USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 131 HIS : no HE2:sc= -0.719 K(o=0.71,f=-0.78) USER MOD Set 1.2: A 142 CYS SG : rot 141:sc= 1.76 USER MOD Set 1.3: A 143 CYS SG : rot 147:sc= 0.332 USER MOD Set 1.4: A 145 GLN :FLIP amide:sc= 0.716 F(o=-3.3,f=0.71) USER MOD Set 1.5: A 153 CYS SG : rot 140:sc= -1.38! USER MOD Set 2.1: A 91 GLN : amide:sc= 0.405 X(o=2.1,f=2) USER MOD Set 2.2: A 100 TYR OH : rot -28:sc= 1.73 USER MOD Set 3.1: A 71 CYS SG : rot 9:sc= -1.09 USER MOD Set 3.2: A 127 MET CE :methyl -159:sc= -0.318 (180deg=-0.825) USER MOD Set 4.1: A 47 MET CE :methyl -108:sc= -0.0811 (180deg=-0.614) USER MOD Set 4.2: A 49 THR OG1 : rot 130:sc= 0 USER MOD Set 5.1: A 35 ASN : amide:sc= -0.0228 K(o=-0.023,f=-4.5!) USER MOD Set 5.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 21:sc= 1.08 USER MOD Single : A 25 SER OG : rot 150:sc= -1.19 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.165 USER MOD Single : A 44 THR OG1 : rot -36:sc= 1.17 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -128:sc= 0.313 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= 0.958 (180deg=0.117) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.114) USER MOD Single : A 84 CYS SG : rot 10:sc= -4.14! USER MOD Single : A 85 GLN :FLIP amide:sc= -0.342 F(o=-0.88,f=-0.34) USER MOD Single : A 86 ASN : amide:sc= -1.92 K(o=-1.9,f=-4.9!) USER MOD Single : A 87 LYS NZ :NH3+ 177:sc= 0.571 (180deg=0.546) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS :FLIP no HE2:sc= -1.03 F(o=-1.9,f=-1) USER MOD Single : A 97 ASN :FLIP amide:sc=-0.00528 F(o=-1.5,f=-0.0053) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -111:sc= 0.108 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 172:sc= 0.254 (180deg=0.243) USER MOD Single : A 121 LYS NZ :NH3+ -124:sc= 0.822 (180deg=-0.581) USER MOD Single : A 122 ASN : amide:sc= 0.292 X(o=0.29,f=0) USER MOD Single : A 123 ASN : amide:sc= 0.071 K(o=0.071,f=-1.2) USER MOD Single : A 124 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 125 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.65) USER MOD Single : A 129 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0887) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 172:sc=-0.00902 (180deg=-0.107) USER MOD Single : A 136 THR OG1 : rot -100:sc= 0.46 USER MOD Single : A 139 SER OG : rot -136:sc= -1.82! USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 GLN : amide:sc= -0.622 K(o=-0.62,f=-5.8!) USER MOD Single : A 146 THR OG1 : rot -44:sc= 0.272 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 TYR OH : rot 13:sc= 0.369 USER MOD Single : A 157 ASN : amide:sc= -0.0607 K(o=-0.061,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 229 N THR A 15 -9.864 -1.886 14.578 1.00 3.21 N ATOM 230 CA THR A 15 -9.204 -1.477 13.328 1.00 0.42 C ATOM 231 C THR A 15 -9.945 -0.310 12.659 1.00 12.21 C ATOM 232 O THR A 15 -11.130 -0.066 12.921 1.00 52.14 O ATOM 233 CB THR A 15 -9.133 -2.699 12.340 1.00 13.02 C ATOM 234 OG1 THR A 15 -8.426 -2.354 11.140 1.00 53.53 O ATOM 235 CG2 THR A 15 -10.524 -3.237 11.967 1.00 61.43 C ATOM 0 HA THR A 15 -8.196 -1.141 13.572 1.00 0.42 H new ATOM 0 HB THR A 15 -8.595 -3.484 12.871 1.00 13.02 H new ATOM 0 HG1 THR A 15 -7.863 -1.569 11.306 1.00 53.53 H new ATOM 0 HG21 THR A 15 -10.417 -4.079 11.283 1.00 61.43 H new ATOM 0 HG22 THR A 15 -11.041 -3.565 12.869 1.00 61.43 H new ATOM 0 HG23 THR A 15 -11.101 -2.449 11.484 1.00 61.43 H new ATOM 243 N ILE A 16 -9.211 0.410 11.806 1.00 10.43 N ATOM 244 CA ILE A 16 -9.755 1.437 10.910 1.00 21.41 C ATOM 245 C ILE A 16 -10.544 0.744 9.781 1.00 32.12 C ATOM 246 O ILE A 16 -11.672 1.128 9.457 1.00 25.02 O ATOM 247 CB ILE A 16 -8.594 2.299 10.286 1.00 33.11 C ATOM 248 CG1 ILE A 16 -7.634 2.858 11.389 1.00 60.30 C ATOM 249 CG2 ILE A 16 -9.151 3.450 9.416 1.00 1.23 C ATOM 250 CD1 ILE A 16 -6.385 3.524 10.842 1.00 35.14 C ATOM 0 H ILE A 16 -8.202 0.294 11.716 1.00 10.43 H new ATOM 0 HA ILE A 16 -10.409 2.098 11.478 1.00 21.41 H new ATOM 0 HB ILE A 16 -8.015 1.637 9.642 1.00 33.11 H new ATOM 0 HG12 ILE A 16 -8.179 3.578 12.000 1.00 60.30 H new ATOM 0 HG13 ILE A 16 -7.339 2.041 12.047 1.00 60.30 H new ATOM 0 HG21 ILE A 16 -8.324 4.025 9.001 1.00 1.23 H new ATOM 0 HG22 ILE A 16 -9.749 3.036 8.604 1.00 1.23 H new ATOM 0 HG23 ILE A 16 -9.774 4.101 10.029 1.00 1.23 H new ATOM 0 HD11 ILE A 16 -5.773 3.884 11.669 1.00 35.14 H new ATOM 0 HD12 ILE A 16 -5.815 2.803 10.256 1.00 35.14 H new ATOM 0 HD13 ILE A 16 -6.669 4.364 10.208 1.00 35.14 H new ATOM 262 N LEU A 17 -9.918 -0.307 9.217 1.00 32.24 N ATOM 263 CA LEU A 17 -10.449 -1.068 8.073 1.00 41.24 C ATOM 264 C LEU A 17 -9.734 -2.427 7.974 1.00 4.43 C ATOM 265 O LEU A 17 -8.540 -2.534 8.282 1.00 32.41 O ATOM 266 CB LEU A 17 -10.275 -0.257 6.747 1.00 65.15 C ATOM 267 CG LEU A 17 -10.786 -0.936 5.431 1.00 24.25 C ATOM 268 CD1 LEU A 17 -12.275 -1.348 5.525 1.00 35.40 C ATOM 269 CD2 LEU A 17 -10.539 -0.015 4.218 1.00 31.31 C ATOM 0 H LEU A 17 -9.018 -0.654 9.548 1.00 32.24 H new ATOM 0 HA LEU A 17 -11.514 -1.241 8.227 1.00 41.24 H new ATOM 0 HB2 LEU A 17 -10.793 0.695 6.861 1.00 65.15 H new ATOM 0 HB3 LEU A 17 -9.216 -0.031 6.623 1.00 65.15 H new ATOM 0 HG LEU A 17 -10.215 -1.854 5.293 1.00 24.25 H new ATOM 0 HD11 LEU A 17 -12.583 -1.814 4.589 1.00 35.40 H new ATOM 0 HD12 LEU A 17 -12.406 -2.056 6.343 1.00 35.40 H new ATOM 0 HD13 LEU A 17 -12.886 -0.464 5.709 1.00 35.40 H new ATOM 0 HD21 LEU A 17 -10.900 -0.502 3.312 1.00 31.31 H new ATOM 0 HD22 LEU A 17 -11.071 0.926 4.361 1.00 31.31 H new ATOM 0 HD23 LEU A 17 -9.471 0.183 4.123 1.00 31.31 H new ATOM 281 N GLU A 18 -10.483 -3.463 7.567 1.00 43.43 N ATOM 282 CA GLU A 18 -9.948 -4.809 7.304 1.00 40.20 C ATOM 283 C GLU A 18 -10.519 -5.336 5.970 1.00 0.15 C ATOM 284 O GLU A 18 -11.682 -5.079 5.638 1.00 71.25 O ATOM 285 CB GLU A 18 -10.268 -5.782 8.480 1.00 13.11 C ATOM 286 CG GLU A 18 -11.754 -6.161 8.688 1.00 43.13 C ATOM 287 CD GLU A 18 -12.660 -5.012 9.191 1.00 34.21 C ATOM 288 OE1 GLU A 18 -13.208 -4.249 8.360 1.00 54.13 O ATOM 289 OE2 GLU A 18 -12.851 -4.890 10.418 1.00 63.01 O ATOM 0 H GLU A 18 -11.488 -3.390 7.409 1.00 43.43 H new ATOM 0 HA GLU A 18 -8.862 -4.750 7.225 1.00 40.20 H new ATOM 0 HB2 GLU A 18 -9.702 -6.700 8.325 1.00 13.11 H new ATOM 0 HB3 GLU A 18 -9.900 -5.333 9.402 1.00 13.11 H new ATOM 0 HG2 GLU A 18 -12.154 -6.532 7.744 1.00 43.13 H new ATOM 0 HG3 GLU A 18 -11.807 -6.983 9.401 1.00 43.13 H new ATOM 296 N GLU A 19 -9.681 -6.054 5.203 1.00 3.31 N ATOM 297 CA GLU A 19 -10.059 -6.602 3.879 1.00 13.52 C ATOM 298 C GLU A 19 -9.067 -7.699 3.474 1.00 2.22 C ATOM 299 O GLU A 19 -7.902 -7.663 3.873 1.00 3.30 O ATOM 300 CB GLU A 19 -10.079 -5.458 2.813 1.00 55.50 C ATOM 301 CG GLU A 19 -10.434 -5.862 1.360 1.00 52.01 C ATOM 302 CD GLU A 19 -11.881 -6.349 1.177 1.00 54.42 C ATOM 303 OE1 GLU A 19 -12.153 -7.554 1.401 1.00 51.22 O ATOM 304 OE2 GLU A 19 -12.751 -5.528 0.816 1.00 52.34 O ATOM 0 H GLU A 19 -8.724 -6.273 5.478 1.00 3.31 H new ATOM 0 HA GLU A 19 -11.057 -7.035 3.938 1.00 13.52 H new ATOM 