574 OE2 GLU A 36 -4.274 -6.006 9.133 1.00 0.00 O ATOM 0 H GLU A 36 -1.191 -1.470 10.047 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.944 -2.452 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.284 -3.608 10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.201 -2.408 11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.716 -4.246 10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.247 -3.119 9.587 1.00 0.00 H new ATOM 581 N LYS A 37 -4.055 0.213 9.467 1.00 0.00 N ATOM 582 CA LYS A 37 -5.222 1.162 9.434 1.00 0.00 C ATOM 583 C LYS A 37 -5.080 2.163 8.283 1.00 0.00 C ATOM 584 O LYS A 37 -6.039 2.431 7.583 1.00 0.00 O ATOM 585 CB LYS A 37 -5.219 1.888 10.785 1.00 0.00 C ATOM 586 CG LYS A 37 -5.546 0.894 11.901 1.00 0.00 C ATOM 587 CD LYS A 37 -5.362 1.574 13.260 1.00 0.00 C ATOM 588 CE LYS A 37 -6.389 1.019 14.251 1.00 0.00 C ATOM 589 NZ LYS A 37 -7.582 1.897 14.098 1.00 0.00 N ATOM 0 H LYS A 37 -3.226 0.553 9.955 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.158 0.628 9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.245 2.343 10.963 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.951 2.696 10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.571 0.538 11.796 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.896 0.022 11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.352 1.401 13.631 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.484 2.652 13.159 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.632 -0.020 14.028 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.007 1.045 15.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.332 1.580 14.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.322 2.878 14.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.927 1.846 13.118 1.00 0.00 H new ATOM 603 N GLU A 38 -3.906 2.719 8.068 1.00 0.00 N ATOM 604 CA GLU A 38 -3.758 3.693 6.939 1.00 0.00 C ATOM 605 C GLU A 38 -3.956 2.964 5.600 1.00 0.00 C ATOM 606 O GLU A 38 -4.553 3.502 4.686 1.00 0.00 O ATOM 607 CB GLU A 38 -2.344 4.269 7.054 1.00 0.00 C ATOM 608 CG GLU A 38 -2.187 4.974 8.410 1.00 0.00 C ATOM 609 CD GLU A 38 -2.235 6.491 8.215 1.00 0.00 C ATOM 610 OE1 GLU A 38 -3.071 6.945 7.452 1.00 0.00 O ATOM 611 OE2 GLU A 38 -1.436 7.174 8.834 1.00 0.00 O ATOM 0 H GLU A 38 -3.062 2.544 8.614 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.500 4.490 6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.606 3.472 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.159 4.973 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.981 4.660 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.242 4.687 8.872 1.00 0.00 H new ATOM 618 N LEU A 39 -3.483 1.734 5.476 1.00 0.00 N ATOM 619 CA LEU A 39 -3.688 0.982 4.178 1.00 0.00 C ATOM 620 C LEU A 39 -5.188 0.930 3.839 1.00 0.00 C ATOM 621 O LEU A 39 -5.566 1.036 2.687 1.00 0.00 O ATOM 622 CB LEU A 39 -3.150 -0.451 4.387 1.00 0.00 C ATOM 623 CG LEU A 39 -1.816 -0.614 3.656 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.770 0.319 4.272 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.344 -2.066 3.782 1.00 0.00 C ATOM 0 H LEU A 39 -2.974 1.227 6.200 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.166 1.475 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.019 -0.649 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.871 -1.178 4.014 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.946 -0.361 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.178 0.199 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.106 1.352 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.636 0.071 5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.393 -2.186 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.216 -2.317 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.086 -2.730 3.339 1.00 0.00 H new ATOM 637 N LEU A 40 -6.051 0.779 4.831 1.00 0.00 N ATOM 638 CA LEU A 40 -7.531 0.736 4.532 1.00 0.00 C ATOM 639 C LEU A 40 -7.952 1.995 3.749 1.00 0.00 C ATOM 640 O LEU A 40 -8.810 1.931 2.889 1.00 0.00 O ATOM 641 CB LEU A 40 -8.255 0.694 5.888 1.00 0.00 C ATOM 642 CG LEU A 40 -8.423 -0.761 6.330 1.00 0.00 C ATOM 643 CD1 LEU A 40 -8.707 -0.809 7.832 1.00 0.00 C ATOM 644 CD2 LEU A 40 -9.592 -1.392 5.571 1.00 0.00 C ATOM 0 H LEU A 40 -5.801 0.685 5.815 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.782 -0.133 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.686 1.249 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.229 1.176 5.807 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.508 -1.313 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.827 -1.846 8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.875 -0.359 8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.622 -0.257 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.713 -2.429 5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.506 -0.839 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.391 -1.358 4.500 1.00 0.00 H new ATOM 656 N ARG A 41 -7.353 3.140 4.031 1.00 0.00 N ATOM 657 CA ARG A 41 -7.738 4.390 3.277 1.00 0.00 C ATOM 658 C ARG A 41 -7.520 4.181 1.769 1.00 0.00 C ATOM 659 O ARG A 41 -8.327 4.605 0.963 1.00 0.00 O ATOM 660 CB ARG A 41 -6.827 5.517 3.791 1.00 0.00 C ATOM 661 CG ARG A 41 -7.275 5.936 5.193 1.00 0.00 C ATOM 662 CD ARG A 41 -6.757 7.344 5.496 1.00 0.00 C ATOM 663 NE ARG A 41 -7.239 7.643 6.872 1.00 0.00 N ATOM 664 CZ ARG A 41 -8.141 8.566 7.062 1.00 0.00 C ATOM 665 NH1 ARG A 41 -7.807 9.827 7.005 1.00 0.00 N ATOM 666 NH2 ARG A 41 -9.378 8.231 7.308 1.00 0.00 N ATOM 0 H ARG A 41 -6.627 3.262 4.737 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.789 4.635 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.791 5.179 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.869 6.370 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.363 5.915 5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.897 5.231 5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.669 7.385 5.441 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.140 8.069 4.777 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.864 7.126 7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.841 10.090 6.812 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.512 10.549 7.154 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.641 7.246 7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.082 8.954 7.456 1.00 0.00 H new ATOM 680 N VAL A 42 -6.443 3.522 1.379 1.00 0.00 N ATOM 681 CA VAL A 42 -6.206 3.291 -0.093 1.00 0.00 C ATOM 682 C VAL A 42 -7.371 2.472 -0.679 1.00 0.00 C ATOM 683 O VAL A 42 -7.807 2.723 -1.786 1.00 0.00 O ATOM 684 CB VAL A 42 -4.876 2.519 -0.210 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.568 2.218 -1.683 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.745 3.370 0.374 1.00 0.00 C ATOM 0 H VAL A 42 -5.731 3.141 2.002 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.151 4.228 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.960 1.581 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.627 1.673 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.370 1.614 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.488 3.154 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.803 2.828 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.673 4.307 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.953 3.582 1.423 1.00 0.00 H new ATOM 696 N GLY A 43 -7.883 1.501 0.053 1.00 0.00 N ATOM 697 CA GLY A 43 -9.020 0.690 -0.474 1.00 0.00 C ATOM 698 C GLY A 43 -10.251 1.593 -0.635 1.00 0.00 C ATOM 699 O GLY A 43 -10.892 1.590 -1.670 1.00 0.00 O ATOM 0 H GLY A 43 -7.560 1.242 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.752 0.246 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.243 -0.131 0.207 1.00 0.00 H new ATOM 703 N GLN A 44 -10.584 2.376 0.374 1.00 0.00 N ATOM 704 CA GLN A 44 -11.783 3.286 0.250 1.00 0.00 C ATOM 705 C GLN A 44 -11.593 4.247 -0.937 1.00 0.00 C ATOM 706 O GLN A 44 -12.534 4.551 -1.645 1.00 0.00 O ATOM 707 CB GLN A 44 -11.876 4.081 1.563 1.00 0.00 C ATOM 708 CG GLN A 44 -13.158 4.914 1.564 1.00 0.00 C ATOM 709 CD GLN A 44 -13.417 5.452 2.977 1.00 0.00 C ATOM 710 OE1 GLN A 44 -13.214 4.750 3.948 1.00 0.00 O ATOM 711 NE2 GLN A 44 -13.860 6.675 3.140 1.00 0.00 N ATOM 0 H GLN A 44 -10.088 2.426 1.264 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.694 2.713 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.871 3.400 2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.007 4.731 1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.068 5.741 0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.000 4.305 1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -14.032 7.268 2.328 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.033 7.034 4.079 1.00 0.00 H new ATOM 720 N ILE A 45 -10.382 4.726 -1.169 1.00 0.00 N ATOM 721 CA ILE A 45 -10.157 5.667 -2.331 1.00 0.00 C ATOM 722 C ILE A 45 -10.579 4.975 -3.636 1.00 0.00 C ATOM 723 O ILE A 45 -11.206 5.587 -4.481 1.00 0.00 O ATOM 724 CB ILE A 45 -8.645 6.001 -2.328 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.310 6.811 -1.071 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.260 6.830 -3.562 1.00 0.00 C ATOM 727 CD1 ILE A 45 -6.833 6.627 -0.710 1.00 0.00 C ATOM 0 H ILE A 45 -9.553 4.511 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.746 6.580 -2.247 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.088 5.064 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.523 7.866 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.939 6.488 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.193 7.050 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.491 6.266 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.823 7.763 -3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.602 7.206 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.633 5.572 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.211 6.972 -1.536 1.00 0.00 H new ATOM 739 N LEU A 46 -10.273 3.705 -3.799 1.00 0.00 N ATOM 740 CA LEU A 46 -10.708 3.006 -5.054 1.00 0.00 C ATOM 741 C LEU A 46 -12.195 2.615 -4.955 1.00 0.00 C ATOM 742 O LEU A 46 -12.872 2.521 -5.961 1.00 0.00 O ATOM 743 CB LEU A 46 -9.832 1.753 -5.209 1.00 0.00 C ATOM 744 CG LEU A 46 -10.210 1.017 -6.503 1.00 0.00 C ATOM 745 CD1 LEU A 46 -10.030 1.946 -7.711 1.00 0.00 C ATOM 746 CD2 LEU A 46 -9.315 -0.211 -6.666 1.00 0.00 C ATOM 0 H LEU A 46 -9.753 3.134 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.594 3.659 