USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 914 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: B 127 ASN :FLIP amide:sc= 1.3 F(o=-6.3,f=-0.32) USER MOD Set 1.2: B 130 ASN :FLIP amide:sc= -2.79! C(o=-6.3!,f=-0.32!) USER MOD Set 1.3: B 161 ASN :FLIP amide:sc= 1.18 F(o=-3.1,f=-0.32) USER MOD Set 2.1: B 117 GLN : amide:sc= -0.0528 X(o=-3.7,f=-4) USER MOD Set 2.2: B 131 CYS SG : rot -18:sc= -0.603 USER MOD Set 2.3: B 135 MET CE :methyl -158:sc= -3.09! (180deg=-2.91!) USER MOD Set 3.1: A 27 ASN : amide:sc= -0.0969 X(o=-2.1,f=-2) USER MOD Set 3.2: A 30 ASN : amide:sc= -0.892 K(o=-2.1,f=-13!) USER MOD Set 3.3: A 61 ASN : amide:sc= -1.16 K(o=-2.1,f=-10!) USER MOD Set 4.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: B 170 HIS : no HE2:sc= 0.631 K(o=0.63,f=-2.6!) USER MOD Set 5.1: A 31 CYS SG : rot -140:sc= -3.16 USER MOD Set 5.2: A 35 MET CE :methyl -155:sc= -4.32! (180deg=-1.68) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 1.5 (180deg=1.29) USER MOD Single : A 23 MET CE :methyl 149:sc= 0 (180deg=-0.831) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 82:sc= 0.699 USER MOD Single : A 36 HIS :FLIP no HD1:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 37 HIS :FLIP no HE2:sc= -0.1 F(o=-1.1,f=-0.1) USER MOD Single : A 40 ASN : amide:sc= -2.98! C(o=-3!,f=-6.1!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.39) USER MOD Single : A 53 THR OG1 : rot 180:sc=0.000168 USER MOD Single : A 54 SER OG : rot 88:sc= 1.18 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0156 F(o=-0.97,f=-0.016) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.102) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.753 K(o=0.75,f=-3.4!) USER MOD Single : A 71 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 72 SER OG : rot 60:sc= 0.0189 USER MOD Single : B 122 LYS NZ :NH3+ -177:sc= 1.38 (180deg=1.32) USER MOD Single : B 123 MET CE :methyl 158:sc= -0.337 (180deg=-0.995) USER MOD Single : B 129 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00335) USER MOD Single : B 133 SER OG : rot 86:sc= 0.559 USER MOD Single : B 136 HIS : no HD1:sc=-0.00649 X(o=-0.0065,f=-0.012) USER MOD Single : B 137 HIS :FLIP no HE2:sc= 0.0121 F(o=-1.2,f=0.012) USER MOD Single : B 139 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.102) USER MOD Single : B 140 ASN : amide:sc= -2.57! C(o=-2.6!,f=-5.2!) USER MOD Single : B 148 SER OG : rot 180:sc= 0 USER MOD Single : B 149 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.15) USER MOD Single : B 153 THR OG1 : rot 68:sc= 0.906 USER MOD Single : B 154 SER OG : rot 77:sc= 0.819 USER MOD Single : B 158 ASN : amide:sc= -0.0897 X(o=-0.09,f=0) USER MOD Single : B 163 LYS NZ :NH3+ -163:sc= -0.0516 (180deg=-0.353) USER MOD Single : B 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 166 TYR OH : rot 180:sc= 0 USER MOD Single : B 171 THR OG1 : rot 73:sc= 1.12 USER MOD Single : B 172 SER OG : rot 44:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 217 N GLY A 15 9.382 2.040 8.823 1.00 0.00 N ATOM 218 CA GLY A 15 8.165 2.546 8.177 1.00 0.00 C ATOM 219 C GLY A 15 7.636 1.657 7.056 1.00 0.00 C ATOM 220 O GLY A 15 6.584 1.017 7.214 1.00 0.00 O ATOM 0 HA2 GLY A 15 7.387 2.661 8.932 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.367 3.538 7.774 1.00 0.00 H new ATOM 224 N PRO A 16 8.337 1.576 5.925 1.00 0.00 N ATOM 225 CA PRO A 16 7.920 0.738 4.822 1.00 0.00 C ATOM 226 C PRO A 16 8.034 -0.763 5.172 1.00 0.00 C ATOM 227 O PRO A 16 7.119 -1.530 4.895 1.00 0.00 O ATOM 228 CB PRO A 16 8.876 1.135 3.683 1.00 0.00 C ATOM 229 CG PRO A 16 10.074 1.660 4.378 1.00 0.00 C ATOM 230 CD PRO A 16 9.573 2.317 5.622 1.00 0.00 C ATOM 0 HA PRO A 16 6.872 0.881 4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.123 0.279 3.055 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.430 1.889 3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.771 0.856 4.615 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.609 2.372 3.749 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.296 2.243 6.435 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.377 3.378 5.465 1.00 0.00 H new ATOM 238 N GLN A 17 9.115 -1.151 5.872 1.00 0.00 N ATOM 239 CA GLN A 17 9.370 -2.564 6.204 1.00 0.00 C ATOM 240 C GLN A 17 8.243 -3.168 7.059 1.00 0.00 C ATOM 241 O GLN A 17 7.733 -4.260 6.778 1.00 0.00 O ATOM 242 CB GLN A 17 10.721 -2.729 6.900 1.00 0.00 C ATOM 243 CG GLN A 17 11.063 -4.182 7.203 1.00 0.00 C ATOM 244 CD GLN A 17 12.391 -4.362 7.886 1.00 0.00 C ATOM 245 OE1 GLN A 17 12.842 -3.507 8.645 1.00 0.00 O ATOM 246 NE2 GLN A 17 13.039 -5.464 7.607 1.00 0.00 N ATOM 0 H GLN A 17 9.825 -0.506 6.218 1.00 0.00 H new ATOM 0 HA GLN A 17 9.396 -3.113 5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.502 -2.302 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.715 -2.162 7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.281 -4.606 7.832 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.064 -4.747 6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.630 -6.149 6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.953 -5.638 8.025 1.00 0.00 H new ATOM 255 N ASP A 18 7.831 -2.437 8.057 1.00 0.00 N ATOM 256 CA ASP A 18 6.745 -2.842 8.938 1.00 0.00 C ATOM 257 C ASP A 18 5.440 -2.838 8.182 1.00 0.00 C ATOM 258 O ASP A 18 4.496 -3.555 8.537 1.00 0.00 O ATOM 259 CB ASP A 18 6.671 -1.967 10.203 1.00 0.00 C ATOM 260 CG ASP A 18 5.506 -2.299 11.124 1.00 0.00 C ATOM 261 OD1 ASP A 18 5.356 -3.461 11.544 1.00 0.00 O ATOM 262 OD2 ASP A 18 4.709 -1.380 11.451 1.00 0.00 O ATOM 0 H ASP A 18 8.237 -1.532 8.293 1.00 0.00 H new ATOM 0 HA ASP A 18 6.945 -3.858 9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.602 -2.074 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.597 -0.921 9.904 1.00 0.00 H new ATOM 267 N PHE A 19 5.364 -2.006 7.136 1.00 0.00 N ATOM 268 CA PHE A 19 4.122 -1.849 6.391 1.00 0.00 C ATOM 269 C PHE A 19 3.751 -3.165 5.775 1.00 0.00 C ATOM 270 O PHE A 19 2.617 -3.593 5.858 1.00 0.00 O ATOM 271 CB PHE A 19 4.275 -0.842 5.270 1.00 0.00 C ATOM 272 CG PHE A 19 3.096 0.077 5.087 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.493 0.697 6.175 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.592 0.318 3.829 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.417 1.539 6.005 1.00 0.00 C ATOM 276 CE2 PHE A 19 1.516 1.162 3.648 1.00 0.00 C ATOM 277 CZ PHE A 19 0.929 1.777 4.742 1.00 0.00 C ATOM 0 H PHE A 19 6.141 -1.440 6.794 1.00 0.00 H new ATOM 0 HA PHE A 19 3.356 -1.501 7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.163 -0.239 5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.448 -1.379 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.874 0.516 7.169 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.045 -0.160 2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.958 2.011 6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.132 1.343 2.655 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.090 2.442 4.603 1.00 0.00 H new ATOM 287 N LEU A 20 4.721 -3.797 5.156 1.00 0.00 N ATOM 288 CA LEU A 20 4.464 -5.060 4.479 1.00 0.00 C ATOM 289 C LEU A 20 4.258 -6.156 5.501 1.00 0.00 C ATOM 290 O LEU A 20 3.321 -6.910 5.407 1.00 0.00 O ATOM 291 CB LEU A 20 5.562 -5.472 3.445 1.00 0.00 C ATOM 292 CG LEU A 20 6.401 -4.359 2.803 1.00 0.00 C ATOM 293 CD1 LEU A 20 5.606 -3.112 2.422 1.00 0.00 C ATOM 294 CD2 LEU A 20 7.640 -4.110 3.622 1.00 0.00 C ATOM 0 H LEU A 20 5.685 -3.468 5.103 1.00 0.00 H new ATOM 0 HA LEU A 20 3.557 -4.913 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.245 -6.162 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.074 -6.027 2.644 1.00 0.00 H new ATOM 0 HG LEU A 20 6.736 -4.710 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.275 -2.376 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.830 -3.380 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.144 -2.688 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.229 -3.319 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.355 -3.808 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.233 -5.023 3.671 1.00 0.00 H new ATOM 306 N LEU A 21 5.115 -6.191 6.523 1.00 0.00 N ATOM 307 CA LEU A 21 5.064 -7.234 7.574 1.00 0.00 C ATOM 308 C LEU A 21 3.727 -7.314 8.304 1.00 0.00 C ATOM 309 O LEU A 21 3.380 -8.360 8.868 1.00 0.00 O ATOM 310 CB LEU A 21 6.175 -7.058 8.597 1.00 0.00 C ATOM 311 CG LEU A 21 7.594 -7.246 8.097 1.00 0.00 C ATOM 312 CD1 LEU A 21 8.589 -6.895 9.188 1.00 0.00 C ATOM 313 CD2 LEU A 21 7.808 -8.681 7.669 1.00 0.00 C ATOM 0 H LEU A 21 5.861 -5.508 6.654 1.00 0.00 H new ATOM 0 HA LEU A 21 5.200 -8.171 7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.093 -6.057 9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.004 -7.763 9.410 1.00 0.00 H new ATOM 0 HG LEU A 21 7.749 -6.585 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.603 -7.035 8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.452 -5.855 9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.427 -7.543 10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.830 -8.805 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.637 -9.343 8.518 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.111 -8.930 6.869 1.00 0.00 H new ATOM 325 N LYS A 22 2.980 -6.239 8.306 1.00 0.00 N ATOM 326 CA LYS A 22 1.695 -6.238 8.983 1.00 0.00 C ATOM 327 C LYS A 22 0.585 -6.690 8.053 1.00 0.00 C ATOM 328 O LYS A 22 -0.549 -6.880 8.480 1.00 0.00 O ATOM 329 CB LYS A 22 1.357 -4.878 9.560 1.00 0.00 C ATOM 330 CG LYS A 22 1.191 -3.808 8.525 1.00 0.00 C ATOM 331 CD LYS A 22 0.582 -2.571 9.106 1.00 0.00 C ATOM 332 CE LYS A 22 1.462 -1.903 10.160 1.00 0.00 C ATOM 333 NZ LYS A 22 2.805 -1.581 9.657 1.00 0.00 N ATOM 0 H LYS A 22 3.230 -5.359 7.854 1.00 0.00 H new ATOM 0 HA LYS A 22 1.778 -6.945 9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.437 -4.957 10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.144 -4.582 10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.161 -3.567 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.562 -4.178 7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.385 -1.860 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.380 -2.823 9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.979 -0.989 10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.550 -2.562 11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.381 -1.192 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.255 -2.444 9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.731 -0.878 8.894 1.00 0.00 H new ATOM 347 N MET A 23 0.908 -6.875 6.791 1.00 0.00 N ATOM 348 CA MET A 23 -0.087 -7.268 5.820 1.00 0.00 C ATOM 349 C MET A 23 -0.286 -8.784 5.897 1.00 0.00 C ATOM 350 O MET A 23 0.703 -9.535 6.018 1.00 0.00 O ATOM 351 CB MET A 23 0.343 -6.893 4.393 1.00 0.00 C ATOM 352 CG MET A 23 0.674 -5.425 4.178 1.00 0.00 C ATOM 353 SD MET A 23 1.032 -5.056 2.446 1.00 0.00 S ATOM 354 CE MET A 23 1.337 -3.299 2.519 1.00 0.00 C ATOM 0 H MET A 23 1.849 -6.760 6.415 1.00 0.00 H new ATOM 0 HA MET A 23 -1.015 -6.743 6.048 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.216 -7.488 4.126 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.455 -7.173 3.705 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.163 -4.812 4.513 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.533 -5.154 4.791 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.061 -3.023 1.752 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.405 -2.760 2.348 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.732 -3.039 3.501 1.00 0.00 H new ATOM 364 N PRO A 24 -1.535 -9.267 5.876 1.00 0.00 N ATOM 365 CA PRO A 24 -1.817 -10.703 5.898 1.00 0.00 C ATOM 366 C PRO A 24 -1.261 -11.385 4.651 1.00 0.00 C ATOM 367 O PRO A 24 -1.580 -11.004 3.532 1.00 0.00 O ATOM 368 CB PRO A 24 -3.349 -10.794 5.926 1.00 0.00 C ATOM 369 CG PRO A 24 -3.828 -9.459 5.462 1.00 0.00 C ATOM 370 CD PRO A 24 -2.767 -8.463 5.831 1.00 0.00 C ATOM 0 HA PRO A 24 -1.355 -11.201 6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.708 -11.590 5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.712 -11.016 6.929 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.997 -9.462 4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.777 -9.204 5.933 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.696 -7.662 5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.975 -7.994 6.793 1.00 0.00 H new ATOM 378 N GLY A 25 -0.409 -12.354 4.850 1.00 0.00 N ATOM 379 CA GLY A 25 0.211 -13.032 3.756 1.00 0.00 C ATOM 380 C GLY A 25 1.703 -12.839 3.819 1.00 0.00 C ATOM 381 O GLY A 25 2.483 -13.671 3.363 1.00 0.00 O ATOM 0 H GLY A 25 -0.130 -12.691 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.030 -14.095 3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.175 -12.648 2.812 1.00 0.00 H new ATOM 385 N VAL A 26 2.095 -11.753 4.422 1.00 0.00 N ATOM 386 CA VAL A 26 3.478 -11.400 4.531 1.00 0.00 C ATOM 387 C VAL A 26 4.085 -11.942 5.813 1.00 0.00 C ATOM 388 O VAL A 26 3.485 -11.886 6.888 1.00 0.00 O ATOM 389 CB VAL A 26 3.664 -9.868 4.462 1.00 0.00 C ATOM 390 CG1 VAL A 26 5.126 -9.469 4.603 1.00 0.00 C ATOM 391 CG2 VAL A 26 3.094 -9.339 3.166 1.00 0.00 C ATOM 0 H VAL A 26 1.458 -11.084 4.854 1.00 0.00 H new ATOM 0 HA VAL A 26 3.998 -11.853 3.687 1.00 0.00 H new ATOM 0 HB VAL A 26 3.125 -9.426 5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.214 -8.384 4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.507 -9.817 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.706 -9.920 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.228 -8.258 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.611 -9.802 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.031 -9.575 3.113 1.00 0.00 H new ATOM 401 N