0 HB2 GLU A 19 -10.793 -4.702 3.139 1.00 55.50 H new ATOM 0 HB3 GLU A 19 -9.097 -4.985 2.804 1.00 55.50 H new ATOM 0 HG2 GLU A 19 -10.265 -5.007 0.705 1.00 52.01 H new ATOM 0 HG3 GLU A 19 -9.754 -6.650 1.037 1.00 52.01 H new ATOM 311 N ILE A 20 -9.543 -8.680 2.681 1.00 1.32 N ATOM 312 CA ILE A 20 -8.697 -9.755 2.148 1.00 31.42 C ATOM 313 C ILE A 20 -7.992 -9.246 0.870 1.00 15.41 C ATOM 314 O ILE A 20 -8.599 -9.171 -0.210 1.00 35.40 O ATOM 315 CB ILE A 20 -9.540 -11.050 1.846 1.00 65.42 C ATOM 316 CG1 ILE A 20 -10.330 -11.524 3.112 1.00 12.23 C ATOM 317 CG2 ILE A 20 -8.653 -12.196 1.305 1.00 22.20 C ATOM 318 CD1 ILE A 20 -9.480 -12.024 4.275 1.00 53.23 C ATOM 0 H ILE A 20 -10.520 -8.745 2.396 1.00 1.32 H new ATOM 0 HA ILE A 20 -7.951 -10.027 2.894 1.00 31.42 H new ATOM 0 HB ILE A 20 -10.260 -10.787 1.071 1.00 65.42 H new ATOM 0 HG12 ILE A 20 -10.944 -10.696 3.465 1.00 12.23 H new ATOM 0 HG13 ILE A 20 -11.011 -12.322 2.815 1.00 12.23 H new ATOM 0 HG21 ILE A 20 -9.271 -13.072 1.109 1.00 22.20 H new ATOM 0 HG22 ILE A 20 -8.171 -11.877 0.381 1.00 22.20 H new ATOM 0 HG23 ILE A 20 -7.892 -12.447 2.044 1.00 22.20 H new ATOM 0 HD11 ILE A 20 -10.129 -12.326 5.097 1.00 53.23 H new ATOM 0 HD12 ILE A 20 -8.885 -12.877 3.950 1.00 53.23 H new ATOM 0 HD13 ILE A 20 -8.817 -11.226 4.611 1.00 53.23 H new ATOM 330 N LEU A 21 -6.725 -8.848 1.029 1.00 40.11 N ATOM 331 CA LEU A 21 -5.913 -8.231 -0.036 1.00 13.12 C ATOM 332 C LEU A 21 -4.779 -9.176 -0.471 1.00 43.22 C ATOM 333 O LEU A 21 -4.410 -10.091 0.266 1.00 15.22 O ATOM 334 CB LEU A 21 -5.309 -6.912 0.491 1.00 0.35 C ATOM 335 CG LEU A 21 -6.309 -5.830 1.010 1.00 24.15 C ATOM 336 CD1 LEU A 21 -5.577 -4.708 1.772 1.00 1.30 C ATOM 337 CD2 LEU A 21 -7.135 -5.241 -0.144 1.00 31.35 C ATOM 0 H LEU A 21 -6.224 -8.945 1.912 1.00 40.11 H new ATOM 0 HA LEU A 21 -6.550 -8.035 -0.898 1.00 13.12 H new ATOM 0 HB2 LEU A 21 -4.622 -7.154 1.302 1.00 0.35 H new ATOM 0 HB3 LEU A 21 -4.715 -6.468 -0.308 1.00 0.35 H new ATOM 0 HG LEU A 21 -6.990 -6.323 1.704 1.00 24.15 H new ATOM 0 HD11 LEU A 21 -6.302 -3.972 2.120 1.00 1.30 H new ATOM 0 HD12 LEU A 21 -5.052 -5.132 2.628 1.00 1.30 H new ATOM 0 HD13 LEU A 21 -4.859 -4.226 1.108 1.00 1.30 H new ATOM 0 HD21 LEU A 21 -7.822 -4.491 0.247 1.00 31.35 H new ATOM 0 HD22 LEU A 21 -6.467 -4.778 -0.870 1.00 31.35 H new ATOM 0 HD23 LEU