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.779 2.034 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.967 1.094 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.254 0.708 -6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.301 1.414 -8.623 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.671 2.820 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.990 2.265 -7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.581 -0.736 -7.584 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.272 0.103 -6.716 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.453 -0.877 -5.814 1.00 0.00 H new ATOM 758 N LYS A 47 -12.724 2.415 -3.759 1.00 0.00 N ATOM 759 CA LYS A 47 -14.179 2.067 -3.645 1.00 0.00 C ATOM 760 C LYS A 47 -15.014 3.321 -3.936 1.00 0.00 C ATOM 761 O LYS A 47 -16.112 3.225 -4.453 1.00 0.00 O ATOM 762 CB LYS A 47 -14.415 1.587 -2.204 1.00 0.00 C ATOM 763 CG LYS A 47 -15.644 0.677 -2.165 1.00 0.00 C ATOM 764 CD LYS A 47 -16.886 1.509 -1.840 1.00 0.00 C ATOM 765 CE LYS A 47 -17.007 1.677 -0.324 1.00 0.00 C ATOM 766 NZ LYS A 47 -18.471 1.654 -0.050 1.00 0.00 N ATOM 0 H LYS A 47 -12.217 2.477 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.466 1.290 -4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.539 1.049 -1.840 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -14.561 2.442 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.770 0.177 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.509 -0.102 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.818 2.485 -2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.777 1.021 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.494 0.874 0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.558 2.614 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.635 1.764 0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.932 2.434 -0.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.870 0.748 -0.369 1.00 0.00 H new ATOM 780 N GLU A 48 -14.509 4.507 -3.615 1.00 0.00 N ATOM 781 CA GLU A 48 -15.308 5.750 -3.897 1.00 0.00 C ATOM 782 C GLU A 48 -15.697 5.802 -5.390 1.00 0.00 C ATOM 783 O GLU A 48 -14.876 5.522 -6.240 1.00 0.00 O ATOM 784 CB GLU A 48 -14.402 6.940 -3.545 1.00 0.00 C ATOM 785 CG GLU A 48 -14.624 7.338 -2.084 1.00 0.00 C ATOM 786 CD GLU A 48 -14.220 8.800 -1.886 1.00 0.00 C ATOM 787 OE1 GLU A 48 -13.256 9.218 -2.506 1.00 0.00 O ATOM 788 OE2 GLU A 48 -14.883 9.478 -1.118 1.00 0.00 O ATOM 0 H GLU A 48 -13.599 4.659 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.229 5.769 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.357 6.675 -3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.621 7.783 -4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.671 7.199 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -14.037 6.695 -1.428 1.00 0.00 H new ATOM 795 N PRO A 49 -16.938 6.145 -5.674 1.00 0.00 N ATOM 796 CA PRO A 49 -17.397 6.205 -7.088 1.00 0.00 C ATOM 797 C PRO A 49 -16.785 7.410 -7.825 1.00 0.00 C ATOM 798 O PRO A 49 -16.473 7.319 -8.999 1.00 0.00 O ATOM 799 CB PRO A 49 -18.911 6.352 -6.971 1.00 0.00 C ATOM 800 CG PRO A 49 -19.137 6.968 -5.629 1.00 0.00 C ATOM 801 CD PRO A 49 -18.016 6.506 -4.736 1.00 0.00 C ATOM 0 HA PRO A 49 -17.098 5.328 -7.661 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.309 6.982 -7.767 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.409 5.386 -7.051 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.149 8.056 -5.701 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.102 6.665 -5.224 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.702 7.293 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.317 5.654 -4.126 1.00 0.00 H new ATOM 809 N LYS A 50 -16.588 8.527 -7.154 1.00 0.00 N ATOM 810 CA LYS A 50 -15.968 9.710 -7.851 1.00 0.00 C ATOM 811 C LYS A 50 -14.450 9.498 -7.940 1.00 0.00 C ATOM 812 O LYS A 50 -13.824 9.857 -8.919 1.00 0.00 O ATOM 813 CB LYS A 50 -16.290 10.947 -6.998 1.00 0.00 C ATOM 814 CG LYS A 50 -16.446 12.168 -7.906 1.00 0.00 C ATOM 815 CD LYS A 50 -16.778 13.396 -7.058 1.00 0.00 C ATOM 816 CE LYS A 50 -18.297 13.522 -6.915 1.00 0.00 C ATOM 817 NZ LYS A 50 -18.709 14.451 -8.003 1.00 0.00 N ATOM 0 H LYS A 50 -16.824 8.671 -6.172 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.355 9.835 -8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.207 10.782 -6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -15.494 11.119 -6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.526 12.338 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -17.236 11.993 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -16.316 13.308 -6.075 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -16.370 14.293 -7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.785 12.553 -7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.570 13.915 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.739 14.588 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.234 15.367 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.442 14.048 -8.924 1.00 0.00 H new ATOM 831 N MET A 51 -13.855 8.896 -6.928 1.00 0.00 N ATOM 832 CA MET A 51 -12.377 8.641 -6.965 1.00 0.00 C ATOM 833 C MET A 51 -12.071 7.367 -7.779 1.00 0.00 C ATOM 834 O MET A 51 -11.024 7.266 -8.391 1.00 0.00 O ATOM 835 CB MET A 51 -11.951 8.467 -5.502 1.00 0.00 C ATOM 836 CG MET A 51 -10.432 8.421 -5.407 1.00 0.00 C ATOM 837 SD MET A 51 -9.735 10.024 -5.876 1.00 0.00 S ATOM 838 CE MET A 51 -8.805 9.447 -7.316 1.00 0.00 C ATOM 0 H MET A 51 -14.329 8.573 -6.084 1.00 0.00 H new ATOM 0 HA MET A 51 -11.837 9.458 -7.444 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.337 9.291 -4.901 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.377 7.550 -5.097 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.130 8.167 -4.391 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.042 7.640 -6.060 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.522 10.300 -7.932 1.00 0.00 H new ATOM 0 HE2 MET A 51 -7.907 8.925 -6.984 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.425 8.767 -7.901 1.00 0.00 H new ATOM 848 N ALA A 52 -12.967 6.392 -7.802 1.00 0.00 N ATOM 849 CA ALA A 52 -12.690 5.139 -8.598 1.00 0.00 C ATOM 850 C ALA A 52 -12.421 5.487 -10.075 1.00 0.00 C ATOM 851 O ALA A 52 -11.591 4.871 -10.716 1.00 0.00 O ATOM 852 CB ALA A 52 -13.949 4.262 -8.493 1.00 0.00 C ATOM 0 H ALA A 52 -13.862 6.409 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.811 4.623 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.798 3.340 -9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.139 4.023 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.803 4.801 -8.903 1.00 0.00 H new ATOM 858 N ALA A 53 -13.122 6.460 -10.624 1.00 0.00 N ATOM 859 CA ALA A 53 -12.897 6.823 -12.073 1.00 0.00 C ATOM 860 C ALA A 53 -11.452 7.303 -12.315 1.00 0.00 C ATOM 861 O ALA A 53 -10.928 7.136 -13.401 1.00 0.00 O ATOM 862 CB ALA A 53 -13.884 7.955 -12.402 1.00 0.00 C ATOM 0 H ALA A 53 -13.831 7.013 -10.141 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.055 5.951 -12.708 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.761 8.254 -13.443 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.904 7.606 -12.243 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.688 8.809 -11.753 1.00 0.00 H new ATOM 868 N SER A 54 -10.802 7.906 -11.336 1.00 0.00 N ATOM 869 CA SER A 54 -9.393 8.390 -11.568 1.00 0.00 C ATOM 870 C SER A 54 -8.379 7.272 -11.285 1.00 0.00 C ATOM 871 O SER A 54 -7.407 7.128 -12.004 1.00 0.00 O ATOM 872 CB SER A 54 -9.176 9.569 -10.608 1.00 0.00 C ATOM 873 OG SER A 54 -8.570 10.643 -11.315 1.00 0.00 O ATOM 0 H SER A 54 -11.178 8.081 -10.404 1.00 0.00 H new ATOM 0 HA SER A 54 -9.250 8.693 -12.605 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.128 9.888 -10.184 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.543 9.263 -9.775 1.00 0.00 H new ATOM 0 HG SER A 54 -8.431 11.398 -10.706 1.00 0.00 H new ATOM 879 N LEU A 55 -8.585 6.475 -10.254 1.00 0.00 N ATOM 880 CA LEU A 55 -7.598 5.367 -9.964 1.00 0.00 C ATOM 881 C LEU A 55 -7.444 4.459 -11.197 1.00 0.00 C ATOM 882 O LEU A 55 -6.363 3.974 -11.478 1.00 0.00 O ATOM 883 CB LEU A 55 -8.151 4.558 -8.778 1.00 0.00 C ATOM 884 CG LEU A 55 -7.470 5.020 -7.488 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.197 6.246 -6.937 1.00 0.00 C ATOM 886 CD2 LEU A 55 -7.518 3.896 -6.452 1.00 0.00 C ATOM 0 H LEU A 55 -9.375 6.538 -9.612 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.617 5.779 -9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.230 4.694 -8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.974 3.494 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.432 5.276 -7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.711 6.575 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.164 7.050 -7.672 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.235 5.989 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.033 4.227 -5.534 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.556 3.639 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.999 3.020 -6.841 1.00 0.00 H new ATOM 898 N LEU A 56 -8.509 4.230 -11.941 1.00 0.00 N ATOM 899 CA LEU A 56 -8.401 3.363 -13.152 1.00 0.00 C ATOM 900 C LEU A 56 -8.686 4.179 -14.421 1.00 0.00 C ATOM 901 O LEU A 56 -9.350 3.705 -15.325 1.00 0.00 O ATOM 902 CB LEU A 56 -9.463 2.278 -12.965 1.00 0.00 C ATOM 903 CG LEU A 56 -8.942 0.949 -13.521 1.00 0.00 C ATOM 904 CD1 LEU A 56 -9.955 -0.159 -13.224 1.00 0.00 C ATOM 905 CD2 LEU A 56 -8.748 1.064 -15.036 1.00 0.00 C ATOM 0 H LEU A 56 -9.439 4.606 -11.758 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.402 2.941 -13.264 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.706 2.171 -11.908 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.382 2.563 -13.477 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.988 0.711 -13.050 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.586 -1.105 -13.619 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.094 -0.245 -12.146 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.908 0.083 -13.695 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.377 0.117 -15.428 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.701 1.304 -15.508 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.027 1.853 -15.252 1.00 0.00 H new ATOM 917 N ASN A 57 -8.190 5.399 -14.510 1.00 0.00 N ATOM 918 CA ASN A 57 -8.443 6.209 -15.737 1.00 0.00 C ATOM 919 C ASN A 57 -7.208 6.176 -16.649 1.00 0.00 C ATOM 920 O ASN A 57 -6.151 6.626 -16.255 