ASN A 27 5.256 -12.481 5.675 1.00 0.00 N ATOM 402 CA ASN A 27 6.059 -12.985 6.763 1.00 0.00 C ATOM 403 C ASN A 27 7.430 -12.459 6.527 1.00 0.00 C ATOM 404 O ASN A 27 7.739 -12.103 5.404 1.00 0.00 O ATOM 405 CB ASN A 27 6.115 -14.522 6.794 1.00 0.00 C ATOM 406 CG ASN A 27 4.766 -15.174 6.966 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.277 -15.343 8.086 1.00 0.00 O ATOM 408 ND2 ASN A 27 4.186 -15.596 5.881 1.00 0.00 N ATOM 0 H ASN A 27 5.704 -12.590 4.765 1.00 0.00 H new ATOM 0 HA ASN A 27 5.631 -12.669 7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.566 -14.879 5.868 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.767 -14.837 7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.294 -16.087 5.938 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.623 -15.436 4.974 1.00 0.00 H new ATOM 415 N ALA A 28 8.268 -12.442 7.532 1.00 0.00 N ATOM 416 CA ALA A 28 9.616 -11.890 7.421 1.00 0.00 C ATOM 417 C ALA A 28 10.427 -12.560 6.320 1.00 0.00 C ATOM 418 O ALA A 28 11.265 -11.915 5.681 1.00 0.00 O ATOM 419 CB ALA A 28 10.343 -11.962 8.756 1.00 0.00 C ATOM 0 H ALA A 28 8.045 -12.809 8.457 1.00 0.00 H new ATOM 0 HA ALA A 28 9.510 -10.842 7.142 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.344 -11.545 8.648 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.791 -11.391 9.502 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.415 -13.002 9.075 1.00 0.00 H new ATOM 425 N LYS A 29 10.119 -13.821 6.039 1.00 0.00 N ATOM 426 CA LYS A 29 10.852 -14.565 5.037 1.00 0.00 C ATOM 427 C LYS A 29 10.467 -14.098 3.630 1.00 0.00 C ATOM 428 O LYS A 29 11.321 -13.853 2.760 1.00 0.00 O ATOM 429 CB LYS A 29 10.625 -16.083 5.208 1.00 0.00 C ATOM 430 CG LYS A 29 9.168 -16.542 5.088 1.00 0.00 C ATOM 431 CD LYS A 29 9.028 -18.057 5.183 1.00 0.00 C ATOM 432 CE LYS A 29 9.483 -18.598 6.532 1.00 0.00 C ATOM 433 NZ LYS A 29 9.335 -20.063 6.608 1.00 0.00 N ATOM 0 H LYS A 29 9.369 -14.343 6.492 1.00 0.00 H new ATOM 0 HA LYS A 29 11.916 -14.372 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.218 -16.609 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.005 -16.383 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.576 -16.075 5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.759 -16.201 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.987 -18.334 5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.614 -18.524 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.526 -18.328 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.901 -18.131 7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.654 -20.396 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.336 -20.318 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.910 -20.509 5.865 1.00 0.00 H new ATOM 447 N ASN A 30 9.204 -13.880 3.428 1.00 0.00 N ATOM 448 CA ASN A 30 8.756 -13.517 2.121 1.00 0.00 C ATOM 449 C ASN A 30 8.839 -12.035 1.926 1.00 0.00 C ATOM 450 O ASN A 30 8.894 -11.555 0.817 1.00 0.00 O ATOM 451 CB ASN A 30 7.367 -14.086 1.788 1.00 0.00 C ATOM 452 CG ASN A 30 6.187 -13.557 2.613 1.00 0.00 C ATOM 453 OD1 ASN A 30 6.160 -12.426 3.050 1.00 0.00 O ATOM 454 ND2 ASN A 30 5.218 -14.395 2.844 1.00 0.00 N ATOM 0 H ASN A 30 8.476 -13.946 4.139 1.00 0.00 H new ATOM 0 HA ASN A 30 9.432 -13.980 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.162 -13.888 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.406 -15.169 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.415 -14.105 3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.261 -15.342 2.467 1.00 0.00 H new ATOM 461 N CYS A 31 8.890 -11.327 3.025 1.00 0.00 N ATOM 462 CA CYS A 31 9.011 -9.905 3.018 1.00 0.00 C ATOM 463 C CYS A 31 10.412 -9.513 2.605 1.00 0.00 C ATOM 464 O CYS A 31 10.583 -8.572 1.875 1.00 0.00 O ATOM 465 CB CYS A 31 8.683 -9.336 4.385 1.00 0.00 C ATOM 466 SG CYS A 31 8.518 -7.546 4.435 1.00 0.00 S ATOM 0 H CYS A 31 8.848 -11.735 3.959 1.00 0.00 H new ATOM 0 HA CYS A 31 8.302 -9.494 2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.753 -9.783 4.736 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.464 -9.635 5.085 1.00 0.00 H new ATOM 0 HG CYS A 31 9.062 -7.090 5.524 1.00 0.00 H new ATOM 472 N ARG A 32 11.418 -10.262 3.055 1.00 0.00 N ATOM 473 CA ARG A 32 12.793 -9.976 2.659 1.00 0.00 C ATOM 474 C ARG A 32 12.943 -10.266 1.173 1.00 0.00 C ATOM 475 O ARG A 32 13.559 -9.509 0.422 1.00 0.00 O ATOM 476 CB ARG A 32 13.797 -10.783 3.503 1.00 0.00 C ATOM 477 CG ARG A 32 13.739 -12.284 3.322 1.00 0.00 C ATOM 478 CD ARG A 32 14.743 -12.775 2.279 1.00 0.00 C ATOM 479 NE ARG A 32 14.559 -14.192 1.983 1.00 0.00 N ATOM 480 CZ ARG A 32 15.421 -14.957 1.307 1.00 0.00 C ATOM 481 NH1 ARG A 32 16.593 -14.464 0.920 1.00 0.00 N ATOM 482 NH2 ARG A 32 15.116 -16.219 1.031 1.00 0.00 N ATOM 0 H ARG A 32 11.309 -11.058 3.683 1.00 0.00 H new ATOM 0 HA ARG A 32 13.014 -8.924 2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.804 -10.444 3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.628 -10.554 4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.939 -12.772 4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.732 -12.574 3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.631 -12.194 1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.757 -12.607 2.642 1.00 0.00 H new ATOM 0 HE ARG A 32 13.703 -14.634 2.319 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.837 -13.498 1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.248 -15.051 0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.223 -16.606 1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.775 -16.802 0.515 1.00 0.00 H new ATOM 496 N SER A 33 12.326 -11.347 0.758 1.00 0.00 N ATOM 497 CA SER A 33 12.302 -11.726 -0.636 1.00 0.00 C ATOM 498 C SER A 33 11.587 -10.633 -1.448 1.00 0.00 C ATOM 499 O SER A 33 11.990 -10.272 -2.567 1.00 0.00 O ATOM 500 CB SER A 33 11.577 -13.051 -0.761 1.00 0.00 C ATOM 501 OG SER A 33 12.227 -14.056 -0.006 1.00 0.00 O ATOM 0 H SER A 33 11.827 -11.988 1.375 1.00 0.00 H new ATOM 0 HA SER A 33 13.315 -11.834 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.548 -12.941 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.533 -13.349 -1.809 1.00 0.00 H new ATOM 0 HG SER A 33 11.948 -13.993 0.931 1.00 0.00 H new ATOM 507 N LEU A 34 10.566 -10.077 -0.837 1.00 0.00 N ATOM 508 CA LEU A 34 9.778 -9.022 -1.421 1.00 0.00 C ATOM 509 C LEU A 34 10.621 -7.769 -1.542 1.00 0.00 C ATOM 510 O LEU A 34 10.517 -7.064 -2.508 1.00 0.00 O ATOM 511 CB LEU A 34 8.591 -8.714 -0.547 1.00 0.00 C ATOM 512 CG LEU A 34 7.487 -7.903 -1.181 1.00 0.00 C ATOM 513 CD1 LEU A 34 6.525 -8.804 -1.946 1.00 0.00 C ATOM 514 CD2 LEU A 34 6.788 -7.058 -0.144 1.00 0.00 C ATOM 0 H LEU A 34 10.257 -10.352 0.095 1.00 0.00 H new ATOM 0 HA LEU A 34 9.436 -9.347 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.167 -9.657 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.945 -8.180 0.335 1.00 0.00 H new ATOM 0 HG LEU A 34 7.924 -7.219 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.738 -8.198 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.067 -9.333 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.081 -9.527 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.995 -6.480 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.357 -7.704 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.506 -6.379 0.316 1.00 0.00 H new ATOM 526 N MET A 35 11.490 -7.539 -0.555 1.00 0.00 N ATOM 527 CA MET A 35 12.409 -6.372 -0.537 1.00 0.00 C ATOM 528 C MET A 35 13.253 -6.387 -1.763 1.00 0.00 C ATOM 529 O MET A 35 13.595 -5.369 -2.326 1.00 0.00 O ATOM 530 CB MET A 35 13.365 -6.435 0.656 1.00 0.00 C ATOM 531 CG MET A 35 12.707 -6.468 1.990 1.00 0.00 C ATOM 532 SD MET A 35 11.941 -4.951 2.419 1.00 0.00 S ATOM 533 CE MET A 35 11.110 -5.501 3.856 1.00 0.00 C ATOM 0 H MET A 35 11.585 -8.148 0.258 1.00 0.00 H new ATOM 0 HA MET A 35 11.794 -5.474 -0.477 1.00 0.00 H new ATOM 0 HB2 MET A 35 13.990 -7.322 0.554 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.028 -5.571 0.616 1.00 0.00 H new ATOM 0 HG2 MET A 35 11.959 -7.261 2.000 1.00 0.00 H new ATOM 0 HG3 MET A 35 13.449 -6.720 2.748 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.242 -4.868 4.039 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.785 -6.532 3.716 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.785 -5.447 4.710 1.00 0.00 H new ATOM 543 N HIS A 36 13.607 -7.566 -2.158 1.00 0.00 N ATOM 544 CA HIS A 36 14.435 -7.739 -3.319 1.00 0.00 C ATOM 545 C HIS A 36 13.647 -7.637 -4.607 1.00 0.00 C ATOM 546 O HIS A 36 14.166 -7.150 -5.605 1.00 0.00 O ATOM 547 CB HIS A 36 15.254 -9.038 -3.258 1.00 0.00 C ATOM 548 CG HIS A 36 16.318 -9.033 -2.193 1.00 0.00 C ATOM 549 ND1 HIS A 36 16.246 -8.744 -0.875 1.00 0.00 N flip ATOM 550 CD2 HIS A 36 17.632 -9.360 -2.431 1.00 0.00 C flip ATOM 551 CE1 HIS A 36 17.491 -8.895 -0.351 1.00 0.00 C flip ATOM 552 NE2 HIS A 36 18.311 -9.267 -1.307 1.00 0.00 N flip ATOM 0 H HIS A 36 13.336 -8.433 -1.694 1.00 0.00 H new ATOM 0 HA HIS A 36 15.145 -6.912 -3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.579 -9.875 -3.080 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.723 -9.207 -4.227 1.00 0.00 H new ATOM 0 HD2 HIS A 36 18.042 -9.647 -3.388 1.00 0.00 H new ATOM 0 HE1 HIS A 36 17.762 -8.735 0.682 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.308 -9.453 -1.197 1.00 0.00 H new ATOM 561 N HIS A 37 12.381 -8.013 -4.578 1.00 0.00 N ATOM 562 CA HIS A 37 11.581 -8.036 -5.813 1.00 0.00 C ATOM 563 C HIS A 37 10.740 -6.784 -6.007 1.00 0.00 C ATOM 564 O HIS A 37 10.244 -6.522 -7.100 1.00 0.00 O ATOM 565 CB HIS A 37 10.670 -9.262 -5.869 1.00 0.00 C ATOM 566 CG HIS A 37 11.357 -10.561 -6.177 1.00 0.00 C ATOM 567 ND1 HIS A 37 11.913 -11.494 -5.372 1.00 0.00 N flip ATOM 568 CD2 HIS A 37 11.468 -11.055 -7.453 1.00 0.00 C flip ATOM 569 CE1 HIS A 37 12.331 -12.514 -6.171 1.00 0.00 C flip ATOM 570 NE2 HIS A 37 12.054 -12.226 -7.420 1.00 0.00 N flip ATOM 0 H HIS A 37 11.883 -8.303 -3.737 1.00 0.00 H new ATOM 0 HA HIS A 37 12.308 -8.080 -6.624 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.160 -9.359 -4.911 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.902 -9.089 -6.623 1.00 0.00 H new ATOM 0 HD1 HIS A 37 12.002 -11.443 -4.357 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.125 -10.555 -8.347 1.00 0.00 H new ATOM 0 HE1 HIS A 37 12.814 -13.418 -5.830 1.00 0.00 H new ATOM 579 N VAL A 38 10.595 -6.019 -4.981 1.00 0.00 N ATOM 580 CA VAL A 38 9.710 -4.877 -4.999 1.00 0.00 C ATOM 581 C VAL A 38 10.470 -3.624 -4.578 1.00 0.00 C ATOM 582 O VAL A 38 11.420 -3.700 -3.815 1.00 0.00 O ATOM 583 CB VAL A 38 8.483 -5.121 -4.035 1.00 0.00 C ATOM 584 CG1 VAL A 38 7.534 -3.952 -4.004 1.00 0.00 C ATOM 585 CG2 VAL A 38 7.714 -6.365 -4.434 1.00 0.00 C ATOM 0 H VAL A 38 11.083 -6.158 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 38 9.333 -4.738 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 38 8.904 -5.250 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.709 -4.171 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.062 -3.064 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.143 -3.774 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.875 -6.508 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.340 -6.251 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.373 -7.232 -4.385 1.00 0.00 H new ATOM 595 N LYS A 39 10.083 -2.494 -5.138 1.00 0.00 N ATOM 596 CA LYS A 39 10.641 -1.217 -4.755 1.00 0.00 C ATOM 597 C LYS A 39 10.021 -0.789 -3.440 1.00 0.00 C ATOM 598 O LYS A 39 10.709 -0.649 -2.439 1.00 0.00 O ATOM 599 CB LYS A 39 10.356 -0.186 -5.841 1.00 0.00 C ATOM 600 CG LYS A 39 10.871 1.206 -5.559 1.00 0.00 C ATOM 601 CD LYS A 39 10.652 2.132 -6.747 1.00 0.00 C ATOM 602 CE LYS A 39 9.182 2.466 -6.987 1.00 0.00 C ATOM 603 NZ LYS A 39 9.024 3.393 -8.140 1.00 0.00 N ATOM 0 H LYS A 39 9.374 -2.438 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 39 11.721 -1.300 -4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.795 -0.536 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.278 -0.133 -5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.366 1.611 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.934 1.161 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.206 3.057 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.063 1.666 -7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.624 1.549 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.758 2.920 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.015 3.603 -8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.538 4.276 -7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.408 2.948 -8.998 1.00 0.00 H new ATOM 617 N ASN A 40 8.722 -0.573 -3.466 1.00 0.00 N ATOM 618 CA ASN A 40 7.948 -0.252 -2.302 1.00 0.00 C ATOM 619 C ASN A 40 6.484 -0.497 -2.663 1.00 0.00 C ATOM 620 O ASN A 40 6.223 -1.015 -3.754 1.00 0.00 O ATOM 621 CB ASN A 40 8.181 1.221 -1.892 1.00 0.00 C ATOM 622 CG ASN A 40 7.518 1.590 -0.573 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.346 0.756 0.308 1.00 0.00 O ATOM 624 ND2 ASN A 40 7.111 2.794 -0.463 1.00 0.00 N ATOM 0 H ASN A 40 8.169 -0.619 -4.322 1.00 0.00 H new ATOM 0 HA ASN A 40 8.239 -0.869 -1.452 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.253 1.405 -1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.801 1.874 -2.677 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.623 3.092 0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.274 3.459 -1.219 1.00 0.00 H new ATOM 631 N ILE A 41 5.583 -0.123 -1.762 1.00 0.00 N ATOM 632 CA ILE A 41 4.109 -0.161 -1.856 1.00 0.00 C ATOM 633 C ILE A 41 3.579 -0.148 -3.299 1.00 0.00 C ATOM 634 O ILE A 41 2.815 -1.031 -3.679 1.00 0.00 O ATOM 635 CB ILE A 41 