A 21 -7.702 -6.036 -0.628 1.00 31.35 H new ATOM 349 N ILE A 22 -4.214 -8.922 -1.665 1.00 41.41 N ATOM 350 CA ILE A 22 -3.071 -9.696 -2.195 1.00 23.24 C ATOM 351 C ILE A 22 -1.747 -8.940 -1.969 1.00 74.23 C ATOM 352 O ILE A 22 -1.603 -7.790 -2.379 1.00 60.33 O ATOM 353 CB ILE A 22 -3.270 -10.032 -3.729 1.00 34.13 C ATOM 354 CG1 ILE A 22 -4.482 -11.004 -3.885 1.00 53.14 C ATOM 355 CG2 ILE A 22 -1.986 -10.617 -4.372 1.00 23.23 C ATOM 356 CD1 ILE A 22 -4.724 -11.566 -5.269 1.00 22.13 C ATOM 0 H ILE A 22 -4.532 -8.180 -2.288 1.00 41.41 H new ATOM 0 HA ILE A 22 -3.024 -10.639 -1.649 1.00 23.24 H new ATOM 0 HB ILE A 22 -3.479 -9.105 -4.264 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -4.341 -11.838 -3.198 1.00 53.14 H new ATOM 0 HG13 ILE A 22 -5.383 -10.479 -3.568 1.00 53.14 H new ATOM 0 HG21 ILE A 22 -2.171 -10.832 -5.424 1.00 23.23 H new ATOM 0 HG22 ILE A 22 -1.175 -9.894 -4.287 1.00 23.23 H new ATOM 0 HG23 ILE A 22 -1.708 -11.537 -3.858 1.00 23.23 H new ATOM 0 HD11 ILE A 22 -5.592 -12.226 -5.247 1.00 22.13 H new ATOM 0 HD12 ILE A 22 -4.907 -10.749 -5.967 1.00 22.13 H new ATOM 0 HD13 ILE A 22 -3.848 -12.129 -5.591 1.00 22.13 H new ATOM 368 N LYS A 23 -0.789 -9.604 -1.303 1.00 15.25 N ATOM 369 CA LYS A 23 0.570 -9.090 -1.141 1.00 11.51 C ATOM 370 C LYS A 23 1.438 -9.549 -2.325 1.00 53.12 C ATOM 371 O LYS A 23 1.525 -10.754 -2.600 1.00 22.14 O ATOM 372 CB LYS A 23 1.203 -9.604 0.193 1.00 73.45 C ATOM 373 CG LYS A 23 2.620 -9.037 0.471 1.00 70.30 C ATOM 374 CD LYS A 23 3.318 -9.646 1.714 1.00 2.51 C ATOM 375 CE LYS A 23 4.726 -9.040 1.940 1.00 13.44 C ATOM 376 NZ LYS A 23 5.453 -9.662 3.090 1.00 11.14 N ATOM 0 H LYS A 23 -0.940 -10.512 -0.864 1.00 15.25 H new ATOM 0 HA LYS A 23 0.526 -8.001 -1.111 1.00 11.51 H new ATOM 0 HB2 LYS A 23 0.546 -9.339 1.022 1.00 73.45 H new ATOM 0 HB3 LYS A 23 1.256 -10.692 0.164 1.00 73.45 H new ATOM 0 HG2 LYS A 23 3.246 -9.210 -0.404 1.00 70.30 H new ATOM 0 HG3 LYS A 23 2.547 -7.957 0.602 1.00 70.30 H new ATOM 0 HD2 LYS A 23 2.703 -9.474 2.597 1.00 2.51 H new ATOM 0 HD3 LYS A 23 3.403 -10.726 1.590 1.00 2.51 H new ATOM 0 HE2 LYS A 23 5.318 -9.164 1.033 1.00 13.44 H new ATOM 0 HE3 LYS A 23 4.630 -7.968 2.115 1.00 13.44 H new ATOM 0 HZ1 LYS A 23 6.387 -9.217 3.192 1.00 11.14 H new ATOM 0 HZ2 LYS A 23 4.906 -9.522 3.963 1.00 11.14 H new ATOM 0 HZ3 LYS A 23 