1.00 0.00 O ATOM 921 CB ASN A 57 -8.705 7.641 -15.245 1.00 0.00 C ATOM 922 CG ASN A 57 -9.928 8.222 -15.968 1.00 0.00 C ATOM 923 OD1 ASN A 57 -11.065 7.570 -15.957 1.00 0.00 O flip ATOM 924 ND2 ASN A 57 -9.849 9.286 -16.550 1.00 0.00 N flip ATOM 0 H ASN A 57 -7.629 5.857 -13.792 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.285 5.824 -16.312 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.874 7.640 -14.168 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.831 8.265 -15.430 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.966 9.797 -16.561 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.665 9.668 -17.027 1.00 0.00 H new ATOM 931 N PRO A 58 -7.375 5.679 -17.864 1.00 0.00 N ATOM 932 CA PRO A 58 -6.242 5.653 -18.820 1.00 0.00 C ATOM 933 C PRO A 58 -6.077 7.015 -19.547 1.00 0.00 C ATOM 934 O PRO A 58 -5.323 7.115 -20.495 1.00 0.00 O ATOM 935 CB PRO A 58 -6.645 4.571 -19.817 1.00 0.00 C ATOM 936 CG PRO A 58 -8.142 4.509 -19.767 1.00 0.00 C ATOM 937 CD PRO A 58 -8.593 5.098 -18.452 1.00 0.00 C ATOM 0 HA PRO A 58 -5.289 5.461 -18.327 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -6.297 4.814 -20.821 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.204 3.610 -19.551 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.574 5.063 -20.600 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.483 3.478 -19.859 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.361 5.857 -18.601 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.021 4.334 -17.802 1.00 0.00 H new ATOM 945 N TYR A 59 -6.764 8.064 -19.118 1.00 0.00 N ATOM 946 CA TYR A 59 -6.626 9.393 -19.794 1.00 0.00 C ATOM 947 C TYR A 59 -5.555 10.257 -19.097 1.00 0.00 C ATOM 948 O TYR A 59 -4.973 11.127 -19.718 1.00 0.00 O ATOM 949 CB TYR A 59 -8.006 10.049 -19.663 1.00 0.00 C ATOM 950 CG TYR A 59 -8.950 9.430 -20.667 1.00 0.00 C ATOM 951 CD1 TYR A 59 -9.358 8.097 -20.515 1.00 0.00 C ATOM 952 CD2 TYR A 59 -9.414 10.185 -21.750 1.00 0.00 C ATOM 953 CE1 TYR A 59 -10.230 7.522 -21.446 1.00 0.00 C ATOM 954 CE2 TYR A 59 -10.287 9.609 -22.681 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.695 8.278 -22.530 1.00 0.00 C ATOM 956 OH TYR A 59 -11.554 7.711 -23.448 1.00 0.00 O ATOM 0 H TYR A 59 -7.411 8.048 -18.330 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.313 9.288 -20.833 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.391 9.913 -18.652 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.929 11.123 -19.833 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.999 7.514 -19.679 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.099 11.211 -21.868 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.545 6.495 -21.329 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.646 10.192 -23.516 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.781 8.372 -24.136 1.00 0.00 H new ATOM 966 N VAL A 60 -5.284 10.039 -17.818 1.00 0.00 N ATOM 967 CA VAL A 60 -4.243 10.881 -17.130 1.00 0.00 C ATOM 968 C VAL A 60 -2.887 10.146 -17.048 1.00 0.00 C ATOM 969 O VAL A 60 -2.139 10.337 -16.108 1.00 0.00 O ATOM 970 CB VAL A 60 -4.787 11.183 -15.717 1.00 0.00 C ATOM 971 CG1 VAL A 60 -6.158 11.858 -15.830 1.00 0.00 C ATOM 972 CG2 VAL A 60 -4.917 9.886 -14.897 1.00 0.00 C ATOM 0 H VAL A 60 -5.730 9.330 -17.236 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.062 11.799 -17.689 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.089 11.848 -15.209 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.542 12.071 -14.832 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.060 12.789 -16.388 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.849 11.194 -16.350 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.302 10.120 -13.904 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.602 9.204 -15.401 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.939 9.414 -14.805 1.00 0.00 H new ATOM 982 N LYS A 61 -2.550 9.320 -18.025 1.00 0.00 N ATOM 983 CA LYS A 61 -1.235 8.595 -17.998 1.00 0.00 C ATOM 984 C LYS A 61 -0.996 7.911 -16.637 1.00 0.00 C ATOM 985 O LYS A 61 -1.870 7.881 -15.792 1.00 0.00 O ATOM 986 CB LYS A 61 -0.182 9.681 -18.241 1.00 0.00 C ATOM 987 CG LYS A 61 0.876 9.164 -19.219 1.00 0.00 C ATOM 988 CD LYS A 61 0.509 9.593 -20.643 1.00 0.00 C ATOM 989 CE LYS A 61 0.595 11.120 -20.766 1.00 0.00 C ATOM 990 NZ LYS A 61 -0.792 11.566 -21.076 1.00 0.00 N ATOM 0 H LYS A 61 -3.133 9.120 -18.838 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.200 7.803 -18.746 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.656 10.577 -18.643 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.287 9.964 -17.299 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.857 9.557 -18.951 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.941 8.077 -19.160 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.183 9.123 -21.359 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.499 9.256 -20.886 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.956 11.570 -19.841 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.288 11.413 -21.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.897 12.571 -20.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.979 11.438 -22.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.470 11.001 -20.525 1.00 0.00 H new ATOM 1004 N ARG A 62 0.187 7.372 -16.417 1.00 0.00 N ATOM 1005 CA ARG A 62 0.477 6.707 -15.106 1.00 0.00 C ATOM 1006 C ARG A 62 1.398 7.602 -14.264 1.00 0.00 C ATOM 1007 O ARG A 62 1.093 7.911 -13.128 1.00 0.00 O ATOM 1008 CB ARG A 62 1.175 5.388 -15.451 1.00 0.00 C ATOM 1009 CG ARG A 62 1.450 4.606 -14.163 1.00 0.00 C ATOM 1010 CD ARG A 62 2.607 3.630 -14.389 1.00 0.00 C ATOM 1011 NE ARG A 62 3.803 4.489 -14.607 1.00 0.00 N ATOM 1012 CZ ARG A 62 4.516 4.886 -13.588 1.00 0.00 C ATOM 1013 NH1 ARG A 62 4.160 5.946 -12.915 1.00 0.00 N ATOM 1014 NH2 ARG A 62 5.586 4.223 -13.242 1.00 0.00 N ATOM 0 H ARG A 62 0.957 7.366 -17.086 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.429 6.533 -14.526 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.550 4.798 -16.122 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.109 5.585 -15.977 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.695 5.294 -13.354 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.556 4.061 -13.859 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.744 2.975 -13.529 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.420 2.989 -15.251 1.00 0.00 H new ATOM 0 HE ARG A 62 4.065 4.767 -15.553 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.324 6.465 -13.185 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.717 6.256 -12.119 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.865 3.395 -13.768 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.143 4.533 -12.446 1.00 0.00 H new ATOM 1028 N SER A 63 2.521 8.035 -14.812 1.00 0.00 N ATOM 1029 CA SER A 63 3.444 8.928 -14.016 1.00 0.00 C ATOM 1030 C SER A 63 2.678 10.177 -13.549 1.00 0.00 C ATOM 1031 O SER A 63 2.832 10.616 -12.425 1.00 0.00 O ATOM 1032 CB SER A 63 4.591 9.332 -14.955 1.00 0.00 C ATOM 1033 OG SER A 63 4.072 10.109 -16.026 1.00 0.00 O ATOM 0 H SER A 63 2.834 7.814 -15.757 1.00 0.00 H new ATOM 0 HA SER A 63 3.827 8.416 -13.133 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.341 9.903 -14.407 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.088 8.443 -15.343 1.00 0.00 H new ATOM 0 HG SER A 63 4.802 10.369 -16.625 1.00 0.00 H new ATOM 1039 N VAL A 64 1.842 10.744 -14.398 1.00 0.00 N ATOM 1040 CA VAL A 64 1.059 11.958 -13.971 1.00 0.00 C ATOM 1041 C VAL A 64 0.116 11.571 -12.821 1.00 0.00 C ATOM 1042 O VAL A 64 -0.018 12.300 -11.855 1.00 0.00 O ATOM 1043 CB VAL A 64 0.253 12.419 -15.200 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -0.586 13.647 -14.840 1.00 0.00 C ATOM 1045 CG2 VAL A 64 1.218 12.779 -16.332 1.00 0.00 C ATOM 0 H VAL A 64 1.670 10.425 -15.352 1.00 0.00 H new ATOM 0 HA VAL A 64 1.710 12.758 -13.620 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.408 11.613 -15.520 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.154 13.968 -15.713 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.274 13.394 -14.033 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.071 14.455 -14.517 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.651 13.106 -17.204 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.878 13.583 -16.006 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.814 11.905 -16.594 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.531 10.424 -12.907 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.455 10.005 -11.791 1.00 0.00 C ATOM 1057 C LYS A 65 -0.665 9.874 -10.477 1.00 0.00 C ATOM 1058 O LYS A 65 -1.163 10.215 -9.421 1.00 0.00 O ATOM 1059 CB LYS A 65 -2.045 8.642 -12.190 1.00 0.00 C ATOM 1060 CG LYS A 65 -3.429 8.480 -11.560 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.288 7.855 -10.170 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.540 8.157 -9.344 1.00 0.00 C ATOM 1063 NZ LYS A 65 -4.489 7.200 -8.203 1.00 0.00 N ATOM 0 H LYS A 65 -0.462 9.770 -13.687 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.243 10.742 -11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.117 8.569 -13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.387 7.838 -11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.922 9.449 -11.486 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.056 7.851 -12.191 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.148 6.778 -10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.405 8.252 -9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.542 9.189 -8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.446 8.019 -9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.428 7.138 -7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.208 6.261 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.796 7.532 -7.502 1.00 0.00 H new ATOM 1077 N VAL A 66 0.565 9.389 -10.527 1.00 0.00 N ATOM 1078 CA VAL A 66 1.367 9.256 -9.256 1.00 0.00 C ATOM 1079 C VAL A 66 1.504 10.633 -8.580 1.00 0.00 C ATOM 1080 O VAL A 66 1.431 10.738 -7.370 1.00 0.00 O ATOM 1081 CB VAL A 66 2.753 8.709 -9.655 1.00 0.00 C ATOM 1082 CG1 VAL A 66 3.645 8.588 -8.414 1.00 0.00 C ATOM 1083 CG2 VAL A 66 2.593 7.325 -10.300 1.00 0.00 C ATOM 0 H VAL A 66 1.040 9.085 -11.377 1.00 0.00 H new ATOM 0 HA VAL A 66 0.880 8.585 -8.548 1.00 0.00 H new ATOM 0 HB VAL A 66 3.214 9.395 -10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.622 8.201 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.765 