3.560 1.090 -1.138 1.00 0.00 C ATOM 636 CG1 ILE A 41 3.995 1.104 0.334 1.00 0.00 C ATOM 637 CG2 ILE A 41 2.030 1.183 -1.251 1.00 0.00 C ATOM 638 CD1 ILE A 41 3.633 2.374 1.070 1.00 0.00 C ATOM 0 H ILE A 41 5.882 0.250 -0.861 1.00 0.00 H new ATOM 0 HA ILE A 41 3.780 -1.096 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 41 3.981 1.965 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.538 0.257 0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.075 0.962 0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.681 2.076 -0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.745 1.238 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.577 0.301 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.974 2.306 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.112 3.225 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.551 2.509 1.053 1.00 0.00 H new ATOM 650 N ALA A 42 3.995 0.853 -4.082 1.00 0.00 N ATOM 651 CA ALA A 42 3.552 0.992 -5.476 1.00 0.00 C ATOM 652 C ALA A 42 3.775 -0.269 -6.296 1.00 0.00 C ATOM 653 O ALA A 42 2.859 -0.767 -6.918 1.00 0.00 O ATOM 654 CB ALA A 42 4.218 2.169 -6.126 1.00 0.00 C ATOM 0 H ALA A 42 4.639 1.581 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 42 2.475 1.160 -5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.877 2.256 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.962 3.078 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.299 2.029 -6.111 1.00 0.00 H new ATOM 660 N GLU A 43 4.969 -0.806 -6.225 1.00 0.00 N ATOM 661 CA GLU A 43 5.326 -1.987 -6.992 1.00 0.00 C ATOM 662 C GLU A 43 4.673 -3.206 -6.391 1.00 0.00 C ATOM 663 O GLU A 43 4.298 -4.107 -7.100 1.00 0.00 O ATOM 664 CB GLU A 43 6.843 -2.164 -7.038 1.00 0.00 C ATOM 665 CG GLU A 43 7.608 -0.979 -7.598 1.00 0.00 C ATOM 666 CD GLU A 43 7.099 -0.534 -8.922 1.00 0.00 C ATOM 667 OE1 GLU A 43 7.463 -1.133 -9.938 1.00 0.00 O ATOM 668 OE2 GLU A 43 6.339 0.431 -8.969 1.00 0.00 O ATOM 0 H GLU A 43 5.721 -0.443 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 43 4.968 -1.860 -8.014 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.201 -2.365 -6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.073 -3.044 -7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.548 -0.149 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.661 -1.244 -7.690 1.00 0.00 H new ATOM 675 N LEU A 44 4.525 -3.206 -5.076 1.00 0.00 N ATOM 676 CA LEU A 44 3.867 -4.295 -4.364 1.00 0.00 C ATOM 677 C LEU A 44 2.436 -4.445 -4.842 1.00 0.00 C ATOM 678 O LEU A 44 1.997 -5.532 -5.189 1.00 0.00 O ATOM 679 CB LEU A 44 3.898 -4.031 -2.847 1.00 0.00 C ATOM 680 CG LEU A 44 3.122 -5.009 -1.961 1.00 0.00 C ATOM 681 CD1 LEU A 44 3.578 -6.433 -2.197 1.00 0.00 C ATOM 682 CD2 LEU A 44 3.290 -4.638 -0.499 1.00 0.00 C ATOM 0 H LEU A 44 4.856 -2.454 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 44 4.402 -5.222 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.939 -4.031 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.509 -3.029 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 44 2.066 -4.943 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.011 -7.108 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.412 -6.700 -3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.640 -6.518 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.733 -5.341 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.346 -4.677 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.911 -3.629 -0.334 1.00 0.00 H new ATOM 694 N ALA A 45 1.743 -3.336 -4.906 1.00 0.00 N ATOM 695 CA ALA A 45 0.374 -3.325 -5.310 1.00 0.00 C ATOM 696 C ALA A 45 0.230 -3.389 -6.827 1.00 0.00 C ATOM 697 O ALA A 45 -0.871 -3.607 -7.354 1.00 0.00 O ATOM 698 CB ALA A 45 -0.322 -2.117 -4.734 1.00 0.00 C ATOM 0 H ALA A 45 2.121 -2.416 -4.677 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.107 -4.221 -4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.366 -2.115 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.269 -2.151 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.166 -1.211 -5.093 1.00 0.00 H new ATOM 704 N ALA A 46 1.333 -3.179 -7.523 1.00 0.00 N ATOM 705 CA ALA A 46 1.343 -3.242 -8.969 1.00 0.00 C ATOM 706 C ALA A 46 1.565 -4.659 -9.427 1.00 0.00 C ATOM 707 O ALA A 46 1.170 -5.036 -10.540 1.00 0.00 O ATOM 708 CB ALA A 46 2.412 -2.335 -9.557 1.00 0.00 C ATOM 0 H ALA A 46 2.238 -2.962 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 46 0.372 -2.896 -9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.392 -2.407 -10.644 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.220 -1.305 -9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.392 -2.643 -9.191 1.00 0.00 H new ATOM 714 N LEU A 47 2.206 -5.445 -8.587 1.00 0.00 N ATOM 715 CA LEU A 47 2.463 -6.805 -8.918 1.00 0.00 C ATOM 716 C LEU A 47 1.196 -7.648 -8.860 1.00 0.00 C ATOM 717 O LEU A 47 0.297 -7.403 -8.047 1.00 0.00 O ATOM 718 CB LEU A 47 3.559 -7.409 -8.049 1.00 0.00 C ATOM 719 CG LEU A 47 4.957 -6.823 -8.239 1.00 0.00 C ATOM 720 CD1 LEU A 47 5.941 -7.504 -7.320 1.00 0.00 C ATOM 721 CD2 LEU A 47 5.416 -6.947 -9.687 1.00 0.00 C ATOM 0 H LEU A 47 2.553 -5.153 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 47 2.822 -6.812 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.275 -7.290 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.605 -8.480 -8.247 1.00 0.00 H new ATOM 0 HG LEU A 47 4.913 -5.763 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.933 -7.076 -7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.633 -7.359 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.970 -8.570 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.414 -6.521 -9.790 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.439 -7.999 -9.973 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.724 -6.410 -10.335 1.00 0.00 H new ATOM 733 N SER A 48 1.111 -8.600 -9.751 1.00 0.00 N ATOM 734 CA SER A 48 -0.011 -9.505 -9.811 1.00 0.00 C ATOM 735 C SER A 48 0.128 -10.577 -8.708 1.00 0.00 C ATOM 736 O SER A 48 1.207 -10.725 -8.111 1.00 0.00 O ATOM 737 CB SER A 48 -0.022 -10.144 -11.188 1.00 0.00 C ATOM 738 OG SER A 48 0.155 -9.158 -12.196 1.00 0.00 O ATOM 0 H SER A 48 1.822 -8.772 -10.461 1.00 0.00 H new ATOM 0 HA SER A 48 -0.948 -8.974 -9.646 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.771 -10.889 -11.256 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.965 -10.668 -11.345 1.00 0.00 H new ATOM 0 HG SER A 48 0.147 -9.586 -13.077 1.00 0.00 H new ATOM 744 N GLN A 49 -0.931 -11.351 -8.473 1.00 0.00 N ATOM 745 CA GLN A 49 -0.923 -12.378 -7.437 1.00 0.00 C ATOM 746 C GLN A 49 0.108 -13.438 -7.776 1.00 0.00 C ATOM 747 O GLN A 49 0.774 -13.964 -6.906 1.00 0.00 O ATOM 748 CB GLN A 49 -2.295 -13.041 -7.311 1.00 0.00 C ATOM 749 CG GLN A 49 -2.375 -14.063 -6.188 1.00 0.00 C ATOM 750 CD GLN A 49 -3.638 -14.890 -6.236 1.00 0.00 C ATOM 751 OE1 GLN A 49 -4.681 -14.427 -6.677 1.00 0.00 O ATOM 752 NE2 GLN A 49 -3.551 -16.120 -5.806 1.00 0.00 N ATOM 0 H GLN A 49 -1.808 -11.284 -8.990 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.674 -11.901 -6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.048 -12.271 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.542 -13.529 -8.254 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.511 -14.725 -6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.320 -13.547 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.665 -16.472 -5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.369 -16.728 -5.831 1.00 0.00 H new ATOM 761 N ASP A 50 0.273 -13.691 -9.061 1.00 0.00 N ATOM 762 CA ASP A 50 1.215 -14.714 -9.534 1.00 0.00 C ATOM 763 C ASP A 50 2.632 -14.301 -9.255 1.00 0.00 C ATOM 764 O ASP A 50 3.509 -15.139 -9.018 1.00 0.00 O ATOM 765 CB ASP A 50 1.045 -15.016 -11.019 1.00 0.00 C ATOM 766 CG ASP A 50 -0.313 -15.564 -11.355 1.00 0.00 C ATOM 767 OD1 ASP A 50 -0.700 -16.634 -10.826 1.00 0.00 O ATOM 768 OD2 ASP A 50 -1.048 -14.914 -12.133 1.00 0.00 O ATOM 0 H ASP A 50 -0.229 -13.206 -9.805 1.00 0.00 H new ATOM 0 HA ASP A 50 0.990 -15.627 -8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.214 -14.104 -11.591 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.806 -15.732 -11.328 1.00 0.00 H new ATOM 773 N GLU A 51 2.856 -13.002 -9.239 1.00 0.00 N ATOM 774 CA GLU A 51 4.152 -12.461 -8.923 1.00 0.00 C ATOM 775 C GLU A 51 4.410 -12.707 -7.456 1.00 0.00 C ATOM 776 O GLU A 51 5.499 -13.105 -7.060 1.00 0.00 O ATOM 777 CB GLU A 51 4.210 -10.961 -9.221 1.00 0.00 C ATOM 778 CG GLU A 51 3.890 -10.591 -10.662 1.00 0.00 C ATOM 779 CD GLU A 51 4.792 -11.275 -11.652 1.00 0.00 C ATOM 780 OE1 GLU A 51 5.916 -10.801 -11.880 1.00 0.00 O ATOM 781 OE2 GLU A 51 4.387 -12.300 -12.223 1.00 0.00 O ATOM 0 H GLU A 51 2.145 -12.300 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 51 4.912 -12.946 -9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.511 -10.445 -8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.207 -10.593 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.855 -10.854 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.977 -9.511 -10.783 1.00 0.00 H new ATOM 788 N LEU A 52 3.369 -12.528 -6.659 1.00 0.00 N ATOM 789 CA LEU A 52 3.445 -12.767 -5.237 1.00 0.00 C ATOM 790 C LEU A 52 3.699 -14.247 -4.967 1.00 0.00 C ATOM 791 O LEU A 52 4.511 -14.582 -4.138 1.00 0.00 O ATOM 792 CB LEU A 52 2.172 -12.304 -4.515 1.00 0.00 C ATOM 793 CG LEU A 52 1.767 -10.842 -4.708 1.00 0.00 C ATOM 794 CD1 LEU A 52 0.527 -10.516 -3.898 1.00 0.00 C ATOM 795 CD2 LEU A 52 2.915 -9.900 -4.370 1.00 0.00 C ATOM 0 H LEU A 52 2.454 -12.214 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 52 4.277 -12.182 -4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.345 -12.933 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.302 -12.483 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 52 1.527 -10.696 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.257 -9.471 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.296 -11.154 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.727 -10.688 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.595 -8.869 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.209 -10.043 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.764 -10.113 -5.020 1.00 0.00 H new ATOM 807 N THR A 53 3.024 -15.127 -5.697 1.00 0.00 N ATOM 808 CA THR A 53 3.223 -16.568 -5.552 1.00 0.00 C ATOM 809 C THR A 53 4.681 -16.937 -5.859 1.00 0.00 C ATOM 810 O THR A 53 5.228 -17.860 -5.282 1.00 0.00 O ATOM 811 CB THR A 53 2.302 -17.351 -6.505 1.00 0.00 C ATOM 812 OG1 THR A 53 0.970 -16.833 -6.408 1.00 0.00 O ATOM 813 CG2 THR A 53 2.277 -18.827 -6.132 1.00 0.00 C ATOM 0 H THR A 53 2.331 -14.868 -6.399 1.00 0.00 H new ATOM 0 HA THR A 53 2.982 -16.833 -4.523 1.00 0.00 H new ATOM 0 HB THR A 53 2.681 -17.243 -7.521 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.381 -17.328 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.621 -19.364 -6.817 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.285 -19.236 -6.199 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.907 -18.938 -5.113 1.00 0.00 H new ATOM 821 N SER A 54 5.288 -16.212 -6.756 1.00 0.00 N ATOM 822 CA SER A 54 6.634 -16.424 -7.120 1.00 0.00 C ATOM 823 C SER A 54 7.599 -15.935 -6.017 1.00 0.00 C ATOM 824 O SER A 54 8.526 -16.640 -5.625 1.00 0.00 O ATOM 825 CB SER A 54 6.852 -15.725 -8.437 1.00 0.00 C ATOM 826 OG SER A 54 5.957 -16.252 -9.426 1.00 0.00 O ATOM 0 H SER A 54 4.839 -15.445 -7.257 1.00 0.00 H new ATOM 0 HA SER A 54 6.845 -17.487 -7.232 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.689 -14.654 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.884 -15.857 -8.762 1.00 0.00 H new ATOM 0 HG SER A 54 5.108 -15.764 -9.392 1.00 0.00 H new ATOM 832 N ILE A 55 7.336 -14.743 -5.499 1.00 0.00 N ATOM 833 CA ILE A 55 8.170 -14.135 -4.466 1.00 0.00 C ATOM 834 C ILE A 55 8.033 -14.882 -3.137 1.00 0.00 C ATOM 835 O ILE A 55 9.030 -15.316 -2.539 1.00 0.00 O ATOM 836 CB ILE A 55 7.765 -12.651 -4.242 1.00 0.00 C ATOM 837 CG1 ILE A 55 7.930 -11.851 -5.538 1.00 0.00 C ATOM 838 CG2 ILE A 55 8.596 -12.029 -3.115 1.00 0.00 C ATOM 839 CD1 ILE A 55 7.341 -10.456 -5.486 1.00 0.00 C ATOM 0 H ILE A 55 6.541 -14.170 -5.781 1.00 0.00 H new ATOM 0 HA ILE A 55 9.203 -14.191 -4.808 1.00 0.00 H new ATOM 0 HB ILE A 55 6.716 -12.620 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.992 -11.776 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.461 -12.401 -6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.298 -10.990 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.429 -12.583 -2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.653 -12.070 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.500 -9.958 -6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.272 -10.520 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.826 -9.885 -4.694 1.00 0.00 H new ATOM 851 N LEU A 56 6.805 -15.029 -2.698 1.00 0.00 N ATOM 852 CA LEU A 56 6.507 -15.619 -1.412 1.00 0.00 C ATOM 853 C LEU A 56 6.675 -17.135 -1.495 1.00 0.00 C ATOM 854 O LEU A 56 7.062 -17.784 -0.530 1.00 0.00 O ATOM 855 CB LEU A 56 5.065 -15.262 -0.973 1.00 0.00 C ATOM 856 CG LEU A 56 4.572 -13.810 -1.252 1.00 0.00 C ATOM 857 CD1 LEU A 56 3.225 -13.583 -0.643 1.00 0.00 C ATOM 858 CD2 LEU A 56 5.538 -12.748 -0.773 1.00 0.00 C ATOM 0 H LEU A 56 5.980 -14.742 -3.225 1.00 0.00 H new ATOM 0 HA LEU A 56 7.198 -15.221 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.381 -15.951 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.983 -15.446 0.098 1.00 0.00 H new ATOM 0 HG LEU A 56 4.507 -13.716 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.899 -12.563 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.510 -14.286 