5.572 -10.680 2.915 1.00 11.14 H new ATOM 390 N ARG A 24 2.057 -8.591 -3.033 1.00 74.03 N ATOM 391 CA ARG A 24 3.237 -8.881 -3.853 1.00 74.12 C ATOM 392 C ARG A 24 4.433 -8.850 -2.899 1.00 74.14 C ATOM 393 O ARG A 24 4.737 -7.795 -2.310 1.00 62.04 O ATOM 394 CB ARG A 24 3.436 -7.852 -5.001 1.00 43.43 C ATOM 395 CG ARG A 24 4.794 -7.992 -5.744 1.00 22.31 C ATOM 396 CD ARG A 24 5.040 -6.903 -6.808 1.00 41.10 C ATOM 397 NE ARG A 24 4.270 -7.122 -8.049 1.00 5.15 N ATOM 398 CZ ARG A 24 4.568 -6.572 -9.245 1.00 41.21 C ATOM 399 NH1 ARG A 24 5.627 -5.770 -9.389 1.00 31.14 N ATOM 400 NH2 ARG A 24 3.823 -6.877 -10.302 1.00 70.41 N ATOM 0 H ARG A 24 1.760 -7.615 -3.052 1.00 74.03 H new ATOM 0 HA ARG A 24 3.122 -9.849 -4.342 1.00 74.12 H new ATOM 0 HB2 ARG A 24 2.626 -7.965 -5.721 1.00 43.43 H new ATOM 0 HB3 ARG A 24 3.360 -6.845 -4.590 1.00 43.43 H new ATOM 0 HG2 ARG A 24 5.602 -7.961 -5.013 1.00 22.31 H new ATOM 0 HG3 ARG A 24 4.836 -8.970 -6.223 1.00 22.31 H new ATOM 0 HD2 ARG A 24 4.778 -5.930 -6.391 1.00 41.10 H new ATOM 0 HD3 ARG A 24 6.103 -6.871 -7.048 1.00 41.10 H new ATOM 0 HE ARG A 24 3.455 -7.733 -7.999 1.00 5.15 H new ATOM 0 HH11 ARG A 24 6.224 -5.565 -8.588 1.00 31.14 H new ATOM 0 HH12 ARG A 24 5.838 -5.363 -10.300 1.00 31.14 H new ATOM 0 HH21 ARG A 24 3.037 -7.520 -10.204 1.00 70.41 H new ATOM 0 HH22 ARG A 24 4.037 -6.469 -11.212 1.00 70.41 H new ATOM 414 N SER A 25 5.066 -10.006 -2.700 1.00 54.13 N ATOM 415 CA SER A 25 6.195 -10.135 -1.783 1.00 43.14 C ATOM 416 C SER A 25 7.473 -9.601 -2.449 1.00 4.24 C ATOM 417 O SER A 25 7.702 -9.828 -3.643 1.00 60.43 O ATOM 418 CB SER A 25 6.342 -11.608 -1.367 1.00 2.22 C ATOM 419 OG SER A 25 6.444 -12.457 -2.499 1.00 43.14 O ATOM 0 H SER A 25 4.811 -10.875 -3.169 1.00 54.13 H new ATOM 0 HA SER A 25 6.020 -9.542 -0.885 1.00 43.14 H new ATOM 0 HB2 SER A 25 7.227 -11.725 -0.742 1.00 2.22 H new ATOM 0 HB3 SER A 25 5.484 -11.905 -0.764 1.00 2.22 H new ATOM 0 HG SER A 25 6.988 -13.240 -2.273 1.00 43.14 H new ATOM 583 N ASN A 35 5.635 -13.475 -6.099 1.00 64.35 N ATOM 584 CA ASN A 35 4.621 -14.275 -5.396 1.00 13.14 C ATOM 585 C ASN A 35 3.452 -13.364 -4.970 1.00 70.11 C ATOM 586 O ASN A 35 3.662 -12.304 -4.364 1.00 55.31 O ATOM 587 CB ASN A 35 5.291 -14.983 -4.181 1.00 24.33 C ATOM 588 CG ASN A 35 4.444 -16.078 -3.508 1.00 12.41 C ATOM 589 OD1 ASN