9.569 -7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.183 7.907 -7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.573 6.939 -10.582 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.126 6.644 -9.589 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.967 7.408 -11.188 1.00 0.00 H new ATOM 1093 N LYS A 67 1.697 11.692 -9.348 1.00 0.00 N ATOM 1094 CA LYS A 67 1.828 13.056 -8.714 1.00 0.00 C ATOM 1095 C LYS A 67 0.564 13.374 -7.898 1.00 0.00 C ATOM 1096 O LYS A 67 0.648 13.912 -6.810 1.00 0.00 O ATOM 1097 CB LYS A 67 1.983 14.067 -9.862 1.00 0.00 C ATOM 1098 CG LYS A 67 2.588 15.365 -9.322 1.00 0.00 C ATOM 1099 CD LYS A 67 2.042 16.552 -10.116 1.00 0.00 C ATOM 1100 CE LYS A 67 2.841 17.810 -9.770 1.00 0.00 C ATOM 1101 NZ LYS A 67 2.659 18.714 -10.939 1.00 0.00 N ATOM 0 H LYS A 67 1.768 11.673 -10.365 1.00 0.00 H new ATOM 0 HA LYS A 67 2.684 13.097 -8.040 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.622 13.653 -10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.013 14.267 -10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.347 15.479 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.675 15.332 -9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.108 16.349 -11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.988 16.703 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.474 18.271 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.894 17.578 -9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.178 19.600 -10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.024 18.251 -11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.648 18.923 -11.062 1.00 0.00 H new ATOM 1115 N SER A 68 -0.605 13.037 -8.407 1.00 0.00 N ATOM 1116 CA SER A 68 -1.864 13.324 -7.630 1.00 0.00 C ATOM 1117 C SER A 68 -1.836 12.555 -6.298 1.00 0.00 C ATOM 1118 O SER A 68 -2.239 13.075 -5.274 1.00 0.00 O ATOM 1119 CB SER A 68 -3.040 12.844 -8.493 1.00 0.00 C ATOM 1120 OG SER A 68 -2.834 13.256 -9.838 1.00 0.00 O ATOM 0 H SER A 68 -0.742 12.584 -9.310 1.00 0.00 H new ATOM 0 HA SER A 68 -1.957 14.387 -7.406 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.124 11.758 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.976 13.255 -8.114 1.00 0.00 H new ATOM 0 HG SER A 68 -3.582 12.950 -10.392 1.00 0.00 H new ATOM 1126 N LEU A 69 -1.362 11.322 -6.298 1.00 0.00 N ATOM 1127 CA LEU A 69 -1.316 10.541 -5.007 1.00 0.00 C ATOM 1128 C LEU A 69 -0.445 11.282 -3.980 1.00 0.00 C ATOM 1129 O LEU A 69 -0.800 11.377 -2.820 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.698 9.173 -5.336 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.769 8.261 -5.937 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -1.119 7.299 -6.933 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -2.442 7.460 -4.820 1.00 0.00 C ATOM 0 H LEU A 69 -1.011 10.830 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.313 10.425 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.127 9.294 -6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.286 8.722 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.516 8.867 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.882 6.649 -7.362 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.639 7.869 -7.729 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.373 6.693 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.205 6.810 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.696 6.854 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.905 8.145 -4.109 1.00 0.00 H new ATOM 1145 N SER A 70 0.688 11.817 -4.395 1.00 0.00 N ATOM 1146 CA SER A 70 1.561 12.558 -3.413 1.00 0.00 C ATOM 1147 C SER A 70 0.791 13.761 -2.846 1.00 0.00 C ATOM 1148 O SER A 70 0.844 14.029 -1.660 1.00 0.00 O ATOM 1149 CB SER A 70 2.798 13.037 -4.188 1.00 0.00 C ATOM 1150 OG SER A 70 3.591 13.861 -3.343 1.00 0.00 O ATOM 0 H SER A 70 1.041 11.775 -5.351 1.00 0.00 H new ATOM 0 HA SER A 70 1.852 11.919 -2.580 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.380 12.182 -4.532 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.493 13.592 -5.075 1.00 0.00 H new ATOM 0 HG SER A 70 4.382 14.167 -3.834 1.00 0.00 H new ATOM 1156 N ASP A 71 0.063 14.480 -3.678 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.721 15.657 -3.153 1.00 0.00 C ATOM 1158 C ASP A 71 -1.887 15.191 -2.254 1.00 0.00 C ATOM 1159 O ASP A 71 -2.407 15.973 -1.479 1.00 0.00 O ATOM 1160 CB ASP A 71 -1.263 16.411 -4.378 1.00 0.00 C ATOM 1161 CG ASP A 71 -1.402 17.898 -4.042 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -1.945 18.199 -2.991 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -0.963 18.709 -4.840 1.00 0.00 O ATOM 0 H ASP A 71 -0.023 14.308 -4.680 1.00 0.00 H new ATOM 0 HA ASP A 71 -0.084 16.298 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.590 16.280 -5.226 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.230 16.002 -4.672 1.00 0.00 H new ATOM 1168 N MET A 72 -2.284 13.931 -2.314 1.00 0.00 N ATOM 1169 CA MET A 72 -3.390 13.458 -1.416 1.00 0.00 C ATOM 1170 C MET A 72 -2.749 12.985 -0.110 1.00 0.00 C ATOM 1171 O MET A 72 -3.194 13.326 0.968 1.00 0.00 O ATOM 1172 CB MET A 72 -4.082 12.295 -2.141 1.00 0.00 C ATOM 1173 CG MET A 72 -5.235 11.771 -1.283 1.00 0.00 C ATOM 1174 SD MET A 72 -5.992 10.342 -2.097 1.00 0.00 S ATOM 1175 CE MET A 72 -4.520 9.289 -2.118 1.00 0.00 C ATOM 0 H MET A 72 -1.894 13.224 -2.937 1.00 0.00 H new ATOM 0 HA MET A 72 -4.120 14.236 -1.192 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.457 12.628 -3.109 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.366 11.496 -2.334 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.869 11.489 -0.296 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.978 12.555 -1.135 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.796 8.284 -2.437 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.787 9.702 -2.812 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.089 9.246 -1.118 1.00 0.00 H new ATOM 1185 N THR A 73 -1.672 12.228 -0.204 1.00 0.00 N ATOM 1186 CA THR A 73 -0.966 11.767 1.040 1.00 0.00 C ATOM 1187 C THR A 73 -0.518 13.012 1.847 1.00 0.00 C ATOM 1188 O THR A 73 -0.587 13.017 3.063 1.00 0.00 O ATOM 1189 CB THR A 73 0.237 10.913 0.541 1.00 0.00 C ATOM 1190 OG1 THR A 73 -0.192 9.572 0.362 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.399 10.935 1.535 1.00 0.00 C ATOM 0 H THR A 73 -1.257 11.913 -1.081 1.00 0.00 H new ATOM 0 HA THR A 73 -1.593 11.172 1.705 1.00 0.00 H new ATOM 0 HB THR A 73 0.588 11.339 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.430 9.107 -0.236 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.218 10.328 1.150 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.741 11.961 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.067 10.532 2.492 1.00 0.00 H new ATOM 1199 N ALA A 74 -0.068 14.066 1.185 1.00 0.00 N ATOM 1200 CA ALA A 74 0.364 15.295 1.949 1.00 0.00 C ATOM 1201 C ALA A 74 -0.818 15.844 2.766 1.00 0.00 C ATOM 1202 O ALA A 74 -0.646 16.284 3.887 1.00 0.00 O ATOM 1203 CB ALA A 74 0.813 16.331 0.906 1.00 0.00 C ATOM 0 H ALA A 74 0.017 14.128 0.170 1.00 0.00 H new ATOM 0 HA ALA A 74 1.173 15.065 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.136 17.241 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.641 15.926 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.019 16.562 0.241 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.020 15.813 2.222 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.206 16.327 2.993 1.00 0.00 C ATOM 1211 C LYS A 75 -3.830 15.203 3.845 1.00 0.00 C ATOM 1212 O LYS A 75 -4.395 15.466 4.890 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.214 16.829 1.949 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.416 17.461 2.656 1.00 0.00 C ATOM 1215 CD LYS A 75 -6.538 16.428 2.780 1.00 0.00 C ATOM 1216 CE LYS A 75 -7.362 16.717 4.037 1.00 0.00 C ATOM 1217 NZ LYS A 75 -8.708 16.145 3.754 1.00 0.00 N ATOM 0 H LYS A 75 -2.228 15.458 1.289 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.914 17.123 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.740 17.559 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.543 16.002 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.124 17.817 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.766 18.328 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.177 16.462 1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.118 15.424 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.914 16.256 4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.421 17.788 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.331 16.304 4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.112 16.608 2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.621 15.124 3.578 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.734 13.953 3.419 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.331 12.836 4.240 1.00 0.00 C ATOM 1233 C GLU A 76 -3.543 12.597 5.546 1.00 0.00 C ATOM 1234 O GLU A 76 -4.011 11.887 6.416 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.283 11.574 3.363 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.509 11.542 2.448 1.00 0.00 C ATOM 1237 CD GLU A 76 -5.702 10.125 1.904 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -4.776 9.615 1.295 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.772 9.575 2.105 1.00 0.00 O ATOM 0 H GLU A 76 -3.277 13.663 2.555 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.350 13.092 4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.371 11.567 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.261 10.683 3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.396 11.855 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.380 12.245 1.625 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.353 13.162 5.710 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.568 12.933 6.968 1.00 0.00 C ATOM 1248 C LYS A 77 -1.328 11.430 7.164 1.00 0.00 C ATOM 1249 O LYS A 77 -1.545 10.898 8.236 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.413 13.505 8.118 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.927 14.916 8.456 1.00 0.00 C ATOM 1252 CD LYS A 77 -2.632 15.409 9.721 1.00 0.00 C ATOM 1253 CE LYS A 77 -2.791 16.930 9.658 1.00 0.00 C ATOM 1254 NZ LYS A 77 -1.408 17.466 9.789 1.00 0.00 N ATOM 0 H LYS A 77 -1.901 13.768 5.025 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.592 13.417 6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.465 13.530 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.335 12.862 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.847 14.914 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.132 15.592 7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.609 14.934 9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.056 15.129 10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.248 17.241 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.433 17.294 10.