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.283 -13.734 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.134 -11.761 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.681 -12.845 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.496 -12.872 -1.279 1.00 0.00 H new ATOM 870 N GLY A 57 6.382 -17.679 -2.662 1.00 0.00 N ATOM 871 CA GLY A 57 6.537 -19.100 -2.915 1.00 0.00 C ATOM 872 C GLY A 57 5.346 -19.915 -2.471 1.00 0.00 C ATOM 873 O GLY A 57 5.370 -21.149 -2.526 1.00 0.00 O ATOM 0 H GLY A 57 6.031 -17.150 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.700 -19.257 -3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.428 -19.459 -2.400 1.00 0.00 H new ATOM 877 N ASN A 58 4.302 -19.240 -2.032 1.00 0.00 N ATOM 878 CA ASN A 58 3.087 -19.908 -1.599 1.00 0.00 C ATOM 879 C ASN A 58 1.920 -19.062 -2.023 1.00 0.00 C ATOM 880 O ASN A 58 1.832 -17.884 -1.626 1.00 0.00 O ATOM 881 CB ASN A 58 3.009 -20.087 -0.056 1.00 0.00 C ATOM 882 CG ASN A 58 4.301 -19.826 0.681 1.00 0.00 C ATOM 883 OD1 ASN A 58 4.468 -18.618 1.104 1.00 0.00 O flip ATOM 884 ND2 ASN A 58 5.125 -20.723 0.889 1.00 0.00 N flip ATOM 0 H ASN A 58 4.270 -18.223 -1.965 1.00 0.00 H new ATOM 0 HA ASN A 58 3.077 -20.901 -2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.243 -19.417 0.335 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.683 -21.104 0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.954 -21.665 0.537 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.977 -20.522 1.413 1.00 0.00 H new ATOM 891 N ALA A 59 1.024 -19.647 -2.800 1.00 0.00 N ATOM 892 CA ALA A 59 -0.167 -18.970 -3.300 1.00 0.00 C ATOM 893 C ALA A 59 -1.078 -18.540 -2.169 1.00 0.00 C ATOM 894 O ALA A 59 -1.861 -17.625 -2.329 1.00 0.00 O ATOM 895 CB ALA A 59 -0.931 -19.850 -4.273 1.00 0.00 C ATOM 0 H ALA A 59 1.101 -20.617 -3.107 1.00 0.00 H new ATOM 0 HA ALA A 59 0.171 -18.078 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.814 -19.318 -4.629 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.291 -20.097 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.238 -20.767 -3.770 1.00 0.00 H new ATOM 901 N ALA A 60 -0.958 -19.199 -1.023 1.00 0.00 N ATOM 902 CA ALA A 60 -1.734 -18.844 0.150 1.00 0.00 C ATOM 903 C ALA A 60 -1.361 -17.456 0.592 1.00 0.00 C ATOM 904 O ALA A 60 -2.197 -16.584 0.702 1.00 0.00 O ATOM 905 CB ALA A 60 -1.467 -19.811 1.269 1.00 0.00 C ATOM 0 H ALA A 60 -0.325 -19.987 -0.885 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.793 -18.882 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.057 -19.530 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.742 -20.817 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.408 -19.788 1.525 1.00 0.00 H new ATOM 911 N ASN A 61 -0.070 -17.248 0.779 1.00 0.00 N ATOM 912 CA ASN A 61 0.467 -15.961 1.204 1.00 0.00 C ATOM 913 C ASN A 61 0.180 -14.916 0.138 1.00 0.00 C ATOM 914 O ASN A 61 -0.170 -13.784 0.441 1.00 0.00 O ATOM 915 CB ASN A 61 1.989 -16.060 1.433 1.00 0.00 C ATOM 916 CG ASN A 61 2.443 -16.810 2.695 1.00 0.00 C ATOM 917 OD1 ASN A 61 3.539 -16.593 3.187 1.00 0.00 O ATOM 918 ND2 ASN A 61 1.639 -17.664 3.219 1.00 0.00 N ATOM 0 H ASN A 61 0.640 -17.967 0.641 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.010 -15.673 2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.434 -16.549 0.566 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.395 -15.049 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.913 -18.173 4.059 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.727 -17.833 2.795 1.00 0.00 H new ATOM 925 N ALA A 62 0.267 -15.348 -1.115 1.00 0.00 N ATOM 926 CA ALA A 62 0.083 -14.491 -2.270 1.00 0.00 C ATOM 927 C ALA A 62 -1.341 -14.006 -2.360 1.00 0.00 C ATOM 928 O ALA A 62 -1.580 -12.836 -2.573 1.00 0.00 O ATOM 929 CB ALA A 62 0.445 -15.249 -3.532 1.00 0.00 C ATOM 0 H ALA A 62 0.470 -16.318 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 62 0.735 -13.625 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.305 -14.602 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.487 -15.566 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.196 -16.125 -3.627 1.00 0.00 H new ATOM 935 N LYS A 63 -2.280 -14.899 -2.157 1.00 0.00 N ATOM 936 CA LYS A 63 -3.661 -14.566 -2.287 1.00 0.00 C ATOM 937 C LYS A 63 -4.138 -13.763 -1.091 1.00 0.00 C ATOM 938 O LYS A 63 -4.985 -12.891 -1.232 1.00 0.00 O ATOM 939 CB LYS A 63 -4.508 -15.821 -2.536 1.00 0.00 C ATOM 940 CG LYS A 63 -5.990 -15.527 -2.724 1.00 0.00 C ATOM 941 CD LYS A 63 -6.783 -16.755 -3.117 1.00 0.00 C ATOM 942 CE LYS A 63 -8.261 -16.419 -3.316 1.00 0.00 C ATOM 943 NZ LYS A 63 -8.922 -15.992 -2.057 1.00 0.00 N ATOM 0 H LYS A 63 -2.100 -15.869 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.785 -13.928 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.132 -16.333 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.385 -16.505 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.396 -15.118 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.110 -14.761 -3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.376 -17.175 -4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.682 -17.519 -2.346 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.353 -15.626 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.778 -17.291 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.950 -15.940 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.715 -16.681 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.564 -15.056 -1.777 1.00 0.00 H new ATOM 957 N GLN A 64 -3.577 -14.036 0.080 1.00 0.00 N ATOM 958 CA GLN A 64 -3.913 -13.269 1.272 1.00 0.00 C ATOM 959 C GLN A 64 -3.461 -11.828 1.114 1.00 0.00 C ATOM 960 O GLN A 64 -4.212 -10.881 1.421 1.00 0.00 O ATOM 961 CB GLN A 64 -3.307 -13.886 2.532 1.00 0.00 C ATOM 962 CG GLN A 64 -3.825 -15.263 2.852 1.00 0.00 C ATOM 963 CD GLN A 64 -3.343 -15.748 4.195 1.00 0.00 C ATOM 964 OE1 GLN A 64 -3.998 -15.559 5.216 1.00 0.00 O ATOM 965 NE2 GLN A 64 -2.183 -16.327 4.208 1.00 0.00 N ATOM 0 H GLN A 64 -2.892 -14.777 0.229 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.997 -13.291 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.224 -13.935 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.507 -13.228 3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.915 -15.253 2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.504 -15.960 2.078 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.672 -16.464 3.336 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.782 -16.645 5.090 1.00 0.00 H new ATOM 974 N LEU A 65 -2.259 -11.674 0.597 1.00 0.00 N ATOM 975 CA LEU A 65 -1.677 -10.378 0.359 1.00 0.00 C ATOM 976 C LEU A 65 -2.422 -9.666 -0.765 1.00 0.00 C ATOM 977 O LEU A 65 -2.824 -8.510 -0.616 1.00 0.00 O ATOM 978 CB LEU A 65 -0.183 -10.540 0.045 1.00 0.00 C ATOM 979 CG LEU A 65 0.615 -9.276 -0.272 1.00 0.00 C ATOM 980 CD1 LEU A 65 0.469 -8.244 0.837 1.00 0.00 C ATOM 981 CD2 LEU A 65 2.078 -9.638 -0.464 1.00 0.00 C ATOM 0 H LEU A 65 -1.658 -12.453 0.330 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.770 -9.759 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.288 -11.030 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.090 -11.218 -0.804 1.00 0.00 H new ATOM 0 HG LEU A 65 0.224 -8.837 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.047 -7.355 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.581 -7.975 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.837 -8.662 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.649 -8.738 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.463 -10.092 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.173 -10.344 -1.289 1.00 0.00 H new ATOM 993 N TYR A 66 -2.651 -10.376 -1.865 1.00 0.00 N ATOM 994 CA TYR A 66 -3.378 -9.838 -3.008 1.00 0.00 C ATOM 995 C TYR A 66 -4.764 -9.341 -2.589 1.00 0.00 C ATOM 996 O TYR A 66 -5.211 -8.257 -3.031 1.00 0.00 O ATOM 997 CB TYR A 66 -3.474 -10.903 -4.129 1.00 0.00 C ATOM 998 CG TYR A 66 -4.320 -10.511 -5.324 1.00 0.00 C ATOM 999 CD1 TYR A 66 -5.697 -10.705 -5.313 1.00 0.00 C ATOM 1000 CD2 TYR A 66 -3.751 -9.947 -6.452 1.00 0.00 C ATOM 1001 CE1 TYR A 66 -6.476 -10.347 -6.381 1.00 0.00 C ATOM 1002 CE2 TYR A 66 -4.532 -9.584 -7.532 1.00 0.00 C ATOM 1003 CZ TYR A 66 -5.898 -9.790 -7.485 1.00 0.00 C ATOM 1004 OH TYR A 66 -6.692 -9.413 -8.541 1.00 0.00 O ATOM 0 H TYR A 66 -2.338 -11.339 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.830 -8.981 -3.399 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.467 -11.132 -4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.880 -11.820 -3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -6.162 -11.147 -4.444 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.683 -9.789 -6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -7.544 -10.505 -6.350 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.078 -9.142 -8.407 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.134 -9.032 -9.251 1.00 0.00 H new ATOM 1014 N ASP A 67 -5.420 -10.121 -1.750 1.00 0.00 N ATOM 1015 CA ASP A 67 -6.730 -9.789 -1.205 1.00 0.00 C ATOM 1016 C ASP A 67 -6.673 -8.478 -0.453 1.00 0.00 C ATOM 1017 O ASP A 67 -7.471 -7.578 -0.707 1.00 0.00 O ATOM 1018 CB ASP A 67 -7.215 -10.901 -0.270 1.00 0.00 C ATOM 1019 CG ASP A 67 -8.494 -10.568 0.468 1.00 0.00 C ATOM 1020 OD1 ASP A 67 -9.598 -10.848 -0.051 1.00 0.00 O ATOM 1021 OD2 ASP A 67 -8.415 -10.062 1.604 1.00 0.00 O ATOM 0 H ASP A 67 -5.056 -11.015 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.431 -9.691 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.369 -11.810 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.433 -11.117 0.458 1.00 0.00 H new ATOM 1026 N PHE A 68 -5.692 -8.348 0.421 1.00 0.00 N ATOM 1027 CA PHE A 68 -5.536 -7.152 1.238 1.00 0.00 C ATOM 1028 C PHE A 68 -5.223 -5.929 0.380 1.00 0.00 C ATOM 1029 O PHE A 68 -5.665 -4.844 0.675 1.00 0.00 O ATOM 1030 CB PHE A 68 -4.452 -7.350 2.291 1.00 0.00 C ATOM 1031 CG PHE A 68 -4.332 -6.191 3.256 1.00 0.00 C ATOM 1032 CD1 PHE A 68 -5.421 -5.808 4.035 1.00 0.00 C ATOM 1033 CD2 PHE A 68 -3.152 -5.471 3.369 1.00 0.00 C ATOM 1034 CE1 PHE A 68 -5.332 -4.739 4.906 1.00 0.00 C ATOM 1035 CE2 PHE A 68 -3.060 -4.398 4.241 1.00 0.00 C ATOM 1036 CZ PHE A 68 -4.151 -4.032 5.008 1.00 0.00 C ATOM 0 H PHE A 68 -4.983 -9.062 0.586 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.485 -6.976 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.663 -8.260 2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.494 -7.498 1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.349 -6.355 3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.296 -5.749 2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.185 -4.457 5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.135 -3.847 4.322 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.079 -3.194 5.686 1.00 0.00 H new ATOM 1046 N ILE A 69 -4.462 -6.133 -0.677 1.00 0.00 N ATOM 1047 CA ILE A 69 -4.101 -5.069 -1.620 1.00 0.00 C ATOM 1048 C ILE A 69 -5.327 -4.557 -2.396 1.00 0.00 C ATOM 1049 O ILE A 69 -5.426 -3.369 -2.744 1.00 0.00 O ATOM 1050 CB ILE A 69 -3.036 -5.588 -2.635 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -1.731 -5.905 -1.921 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -2.792 -4.587 -3.754 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -0.712 -6.564 -2.817 1.00 0.00 C ATOM 0 H ILE A 69 -4.070 -7.044 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.691 -4.244 -1.037 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.428 -6.501 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.311 -4.983 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.937 -6.558 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.044 -4.984 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.723 -4.410 -4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.434 -3.648 -3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.196 -6.765 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.116 -7.502 -3.199 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.479 -5.903 -3.652 1.00 0.00 H new ATOM 1065 N HIS A 70 -6.254 -5.439 -2.656 1.00 0.00 N ATOM 1066 CA HIS A 70 -7.389 -5.089 -3.510 1.00 0.00 C ATOM 1067 C HIS A 70 -8.682 -4.777 -2.781 1.00 0.00 C ATOM 1068 O HIS A 70 -9.428 -3.951 -3.253 1.00 0.00 O ATOM 1069 CB HIS A 70 -7.609 -6.124 -4.607 1.00 0.00 C ATOM 1070 CG HIS A 70 -6.507 -6.136 -5.609 1.00 0.00 C ATOM 1071 ND1 HIS A 70 -5.298 -6.728 -5.373 1.00 0.00 N ATOM 1072 CD2 HIS A 70 -6.410 -5.562 -6.826 1.00 0.00 C ATOM 1073 CE1 HIS A 70 -4.500 -6.508 -6.390 1.00 0.00 C ATOM 1074 NE2 HIS A 70 -5.148 -5.809 -7.285 1.00 0.00 N ATOM 0 H HIS A 70 -6.260 -6.395 -2.301 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.096 -4.144 -3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.697 -7.113 -4.157 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.553 -5.918 -5.112 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.054 -7.258 -4.536 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.184 -5.011 -7.340 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.478 -6.847 -6.474 1.00 0.00 H new ATOM 1083 N THR A 71 -8.919 -5.408 -1.646 1.00 0.00 N ATOM 1084 CA THR A 71 -10.163 -5.241 -0.885 1.00 0.00 C ATOM 1085 C THR A 71 -10.488 -3.789 -0.538 1.00 0.00 C ATOM 1086 O THR A 71 -9.913 -3.220 0.381 1.00 0.00 O ATOM 1087 CB THR A 71 -10.140 -6.114 0.389 1.00 0.00 C ATOM 1088 OG1 THR A 71 -10.091 -7.496 0.001 1.00 0.00 O ATOM 1089 CG2 THR A 71 -11.359 -5.871 1.277 1.00 0.00 C ATOM 0 H THR A 71 -8.258 -6.055 -1.217 1.00 0.00 H new ATOM 0 HA THR A 71 -10.965 -5.576 -1.543 1.00 0.00 H new ATOM 0 HB THR A 71 -9.258 -5.845 0.971 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.232 -7.684 -0.431 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.298 -6.507 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.383 -4.825 1.584 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.267 -6.107 0.722 1.00 0.00 H new ATOM 1097 N SER A 72 -11.415 -3.219 -1.299 1.00 0.00 N ATOM 1098 CA SER A 72 -11.886 -1.875 -1.084 1.00 0.00 C ATOM 1099 C SER A 72 -12.362 -1.694 0.346 1.00 0.00 C ATOM 1100 O SER A 72 -12.925 -2.629 0.975 1.00 0.00 O ATOM 1101 CB SER A 72 -13.018 -1.517 -2.074 1.00 0.00 C ATOM 1102 OG SER A 72 -13.641 -0.291 -1.724 1.00 0.00 O ATOM 0 H SER A 72 -11.859 -3.690 -2.088 1.00 0.00 H new ATOM 0 HA SER A 72 -11.050 -1.198 -1.261 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.612 -1.446 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.761 -2.315 -2.084 1.00 0.00 H new ATOM 0 HG SER A 72 -12.977 0.430 -1.741 1.00 0.00 H new ATOM 1108 N PHE A 73 -12.179 -0.496 0.841 1.00 0.00 N ATOM 1109 CA PHE A 73 -12.544 -0.116 2.199 1.00 0.00 C ATOM 1110 C PHE A 73 -14.046 -0.362 2.433 1.00 0.00 C ATOM 1111 O PHE A 73 -14.487 -0.623 3.567 1.00 0.00 O ATOM 1112 CB PHE A 73 -12.224 1.376 2.417 1.00 0.00 C ATOM 1113 CG PHE A 73 -10.914 1.798 1.796 1.00 0.00 C ATOM 1114 CD1 PHE A 73 -9.701 1.522 2.405 1.00 0.00 C ATOM 1115 CD2 PHE A 73 -10.906 2.442 0.565 1.00 0.00 C ATOM 1116 CE1 PHE A 73 -8.520 1.875 1.796 1.00 0.00 C ATOM 1117 CE2 PHE A 73 -9.725 2.792 -0.043 1.00 0.00 C ATOM 1118 CZ PHE A 73 -8.533 2.508 0.567 1.00 0.00 C ATOM 0 H PHE A 73 -11.763 0.266 0.305 1.00 0.00 H new ATOM 0 HA PHE A 73 -11.973 -0.720 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.029 1.979 1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.195 1.583 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.683 1.026 3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.843 2.671 0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.579 1.657 2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.737 3.291 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.603 2.778 0.089 1.00 0.00 H new ATOM 1516 N GLY B 115 -9.792 -2.348 8.838 1.00 0.00 N ATOM 1517 CA GLY B 115 -8.487 -2.772 8.338 1.00 0.00 C ATOM 1518 C GLY B 115 -7.908 -1.848 7.275 1.00 0.00 C ATOM 1519 O GLY B 115 -6.960 -1.119 7.548 1.00 0.00 O ATOM 0 HA2 GLY B 115 -7.790 -2.832 9.174 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -8.575 -3.777 7.924 1.00 0.00 H new ATOM 1523 N PRO B 116 -8.459 -1.843 6.072 1.00 0.00 N ATOM 1524 CA PRO B 116 -7.976 -0.984 4.994 1.00 0.00 C ATOM 1525 C PRO B 116 -8.211 0.543 5.283 1.00 0.00 C ATOM 1526 O PRO B 116 -7.383 1.386 4.913 1.00 0.00 O ATOM 1527 CB PRO B 116 -8.761 -1.500 3.768 1.00 0.00 C ATOM 1528 CG PRO B 116 -9.995 -2.070 4.351 1.00 0.00 C ATOM 1529 CD PRO B 116 -9.568 -2.705 5.635 1.00 0.00 C ATOM 0 HA PRO B 116 -6.896 -1.038 4.854 1.00 0.00 H new ATOM 0 HB2 PRO B 116 -8.985 -0.694 3.069 1.00 0.00 H new ATOM 0 HB3 PRO B 116 -8.195 -2.252 3.218 1.00 0.00 H new ATOM 0 HG2 PRO B 116 -10.742 -1.296 4.525 1.00 0.00 H new ATOM 0 HG3 PRO B 116 -10.445 -2.802 3.681 1.00 0.00 H new ATOM 0 HD2 PRO B 116 -10.377 -2.725 6.365 1.00 0.00 H new ATOM 0 HD3 PRO B 116 -9.246 -3.736 5.489 1.00 0.00 H new ATOM 1537 N GLN B 117 -9.300 0.887 5.999 1.00 0.00 N ATOM 1538 CA GLN B 117 -9.597 2.303 6.314 1.00 0.00 C ATOM 1539 C GLN B 117 -8.542 2.887 7.258 1.00 0.00 C ATOM 1540 O GLN B 117 -7.939 3.932 6.981 1.00 0.00 O ATOM 1541 CB GLN B 117 -11.003 2.464 6.908 1.00 0.00 C ATOM 1542 CG GLN B 117 -11.336 3.892 7.315 1.00 0.00 C ATOM 1543 CD GLN B 117 -12.733 4.037 7.861 1.00 0.00 C ATOM 1544 OE1 GLN B 117 -13.286 3.119 8.468 1.00 0.00 O ATOM 1545 NE2 GLN B 117 -13.319 5.186 7.665 1.00 0.00 N ATOM 0 H GLN B 117 -9.979 0.219 6.365 1.00 0.00 H new ATOM 0 HA GLN B 117 -9.565 2.860 5.377 1.00 0.00 H new ATOM 0 HB2 GLN B 117 -11.737 2.123 6.178 1.00 0.00 H new ATOM 0 HB3 GLN B 117 -11.096 1.816 7.780 1.00 0.00 H new ATOM 0 HG2 GLN B 117 -10.621 4.226 8.067 1.00 0.00 H new ATOM 0 HG3 GLN B 117 -11.219 4.547 6.452 1.00 0.00 H new ATOM 0 HE21 GLN B 117 -12.834 5.926 7.158 1.00 0.00 H new ATOM 0 HE22 GLN B 117 -14.263 5.344 8.019 1.00 0.00 H new ATOM 1554 N ASP B 118 -8.311 2.189 8.351 1.00 0.00 N ATOM 1555 CA ASP B 118 -7.281 2.539 9.338 1.00 0.00 C ATOM 1556 C ASP B 118 -5.910 2.490 8.695 1.00 0.00 C ATOM 1557 O ASP B 118 -4.970 3.172 9.122 1.00 0.00 O ATOM 1558 CB ASP B 118 -7.353 1.613 10.576 1.00 0.00 C ATOM 1559 CG ASP B 118 -6.221 1.806 11.567 1.00 0.00 C ATOM 1560 OD1 ASP B 118 -6.129 2.883 12.191 1.00 0.00 O ATOM 1561 OD2 ASP B 118 -5.383 0.878 11.715 1.00 0.00 O ATOM 0 H ASP B 118 -8.835 1.348 8.593 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.465 3.556 9.685 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -8.301 1.783 11.087 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -7.353 0.576 10.240 1.00 0.00 H new ATOM 1566 N PHE B 119 -5.780 1.654 7.669 1.00 0.00 N ATOM 1567 CA PHE B 119 -4.522 1.501 6.969 1.00 0.00 C ATOM 1568 C PHE B 119 -4.164 2.810 6.272 1.00 0.00 C ATOM 1569 O PHE B 119 -3.006 3.175 6.204 1.00 0.00 O ATOM 1570 CB PHE B 119 -4.617 0.357 5.969 1.00 0.00 C ATOM 1571 CG PHE B 119 -3.308 -0.145 5.478 1.00 0.00 C ATOM 1572 CD1 PHE B 119 -2.455 -0.808 6.345 1.00 0.00 C ATOM 1573 CD2 PHE B 119 -2.938 0.004 4.158 1.00 0.00 C ATOM 1574 CE1 PHE B 119 -1.255 -1.309 5.903 1.00 0.00 C ATOM 1575 CE2 PHE B 119 -1.732 -0.493 3.712 1.00 0.00 C ATOM 1576 CZ PHE B 119 -0.893 -1.152 4.588 1.00 0.00 C ATOM 0 H PHE B 119 -6.537 1.073 7.308 1.00 0.00 H new ATOM 0 HA PHE B 119 -3.734 1.261 7.682 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -5.158 -0.469 6.432 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -5.209 0.687 5.115 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -2.737 -0.932 7.380 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -3.597 0.513 3.470 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -0.598 -1.825 6.588 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -1.444 -0.367 2.679 1.00 0.00 H new ATOM 0 HZ PHE B 119 0.050 -1.545 4.238 1.00 0.00 H new ATOM 1586 N LEU B 120 -5.177 3.507 5.786 1.00 0.00 N ATOM 1587 CA LEU B 120 -4.997 4.810 5.158 1.00 0.00 C ATOM 1588 C LEU B 120 -4.649 5.853 6.179 1.00 0.00 C ATOM 1589 O LEU B 120 -3.649 6.497 6.070 1.00 0.00 O ATOM 1590 CB LEU B 120 -6.267 5.273 4.465 1.00 0.00 C ATOM 1591 CG LEU B 120 -6.812 4.417 3.358 1.00 0.00 C ATOM 1592 CD1 LEU B 120 -8.086 5.042 2.830 1.00 0.00 C ATOM 1593 CD2 LEU B 120 -5.790 4.259 2.249 1.00 0.00 C ATOM 0 H LEU B 120 -6.146 3.189 5.814 1.00 0.00 H new ATOM 0 HA LEU B 120 -4.192 4.693 4.433 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -7.044 5.375 5.223 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -6.084 6.268 4.060 1.00 0.00 H new ATOM 0 HG LEU B 120 -7.033 3.423 3.746 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -8.487 4.426 2.026 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -8.818 5.111 3.635 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -7.871 6.040 2.449 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -6.206 3.635 1.457 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -5.538 5.239 1.844 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -4.891 3.789 2.647 1.00 0.00 H new ATOM 1605 N LEU B 121 -5.485 5.983 7.188 1.00 0.00 N ATOM 1606 CA LEU B 121 -5.358 7.044 8.204 1.00 0.00 C ATOM 1607 C LEU B 121 -4.010 7.023 8.935 1.00 0.00 C ATOM 1608 O LEU B 121 -3.571 8.045 9.460 1.00 0.00 O ATOM 1609 CB LEU B 121 -6.501 6.938 9.203 1.00 0.00 C ATOM 1610 CG LEU B 121 -7.900 7.087 8.626 1.00 0.00 C ATOM 1611 CD1 LEU B 121 -8.933 6.691 9.655 1.00 0.00 C ATOM 1612 CD2 LEU B 121 -8.127 8.522 8.194 1.00 0.00 C ATOM 0 H LEU B 121 -6.279 5.361 7.340 1.00 0.00 H new ATOM 0 HA LEU B 121 -5.408 7.997 7.677 1.00 0.00 H new ATOM 0 HB2 LEU B 121 -6.435 5.971 9.701 1.00 0.00 H new ATOM 0 HB3 LEU B 121 -6.361 7.701 9.969 1.00 0.00 H new ATOM 0 HG LEU B 121 -7.997 6.432 7.760 1.00 0.00 H new ATOM 0 HD11 LEU B 121 -9.931 6.802 9.230 1.00 0.00 H new ATOM 0 HD12 LEU B 121 -8.776 5.653 9.947 1.00 0.00 H new ATOM 0 HD13 LEU B 121 -8.838 7.332 10.531 1.00 0.00 H new ATOM 0 HD21 LEU B 121 -9.131 8.623 7.781 1.00 0.00 H new ATOM 0 HD22 LEU B 121 -8.020 9.182 9.055 1.00 0.00 H new ATOM 0 HD23 LEU B 121 -7.394 8.794 7.435 1.00 0.00 H new ATOM 1624 N LYS B 122 -3.337 5.886 8.935 1.00 0.00 N ATOM 1625 CA LYS B 122 -2.053 5.788 9.601 1.00 0.00 C ATOM 1626 C LYS B 122 -0.912 6.188 8.681 1.00 0.00 C ATOM 1627 O LYS B 122 0.249 6.180 9.092 1.00 0.00 O ATOM 1628 CB LYS B 122 -1.788 4.395 10.115 1.00 0.00 C ATOM 1629 CG LYS B 122 -1.650 3.360 9.033 1.00 0.00 C ATOM 1630 CD LYS B 122 -1.044 2.102 9.573 1.00 0.00 C ATOM 1631 CE LYS B 122 -1.898 1.474 10.668 1.00 0.00 C ATOM 1632 NZ LYS B 122 -3.264 1.173 10.220 1.00 0.00 N ATOM 0 H LYS B 122 -3.655 5.027 8.486 1.00 0.00 H new ATOM 0 HA LYS B 122 -2.101 6.478 10.444 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -0.876 4.406 10.711 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -2.600 4.104 10.781 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -2.629 3.143 8.605 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -1.029 3.751 8.227 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -0.914 1.386 8.761 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -0.052 2.320 9.969 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -1.422 0.556 11.012 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -1.941 2.150 11.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -3.815 0.795 11.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -3.714 2.043 9.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.231 0.468 9.456 1.00 0.00 H new ATOM 1646 N MET B 123 -1.222 6.560 7.459 1.00 0.00 N ATOM 1647 CA MET B 123 -0.197 6.903 6.513 1.00 0.00 C ATOM 1648 C MET B 123 0.187 8.378 6.734 1.00 0.00 C ATOM 1649 O MET B 123 -0.559 9.112 7.399 1.00 0.00 O ATOM 1650 CB MET B 123 -0.691 6.685 5.062 1.00 0.00 C ATOM 1651 CG MET B 123 -1.159 5.259 4.742 1.00 0.00 C ATOM 1652 SD MET B 123 -1.585 5.054 2.995 1.00 0.00 S ATOM 1653 CE MET B 123 -2.078 3.337 2.924 1.00 0.00 C ATOM 0 H MET B 123 -2.175 6.631 7.102 1.00 0.00 H new ATOM 0 HA MET B 123 0.672 6.262 6.663 1.00 0.00 H new ATOM 0 HB2 MET B 123 -1.514 7.373 4.867 1.00 0.00 H new ATOM 0 HB3 MET B 123 0.114 6.949 4.377 1.00 0.00 H new ATOM 0 HG2 MET B 123 -0.373 4.552 5.008 1.00 0.00 H new ATOM 0 HG3 MET B 123 -2.026 5.017 5.356 1.00 0.00 H new ATOM 0 HE1 MET B 123 -2.714 3.177 2.054 1.00 0.00 H new ATOM 0 HE2 MET B 123 -1.192 2.707 2.847 1.00 0.00 H new ATOM 0 HE3 MET B 123 -2.629 3.079 3.828 1.00 0.00 H new ATOM 1663 N PRO B 124 1.358 8.827 6.281 1.00 0.00 N ATOM 1664 CA PRO B 124 1.712 10.235 6.358 1.00 0.00 C ATOM 1665 C PRO B 124 1.050 11.018 5.228 1.00 0.00 C ATOM 1666 O PRO B 124 1.206 10.677 4.067 1.00 0.00 O ATOM 1667 CB PRO B 124 3.234 10.253 6.185 1.00 0.00 C ATOM 1668 CG PRO B 124 3.577 8.982 5.479 1.00 0.00 C ATOM 1669 CD PRO B 124 2.442 8.008 5.708 1.00 0.00 C ATOM 0 HA PRO B 124 1.386 10.692 7.292 1.00 0.00 H new ATOM 0 HB2 PRO B 124 3.552 11.120 5.606 1.00 0.00 H new ATOM 0 HB3 PRO B 124 3.737 10.312 7.150 1.00 0.00 H new ATOM 0 HG2 PRO B 124 3.717 9.162 4.413 1.00 0.00 H new ATOM 0 HG3 PRO B 124 4.514 8.574 5.859 1.00 0.00 H new ATOM 0 HD2 PRO B 124 2.131 7.535 4.776 1.00 0.00 H new ATOM 0 HD3 PRO B 124 2.737 7.209 6.388 1.00 0.00 H new ATOM 1677 N GLY B 125 0.295 12.033 5.565 1.00 0.00 N ATOM 1678 CA GLY B 125 -0.312 12.828 4.546 1.00 0.00 C ATOM 1679 C GLY B 125 -1.764 12.489 4.350 1.00 0.00 C ATOM 1680 O GLY B 125 -2.280 12.557 3.242 1.00 0.00 O ATOM 0 H GLY B 125 0.092 12.320 6.523 1.00 0.00 H new ATOM 0 HA2 GLY B 125 -0.219 13.882 4.806 1.00 0.00 H new ATOM 0 HA3 GLY B 125 0.223 12.683 3.607 1.00 0.00 H new ATOM 1684 N VAL B 126 -2.427 12.116 5.405 1.00 0.00 N ATOM 1685 CA VAL B 126 -3.814 11.763 5.305 1.00 0.00 C ATOM 1686 C VAL B 126 -4.605 12.207 6.563 1.00 0.00 C ATOM 1687 O VAL B 126 -4.058 12.283 7.665 1.00 0.00 O ATOM 1688 CB VAL B 126 -3.953 10.236 5.045 1.00 0.00 C ATOM 1689 CG1 VAL B 126 -3.336 9.458 6.149 1.00 0.00 C ATOM 1690 CG2 VAL B 126 -5.388 9.806 4.776 1.00 0.00 C ATOM 0 H VAL B 126 -2.032 12.048 6.343 1.00 0.00 H new ATOM 0 HA VAL B 126 -4.249 12.296 4.459 1.00 0.00 H new ATOM 0 HB VAL B 126 -3.406 10.017 4.128 1.00 0.00 H new ATOM 0 HG11 VAL B 126 -3.444 8.392 5.948 1.00 0.00 H new ATOM 0 HG12 VAL B 126 -2.278 9.708 6.223 1.00 0.00 H new ATOM 0 HG13 VAL B 126 -3.833 9.702 7.088 1.00 0.00 H new ATOM 0 HG21 VAL B 126 -5.419 8.730 4.602 1.00 0.00 H new ATOM 0 HG22 VAL B 126 -6.009 10.053 5.637 1.00 0.00 H new ATOM 0 HG23 VAL B 126 -5.765 10.327 3.896 1.00 0.00 H new ATOM 1700 N ASN B 127 -5.876 12.522 6.367 1.00 0.00 N ATOM 1701 CA ASN B 127 -6.799 12.924 7.428 1.00 0.00 C ATOM 1702 C ASN B 127 -8.085 12.279 7.085 1.00 0.00 C ATOM 1703 O ASN B 127 -8.270 11.914 5.928 1.00 0.00 O ATOM 1704 CB ASN B 127 -7.050 14.445 7.493 1.00 0.00 C ATOM 1705 CG ASN B 127 -5.823 15.292 7.696 1.00 0.00 C ATOM 1706 OD1 ASN B 127 -5.300 15.803 6.625 1.00 0.00 O flip ATOM 1707 ND2 ASN B 127 -5.393 15.534 8.821 1.00 0.00 N flip ATOM 0 H ASN B 127 -6.309 12.506 5.444 1.00 0.00 H new ATOM 0 HA ASN B 127 -6.377 12.635 8.391 1.00 0.00 H new ATOM 0 HB2 ASN B 127 -7.537 14.756 6.569 1.00 0.00 H new ATOM 0 HB3 ASN B 127 -7.749 14.647 8.305 1.00 0.00 H new ATOM 0 HD21 ASN B 127 -5.834 15.111 9.638 1.00 0.00 H new ATOM 0 HD22 ASN B 127 -4.595 16.158 8.939 1.00 0.00 H new ATOM 1714 N ALA B 128 -8.991 12.183 8.023 1.00 0.00 N ATOM 1715 CA ALA B 128 -10.264 11.504 7.804 1.00 0.00 C ATOM 1716 C ALA B 128 -11.073 12.136 6.690 1.00 0.00 C ATOM 1717 O ALA B 128 -11.753 11.433 5.941 1.00 0.00 O ATOM 1718 CB ALA B 128 -11.078 11.432 9.077 1.00 0.00 C ATOM 0 H ALA B 128 -8.878 12.568 8.961 1.00 0.00 H new ATOM 0 HA ALA B 128 -10.021 10.488 7.492 1.00 0.00 H new ATOM 0 HB1 ALA B 128 -12.020 10.920 8.878 1.00 0.00 H new ATOM 0 HB2 ALA B 128 -10.520 10.883 9.835 1.00 0.00 H new ATOM 0 HB3 ALA B 128 -11.282 12.441 9.436 1.00 0.00 H new ATOM 1724 N LYS B 129 -10.940 13.439 6.526 1.00 0.00 N ATOM 1725 CA LYS B 129 -11.717 14.143 5.521 1.00 0.00 C ATOM 1726 C LYS B 129 -11.232 13.783 4.127 1.00 0.00 C ATOM 1727 O LYS B 129 -12.008 13.505 3.215 1.00 0.00 O ATOM 1728 CB LYS B 129 -11.696 15.667 5.737 1.00 0.00 C ATOM 1729 CG LYS B 129 -10.312 16.327 5.707 1.00 0.00 C ATOM 1730 CD LYS B 129 -10.447 17.832 5.577 1.00 0.00 C ATOM 1731 CE LYS B 129 -9.113 18.542 5.707 1.00 0.00 C ATOM 1732 NZ LYS B 129 -8.636 18.579 7.101 1.00 0.00 N ATOM 0 H LYS B 129 -10.308 14.027 7.069 1.00 0.00 H new ATOM 0 HA LYS B 129 -12.754 13.822 5.623 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -12.316 16.132 4.971 1.00 0.00 H new ATOM 0 HB3 LYS B 129 -12.161 15.885 6.699 1.00 0.00 H new ATOM 0 HG2 LYS B 129 -9.765 16.082 6.618 1.00 0.00 H new ATOM 0 HG3 LYS B 129 -9.733 15.934 4.872 1.00 0.00 H new ATOM 0 HD2 LYS B 129 -10.892 18.073 4.611 1.00 0.00 H new ATOM 0 HD3 LYS B 129 -11.129 18.201 6.343 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -8.373 18.038 5.085 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -9.207 19.560 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -7.739 19.103 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -9.344 19.052 7.