A 35 3.216 -16.032 -3.474 1.00 3.50 O ATOM 590 ND2 ASN A 35 5.112 -17.071 -2.948 1.00 50.41 N ATOM 0 HA ASN A 35 4.212 -15.045 -6.050 1.00 13.14 H new ATOM 0 HB2 ASN A 35 6.230 -15.426 -4.512 1.00 24.33 H new ATOM 0 HB3 ASN A 35 5.540 -14.229 -3.434 1.00 24.33 H new ATOM 0 HD21 ASN A 35 4.609 -17.821 -2.474 1.00 50.41 H new ATOM 0 HD22 ASN A 35 6.131 -17.087 -2.989 1.00 50.41 H new ATOM 597 N TYR A 36 2.230 -13.786 -5.311 1.00 13.12 N ATOM 598 CA TYR A 36 0.996 -13.046 -5.026 1.00 53.31 C ATOM 599 C TYR A 36 0.148 -13.891 -4.080 1.00 72.44 C ATOM 600 O TYR A 36 -0.382 -14.941 -4.475 1.00 43.42 O ATOM 601 CB TYR A 36 0.242 -12.748 -6.345 1.00 30.15 C ATOM 602 CG TYR A 36 1.063 -11.907 -7.341 1.00 12.01 C ATOM 603 CD1 TYR A 36 1.170 -10.520 -7.207 1.00 30.30 C ATOM 604 CD2 TYR A 36 1.756 -12.506 -8.402 1.00 12.21 C ATOM 605 CE1 TYR A 36 1.933 -9.773 -8.087 1.00 3.32 C ATOM 606 CE2 TYR A 36 2.514 -11.753 -9.283 1.00 71.33 C ATOM 607 CZ TYR A 36 2.600 -10.389 -9.119 1.00 34.34 C ATOM 608 OH TYR A 36 3.380 -9.635 -9.969 1.00 3.11 O ATOM 0 H TYR A 36 2.068 -14.666 -5.801 1.00 13.12 H new ATOM 0 HA TYR A 36 1.219 -12.089 -4.555 1.00 53.31 H new ATOM 0 HB2 TYR A 36 -0.035 -13.690 -6.818 1.00 30.15 H new ATOM 0 HB3 TYR A 36 -0.685 -12.223 -6.115 1.00 30.15 H new ATOM 0 HD1 TYR A 36 0.648 -10.023 -6.403 1.00 30.30 H new ATOM 0 HD2 TYR A 36 1.698 -13.576 -8.535 1.00 12.21 H new ATOM 0 HE1 TYR A 36 2.005 -8.703 -7.963 1.00 3.32 H new ATOM 0 HE2 TYR A 36 3.036 -12.235 -10.096 1.00 71.33 H new ATOM 0 HH TYR A 36 3.785 -10.218 -10.645 1.00 3.11 H new ATOM 618 N LYS A 37 0.061 -13.461 -2.817 1.00 30.42 N ATOM 619 CA LYS A 37 -0.561 -14.260 -1.752 1.00 34.15 C ATOM 620 C LYS A 37 -1.691 -13.462 -1.093 1.00 12.52 C ATOM 621 O LYS A 37 -1.463 -12.374 -0.571 1.00 75.10 O ATOM 622 CB LYS A 37 0.525 -14.697 -0.722 1.00 1.32 C ATOM 623 CG LYS A 37 0.153 -15.929 0.143 1.00 61.41 C ATOM 624 CD LYS A 37 -0.244 -17.179 -0.688 1.00 53.21 C ATOM 625 CE LYS A 37 0.832 -17.628 -1.703 1.00 4.45 C ATOM 626 NZ LYS A 37 2.084 -18.117 -1.060 1.00 61.31 N ATOM 0 H LYS A 37 0.416 -12.557 -2.504 1.00 30.42 H new ATOM 0 HA LYS A 37 -1.001 -15.164 -2.174 1.00 34.15 H new ATOM 0 HB2 LYS A 37 1.447 -14.916 -1.260 1.00 1.32 H new ATOM 0 HB3 LYS A 37 0.734 -13.857 -0.059 1.00 1.32 H new ATOM 0 HG2 LYS A 37 0.999 -16.182 0.782 1.00 