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.449 18.474 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.902 16.942 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.906 17.357 8.885 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.888 10.738 6.129 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.640 9.254 6.268 1.00 0.00 C ATOM 1270 C PHE A 78 0.357 8.983 7.407 1.00 0.00 C ATOM 1271 O PHE A 78 0.699 9.875 8.161 1.00 0.00 O ATOM 1272 CB PHE A 78 -0.083 8.752 4.918 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.175 8.006 4.181 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.839 6.942 4.808 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.531 8.384 2.881 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.858 6.258 4.134 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.550 7.697 2.207 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.213 6.634 2.834 1.00 0.00 C ATOM 0 H PHE A 78 -0.692 11.128 5.207 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.563 8.729 6.514 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.268 9.593 4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.774 8.099 5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.564 6.650 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.021 9.204 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.370 5.440 4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.824 7.987 1.204 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.998 6.105 2.314 1.00 0.00 H new ATOM 1288 N SER A 79 0.817 7.759 7.550 1.00 0.00 N ATOM 1289 CA SER A 79 1.767 7.441 8.649 1.00 0.00 C ATOM 1290 C SER A 79 3.140 7.116 8.063 1.00 0.00 C ATOM 1291 O SER A 79 3.306 7.136 6.859 1.00 0.00 O ATOM 1292 CB SER A 79 1.160 6.213 9.338 1.00 0.00 C ATOM 1293 OG SER A 79 0.652 6.592 10.610 1.00 0.00 O ATOM 0 H SER A 79 0.571 6.972 6.949 1.00 0.00 H new ATOM 0 HA SER A 79 1.908 8.268 9.345 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.362 5.795 8.725 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.915 5.435 9.452 1.00 0.00 H new ATOM 0 HG SER A 79 -0.258 6.940 10.508 1.00 0.00 H new ATOM 1299 N PRO A 80 4.092 6.816 8.918 1.00 0.00 N ATOM 1300 CA PRO A 80 5.447 6.478 8.424 1.00 0.00 C ATOM 1301 C PRO A 80 5.453 5.186 7.589 1.00 0.00 C ATOM 1302 O PRO A 80 6.383 4.955 6.837 1.00 0.00 O ATOM 1303 CB PRO A 80 6.270 6.334 9.695 1.00 0.00 C ATOM 1304 CG PRO A 80 5.278 6.010 10.759 1.00 0.00 C ATOM 1305 CD PRO A 80 4.027 6.756 10.393 1.00 0.00 C ATOM 0 HA PRO A 80 5.845 7.237 7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.015 5.545 9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.808 7.254 9.924 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.093 4.937 10.808 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.643 6.315 11.740 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.133 6.236 10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.007 7.752 10.836 1.00 0.00 H new ATOM 1313 N LEU A 81 4.432 4.351 7.675 1.00 0.00 N ATOM 1314 CA LEU A 81 4.427 3.118 6.838 1.00 0.00 C ATOM 1315 C LEU A 81 3.396 3.254 5.708 1.00 0.00 C ATOM 1316 O LEU A 81 2.917 2.259 5.195 1.00 0.00 O ATOM 1317 CB LEU A 81 4.025 1.980 7.781 1.00 0.00 C ATOM 1318 CG LEU A 81 5.260 1.428 8.516 1.00 0.00 C ATOM 1319 CD1 LEU A 81 6.255 0.849 7.505 1.00 0.00 C ATOM 1320 CD2 LEU A 81 5.939 2.546 9.316 1.00 0.00 C ATOM 0 H LEU A 81 3.620 4.475 8.280 1.00 0.00 H new ATOM 0 HA LEU A 81 5.398 2.938 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.294 2.341 8.505 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.545 1.182 7.214 1.00 0.00 H new ATOM 0 HG LEU A 81 4.938 0.641 9.198 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.126 0.461 8.033 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.779 0.042 6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.569 1.632 6.814 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.811 2.146 9.832 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.251 3.340 8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.237 2.948 10.047 1.00 0.00 H new ATOM 1332 N THR A 82 3.042 4.466 5.306 1.00 0.00 N ATOM 1333 CA THR A 82 2.044 4.608 4.212 1.00 0.00 C ATOM 1334 C THR A 82 2.483 5.643 3.156 1.00 0.00 C ATOM 1335 O THR A 82 1.663 6.132 2.403 1.00 0.00 O ATOM 1336 CB THR A 82 0.741 5.027 4.907 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.751 4.591 6.274 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.432 4.386 4.154 1.00 0.00 C ATOM 0 H THR A 82 3.402 5.340 5.689 1.00 0.00 H new ATOM 0 HA THR A 82 1.927 3.676 3.659 1.00 0.00 H new ATOM 0 HB THR A 82 0.641 6.112 4.897 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.512 3.642 6.316 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.370 4.671 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.432 4.730 3.120 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.329 3.301 4.175 1.00 0.00 H new ATOM 1346 N SER A 83 3.766 5.945 3.048 1.00 0.00 N ATOM 1347 CA SER A 83 4.222 6.895 1.991 1.00 0.00 C ATOM 1348 C SER A 83 5.307 6.186 1.175 1.00 0.00 C ATOM 1349 O SER A 83 6.383 6.698 0.935 1.00 0.00 O ATOM 1350 CB SER A 83 4.765 8.123 2.719 1.00 0.00 C ATOM 1351 OG SER A 83 3.678 8.912 3.184 1.00 0.00 O ATOM 0 H SER A 83 4.504 5.573 3.646 1.00 0.00 H new ATOM 0 HA SER A 83 3.429 7.204 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.391 7.816 3.557 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.394 8.709 2.049 1.00 0.00 H new ATOM 0 HG SER A 83 4.023 9.700 3.653 1.00 0.00 H new ATOM 1357 N ASN A 84 4.991 4.993 0.755 1.00 0.00 N ATOM 1358 CA ASN A 84 5.926 4.152 -0.059 1.00 0.00 C ATOM 1359 C ASN A 84 5.065 3.074 -0.727 1.00 0.00 C ATOM 1360 O ASN A 84 4.985 2.987 -1.937 1.00 0.00 O ATOM 1361 CB ASN A 84 6.903 3.536 0.944 1.00 0.00 C ATOM 1362 CG ASN A 84 8.303 3.469 0.321 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.454 3.048 -0.808 1.00 0.00 O ATOM 1364 ND2 ASN A 84 9.345 3.870 1.010 1.00 0.00 N ATOM 0 H ASN A 84 4.094 4.548 0.947 1.00 0.00 H new ATOM 0 HA ASN A 84 6.475 4.699 -0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.928 4.132 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.570 2.537 1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.277 3.827 0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.223 4.224 1.959 1.00 0.00 H new ATOM 1371 N LEU A 85 4.348 2.304 0.077 1.00 0.00 N ATOM 1372 CA LEU A 85 3.408 1.293 -0.501 1.00 0.00 C ATOM 1373 C LEU A 85 2.398 2.021 -1.421 1.00 0.00 C ATOM 1374 O LEU A 85 1.904 1.434 -2.367 1.00 0.00 O ATOM 1375 CB LEU A 85 2.681 0.635 0.694 1.00 0.00 C ATOM 1376 CG LEU A 85 1.625 -0.356 0.190 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.309 -1.488 -0.578 1.00 0.00 C ATOM 1378 CD2 LEU A 85 0.863 -0.937 1.383 1.00 0.00 C ATOM 0 H LEU A 85 4.378 2.337 1.096 1.00 0.00 H new ATOM 0 HA LEU A 85 3.926 0.539 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.402 0.119 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.208 1.401 1.308 1.00 0.00 H new ATOM 0 HG LEU A 85 0.929 0.161 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.557 -2.191 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.852 -1.075 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.006 -2.006 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.112 -1.642 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.560 -1.453 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.374 -0.131 1.930 1.00 0.00 H new ATOM 1390 N ILE A 86 2.092 3.299 -1.173 1.00 0.00 N ATOM 1391 CA ILE A 86 1.126 4.000 -2.087 1.00 0.00 C ATOM 1392 C ILE A 86 1.767 4.139 -3.477 1.00 0.00 C ATOM 1393 O ILE A 86 1.125 3.900 -4.483 1.00 0.00 O ATOM 1394 CB ILE A 86 0.827 5.382 -1.471 1.00 0.00 C ATOM 1395 CG1 ILE A 86 0.094 5.182 -0.136 1.00 0.00 C ATOM 1396 CG2 ILE A 86 -0.057 6.198 -2.429 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -0.253 6.539 0.485 1.00 0.00 C ATOM 0 H ILE A 86 2.461 3.858 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 86 0.196 3.442 -2.198 1.00 0.00 H new ATOM 0 HB ILE A 86 1.760 5.921 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.816 4.603 -0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.720 4.610 0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.266 7.173 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.462 6.331 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.995 5.669 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.772 6.384 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.663 7.103 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.897 7.097 -0.195 1.00 0.00 H new ATOM 1409 N ASN A 87 3.033 4.509 -3.545 1.00 0.00 N ATOM 1410 CA ASN A 87 3.698 4.636 -4.893 1.00 0.00 C ATOM 1411 C ASN A 87 3.678 3.268 -5.590 1.00 0.00 C ATOM 1412 O ASN A 87 3.361 3.169 -6.760 1.00 0.00 O ATOM 1413 CB ASN A 87 5.146 5.083 -4.638 1.00 0.00 C ATOM 1414 CG ASN A 87 5.845 5.344 -5.979 1.00 0.00 C ATOM 1415 OD1 ASN A 87 5.376 6.135 -6.772 1.00 0.00 O ATOM 1416 ND2 ASN A 87 6.955 4.710 -6.272 1.00 0.00 N ATOM 0 H ASN A 87 3.624 4.725 -2.742 1.00 0.00 H new ATOM 0 HA ASN A 87 3.184 5.356 -5.530 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.157 5.986 -4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.682 4.315 -4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.421 4.882 -7.163 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.353 4.045 -5.609 1.00 0.00 H new ATOM 1423 N LEU A 88 3.993 2.204 -4.872 1.00 0.00 N ATOM 1424 CA LEU A 88 3.968 0.835 -5.502 1.00 0.00 C ATOM 1425 C LEU A 88 2.561 0.553 -6.045 1.00 0.00 C ATOM 1426 O LEU A 88 2.405 0.041 -7.137 1.00 0.00 O ATOM 1427 CB LEU A 88 4.310 -0.173 -4.391 1.00 0.00 C ATOM 1428 CG LEU A 88 5.820 -0.405 -4.353 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.195 -1.091 -3.038 1.00 0.00 C ATOM 1430 CD2 LEU A 88 6.229 -1.298 -5.526 1.00 0.00 C ATOM 0 H LEU A 88 4.263 2.225 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 88 4.678 0.762 -6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.966 0.203 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.792 -1.115 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 88 6.337 0.552 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.272 -1.258 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.903 -0.457 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.678 -2.048 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.306 -1.464 -5.499 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.713 -2.255 -5.452 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.960 -0.812 -6.464 1.00 0.00 H new ATOM 1442 N LEU A 89 1.529 0.896 -5.294 1.00 0.00 N ATOM 1443 CA LEU A 89 0.129 0.653 -5.793 1.00 0.00 C ATOM 1444 C LEU A 89 -0.077 1.396 -7.122 1.00 0.00 C ATOM 1445 O LEU A 89 -0.695 0.876 -8.033 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.826 1.199 -4.720 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.975 0.163 -3.607 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.689 0.793 -2.410 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.793 -1.020 -4.127 1.00 0.00 C ATOM 0 H LEU A 89 1.595 1.327 -4.372 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.055 -0.407 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.440 2.134 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.798 1.420 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 89 0.011 -0.182 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.794 0.052 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.106 1.638 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.676 1.139 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.902 -1.762 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.778 -0.673 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.282 -1.469 -4.979 1.00 0.00 H new ATOM 1461 N ALA A 90 0.457 2.594 -7.252 1.00 0.00 N ATOM 1462 CA ALA A 90 0.306 3.336 -8.541 1.00 0.00 C ATOM 1463 C ALA A 90 1.630 3.307 -9.331 1.00 0.00 C ATOM 1464 O ALA A 90 1.905 4.204 -10.104 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.054 4.774 -8.151 1.00 0.00 C ATOM 0 H ALA A 90 0.984 3.081 -6.527 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.458 2.890 -9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.180 5.375 -9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.984 4.775 -7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.745 5.197 -7.542 1.00 0.00 H new ATOM 1471 N GLU A 91 2.453 2.282 -9.155 1.00 0.00 N ATOM 1472 CA GLU A 91 3.746 2.228 -9.923 1.00 0.00 C ATOM 1473 C GLU A 91 3.576 1.369 -11.186 1.00 0.00 C ATOM 1474 O GLU A 91 4.060 1.724 -12.244 1.00 0.00 O ATOM 1475 CB GLU A 91 4.780 1.595 -8.979 1.00 0.00 C ATOM 1476 CG GLU A 91 6.145 1.546 -9.668 1.00 0.00 C ATOM 1477 CD GLU A 91 7.251 1.581 -8.613 1.00 0.00 C ATOM 1478 OE1 GLU A 91 7.369 0.617 -7.873 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.961 2.572 -8.560 1.00 0.00 O ATOM 0 H GLU A 91 2.285 1.498 -8.524 1.00 0.00 H new ATOM 0 HA GLU A 91 4.061 3.221 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.848 2.173 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.466 0.589 -8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.229 0.640 -10.268 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.251 2.390 -10.349 1.00 0.00 H new ATOM 1486 N ASN A 92 2.894 0.247 -11.091 1.00 0.00 N ATOM 1487 CA ASN A 92 2.702 -0.614 -12.297 1.00 0.00 C ATOM 1488 C ASN A 92 1.222 -1.008 -12.453 1.00 0.00 C ATOM 1489 O ASN A 92 0.919 -2.095 -12.909 1.00 0.00 O ATOM 1490 CB ASN A 92 3.561 -1.852 -12.039 1.00 0.00 C ATOM 1491 CG ASN A 92 5.045 -1.468 -12.104 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.506 -0.964 -13.108 1.00 0.00 O ATOM 1493 ND2 ASN A 92 5.823 -1.685 -11.070 1.00 0.00 N ATOM 0 H ASN A 92 2.466 -0.104 -10.234 1.00 0.00 H new ATOM 0 HA ASN A 92 2.986 -0.100 -13.215 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.326 -2.273 -11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.341 -2.621 -12.779 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.810 -1.431 -11.112 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.441 -2.108 -10.224 1.00 0.00 H new ATOM 1500 N GLY A 93 0.296 -0.144 -12.079 1.00 0.00 N ATOM 1501 CA GLY A 93 -1.145 -0.492 -12.211 1.00 0.00 C ATOM 1502 C GLY A 93 -1.548 -1.387 -11.037 1.00 0.00 C ATOM 1503 O GLY A 93 -2.160 -2.422 -11.230 1.00 0.00 O ATOM 0 H GLY A 93 0.485 0.780 -11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.752 0.413 -12.221 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.324 -1.006 -13.156 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.211 -1.006 -9.821 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.584 -1.858 -8.652 1.00 0.00 C ATOM 1509 C ARG A 94 -2.702 -1.213 -7.807 1.00 0.00 C ATOM 1510 O ARG A 94 -2.860 -1.548 -6.648 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.302 -2.003 -7.826 1.00 0.00 C ATOM 1512 CG ARG A 94 0.474 -3.231 -8.304 1.00 0.00 C ATOM 1513 CD ARG A 94 0.046 -4.454 -7.489 1.00 0.00 C ATOM 1514 NE ARG A 94 0.290 -5.617 -8.385 1.00 0.00 N ATOM 1515 CZ ARG A 94 1.475 -6.161 -8.439 1.00 0.00 C ATOM 1516 NH1 ARG A 94 2.015 -6.657 -7.358 1.00 0.00 N ATOM 1517 NH2 ARG A 94 2.121 -6.209 -9.572 1.00 0.00 N ATOM 0 H ARG A 94 -0.700 -0.152 -9.595 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.974 -2.821 -8.980 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.312 -1.108 -7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.547 -2.103 -6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.286 -3.403 -9.364 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.545 -3.063 -8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.624 -4.537 -6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.004 -4.390 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.469 -5.989 -8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.511 -6.619 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.941 -7.082 -7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.700 -5.821 -10.416 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.047 -6.634 -9.613 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.503 -0.321 -8.369 1.00 0.00 N ATOM 1532 CA LEU A 95 -4.616 0.282 -7.567 1.00 0.00 C ATOM 1533 C LEU A 95 -5.964 -0.306 -8.026 1.00 0.00 C ATOM 1534 O LEU A 95 -6.982 0.355 -7.984 1.00 0.00 O ATOM 1535 CB LEU A 95 -4.551 1.790 -7.827 1.00 0.00 C ATOM 1536 CG LEU A 95 -3.556 2.434 -6.856 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -3.370 3.909 -7.215 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.091 2.325 -5.426 1.00 0.00 C ATOM 0 H LEU A 95 -3.431 0.006 -9.332 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.521 0.069 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.246 1.979 -8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.538 2.234 -7.701 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.599 1.918 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.662 4.365 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.987 3.990 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.328 4.424 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.382 2.783 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.050 2.839 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.223 1.275 -5.166 1.00 0.00 H new ATOM 1550 N THR A 96 -5.976 -1.560 -8.433 1.00 0.00 N ATOM 1551 CA THR A 96 -7.249 -2.216 -8.859 1.00 0.00 C ATOM 1552 C THR A 96 -7.603 -3.262 -7.797 1.00 0.00 C ATOM 1553 O THR A 96 -8.681 -3.243 -7.234 1.00 0.00 O ATOM 1554 CB THR A 96 -6.946 -2.881 -10.205 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.895 -3.823 -10.039 1.00 0.00 O ATOM 1556 CG2 THR A 96 -6.525 -1.815 -11.217 1.00 0.00 C ATOM 0 H THR A 96 -5.150 -2.156 -8.486 1.00 0.00 H new ATOM 0 HA THR A 96 -8.085 -1.524 -8.961 1.00 0.00 H new ATOM 0 HB THR A 96 -7.837 -3.392 -10.569 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.275 -4.708 -9.857 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.309 -2.288 -12.175 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.332 -1.093 -11.342 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.633 -1.303 -10.856 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.674 -4.148 -7.479 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.932 -5.154 -6.410 1.00 0.00 C ATOM 1566 C ASN A 97 -6.223 -4.711 -5.113 1.00 0.00 C ATOM 1567 O ASN A 97 -5.760 -5.538 -4.350 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.336 -6.469 -6.926 1.00 0.00 C ATOM 1569 CG ASN A 97 -7.098 -6.923 -8.177 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -6.582 -6.722 -9.365 1.00 0.00 O flip ATOM 1571 ND2 ASN A 97 -8.178 -7.469 -8.074 1.00 0.00 N flip ATOM 0 H ASN A 97 -5.755 -4.209 -7.918 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.994 -5.263 -6.188 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.280 -6.334 -7.160 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.396 -7.235 -6.153 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.583 -7.628 -7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.680 -7.769 -8.910 1.00 0.00 H new ATOM 1578 N THR A 98 -6.136 -3.408 -4.847 1.00 0.00 N ATOM 1579 CA THR A 98 -5.455 -2.952 -3.590 1.00 0.00 C ATOM 1580 C THR A 98 -6.150 -3.485 -2.312 1.00 0.00 C ATOM 1581 O THR A 98 -5.453 -3.792 -1.364 1.00 0.00 O ATOM 1582 CB THR A 98 -5.412 -1.403 -3.616 1.00 0.00 C ATOM 1583 OG1 THR A 98 -4.565 -0.920 -2.567 1.00 0.00 O ATOM 1584 CG2 THR A 98 -6.819 -0.817 -3.462 1.00 0.00 C ATOM 0 H THR A 98 -6.503 -2.664 -5.440 1.00 0.00 H new ATOM 0 HA THR A 98 -4.444 -3.358 -3.556 1.00 0.00 H new ATOM 0 HB THR A 98 -5.010 -1.086 -4.578 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.115 -0.628 -1.810 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.764 0.271 -3.483 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.449 -1.164 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.246 -1.140 -2.513 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.480 -3.612 -2.283 1.00 0.00 N ATOM 1593 CA PRO A 99 -8.126 -4.146 -1.048 1.00 0.00 C ATOM 1594 C PRO A 99 -7.632 -5.576 -0.774 1.00 0.00 C ATOM 1595 O PRO A 99 -7.371 -5.933 0.359 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.621 -4.107 -1.368 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.678 -4.123 -2.855 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.500 -3.308 -3.312 1.00 0.00 C ATOM 0 HA PRO A 99 -7.892 -3.574 -0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.142 -4.964 -0.940 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.092 -3.212 -0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.623 -5.142 -3.239 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.614 -3.697 -3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.169 -3.598 -4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.733 -2.244 -3.350 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.465 -6.389 -1.802 1.00 0.00 N ATOM 1607 CA ALA A 100 -6.941 -7.788 -1.568 1.00 0.00 C ATOM 1608 C ALA A 100 -5.566 -7.717 -0.871 1.00 0.00 C ATOM 1609 O ALA A 100 -5.233 -8.569 -0.069 1.00 0.00 O ATOM 1610 CB ALA A 100 -6.798 -8.445 -2.950 1.00 0.00 C ATOM 0 H ALA A 100 -7.664 -6.153 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.614 -8.362 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.421 -9.461 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.770 -8.473 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.101 -7.867 -3.557 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.768 -6.699 -1.159 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.422 -6.587 -0.486 1.00 0.00 C ATOM 1618 C VAL A 101 -3.594 -6.288 1.018 1.00 0.00 C ATOM 1619 O VAL A 101 -2.760 -6.664 1.820 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.675 -5.420 -1.164 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.264 -5.304 -0.579 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.582 -5.664 -2.677 1.00 0.00 C ATOM 0 H VAL A 101 -4.988 -5.954 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.868 -7.521 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.223 -4.495 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.738 -4.479 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.329 -5.118 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.720 -6.232 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.053 -4.835 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.041 -6.592 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.586 -5.738 -3.096 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.660 -5.613 1.415 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.846 -5.304 2.878 1.00 0.00 C ATOM 1634 C ILE A 102 -5.405 -6.528 3.628 1.00 0.00 C ATOM 1635 O ILE A 102 -5.066 -6.751 4.775 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.836 -4.127 2.956 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -5.266 -2.929 2.189 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -6.053 -3.730 4.419 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -6.309 -1.811 2.134 1.00 0.00 C ATOM 0 H ILE A 102 -5.397 -5.269 0.799 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.895 -5.050 3.345 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.787 -4.428 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.359 -2.570 2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.987 -3.230 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.754 -2.897 4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.458 -4.579 4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.102 -3.431 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.902 -0.960 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.204 -2.173 1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.566 -1.503 3.147 1.00 0.00 H new ATOM 1651 N SER A 103 -6.253 -7.328 3.002 1.00 0.00 N ATOM 1652 CA SER A 103 -6.806 -8.535 3.725 1.00 0.00 C ATOM 1653 C SER A 103 -5.649 -9.440 4.167 1.00 0.00 C ATOM 1654 O SER A 103 -5.582 -9.848 5.311 1.00 0.00 O ATOM 1655 CB SER A 103 -7.713 -9.276 2.731 1.00 0.00 C ATOM 1656 OG SER A 103 -8.200 -10.466 3.339 1.00 0.00 O ATOM 0 H SER A 103 -6.580 -7.202 2.044 1.00 0.00 H new ATOM 0 HA SER A 103 -7.368 -8.244 4.613 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.546 -8.638 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.158 -9.517 1.824 1.00 0.00 H new ATOM 0 HG SER A 103 -8.781 -10.941 2.709 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.720 -9.737 3.279 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.551 -10.598 3.689 1.00 0.00 C ATOM 1664 C ALA A 104 -2.804 -9.933 4.864 1.00 0.00 C ATOM 1665 O ALA A 104 -2.267 -10.610 5.720 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.626 -10.705 2.466 1.00 0.00 C ATOM 0 H ALA A 104 -4.718 -9.428 2.307 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.880 -11.585 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.762 -11.321 2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.169 -11.160 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.290 -9.710 2.176 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.772 -8.611 4.918 1.00 0.00 N ATOM 1673 CA PHE A 105 -2.063 -7.917 6.054 1.00 0.00 C ATOM 1674 C PHE A 105 -2.630 -8.391 7.400 1.00 0.00 C ATOM 1675 O PHE A 105 -1.890 -8.611 8.342 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.340 -6.414 5.881 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.361 -5.609 6.701 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.396 -5.666 8.101 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.423 -4.796 6.061 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.493 -4.912 8.852 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.479 -4.042 6.813 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.443 -4.102 8.208 1.00 0.00 C ATOM 0 H PHE A 105 -3.202 -7.991 4.232 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.995 -8.135 6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.258 -6.140 4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.360 -6.186 6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.121 -6.293 8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -0.396 -4.751 4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.519 -4.955 9.931 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.204 -3.413 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.142 -3.520 8.790 1.00 0.00 H new ATOM 1692 N SER A 106 -3.935 -8.545 7.504 1.00 0.00 N ATOM 1693 CA SER A 106 -4.521 -9.001 8.815 1.00 0.00 C ATOM 1694 C SER A 106 -4.085 -10.441 9.110 1.00 0.00 C ATOM 1695 O SER A 106 -3.750 -10.767 10.234 1.00 0.00 O ATOM 1696 CB SER A 106 -6.048 -8.924 8.676 1.00 0.00 C ATOM 1697 OG SER A 106 -6.626 -8.697 9.955 1.00 0.00 O ATOM 0 H SER A 106 -4.608 -8.379 6.756 1.00 0.00 H new ATOM 0 HA SER A 106 -4.177 -8.373 9.637 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.322 -8.120 7.993 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.433 -9.850 8.250 1.00 0.00 H new ATOM 0 HG SER A 106 -7.601 -8.646 9.869 1.00 0.00 H new ATOM 1703 N THR A 107 -4.071 -11.304 8.115 1.00 0.00 N ATOM 1704 CA THR A 107 -3.632 -12.720 8.376 1.00 0.00 C ATOM 1705 C THR A 107 -2.112 -12.762 8.574 1.00 0.00 C ATOM 1706 O THR A 107 -1.621 -13.517 9.394 1.00 0.00 O ATOM 1707 CB THR A 107 -4.040 -13.548 7.146 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.050 -12.858 6.425 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.572 -14.909 7.599 1.00 0.00 C ATOM 0 H THR A 107 -4.338 -11.096 7.153 1.00 0.00 H new ATOM 0 HA THR A 107 -4.096 -13.120 9.277 1.00 0.00 H new ATOM 0 HB THR A 107 -3.172 -13.695 6.503 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.309 -13.384 5.640 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.861 -15.495 6.727 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.795 -15.438 8.151 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.440 -14.765 8.243 1.00 0.00 H new ATOM 1717 N MET A 108 -1.358 -11.949 7.857 1.00 0.00 N ATOM 1718 CA MET A 108 0.129 -11.962 8.061 1.00 0.00 C ATOM 1719 C MET A 108 0.463 -11.333 9.420 1.00 0.00 C ATOM 1720 O MET A 108 1.382 -11.766 10.090 1.00 0.00 O ATOM 1721 CB MET A 108 0.745 -11.137 6.927 1.00 0.00 C ATOM 1722 CG MET A 108 0.503 -11.839 5.589 1.00 0.00 C ATOM 1723 SD MET A 108 1.424 -13.399 5.544 1.00 0.00 S ATOM 1724 CE MET A 108 0.022 -14.501 5.850 1.00 0.00 C ATOM 0 H MET A 108 -1.701 -11.293 7.156 1.00 0.00 H new ATOM 0 HA MET A 108 0.523 -12.978 8.051 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.306 -10.139 6.910 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.815 -11.012 7.095 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.562 -12.030 5.455 1.00 0.00 H new ATOM 0 HG3 MET A 108 0.818 -11.196 4.767 1.00 0.00 H new ATOM 0 HE1 MET A 108 0.244 -15.144 6.702 1.00 0.00 H new ATOM 0 HE2 MET A 108 -0.867 -13.908 6.065 1.00 0.00 H new ATOM 0 HE3 MET A 108 -0.157 -15.116 4.968 1.00 0.00 H new ATOM 1734 N MET A 109 -0.277 -10.320 9.847 1.00 0.00 N ATOM 1735 CA MET A 109 0.025 -9.699 11.184 1.00 0.00 C ATOM 1736 C MET A 109 -0.095 -10.766 12.280 1.00 0.00 C ATOM 1737 O MET A 109 0.724 -10.827 13.170 1.00 0.00 O ATOM 1738 CB MET A 109 -1.015 -8.587 11.407 1.00 0.00 C ATOM 1739 CG MET A 109 -0.736 -7.879 12.736 1.00 0.00 C ATOM 1740 SD MET A 109 -1.690 -8.668 14.058 1.00 0.00 S ATOM 1741 CE MET A 109 -1.650 -7.285 15.224 1.00 0.00 C ATOM 0 H MET A 109 -1.058 -9.908 9.337 1.00 0.00 H new ATOM 0 HA MET A 109 1.035 -9.291 11.215 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.977 -7.870 10.587 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.019 -9.011 11.413 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.328 -7.923 12.966 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.003 -6.825 12.661 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.860 -7.650 16.229 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.664 -6.822 15.205 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.402 -6.549 14.941 1.00 0.00 H new ATOM 1751 N SER A 110 -1.091 -11.628 12.228 1.00 0.00 N ATOM 1752 CA SER A 110 -1.195 -12.689 13.301 1.00 0.00 C ATOM 1753 C SER A 110 0.096 -13.524 13.359 1.00 0.00 C ATOM 1754 O SER A 110 0.491 -13.972 14.420 1.00 0.00 O ATOM 1755 CB SER A 110 -2.388 -13.580 12.936 1.00 0.00 C ATOM 1756 OG SER A 110 -2.072 -14.339 11.777 1.00 0.00 O ATOM 0 H SER A 110 -1.818 -11.648 11.513 1.00 0.00 H new ATOM 0 HA SER A 110 -1.335 -12.234 14.281 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.627 -14.245 13.766 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.271 -12.968 12.754 1.00 0.00 H new ATOM 0 HG SER A 110 -2.129 -13.765 10.985 1.00 0.00 H new ATOM 1762 N VAL A 111 0.767 -13.730 12.242 1.00 0.00 N ATOM 1763 CA VAL A 111 2.041 -14.529 12.281 1.00 0.00 C ATOM 1764 C VAL A 111 3.218 -13.682 12.818 1.00 0.00 C ATOM 1765 O VAL A 111 4.257 -14.227 13.144 1.00 0.00 O ATOM 1766 CB VAL A 111 2.322 -14.984 10.837 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.585 -15.849 10.804 1.00 0.00 C ATOM 1768 CG2 VAL A 111 1.136 -15.803 10.317 1.00 0.00 C ATOM 0 H VAL A 111 0.493 -13.386 11.322 1.00 0.00 H new ATOM 0 HA VAL A 111 1.936 -15.382 12.952 1.00 0.00 H new ATOM 0 HB VAL A 111 2.466 -14.106 10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.780 -16.169 9.780 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.432 -15.270 11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.443 -16.725 11.437 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.336 -16.124 9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.992 -16.678 10.951 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.235 -15.190 10.335 1.00 0.00 H new ATOM 1778 N HIS A 112 3.080 -12.369 12.936 1.00 0.00 N ATOM 1779 CA HIS A 112 4.209 -11.554 13.472 1.00 0.00 C ATOM 1780 C HIS A 112 4.136 -11.502 15.019 1.00 0.00 C ATOM 1781 O HIS A 112 5.137 -11.266 15.670 1.00 0.00 O ATOM 1782 CB HIS A 112 4.067 -10.161 12.791 1.00 0.00 C ATOM 1783 CG HIS A 112 3.506 -9.113 13.723 1.00 0.00 C ATOM 1784 ND1 HIS A 112 2.243 -9.190 14.280 1.00 0.00 N ATOM 1785 CD2 HIS A 112 4.048 -7.967 14.200 1.00 0.00 C ATOM 1786 CE1 HIS A 112 2.074 -8.112 15.058 1.00 0.00 C ATOM 1787 NE2 HIS A 112 3.150 -7.326 15.047 1.00 0.00 N ATOM 0 H HIS A 112 2.242 -11.844 12.685 1.00 0.00 H new ATOM 0 HA HIS A 112 5.191 -11.973 13.251 1.00 0.00 H new ATOM 0 HB2 HIS A 112 5.043 -9.836 12.430 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.419 -10.251 11.919 1.00 0.00 H new ATOM 0 HD1 HIS A 112 1.562 -9.934 14.126 1.00 0.00 H new ATOM 0 HD2 HIS A 112 5.036 -7.603 13.958 1.00 0.00 H new ATOM 0 HE1 HIS A 112 1.177 -7.906 15.624 1.00 0.00 H new ATOM 1795 N ARG A 113 2.971 -11.719 15.615 1.00 0.00 N ATOM 1796 CA ARG A 113 2.892 -11.673 17.111 1.00 0.00 C ATOM 1797 C ARG A 113 3.015 -13.089 17.707 1.00 0.00 C ATOM 1798 O ARG A 113 3.561 -13.259 18.781 1.00 0.00 O ATOM 1799 CB ARG A 113 1.520 -11.069 17.444 1.00 0.00 C ATOM 1800 CG ARG A 113 1.646 -10.155 18.665 1.00 0.00 C ATOM 1801 CD ARG A 113 0.704 -8.957 18.510 1.00 0.00 C ATOM 1802 NE ARG A 113 -0.484 -9.293 19.343 1.00 0.00 N ATOM 1803 CZ ARG A 113 -0.837 -8.507 20.323 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -1.191 -7.275 20.076 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -0.835 -8.952 21.551 1.00 0.00 N ATOM 0 H ARG A 113 2.094 -11.921 15.135 1.00 0.00 H new ATOM 0 HA ARG A 113 3.704 -11.080 17.532 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.143 -10.504 16.591 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.800 -11.863 17.644 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.402 -10.708 19.572 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.675 -9.810 18.769 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.177 -8.036 18.850 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.425 -8.806 17.467 1.00 0.00 H new ATOM 0 HE ARG A 113 -1.022 -10.137 19.147 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.192 -6.927 19.117 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -1.467 -6.660 20.842 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -0.557 -9.914 21.744 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -1.111 -8.337 22.317 1.00 0.00 H new ATOM 1819 N GLY A 114 2.511 -14.108 17.032 1.00 0.00 N ATOM 1820 CA GLY A 114 2.606 -15.494 17.584 1.00 0.00 C ATOM 1821 C GLY A 114 3.852 -16.215 17.035 1.00 0.00 C ATOM 1822 O GLY A 114 4.436 -17.035 17.720 1.00 0.00 O ATOM 0 H GLY A 114 2.042 -14.032 16.129 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.652 -15.455 18.672 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.710 -16.057 17.323 1.00 0.00 H new ATOM 2000 N GLU B 7 9.703 -8.657 -6.785 1.00 0.00 N ATOM 2001 CA GLU B 7 9.341 -8.271 -5.390 1.00 0.00 C ATOM 2002 C GLU B 7 9.829 -6.841 -5.119 1.00 0.00 C ATOM 2003 O GLU B 7 10.475 -6.581 -4.122 1.00 0.00 O ATOM 2004 CB GLU B 7 10.066 -9.273 -4.491 1.00 0.00 C ATOM 2005 CG GLU B 7 9.586 -10.691 -4.809 1.00 0.00 C ATOM 2006 CD GLU B 7 10.537 -11.707 -4.172 1.00 0.00 C ATOM 2007 OE1 GLU B 7 10.868 -11.533 -3.011 1.00 0.00 O ATOM 2008 OE2 GLU B 7 10.916 -12.643 -4.856 1.00 0.00 O ATOM 0 HA GLU B 7 8.266 -8.289 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU B 7 11.143 -9.200 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU B 7 9.876 -9.040 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU B 7 8.574 -10.837 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU B 7 9.548 -10.840 -5.888 1.00 0.00 H new ATOM 2015 N VAL B 8 9.527 -5.910 -6.005 1.00 0.00 N ATOM 2016 CA VAL B 8 9.986 -4.483 -5.793 1.00 0.00 C ATOM 2017 C VAL B 8 9.612 -3.992 -4.382 1.00 0.00 C ATOM 2018 O VAL B 8 10.323 -3.196 -3.796 1.00 0.00 O ATOM 2019 CB VAL B 8 9.289 -3.611 -6.858 1.00 0.00 C ATOM 2020 CG1 VAL B 8 9.721 -4.056 -8.262 1.00 0.00 C ATOM 2021 CG2 VAL B 8 7.765 -3.732 -6.720 1.00 0.00 C ATOM 0 H VAL B 8 8.989 -6.070 -6.857 1.00 0.00 H new ATOM 0 HA VAL B 8 11.070 -4.419 -5.886 1.00 0.00 H new ATOM 0 HB VAL B 8 9.578 -2.571 -6.708 1.00 0.00 H new ATOM 0 HG11 VAL B 8 9.225 -3.436 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL B 8 10.801 -3.949 -8.361 1.00 0.00 H new ATOM 0 HG13 VAL B 8 9.444 -5.099 -8.414 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.281 -3.113 -7.476 1.00 0.00 H new ATOM 0 HG22 VAL B 8 7.469 -4.772 -6.858 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.462 -3.397 -5.728 1.00 0.00 H new ATOM 2031 N SER B 9 8.517 -4.468 -3.821 1.00 0.00 N ATOM 2032 CA SER B 9 8.144 -4.017 -2.434 1.00 0.00 C ATOM 2033 C SER B 9 9.080 -4.678 -1.411 1.00 0.00 C ATOM 2034 O SER B 9 9.469 -4.058 -0.438 1.00 0.00 O ATOM 2035 CB SER B 9 6.692 -4.457 -2.197 1.00 0.00 C ATOM 2036 OG SER B 9 6.590 -5.863 -2.381 1.00 0.00 O ATOM 0 H SER B 9 7.878 -5.135 -4.253 1.00 0.00 H new ATOM 0 HA SER B 9 8.238 -2.936 -2.327 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.378 -4.187 -1.189 1.00 0.00 H new ATOM 0 HB3 SER B 9 6.026 -3.939 -2.887 1.00 0.00 H new ATOM 0 HG SER B 9 5.989 -6.052 -3.132 1.00 0.00 H new ATOM 2042 N SER B 10 9.460 -5.925 -1.623 1.00 0.00 N ATOM 2043 CA SER B 10 10.390 -6.593 -0.644 1.00 0.00 C ATOM 2044 C SER B 10 11.800 -6.008 -0.798 1.00 0.00 C ATOM 2045 O SER B 10 12.469 -5.744 0.182 1.00 0.00 O ATOM 2046 CB SER B 10 10.389 -8.090 -0.987 1.00 0.00 C ATOM 2047 OG SER B 10 11.081 -8.805 0.028 1.00 0.00 O ATOM 0 H SER B 10 9.172 -6.499 -2.416 1.00 0.00 H new ATOM 0 HA SER B 10 10.071 -6.434 0.386 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.365 -8.455 -1.071 1.00 0.00 H new ATOM 0 HB3 SER B 10 10.866 -8.254 -1.953 1.00 0.00 H new ATOM 0 HG SER B 10 11.081 -9.761 -0.187 1.00 0.00 H new ATOM 2053 N ILE B 11 12.253 -5.786 -2.017 1.00 0.00 N ATOM 2054 CA ILE B 11 13.626 -5.195 -2.195 1.00 0.00 C ATOM 2055 C ILE B 11 13.617 -3.720 -1.742 1.00 0.00 C ATOM 2056 O ILE B 11 14.587 -3.239 -1.188 1.00 0.00 O ATOM 2057 CB ILE B 11 13.986 -5.332 -3.693 1.00 0.00 C ATOM 2058 CG1 ILE B 11 15.463 -4.988 -3.896 1.00 0.00 C ATOM 2059 CG2 ILE B 11 13.129 -4.393 -4.552 1.00 0.00 C ATOM 2060 CD1 ILE B 11 15.872 -5.323 -5.333 1.00 0.00 C ATOM 0 H ILE B 11 11.744 -5.984 -2.878 1.00 0.00 H new ATOM 0 HA ILE B 11 14.371 -5.711 -1.590 1.00 0.00 H new ATOM 0 HB ILE B 11 13.793 -6.360 -4.000 1.00 0.00 H new ATOM 0 HG12 ILE B 11 15.632 -3.930 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE B 11 16.078 -5.548 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE B 11 13.402 -4.509 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE B 11 12.076 -4.641 -4.422 1.00 0.00 H new ATOM 0 HG23 ILE B 11 13.300 -3.361 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE B 11 16.924 -5.078 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE B 11 15.718 -6.386 -5.517 1.00 0.00 H new ATOM 0 HD13 ILE B 11 15.265 -4.743 -6.029 1.00 0.00 H new ATOM 2072 N LEU B 12 12.526 -3.001 -1.955 1.00 0.00 N ATOM 2073 CA LEU B 12 12.486 -1.565 -1.504 1.00 0.00 C ATOM 2074 C LEU B 12 12.541 -1.501 0.031 1.00 0.00 C ATOM 2075 O LEU B 12 13.155 -0.611 0.589 1.00 0.00 O ATOM 2076 CB LEU B 12 11.162 -0.974 -2.015 1.00 0.00 C ATOM 2077 CG LEU B 12 11.317 -0.563 -3.480 1.00 0.00 C ATOM 2078 CD1 LEU B 12 9.935 -0.352 -4.101 1.00 0.00 C ATOM 2079 CD2 LEU B 12 12.114 0.741 -3.559 1.00 0.00 C ATOM 0 H LEU B 12 11.680 -3.341 -2.412 1.00 0.00 H new ATOM 0 HA LEU B 12 13.335 -1.004 -1.894 1.00 0.00 H new ATOM 0 HB2 LEU B 12 10.362 -1.707 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.880 -0.111 -1.412 1.00 0.00 H new ATOM 0 HG LEU B 12 11.843 -1.347 -4.024 1.00 0.00 H new ATOM 0 HD11 LEU B 12 10.046 -0.059 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU B 12 9.365 -1.279 -4.043 1.00 0.00 H new ATOM 0 HD13 LEU B 12 9.408 0.433 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU B 12 12.226 1.036 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU B 12 11.586 1.524 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU B 12 13.099 0.593 -3.116 1.00 0.00 H new ATOM 2091 N GLU B 13 11.909 -2.435 0.726 1.00 0.00 N ATOM 2092 CA GLU B 13 11.953 -2.395 2.234 1.00 0.00 C ATOM 2093 C GLU B 13 13.411 -2.452 2.720 1.00 0.00 C ATOM 2094 O GLU B 13 13.777 -1.772 3.661 1.00 0.00 O ATOM 2095 CB GLU B 13 11.182 -3.626 2.735 1.00 0.00 C ATOM 2096 CG GLU B 13 10.918 -3.487 4.237 1.00 0.00 C ATOM 2097 CD GLU B 13 12.068 -4.125 5.018 1.00 0.00 C ATOM 2098 OE1 GLU B 13 12.045 -5.333 5.185 1.00 0.00 O ATOM 2099 OE2 GLU B 13 12.951 -3.395 5.436 1.00 0.00 O ATOM 0 H GLU B 13 11.376 -3.206 0.323 1.00 0.00 H new ATOM 0 HA GLU B 13 11.509 -1.475 2.614 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.239 -3.722 2.197 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.755 -4.532 2.538 1.00 0.00 H new ATOM 0 HG2 GLU B 13 10.822 -2.435 4.504 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.976 -3.969 4.498 1.00 0.00 H new ATOM 2106 N GLU B 14 14.250 -3.251 2.088 1.00 0.00 N ATOM 2107 CA GLU B 14 15.689 -3.325 2.539 1.00 0.00 C ATOM 2108 C GLU B 14 16.346 -1.939 2.424 1.00 0.00 C ATOM 2109 O GLU B 14 17.117 -1.545 3.280 1.00 0.00 O ATOM 2110 CB GLU B 14 16.397 -4.323 1.609 1.00 0.00 C ATOM 2111 CG GLU B 14 16.070 -5.752 2.049 1.00 0.00 C ATOM 2112 CD GLU B 14 16.719 -6.029 3.406 1.00 0.00 C ATOM 2113 OE1 GLU B 14 17.878 -5.684 3.568 1.00 0.00 O ATOM 2114 OE2 GLU B 14 16.046 -6.582 4.261 1.00 0.00 O ATOM 0 H GLU B 14 14.008 -3.845 1.295 1.00 0.00 H new ATOM 0 HA GLU B 14 15.758 -3.645 3.579 1.00 0.00 H new ATOM 0 HB2 GLU B 14 16.077 -4.166 0.579 1.00 0.00 H new ATOM 0 HB3 GLU B 14 17.474 -4.160 1.636 1.00 0.00 H new ATOM 0 HG2 GLU B 14 14.990 -5.885 2.116 1.00 0.00 H new ATOM 0 HG3 GLU B 14 16.433 -6.464 1.308 1.00 0.00 H new