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -8.488 17.608 7.443 1.00 0.00 H new ATOM 1746 N ASN B 130 -9.956 13.711 3.981 1.00 0.00 N ATOM 1747 CA ASN B 130 -9.407 13.406 2.708 1.00 0.00 C ATOM 1748 C ASN B 130 -9.288 11.918 2.501 1.00 0.00 C ATOM 1749 O ASN B 130 -9.098 11.451 1.399 1.00 0.00 O ATOM 1750 CB ASN B 130 -8.138 14.219 2.408 1.00 0.00 C ATOM 1751 CG ASN B 130 -7.059 14.217 3.485 1.00 0.00 C ATOM 1752 OD1 ASN B 130 -6.058 13.392 3.349 1.00 0.00 O flip ATOM 1753 ND2 ASN B 130 -7.112 15.011 4.420 1.00 0.00 N flip ATOM 0 H ASN B 130 -9.274 13.859 4.725 1.00 0.00 H new ATOM 0 HA ASN B 130 -10.110 13.736 1.943 1.00 0.00 H new ATOM 0 HB2 ASN B 130 -7.700 13.839 1.485 1.00 0.00 H new ATOM 0 HB3 ASN B 130 -8.431 15.252 2.220 1.00 0.00 H new ATOM 0 HD21 ASN B 130 -7.905 15.646 4.505 1.00 0.00 H new ATOM 0 HD22 ASN B 130 -6.363 15.035 5.112 1.00 0.00 H new ATOM 1760 N CYS B 131 -9.448 11.185 3.581 1.00 0.00 N ATOM 1761 CA CYS B 131 -9.511 9.746 3.559 1.00 0.00 C ATOM 1762 C CYS B 131 -10.842 9.300 3.009 1.00 0.00 C ATOM 1763 O CYS B 131 -10.905 8.343 2.279 1.00 0.00 O ATOM 1764 CB CYS B 131 -9.319 9.162 4.949 1.00 0.00 C ATOM 1765 SG CYS B 131 -9.414 7.366 5.043 1.00 0.00 S ATOM 0 H CYS B 131 -9.539 11.583 4.516 1.00 0.00 H new ATOM 0 HA CYS B 131 -8.705 9.385 2.920 1.00 0.00 H new ATOM 0 HB2 CYS B 131 -8.348 9.479 5.328 1.00 0.00 H new ATOM 0 HB3 CYS B 131 -10.074 9.585 5.612 1.00 0.00 H new ATOM 0 HG CYS B 131 -10.008 6.907 3.982 1.00 0.00 H new ATOM 1771 N ARG B 132 -11.917 9.995 3.388 1.00 0.00 N ATOM 1772 CA ARG B 132 -13.252 9.651 2.909 1.00 0.00 C ATOM 1773 C ARG B 132 -13.337 9.937 1.416 1.00 0.00 C ATOM 1774 O ARG B 132 -13.848 9.125 0.628 1.00 0.00 O ATOM 1775 CB ARG B 132 -14.344 10.408 3.707 1.00 0.00 C ATOM 1776 CG ARG B 132 -14.406 11.905 3.498 1.00 0.00 C ATOM 1777 CD ARG B 132 -15.440 12.266 2.441 1.00 0.00 C ATOM 1778 NE ARG B 132 -15.372 13.666 2.020 1.00 0.00 N ATOM 1779 CZ ARG B 132 -16.364 14.316 1.394 1.00 0.00 C ATOM 1780 NH1 ARG B 132 -17.561 13.741 1.252 1.00 0.00 N ATOM 1781 NH2 ARG B 132 -16.165 15.547 0.926 1.00 0.00 N ATOM 0 H ARG B 132 -11.887 10.794 4.021 1.00 0.00 H new ATOM 0 HA ARG B 132 -13.432 8.588 3.069 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -15.314 9.985 3.446 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -14.188 10.216 4.769 1.00 0.00 H new ATOM 0 HG2 ARG B 132 -14.655 12.397 4.438 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -13.426 12.274 3.195 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -15.299 11.625 1.571 1.00 0.00 H new ATOM 0 HD3 ARG B 132 -16.436 12.059 2.832 1.00 0.00 H new ATOM 0 HE ARG B 132 -14.514 14.181 2.216 1.00 0.00 H new ATOM 0 HH11 ARG B 132 -17.724 12.804 1.620 1.00 0.00 H new ATOM 0 HH12 ARG B 132 -18.313 14.239 0.775 1.00 0.00 H new ATOM 0 HH21 ARG B 132 -15.257 15.997 1.043 1.00 0.00 H new ATOM 0 HH22 ARG B 132 -16.921 16.040 0.450 1.00 0.00 H new ATOM 1795 N SER B 133 -12.804 11.079 1.036 1.00 0.00 N ATOM 1796 CA SER B 133 -12.732 11.461 -0.342 1.00 0.00 C ATOM 1797 C SER B 133 -11.873 10.443 -1.110 1.00 0.00 C ATOM 1798 O SER B 133 -12.221 9.999 -2.210 1.00 0.00 O ATOM 1799 CB SER B 133 -12.136 12.853 -0.410 1.00 0.00 C ATOM 1800 OG SER B 133 -12.892 13.751 0.393 1.00 0.00 O ATOM 0 H SER B 133 -12.410 11.764 1.682 1.00 0.00 H new ATOM 0 HA SER B 133 -13.721 11.473 -0.801 1.00 0.00 H new ATOM 0 HB2 SER B 133 -11.101 12.831 -0.068 1.00 0.00 H new ATOM 0 HB3 SER B 133 -12.123 13.201 -1.443 1.00 0.00 H new ATOM 0 HG SER B 133 -12.574 13.709 1.319 1.00 0.00 H new ATOM 1806 N LEU B 134 -10.796 10.010 -0.476 1.00 0.00 N ATOM 1807 CA LEU B 134 -9.881 9.043 -1.066 1.00 0.00 C ATOM 1808 C LEU B 134 -10.601 7.730 -1.245 1.00 0.00 C ATOM 1809 O LEU B 134 -10.484 7.088 -2.238 1.00 0.00 O ATOM 1810 CB LEU B 134 -8.713 8.783 -0.146 1.00 0.00 C ATOM 1811 CG LEU B 134 -7.533 8.084 -0.793 1.00 0.00 C ATOM 1812 CD1 LEU B 134 -6.687 9.046 -1.604 1.00 0.00 C ATOM 1813 CD2 LEU B 134 -6.724 7.337 0.225 1.00 0.00 C ATOM 0 H LEU B 134 -10.530 10.317 0.460 1.00 0.00 H new ATOM 0 HA LEU B 134 -9.529 9.445 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU B 134 -8.373 9.734 0.263 1.00 0.00 H new ATOM 0 HB3 LEU B 134 -9.058 8.180 0.694 1.00 0.00 H new ATOM 0 HG LEU B 134 -7.926 7.349 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU B 134 -5.852 8.508 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -7.296 9.491 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU B 134 -6.305 9.832 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -5.885 6.845 -0.267 1.00 0.00 H new ATOM 0 HD22 LEU B 134 -6.348 8.034 0.974 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -7.350 6.588 0.709 1.00 0.00 H new ATOM 1825 N MET B 135 -11.382 7.406 -0.265 1.00 0.00 N ATOM 1826 CA MET B 135 -12.148 6.184 -0.168 1.00 0.00 C ATOM 1827 C MET B 135 -13.131 6.072 -1.317 1.00 0.00 C ATOM 1828 O MET B 135 -13.525 4.987 -1.712 1.00 0.00 O ATOM 1829 CB MET B 135 -12.843 6.188 1.177 1.00 0.00 C ATOM 1830 CG MET B 135 -13.406 4.881 1.645 1.00 0.00 C ATOM 1831 SD MET B 135 -13.892 4.982 3.386 1.00 0.00 S ATOM 1832 CE MET B 135 -12.307 5.415 4.153 1.00 0.00 C ATOM 0 H MET B 135 -11.517 8.016 0.541 1.00 0.00 H new ATOM 0 HA MET B 135 -11.498 5.312 -0.240 1.00 0.00 H new ATOM 0 HB2 MET B 135 -12.134 6.541 1.926 1.00 0.00 H new ATOM 0 HB3 MET B 135 -13.655 6.914 1.139 1.00 0.00 H new ATOM 0 HG2 MET B 135 -14.269 4.612 1.036 1.00 0.00 H new ATOM 0 HG3 MET B 135 -12.665 4.092 1.514 1.00 0.00 H new ATOM 0 HE1 MET B 135 -12.326 5.139 5.207 1.00 0.00 H new ATOM 0 HE2 MET B 135 -11.502 4.878 3.652 1.00 0.00 H new ATOM 0 HE3 MET B 135 -12.140 6.488 4.062 1.00 0.00 H new ATOM 1842 N HIS B 136 -13.561 7.209 -1.812 1.00 0.00 N ATOM 1843 CA HIS B 136 -14.443 7.233 -2.958 1.00 0.00 C ATOM 1844 C HIS B 136 -13.693 7.393 -4.285 1.00 0.00 C ATOM 1845 O HIS B 136 -14.265 7.165 -5.342 1.00 0.00 O ATOM 1846 CB HIS B 136 -15.535 8.288 -2.810 1.00 0.00 C ATOM 1847 CG HIS B 136 -16.585 7.927 -1.800 1.00 0.00 C ATOM 1848 ND1 HIS B 136 -17.921 7.866 -2.094 1.00 0.00 N ATOM 1849 CD2 HIS B 136 -16.482 7.615 -0.488 1.00 0.00 C ATOM 1850 CE1 HIS B 136 -18.597 7.542 -1.019 1.00 0.00 C ATOM 1851 NE2 HIS B 136 -17.752 7.381 -0.027 1.00 0.00 N ATOM 0 H HIS B 136 -13.316 8.127 -1.442 1.00 0.00 H new ATOM 0 HA HIS B 136 -14.924 6.255 -2.988 1.00 0.00 H new ATOM 0 HB2 HIS B 136 -15.077 9.235 -2.524 1.00 0.00 H new ATOM 0 HB3 HIS B 136 -16.012 8.444 -3.778 1.00 0.00 H new ATOM 0 HD2 HIS B 136 -15.570 7.560 0.088 1.00 0.00 H new ATOM 0 HE1 HIS B 136 -19.669 7.427 -0.959 1.00 0.00 H new ATOM 0 HE2 HIS B 136 -17.999 7.124 0.929 1.00 0.00 H new ATOM 1860 N HIS B 137 -12.423 7.779 -4.245 1.00 0.00 N ATOM 1861 CA HIS B 137 -11.638 7.926 -5.500 1.00 0.00 C ATOM 1862 C HIS B 137 -10.688 6.757 -5.708 1.00 0.00 C ATOM 1863 O HIS B 137 -10.172 6.539 -6.802 1.00 0.00 O ATOM 1864 CB HIS B 137 -10.825 9.226 -5.520 1.00 0.00 C ATOM 1865 CG HIS B 137 -11.611 10.478 -5.743 1.00 0.00 C ATOM 1866 ND1 HIS B 137 -12.508 11.106 -4.969 1.00 0.00 N flip ATOM 1867 CD2 HIS B 137 -11.479 11.256 -6.864 1.00 0.00 C flip ATOM 1868 CE1 HIS B 137 -12.900 12.231 -5.626 1.00 0.00 C flip ATOM 1869 NE2 HIS B 137 -12.261 12.300 -6.768 1.00 0.00 N flip ATOM 0 H HIS B 137 -11.911 7.995 -3.390 1.00 0.00 H new ATOM 0 HA HIS B 137 -12.369 7.949 -6.308 1.00 0.00 H new ATOM 0 HB2 HIS B 137 -10.294 9.316 -4.572 1.00 0.00 H new ATOM 0 HB3 HIS B 137 -10.070 9.149 -6.302 1.00 0.00 H new ATOM 0 HD1 HIS B 137 -12.837 10.797 -4.054 1.00 0.00 H new ATOM 0 HD2 HIS B 137 -10.829 11.040 -7.699 1.00 0.00 H new ATOM 0 HE1 HIS B 137 -13.620 12.950 -5.265 1.00 0.00 H new ATOM 1878 N VAL B 138 -10.461 6.032 -4.666 1.00 0.00 N ATOM 1879 CA VAL B 138 -9.529 4.940 -4.647 1.00 0.00 C ATOM 1880 C VAL B 138 -10.237 3.703 -4.149 1.00 0.00 C ATOM 1881 O VAL B 138 -10.957 3.767 -3.154 1.00 0.00 O ATOM 1882 CB VAL B 138 -8.346 5.256 -3.679 1.00 0.00 C ATOM 1883 CG1 VAL B 138 -7.399 4.098 -3.551 1.00 0.00 C ATOM 1884 CG2 VAL B 138 -7.590 6.493 -4.118 1.00 0.00 C ATOM 0 H VAL B 138 -10.930 6.182 -3.773 1.00 0.00 H new ATOM 0 HA VAL B 138 -9.142 4.786 -5.654 1.00 0.00 H new ATOM 0 HB VAL B 138 -8.788 5.442 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL B 138 -6.592 4.362 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL B 138 -7.934 3.232 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL B 138 -6.983 3.858 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL B 138 -6.773 6.686 -3.423 1.00 0.00 H new ATOM 0 HG22 VAL B 138 -7.186 6.337 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL B 138 -8.266 7.348 -4.129 1.00 0.00 H new ATOM 1894 N LYS B 139 -10.043 2.597 -4.842 1.00 0.00 N ATOM 1895 CA LYS B 139 -10.614 1.320 -4.448 1.00 0.00 C ATOM 1896 C LYS B 139 -10.006 0.871 -3.129 1.00 0.00 C ATOM 1897 O LYS B 139 -10.697 0.721 -2.133 1.00 0.00 O ATOM 1898 CB LYS B 139 -10.348 0.275 -5.528 1.00 0.00 C ATOM 1899 CG LYS B 139 -10.830 -1.111 -5.177 1.00 0.00 C ATOM 1900 CD LYS B 139 -10.492 -2.116 -6.262 1.00 0.00 C ATOM 1901 CE LYS B 139 -10.857 -3.512 -5.818 1.00 0.00 C ATOM 1902 NZ LYS B 139 -12.310 -3.682 -5.622 1.00 0.00 N ATOM 0 H LYS B 139 -9.485 2.557 -5.695 1.00 0.00 H new ATOM 0 HA LYS B 139 -11.691 1.433 -4.324 1.00 0.00 H new ATOM 0 HB2 LYS B 139 -10.831 0.593 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS B 139 -9.277 0.236 -5.725 1.00 0.00 H new ATOM 0 HG2 LYS B 139 -10.378 -1.426 -4.236 1.00 0.00 H new ATOM 0 HG3 LYS B 139 -11.909 -1.092 -5.022 1.00 0.00 H new ATOM 0 HD2 LYS B 139 -11.029 -1.867 -7.177 1.00 0.00 H new ATOM 0 HD3 LYS B 139 -9.428 -2.067 -6.493 1.00 0.00 H new ATOM 0 HE2 LYS B 139 -10.508 -4.229 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS B 139 -10.339 -3.740 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 139 -12.522 -4.686 -5.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 139 -12.618 -3.118 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 139 -12.815 -3.362 -6.473 1.00 0.00 H new ATOM 1916 N ASN B 140 -8.722 0.640 -3.159 1.00 0.00 N ATOM 1917 CA ASN B 140 -7.947 0.282 -2.021 1.00 0.00 C ATOM 1918 C ASN B 140 -6.494 0.558 -2.392 1.00 0.00 C ATOM 1919 O ASN B 140 -6.252 1.115 -3.475 1.00 0.00 O ATOM 1920 CB ASN B 140 -8.162 -1.207 -1.690 1.00 0.00 C ATOM 1921 CG ASN B 140 -7.500 -1.640 -0.391 1.00 0.00 C ATOM 1922 OD1 ASN B 140 -7.315 -0.852 0.525 1.00 0.00 O ATOM 1923 ND2 ASN B 140 -7.120 -2.857 -0.330 1.00 0.00 N ATOM 0 H ASN B 140 -8.172 0.701 -4.016 1.00 0.00 H new ATOM 0 HA ASN B 140 -8.234 0.852 -1.137 1.00 0.00 H new ATOM 0 HB2 ASN B 140 -9.232 -1.407 -1.628 1.00 0.00 H new ATOM 0 HB3 ASN B 140 -7.772 -1.813 -2.507 1.00 0.00 H new ATOM 0 HD21 ASN B 140 -6.644 -3.201 0.504 1.00 0.00 H new ATOM 0 HD22 ASN B 140 -7.292 -3.485 -1.115 1.00 0.00 H new ATOM 1930 N ILE B 141 -5.574 0.160 -1.520 1.00 0.00 N ATOM 1931 CA ILE B 141 -4.101 0.256 -1.632 1.00 0.00 C ATOM 1932 C ILE B 141 -3.589 0.302 -3.085 1.00 0.00 C ATOM 1933 O ILE B 141 -2.847 1.211 -3.447 1.00 0.00 O ATOM 1934 CB ILE B 141 -3.488 -0.991 -0.962 1.00 0.00 C ATOM 1935 CG1 ILE B 141 -3.892 -1.083 0.516 1.00 0.00 C ATOM 1936 CG2 ILE B 141 -1.955 -1.019 -1.111 1.00 0.00 C ATOM 1937 CD1 ILE B 141 -3.414 -2.345 1.202 1.00 0.00 C ATOM 0 H ILE B 141 -5.850 -0.276 -0.640 1.00 0.00 H new ATOM 0 HA ILE B 141 -3.807 1.190 -1.153 1.00 0.00 H new ATOM 0 HB ILE B 141 -3.888 -1.864 -1.478 1.00 0.00 H new ATOM 0 HG12 ILE B 141 -3.493 -0.219 1.047 1.00 0.00 H new ATOM 0 HG13 ILE B 141 -4.978 -1.029 0.590 1.00 0.00 H new ATOM 0 HG21 ILE B 141 -1.559 -1.912 -0.627 1.00 0.00 H new ATOM 0 HG22 ILE B 141 -1.692 -1.033 -2.169 1.00 0.00 H new ATOM 0 HG23 ILE B 141 -1.528 -0.132 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE B 141 -3.738 -2.338 2.243 1.00 0.00 H new ATOM 0 HD12 ILE B 141 -3.834 -3.215 0.697 1.00 0.00 H new ATOM 0 HD13 ILE B 141 -2.326 -2.392 1.161 1.00 0.00 H new ATOM 1949 N ALA B 142 -4.001 -0.680 -3.892 1.00 0.00 N ATOM 1950 CA ALA B 142 -3.576 -0.794 -5.293 1.00 0.00 C ATOM 1951 C ALA B 142 -3.776 0.484 -6.087 1.00 0.00 C ATOM 1952 O ALA B 142 -2.843 0.988 -6.684 1.00 0.00 O ATOM 1953 CB ALA B 142 -4.279 -1.947 -5.971 1.00 0.00 C ATOM 0 H ALA B 142 -4.638 -1.419 -3.594 1.00 0.00 H new ATOM 0 HA ALA B 142 -2.503 -0.984 -5.271 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -3.950 -2.014 -7.008 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -4.038 -2.875 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.356 -1.784 -5.942 1.00 0.00 H new ATOM 1959 N GLU B 143 -4.964 1.027 -6.032 1.00 0.00 N ATOM 1960 CA GLU B 143 -5.295 2.211 -6.795 1.00 0.00 C ATOM 1961 C GLU B 143 -4.638 3.420 -6.167 1.00 0.00 C ATOM 1962 O GLU B 143 -4.250 4.329 -6.854 1.00 0.00 O ATOM 1963 CB GLU B 143 -6.807 2.385 -6.864 1.00 0.00 C ATOM 1964 CG GLU B 143 -7.554 1.145 -7.329 1.00 0.00 C ATOM 1965 CD GLU B 143 -7.069 0.595 -8.644 1.00 0.00 C ATOM 1966 OE1 GLU B 143 -7.405 1.158 -9.696 1.00 0.00 O ATOM 1967 OE2 GLU B 143 -6.392 -0.440 -8.640 1.00 0.00 O ATOM 0 H GLU B 143 -5.729 0.666 -5.461 1.00 0.00 H new ATOM 0 HA GLU B 143 -4.921 2.103 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -7.175 2.669 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -7.037 3.209 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -7.462 0.371 -6.567 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -8.614 1.383 -7.415 1.00 0.00 H new ATOM 1974 N LEU B 144 -4.486 3.394 -4.851 1.00 0.00 N ATOM 1975 CA LEU B 144 -3.816 4.471 -4.121 1.00 0.00 C ATOM 1976 C LEU B 144 -2.380 4.600 -4.589 1.00 0.00 C ATOM 1977 O LEU B 144 -1.916 5.683 -4.919 1.00 0.00 O ATOM 1978 CB LEU B 144 -3.853 4.205 -2.604 1.00 0.00 C ATOM 1979 CG LEU B 144 -3.088 5.189 -1.716 1.00 0.00 C ATOM 1980 CD1 LEU B 144 -3.534 6.614 -1.975 1.00 0.00 C ATOM 1981 CD2 LEU B 144 -3.299 4.837 -0.262 1.00 0.00 C ATOM 0 H LEU B 144 -4.819 2.633 -4.259 1.00 0.00 H new ATOM 0 HA LEU B 144 -4.343 5.404 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU B 144 -4.895 4.198 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU B 144 -3.458 3.205 -2.424 1.00 0.00 H new ATOM 0 HG LEU B 144 -2.027 5.116 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU B 144 -2.975 7.293 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU B 144 -3.349 6.869 -3.019 1.00 0.00 H new ATOM 0 HD13 LEU B 144 -4.599 6.706 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU B 144 -2.752 5.541 0.366 1.00 0.00 H new ATOM 0 HD22 LEU B 144 -4.362 4.890 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU B 144 -2.935 3.826 -0.076 1.00 0.00 H new ATOM 1993 N ALA B 145 -1.712 3.479 -4.668 1.00 0.00 N ATOM 1994 CA ALA B 145 -0.346 3.444 -5.063 1.00 0.00 C ATOM 1995 C ALA B 145 -0.200 3.555 -6.572 1.00 0.00 C ATOM 1996 O ALA B 145 0.897 3.765 -7.087 1.00 0.00 O ATOM 1997 CB ALA B 145 0.313 2.194 -4.536 1.00 0.00 C ATOM 0 H ALA B 145 -2.111 2.564 -4.457 1.00 0.00 H new ATOM 0 HA ALA B 145 0.159 4.308 -4.631 1.00 0.00 H new ATOM 0 HB1 ALA B 145 1.359 2.176 -4.844 1.00 0.00 H new ATOM 0 HB2 ALA B 145 0.255 2.183 -3.448 1.00 0.00 H new ATOM 0 HB3 ALA B 145 -0.197 1.318 -4.935 1.00 0.00 H new ATOM 2003 N ALA B 146 -1.301 3.398 -7.274 1.00 0.00 N ATOM 2004 CA ALA B 146 -1.304 3.510 -8.710 1.00 0.00 C ATOM 2005 C ALA B 146 -1.504 4.950 -9.125 1.00 0.00 C ATOM 2006 O ALA B 146 -1.003 5.383 -10.173 1.00 0.00 O ATOM 2007 CB ALA B 146 -2.387 2.636 -9.318 1.00 0.00 C ATOM 0 H ALA B 146 -2.212 3.190 -6.865 1.00 0.00 H new ATOM 0 HA ALA B 146 -0.337 3.167 -9.079 1.00 0.00 H new ATOM 0 HB1 ALA B 146 -2.370 2.737 -10.403 1.00 0.00 H new ATOM 0 HB2 ALA B 146 -2.209 1.595 -9.048 1.00 0.00 H new ATOM 0 HB3 ALA B 146 -3.361 2.947 -8.940 1.00 0.00 H new ATOM 2013 N LEU B 147 -2.219 5.697 -8.309 1.00 0.00 N ATOM 2014 CA LEU B 147 -2.511 7.067 -8.618 1.00 0.00 C ATOM 2015 C LEU B 147 -1.289 7.963 -8.430 1.00 0.00 C ATOM 2016 O LEU B 147 -0.363 7.635 -7.679 1.00 0.00 O ATOM 2017 CB LEU B 147 -3.693 7.604 -7.810 1.00 0.00 C ATOM 2018 CG LEU B 147 -5.048 6.942 -8.061 1.00 0.00 C ATOM 2019 CD1 LEU B 147 -6.115 7.600 -7.217 1.00 0.00 C ATOM 2020 CD2 LEU B 147 -5.430 6.996 -9.535 1.00 0.00 C ATOM 0 H LEU B 147 -2.607 5.369 -7.424 1.00 0.00 H new ATOM 0 HA LEU B 147 -2.791 7.088 -9.671 1.00 0.00 H new ATOM 0 HB2 LEU B 147 -3.456 7.504 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU B 147 -3.791 8.670 -8.016 1.00 0.00 H new ATOM 0 HG LEU B 147 -4.966 5.893 -7.777 1.00 0.00 H new ATOM 0 HD11 LEU B 147 -7.075 7.120 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU B 147 -5.859 7.499 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU B 147 -6.182 8.657 -7.474 1.00 0.00 H new ATOM 0 HD21 LEU B 147 -6.398 6.517 -9.678 1.00 0.00 H new ATOM 0 HD22 LEU B 147 -5.489 8.035 -9.858 1.00 0.00 H new ATOM 0 HD23 LEU B 147 -4.677 6.475 -10.125 1.00 0.00 H new ATOM 2032 N SER B 148 -1.284 9.068 -9.122 1.00 0.00 N ATOM 2033 CA SER B 148 -0.202 10.026 -9.053 1.00 0.00 C ATOM 2034 C SER B 148 -0.423 11.005 -7.870 1.00 0.00 C ATOM 2035 O SER B 148 -1.532 11.084 -7.316 1.00 0.00 O ATOM 2036 CB SER B 148 -0.159 10.799 -10.379 1.00 0.00 C ATOM 2037 OG SER B 148 -0.117 9.905 -11.494 1.00 0.00 O ATOM 0 H SER B 148 -2.035 9.337 -9.757 1.00 0.00 H new ATOM 0 HA SER B 148 0.743 9.508 -8.890 1.00 0.00 H new ATOM 0 HB2 SER B 148 -1.035 11.442 -10.457 1.00 0.00 H new ATOM 0 HB3 SER B 148 0.716 11.449 -10.397 1.00 0.00 H new ATOM 0 HG SER B 148 -0.092 10.421 -12.327 1.00 0.00 H new ATOM 2043 N GLN B 149 0.618 11.773 -7.513 1.00 0.00 N ATOM 2044 CA GLN B 149 0.535 12.774 -6.438 1.00 0.00 C ATOM 2045 C GLN B 149 -0.439 13.856 -6.851 1.00 0.00 C ATOM 2046 O GLN B 149 -1.101 14.482 -6.024 1.00 0.00 O ATOM 2047 CB GLN B 149 1.905 13.401 -6.194 1.00 0.00 C ATOM 2048 CG GLN B 149 1.937 14.400 -5.058 1.00 0.00 C ATOM 2049 CD GLN B 149 3.284 15.055 -4.892 1.00 0.00 C ATOM 2050 OE1 GLN B 149 4.326 14.455 -5.166 1.00 0.00 O ATOM 2051 NE2 GLN B 149 3.287 16.292 -4.491 1.00 0.00 N ATOM 0 H GLN B 149 1.534 11.719 -7.957 1.00 0.00 H new ATOM 0 HA GLN B 149 0.198 12.290 -5.521 1.00 0.00 H new ATOM 0 HB2 GLN B 149 2.623 12.608 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN B 149 2.233 13.896 -7.108 1.00 0.00 H new ATOM 0 HG2 GLN B 149 1.184 15.168 -5.235 1.00 0.00 H new ATOM 0 HG3 GLN B 149 1.666 13.896 -4.130 1.00 0.00 H new ATOM 0 HE21 GLN B 149 2.407 16.759 -4.272 1.00 0.00 H new ATOM 0 HE22 GLN B 149 4.169 16.795 -4.395 1.00 0.00 H new ATOM 2060 N ASP B 150 -0.505 14.050 -8.145 1.00 0.00 N ATOM 2061 CA ASP B 150 -1.413 14.968 -8.803 1.00 0.00 C ATOM 2062 C ASP B 150 -2.821 14.655 -8.362 1.00 0.00 C ATOM 2063 O ASP B 150 -3.535 15.519 -7.861 1.00 0.00 O ATOM 2064 CB ASP B 150 -1.332 14.746 -10.318 1.00 0.00 C ATOM 2065 CG ASP B 150 0.055 14.912 -10.895 1.00 0.00 C ATOM 2066 OD1 ASP B 150 0.998 14.200 -10.462 1.00 0.00 O ATOM 2067 OD2 ASP B 150 0.237 15.742 -11.793 1.00 0.00 O ATOM 0 H ASP B 150 0.098 13.552 -8.801 1.00 0.00 H new ATOM 0 HA ASP B 150 -1.148 15.995 -8.551 1.00 0.00 H new ATOM 0 HB2 ASP B 150 -1.691 13.742 -10.547 1.00 0.00 H new ATOM 0 HB3 ASP B 150 -2.005 15.446 -10.813 1.00 0.00 H new ATOM 2072 N GLU B 151 -3.170 13.376 -8.471 1.00 0.00 N ATOM 2073 CA GLU B 151 -4.488 12.868 -8.127 1.00 0.00 C ATOM 2074 C GLU B 151 -4.746 13.073 -6.656 1.00 0.00 C ATOM 2075 O GLU B 151 -5.817 13.497 -6.260 1.00 0.00 O ATOM 2076 CB GLU B 151 -4.581 11.376 -8.445 1.00 0.00 C ATOM 2077 CG GLU B 151 -4.173 11.016 -9.858 1.00 0.00 C ATOM 2078 CD GLU B 151 -4.971 11.741 -10.900 1.00 0.00 C ATOM 2079 OE1 GLU B 151 -6.020 11.221 -11.329 1.00 0.00 O ATOM 2080 OE2 GLU B 151 -4.558 12.828 -11.316 1.00 0.00 O ATOM 0 H GLU B 151 -2.532 12.654 -8.807 1.00 0.00 H new ATOM 0 HA GLU B 151 -5.232 13.409 -8.712 1.00 0.00 H new ATOM 0 HB2 GLU B 151 -3.950 10.827 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU B 151 -5.606 11.044 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU B 151 -3.116 11.243 -9.994 1.00 0.00 H new ATOM 0 HG3 GLU B 151 -4.289 9.942 -10.001 1.00 0.00 H new ATOM 2087 N LEU B 152 -3.738 12.795 -5.852 1.00 0.00 N ATOM 2088 CA LEU B 152 -3.841 12.964 -4.419 1.00 0.00 C ATOM 2089 C LEU B 152 -4.097 14.425 -4.070 1.00 0.00 C ATOM 2090 O LEU B 152 -4.881 14.720 -3.200 1.00 0.00 O ATOM 2091 CB LEU B 152 -2.585 12.452 -3.705 1.00 0.00 C ATOM 2092 CG LEU B 152 -2.217 10.985 -3.929 1.00 0.00 C ATOM 2093 CD1 LEU B 152 -0.972 10.623 -3.141 1.00 0.00 C ATOM 2094 CD2 LEU B 152 -3.373 10.065 -3.563 1.00 0.00 C ATOM 0 H LEU B 152 -2.833 12.449 -6.172 1.00 0.00 H new ATOM 0 HA LEU B 152 -4.687 12.370 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU B 152 -1.741 13.066 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU B 152 -2.714 12.611 -2.634 1.00 0.00 H new ATOM 0 HG LEU B 152 -2.007 10.849 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU B 152 -0.725 9.575 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU B 152 -0.141 11.250 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU B 152 -1.154 10.784 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU B 152 -3.081 9.029 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU B 152 -3.629 10.202 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU B 152 -4.238 10.304 -4.181 1.00 0.00 H new ATOM 2106 N THR B 153 -3.473 15.334 -4.790 1.00 0.00 N ATOM 2107 CA THR B 153 -3.669 16.753 -4.532 1.00 0.00 C ATOM 2108 C THR B 153 -5.107 17.146 -4.883 1.00 0.00 C ATOM 2109 O THR B 153 -5.702 17.981 -4.229 1.00 0.00 O ATOM 2110 CB THR B 153 -2.693 17.614 -5.348 1.00 0.00 C ATOM 2111 OG1 THR B 153 -1.367 17.067 -5.232 1.00 0.00 O ATOM 2112 CG2 THR B 153 -2.675 19.051 -4.821 1.00 0.00 C ATOM 0 H THR B 153 -2.830 15.123 -5.553 1.00 0.00 H new ATOM 0 HA THR B 153 -3.478 16.931 -3.474 1.00 0.00 H new ATOM 0 HB THR B 153 -3.017 17.616 -6.389 1.00 0.00 H new ATOM 0 HG1 THR B 153 -1.332 16.197 -5.682 1.00 0.00 H new ATOM 0 HG21 THR B 153 -1.978 19.646 -5.411 1.00 0.00 H new ATOM 0 HG22 THR B 153 -3.674 19.480 -4.899 1.00 0.00 H new ATOM 0 HG23 THR B 153 -2.360 19.052 -3.778 1.00 0.00 H new ATOM 2120 N SER B 154 -5.658 16.484 -5.876 1.00 0.00 N ATOM 2121 CA SER B 154 -6.982 16.723 -6.308 1.00 0.00 C ATOM 2122 C SER B 154 -7.980 16.204 -5.257 1.00 0.00 C ATOM 2123 O SER B 154 -8.927 16.899 -4.885 1.00 0.00 O ATOM 2124 CB SER B 154 -7.165 16.002 -7.623 1.00 0.00 C ATOM 2125 OG SER B 154 -6.161 16.377 -8.559 1.00 0.00 O ATOM 0 H SER B 154 -5.175 15.756 -6.403 1.00 0.00 H new ATOM 0 HA SER B 154 -7.164 17.790 -6.436 1.00 0.00 H new ATOM 0 HB2 SER B 154 -7.129 14.925 -7.459 1.00 0.00 H new ATOM 0 HB3 SER B 154 -8.150 16.229 -8.031 1.00 0.00 H new ATOM 0 HG SER B 154 -5.322 15.920 -8.340 1.00 0.00 H new ATOM 2131 N ILE B 155 -7.726 14.998 -4.769 1.00 0.00 N ATOM 2132 CA ILE B 155 -8.574 14.340 -3.776 1.00 0.00 C ATOM 2133 C ILE B 155 -8.452 15.000 -2.399 1.00 0.00 C ATOM 2134 O ILE B 155 -9.446 15.380 -1.785 1.00 0.00 O ATOM 2135 CB ILE B 155 -8.178 12.844 -3.621 1.00 0.00 C ATOM 2136 CG1 ILE B 155 -8.343 12.089 -4.943 1.00 0.00 C ATOM 2137 CG2 ILE B 155 -9.016 12.179 -2.530 1.00 0.00 C ATOM 2138 CD1 ILE B 155 -7.710 10.708 -4.943 1.00 0.00 C ATOM 0 H ILE B 155 -6.919 14.441 -5.051 1.00 0.00 H new ATOM 0 HA ILE B 155 -9.599 14.431 -4.134 1.00 0.00 H new ATOM 0 HB ILE B 155 -7.127 12.805 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE B 155 -9.406 11.991 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE B 155 -7.903 12.680 -5.746 1.00 0.00 H new ATOM 0 HG21 ILE B 155 -8.726 11.133 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE B 155 -8.849 12.689 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE B 155 -10.072 12.240 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE B 155 -7.868 10.235 -5.912 1.00 0.00 H new ATOM 0 HD12 ILE B 155 -6.640 10.798 -4.753 1.00 0.00 H new ATOM 0 HD13 ILE B 155 -8.167 10.098 -4.163 1.00 0.00 H new ATOM 2150 N LEU B 156 -7.232 15.119 -1.927 1.00 0.00 N ATOM 2151 CA LEU B 156 -6.988 15.580 -0.578 1.00 0.00 C ATOM 2152 C LEU B 156 -7.142 17.093 -0.506 1.00 0.00 C ATOM 2153 O LEU B 156 -7.591 17.646 0.510 1.00 0.00 O ATOM 2154 CB LEU B 156 -5.578 15.155 -0.096 1.00 0.00 C ATOM 2155 CG LEU B 156 -5.104 13.719 -0.468 1.00 0.00 C ATOM 2156 CD1 LEU B 156 -3.771 13.413 0.151 1.00 0.00 C ATOM 2157 CD2 LEU B 156 -6.110 12.643 -0.106 1.00 0.00 C ATOM 0 H LEU B 156 -6.389 14.902 -2.459 1.00 0.00 H new ATOM 0 HA LEU B 156 -7.723 15.120 0.082 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -4.855 15.865 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -5.549 15.250 0.989 1.00 0.00 H new ATOM 0 HG LEU B 156 -5.007 13.708 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -3.465 12.404 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -3.031 14.128 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -3.849 13.484 1.236 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -5.718 11.667 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -6.291 12.661 0.969 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -7.045 12.827 -0.634 1.00 0.00 H new ATOM 2169 N GLY B 157 -6.774 17.747 -1.588 1.00 0.00 N ATOM 2170 CA GLY B 157 -6.864 19.187 -1.687 1.00 0.00 C ATOM 2171 C GLY B 157 -5.666 19.885 -1.094 1.00 0.00 C ATOM 2172 O GLY B 157 -5.629 21.122 -0.999 1.00 0.00 O ATOM 0 H GLY B 157 -6.404 17.294 -2.424 1.00 0.00 H new ATOM 0 HA2 GLY B 157 -6.963 19.470 -2.735 1.00 0.00 H new ATOM 0 HA3 GLY B 157 -7.766 19.527 -1.179 1.00 0.00 H new ATOM 2176 N ASN B 158 -4.675 19.113 -0.696 1.00 0.00 N ATOM 2177 CA ASN B 158 -3.477 19.686 -0.132 1.00 0.00 C ATOM 2178 C ASN B 158 -2.320 19.028 -0.776 1.00 0.00 C ATOM 2179 O ASN B 158 -2.244 17.786 -0.792 1.00 0.00 O ATOM 2180 CB ASN B 158 -3.322 19.462 1.392 1.00 0.00 C ATOM 2181 CG ASN B 158 -4.605 19.339 2.158 1.00 0.00 C ATOM 2182 OD1 ASN B 158 -5.223 20.321 2.551 1.00 0.00 O ATOM 2183 ND2 ASN B 158 -4.973 18.119 2.431 1.00 0.00 N ATOM 0 H ASN B 158 -4.678 18.095 -0.753 1.00 0.00 H new ATOM 0 HA ASN B 158 -3.534 20.761 -0.304 1.00 0.00 H new ATOM 0 HB2 ASN B 158 -2.735 18.557 1.551 1.00 0.00 H new ATOM 0 HB3 ASN B 158 -2.749 20.291 1.807 1.00 0.00 H new ATOM 0 HD21 ASN B 158 -5.807 17.952 2.994 1.00 0.00 H new ATOM 0 HD22 ASN B 158 -4.427 17.331 2.082 1.00 0.00 H new ATOM 2190 N ALA B 159 -1.410 19.819 -1.284 1.00 0.00 N ATOM 2191 CA ALA B 159 -0.194 19.300 -1.868 1.00 0.00 C ATOM 2192 C ALA B 159 0.670 18.714 -0.774 1.00 0.00 C ATOM 2193 O ALA B 159 1.481 17.855 -1.023 1.00 0.00 O ATOM 2194 CB ALA B 159 0.567 20.387 -2.600 1.00 0.00 C ATOM 0 H ALA B 159 -1.487 20.836 -1.306 1.00 0.00 H new ATOM 0 HA ALA B 159 -0.455 18.527 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA B 159 1.477 19.968 -3.029 1.00 0.00 H new ATOM 0 HB2 ALA B 159 -0.056 20.794 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA B 159 0.828 21.182 -1.901 1.00 0.00 H new ATOM 2200 N ALA B 160 0.433 19.161 0.457 1.00 0.00 N ATOM 2201 CA ALA B 160 1.180 18.700 1.611 1.00 0.00 C ATOM 2202 C ALA B 160 0.894 17.246 1.846 1.00 0.00 C ATOM 2203 O ALA B 160 1.792 16.424 1.883 1.00 0.00 O ATOM 2204 CB ALA B 160 0.775 19.482 2.831 1.00 0.00 C ATOM 0 H ALA B 160 -0.284 19.853 0.676 1.00 0.00 H new ATOM 0 HA ALA B 160 2.244 18.843 1.424 1.00 0.00 H new ATOM 0 HB1 ALA B 160 1.341 19.130 3.693 1.00 0.00 H new ATOM 0 HB2 ALA B 160 0.981 20.540 2.670 1.00 0.00 H new ATOM 0 HB3 ALA B 160 -0.290 19.344 3.015 1.00 0.00 H new ATOM 2210 N ASN B 161 -0.381 16.932 1.961 1.00 0.00 N ATOM 2211 CA ASN B 161 -0.825 15.569 2.189 1.00 0.00 C ATOM 2212 C ASN B 161 -0.439 14.690 1.020 1.00 0.00 C ATOM 2213 O ASN B 161 0.077 13.595 1.198 1.00 0.00 O ATOM 2214 CB ASN B 161 -2.343 15.499 2.381 1.00 0.00 C ATOM 2215 CG ASN B 161 -2.882 15.920 3.740 1.00 0.00 C ATOM 2216 OD1 ASN B 161 -2.224 16.804 4.420 1.00 0.00 O flip ATOM 2217 ND2 ASN B 161 -3.919 15.428 4.158 1.00 0.00 N flip ATOM 0 H ASN B 161 -1.138 17.612 1.899 1.00 0.00 H new ATOM 0 HA ASN B 161 -0.339 15.216 3.099 1.00 0.00 H new ATOM 0 HB2 ASN B 161 -2.811 16.125 1.621 1.00 0.00 H new ATOM 0 HB3 ASN B 161 -2.663 14.474 2.191 1.00 0.00 H new ATOM 0 HD21 ASN B 161 -4.415 14.734 3.600 1.00 0.00 H new ATOM 0 HD22 ASN B 161 -4.289 15.712 5.065 1.00 0.00 H new ATOM 2224 N ALA B 162 -0.643 15.219 -0.178 1.00 0.00 N ATOM 2225 CA ALA B 162 -0.361 14.503 -1.405 1.00 0.00 C ATOM 2226 C ALA B 162 1.122 14.168 -1.521 1.00 0.00 C ATOM 2227 O ALA B 162 1.478 13.066 -1.911 1.00 0.00 O ATOM 2228 CB ALA B 162 -0.820 15.325 -2.598 1.00 0.00 C ATOM 0 H ALA B 162 -1.010 16.160 -0.322 1.00 0.00 H new ATOM 0 HA ALA B 162 -0.910 13.562 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA B 162 -0.605 14.782 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA B 162 -1.892 15.505 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA B 162 -0.292 16.278 -2.608 1.00 0.00 H new ATOM 2234 N LYS B 163 1.974 15.107 -1.131 1.00 0.00 N ATOM 2235 CA LYS B 163 3.405 14.939 -1.213 1.00 0.00 C ATOM 2236 C LYS B 163 3.857 13.909 -0.210 1.00 0.00 C ATOM 2237 O LYS B 163 4.664 13.033 -0.523 1.00 0.00 O ATOM 2238 CB LYS B 163 4.104 16.291 -0.974 1.00 0.00 C ATOM 2239 CG LYS B 163 5.607 16.214 -0.817 1.00 0.00 C ATOM 2240 CD LYS B 163 6.201 17.574 -0.502 1.00 0.00 C ATOM 2241 CE LYS B 163 7.692 17.473 -0.222 1.00 0.00 C ATOM 2242 NZ LYS B 163 7.982 16.623 0.959 1.00 0.00 N ATOM 0 H LYS B 163 1.683 16.007 -0.749 1.00 0.00 H new ATOM 0 HA LYS B 163 3.675 14.587 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS B 163 3.874 16.954 -1.808 1.00 0.00 H new ATOM 0 HB3 LYS B 163 3.683 16.747 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS B 163 5.856 15.513 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS B 163 6.051 15.825 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS B 163 6.031 18.251 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS B 163 5.695 18.003 0.362 1.00 0.00 H new ATOM 0 HE2 LYS B 163 8.198 17.063 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS B 163 8.098 18.471 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 8.951 16.805 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 7.310 16.846 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 7.888 15.621 0.697 1.00 0.00 H new ATOM 2256 N GLN B 164 3.289 13.990 0.976 1.00 0.00 N ATOM 2257 CA GLN B 164 3.627 13.091 2.057 1.00 0.00 C ATOM 2258 C GLN B 164 3.256 11.662 1.733 1.00 0.00 C ATOM 2259 O GLN B 164 4.087 10.740 1.867 1.00 0.00 O ATOM 2260 CB GLN B 164 2.963 13.534 3.343 1.00 0.00 C ATOM 2261 CG GLN B 164 3.457 14.851 3.850 1.00 0.00 C ATOM 2262 CD GLN B 164 2.869 15.185 5.189 1.00 0.00 C ATOM 2263 OE1 GLN B 164 3.423 14.858 6.231 1.00 0.00 O ATOM 2264 NE2 GLN B 164 1.749 15.826 5.175 1.00 0.00 N ATOM 0 H GLN B 164 2.579 14.682 1.216 1.00 0.00 H new ATOM 0 HA GLN B 164 4.708 13.128 2.189 1.00 0.00 H new ATOM 0 HB2 GLN B 164 1.887 13.596 3.183 1.00 0.00 H new ATOM 0 HB3 GLN B 164 3.128 12.775 4.107 1.00 0.00 H new ATOM 0 HG2 GLN B 164 4.544 14.828 3.925 1.00 0.00 H new ATOM 0 HG3 GLN B 164 3.204 15.634 3.136 1.00 0.00 H new ATOM 0 HE21 GLN B 164 1.318 16.081 4.286 1.00 0.00 H new ATOM 0 HE22 GLN B 164 1.294 16.078 6.053 1.00 0.00 H new ATOM 2273 N LEU B 165 2.044 11.483 1.273 1.00 0.00 N ATOM 2274 CA LEU B 165 1.540 10.179 0.968 1.00 0.00 C ATOM 2275 C LEU B 165 2.232 9.585 -0.281 1.00 0.00 C ATOM 2276 O LEU B 165 2.707 8.448 -0.240 1.00 0.00 O ATOM 2277 CB LEU B 165 -0.010 10.213 0.878 1.00 0.00 C ATOM 2278 CG LEU B 165 -0.719 8.914 0.526 1.00 0.00 C ATOM 2279 CD1 LEU B 165 -0.323 7.818 1.492 1.00 0.00 C ATOM 2280 CD2 LEU B 165 -2.224 9.128 0.566 1.00 0.00 C ATOM 0 H LEU B 165 1.383 12.241 1.101 1.00 0.00 H new ATOM 0 HA LEU B 165 1.787 9.495 1.780 1.00 0.00 H new ATOM 0 HB2 LEU B 165 -0.396 10.558 1.837 1.00 0.00 H new ATOM 0 HB3 LEU B 165 -0.288 10.961 0.135 1.00 0.00 H new ATOM 0 HG LEU B 165 -0.425 8.610 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU B 165 -0.839 6.895 1.227 1.00 0.00 H new ATOM 0 HD12 LEU B 165 0.754 7.659 1.441 1.00 0.00 H new ATOM 0 HD13 LEU B 165 -0.599 8.109 2.506 1.00 0.00 H new ATOM 0 HD21 LEU B 165 -2.731 8.197 0.314 1.00 0.00 H new ATOM 0 HD22 LEU B 165 -2.520 9.443 1.567 1.00 0.00 H new ATOM 0 HD23 LEU B 165 -2.501 9.898 -0.154 1.00 0.00 H new ATOM 2292 N TYR B 166 2.369 10.379 -1.355 1.00 0.00 N ATOM 2293 CA TYR B 166 3.030 9.922 -2.601 1.00 0.00 C ATOM 2294 C TYR B 166 4.467 9.461 -2.340 1.00 0.00 C ATOM 2295 O TYR B 166 4.932 8.423 -2.895 1.00 0.00 O ATOM 2296 CB TYR B 166 3.021 11.054 -3.631 1.00 0.00 C ATOM 2297 CG TYR B 166 3.764 10.799 -4.932 1.00 0.00 C ATOM 2298 CD1 TYR B 166 3.139 10.190 -6.008 1.00 0.00 C ATOM 2299 CD2 TYR B 166 5.082 11.220 -5.093 1.00 0.00 C ATOM 2300 CE1 TYR B 166 3.801 10.007 -7.204 1.00 0.00 C ATOM 2301 CE2 TYR B 166 5.751 11.031 -6.279 1.00 0.00 C ATOM 2302 CZ TYR B 166 5.108 10.430 -7.333 1.00 0.00 C ATOM 2303 OH TYR B 166 5.767 10.250 -8.519 1.00 0.00 O ATOM 0 H TYR B 166 2.033 11.341 -1.391 1.00 0.00 H new ATOM 0 HA TYR B 166 2.474 9.068 -2.987 1.00 0.00 H new ATOM 0 HB2 TYR B 166 1.984 11.287 -3.872 1.00 0.00 H new ATOM 0 HB3 TYR B 166 3.447 11.942 -3.164 1.00 0.00 H new ATOM 0 HD1 TYR B 166 2.118 9.853 -5.909 1.00 0.00 H new ATOM 0 HD2 TYR B 166 5.588 11.704 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR B 166 3.299 9.535 -8.035 1.00 0.00 H new ATOM 0 HE2 TYR B 166 6.777 11.353 -6.381 1.00 0.00 H new ATOM 0 HH TYR B 166 6.678 10.604 -8.444 1.00 0.00 H new ATOM 2313 N ASP B 167 5.157 10.223 -1.520 1.00 0.00 N ATOM 2314 CA ASP B 167 6.535 9.947 -1.138 1.00 0.00 C ATOM 2315 C ASP B 167 6.639 8.621 -0.411 1.00 0.00 C ATOM 2316 O ASP B 167 7.510 7.796 -0.720 1.00 0.00 O ATOM 2317 CB ASP B 167 7.068 11.081 -0.269 1.00 0.00 C ATOM 2318 CG ASP B 167 8.423 10.808 0.325 1.00 0.00 C ATOM 2319 OD1 ASP B 167 9.420 10.821 -0.412 1.00 0.00 O ATOM 2320 OD2 ASP B 167 8.510 10.615 1.553 1.00 0.00 O ATOM 0 H ASP B 167 4.776 11.066 -1.090 1.00 0.00 H new ATOM 0 HA ASP B 167 7.141 9.880 -2.041 1.00 0.00 H new ATOM 0 HB2 ASP B 167 7.121 11.990 -0.868 1.00 0.00 H new ATOM 0 HB3 ASP B 167 6.360 11.271 0.538 1.00 0.00 H new ATOM 2325 N PHE B 168 5.711 8.389 0.500 1.00 0.00 N ATOM 2326 CA PHE B 168 5.678 7.163 1.280 1.00 0.00 C ATOM 2327 C PHE B 168 5.364 5.957 0.393 1.00 0.00 C ATOM 2328 O PHE B 168 5.854 4.878 0.630 1.00 0.00 O ATOM 2329 CB PHE B 168 4.659 7.285 2.411 1.00 0.00 C ATOM 2330 CG PHE B 168 4.603 6.090 3.332 1.00 0.00 C ATOM 2331 CD1 PHE B 168 5.702 5.740 4.100 1.00 0.00 C ATOM 2332 CD2 PHE B 168 3.451 5.330 3.441 1.00 0.00 C ATOM 2333 CE1 PHE B 168 5.657 4.658 4.954 1.00 0.00 C ATOM 2334 CE2 PHE B 168 3.401 4.246 4.293 1.00 0.00 C ATOM 2335 CZ PHE B 168 4.506 3.910 5.050 1.00 0.00 C ATOM 0 H PHE B 168 4.960 9.043 0.720 1.00 0.00 H new ATOM 0 HA PHE B 168 6.664 7.006 1.716 1.00 0.00 H new ATOM 0 HB2 PHE B 168 4.893 8.172 3.000 1.00 0.00 H new ATOM 0 HB3 PHE B 168 3.671 7.441 1.978 1.00 0.00 H new ATOM 0 HD1 PHE B 168 6.608 6.324 4.029 1.00 0.00 H new ATOM 0 HD2 PHE B 168 2.583 5.588 2.853 1.00 0.00 H new ATOM 0 HE1 PHE B 168 6.522 4.399 5.546 1.00 0.00 H new ATOM 0 HE2 PHE B 168 2.497 3.660 4.368 1.00 0.00 H new ATOM 0 HZ PHE B 168 4.467 3.061 5.717 1.00 0.00 H new ATOM 2345 N ILE B 169 4.547 6.172 -0.622 1.00 0.00 N ATOM 2346 CA ILE B 169 4.185 5.138 -1.605 1.00 0.00 C ATOM 2347 C ILE B 169 5.406 4.701 -2.449 1.00 0.00 C ATOM 2348 O ILE B 169 5.525 3.527 -2.878 1.00 0.00 O ATOM 2349 CB ILE B 169 3.071 5.682 -2.551 1.00 0.00 C ATOM 2350 CG1 ILE B 169 1.777 5.924 -1.774 1.00 0.00 C ATOM 2351 CG2 ILE B 169 2.822 4.755 -3.735 1.00 0.00 C ATOM 2352 CD1 ILE B 169 0.709 6.620 -2.582 1.00 0.00 C ATOM 0 H ILE B 169 4.106 7.075 -0.799 1.00 0.00 H new ATOM 0 HA ILE B 169 3.822 4.268 -1.057 1.00 0.00 H new ATOM 0 HB ILE B 169 3.423 6.632 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE B 169 1.390 4.968 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE B 169 2.000 6.522 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE B 169 2.039 5.174 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE B 169 3.739 4.651 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE B 169 2.510 3.776 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE B 169 -0.180 6.759 -1.967 1.00 0.00 H new ATOM 0 HD12 ILE B 169 1.077 7.592 -2.912 1.00 0.00 H new ATOM 0 HD13 ILE B 169 0.458 6.013 -3.452 1.00 0.00 H new ATOM 2364 N HIS B 170 6.297 5.636 -2.690 1.00 0.00 N ATOM 2365 CA HIS B 170 7.445 5.382 -3.568 1.00 0.00 C ATOM 2366 C HIS B 170 8.756 5.014 -2.872 1.00 0.00 C ATOM 2367 O HIS B 170 9.517 4.224 -3.421 1.00 0.00 O ATOM 2368 CB HIS B 170 7.629 6.517 -4.565 1.00 0.00 C ATOM 2369 CG HIS B 170 6.571 6.513 -5.608 1.00 0.00 C ATOM 2370 ND1 HIS B 170 5.343 7.109 -5.436 1.00 0.00 N ATOM 2371 CD2 HIS B 170 6.527 5.910 -6.814 1.00 0.00 C ATOM 2372 CE1 HIS B 170 4.594 6.859 -6.490 1.00 0.00 C ATOM 2373 NE2 HIS B 170 5.286 6.140 -7.337 1.00 0.00 N ATOM 0 H HIS B 170 6.261 6.577 -2.299 1.00 0.00 H new ATOM 0 HA HIS B 170 7.182 4.470 -4.104 1.00 0.00 H new ATOM 0 HB2 HIS B 170 7.615 7.470 -4.037 1.00 0.00 H new ATOM 0 HB3 HIS B 170 8.607 6.429 -5.039 1.00 0.00 H new ATOM 0 HD1 HIS B 170 5.059 7.656 -4.623 1.00 0.00 H new ATOM 0 HD2 HIS B 170 7.324 5.350 -7.279 1.00 0.00 H new ATOM 0 HE1 HIS B 170 3.577 7.192 -6.632 1.00 0.00 H new ATOM 2382 N THR B 171 8.993 5.554 -1.684 1.00 0.00 N ATOM 2383 CA THR B 171 10.228 5.320 -0.919 1.00 0.00 C ATOM 2384 C THR B 171 10.507 3.826 -0.672 1.00 0.00 C ATOM 2385 O THR B 171 9.863 3.208 0.162 1.00 0.00 O ATOM 2386 CB THR B 171 10.163 6.062 0.446 1.00 0.00 C ATOM 2387 OG1 THR B 171 10.102 7.490 0.240 1.00 0.00 O ATOM 2388 CG2 THR B 171 11.355 5.716 1.336 1.00 0.00 C ATOM 0 H THR B 171 8.333 6.173 -1.213 1.00 0.00 H new ATOM 0 HA THR B 171 11.046 5.710 -1.525 1.00 0.00 H new ATOM 0 HB THR B 171 9.257 5.731 0.954 1.00 0.00 H new ATOM 0 HG1 THR B 171 9.213 7.735 -0.092 1.00 0.00 H new ATOM 0 HG21 THR B 171 11.273 6.254 2.280 1.00 0.00 H new ATOM 0 HG22 THR B 171 11.365 4.643 1.530 1.00 0.00 H new ATOM 0 HG23 THR B 171 12.279 6.003 0.834 1.00 0.00 H new ATOM 2396 N SER B 172 11.457 3.273 -1.415 1.00 0.00 N ATOM 2397 CA SER B 172 11.858 1.873 -1.271 1.00 0.00 C ATOM 2398 C SER B 172 12.230 1.569 0.200 1.00 0.00 C ATOM 2399 O SER B 172 12.794 2.434 0.904 1.00 0.00 O ATOM 2400 CB SER B 172 13.034 1.556 -2.224 1.00 0.00 C ATOM 2401 OG SER B 172 13.316 0.170 -2.272 1.00 0.00 O ATOM 0 H SER B 172 11.973 3.779 -2.135 1.00 0.00 H new ATOM 0 HA SER B 172 11.019 1.232 -1.543 1.00 0.00 H new ATOM 0 HB2 SER B 172 12.795 1.913 -3.226 1.00 0.00 H new ATOM 0 HB3 SER B 172 13.922 2.096 -1.896 1.00 0.00 H new ATOM 0 HG SER B 172 12.477 -0.333 -2.335 1.00 0.00 H new ATOM 2407 N PHE B 173 11.945 0.343 0.648 1.00 0.00 N ATOM 2408 CA PHE B 173 12.116 -0.072 2.051 1.00 0.00 C ATOM 2409 C PHE B 173 13.573 0.135 2.528 1.00 0.00 C ATOM 2410 O PHE B 173 13.840 0.313 3.726 1.00 0.00 O ATOM 2411 CB PHE B 173 11.750 -1.563 2.223 1.00 0.00 C ATOM 2412 CG PHE B 173 10.688 -2.096 1.274 1.00 0.00 C ATOM 2413 CD1 PHE B 173 9.313 -2.045 1.558 1.00 0.00 C ATOM 2414 CD2 PHE B 173 11.088 -2.680 0.076 1.00 0.00 C ATOM 2415 CE1 PHE B 173 8.409 -2.564 0.638 1.00 0.00 C ATOM 2416 CE2 PHE B 173 10.179 -3.189 -0.812 1.00 0.00 C ATOM 2417 CZ PHE B 173 8.843 -3.127 -0.534 1.00 0.00 C ATOM 0 H PHE B 173 11.586 -0.398 0.046 1.00 0.00 H new ATOM 0 HA PHE B 173 11.451 0.548 2.652 1.00 0.00 H new ATOM 0 HB2 PHE B 173 12.655 -2.157 2.096 1.00 0.00 H new ATOM 0 HB3 PHE B 173 11.407 -1.718 3.246 1.00 0.00 H new ATOM 0 HD1 PHE B 173 8.962 -1.607 2.481 1.00 0.00 H new ATOM 0 HD2 PHE B 173 12.141 -2.733 -0.159 1.00 0.00 H new ATOM 0 HE1 PHE B 173 7.351 -2.523 0.850 1.00 0.00 H new ATOM 0 HE2 PHE B 173 10.518 -3.640 -1.733 1.00 0.00 H new ATOM 0 HZ PHE B 173 8.127 -3.522 -1.239 1.00 0.00 H new