61.41 H new ATOM 0 HG3 LYS A 37 -0.675 -15.663 0.801 1.00 61.41 H new ATOM 0 HD2 LYS A 37 -0.453 -18.004 -0.007 1.00 53.21 H new ATOM 0 HD3 LYS A 37 -1.169 -16.967 -1.225 1.00 53.21 H new ATOM 0 HE2 LYS A 37 0.422 -18.419 -2.330 1.00 4.45 H new ATOM 0 HE3 LYS A 37 1.072 -16.792 -2.360 1.00 4.45 H new ATOM 0 HZ1 LYS A 37 2.763 -18.402 -1.794 1.00 61.31 H new ATOM 0 HZ2 LYS A 37 2.497 -17.357 -0.482 1.00 61.31 H new ATOM 0 HZ3 LYS A 37 1.867 -18.934 -0.454 1.00 61.31 H new ATOM 640 N GLU A 38 -2.892 -14.049 -1.104 1.00 54.42 N ATOM 641 CA GLU A 38 -4.149 -13.361 -0.743 1.00 73.24 C ATOM 642 C GLU A 38 -4.548 -13.704 0.694 1.00 13.30 C ATOM 643 O GLU A 38 -4.905 -14.848 0.986 1.00 11.23 O ATOM 644 CB GLU A 38 -5.273 -13.763 -1.732 1.00 64.02 C ATOM 645 CG GLU A 38 -6.577 -12.943 -1.578 1.00 33.52 C ATOM 646 CD GLU A 38 -7.721 -13.431 -2.477 1.00 61.42 C ATOM 647 OE1 GLU A 38 -7.833 -12.978 -3.634 1.00 52.41 O ATOM 648 OE2 GLU A 38 -8.508 -14.289 -2.026 1.00 13.24 O ATOM 0 H GLU A 38 -3.027 -15.026 -1.366 1.00 54.42 H new ATOM 0 HA GLU A 38 -3.996 -12.284 -0.807 1.00 73.24 H new ATOM 0 HB2 GLU A 38 -4.903 -13.648 -2.751 1.00 64.02 H new ATOM 0 HB3 GLU A 38 -5.503 -14.819 -1.593 1.00 64.02 H new ATOM 0 HG2 GLU A 38 -6.901 -12.984 -0.538 1.00 33.52 H new ATOM 0 HG3 GLU A 38 -6.368 -11.898 -1.806 1.00 33.52 H new ATOM 655 N ARG A 39 -4.463 -12.717 1.602 1.00 52.40 N ATOM 656 CA ARG A 39 -4.676 -12.916 3.048 1.00 53.41 C ATOM 657 C ARG A 39 -5.377 -11.699 3.671 1.00 52.51 C ATOM 658 O ARG A 39 -5.657 -10.715 2.981 1.00 61.22 O ATOM 659 CB ARG A 39 -3.313 -13.165 3.753 1.00 10.21 C ATOM 660 CG ARG A 39 -2.543 -14.421 3.291 1.00 35.11 C ATOM 661 CD ARG A 39 -1.188 -14.550 3.985 1.00 4.44 C ATOM 662 NE ARG A 39 -0.275 -13.440 3.657 1.00 75.33 N ATOM 663 CZ ARG A 39 0.023 -12.410 4.463 1.00 31.21 C ATOM 664 NH1 ARG A 39 -0.501 -12.326 5.697 1.00 11.30 N ATOM 665 NH2 ARG A 39 0.884 -11.498 4.035 1.00 3.13 N ATOM 0 H ARG A 39 -4.243 -11.753 1.353 1.00 52.40 H new ATOM 0 HA ARG A 39 -5.317 -13.787 3.186 1.00 53.41 H new ATOM 0 HB2 ARG A 39 -2.678 -12.293 3.595 1.00 10.21 H new ATOM 0 HB3 ARG A 39 -3.488 -13.242 4.826 1.00 10.21 H new ATOM 0 HG2 ARG A 39 -3.141 -15.309 3.496 1.00 35.11 H new ATOM 0 HG3 ARG A 39 -2.395 -14.379 2.212 1.00 35.11 H new ATOM 0 HD2 ARG A 39 -1.338 -14.585 5.064 1.00 4.44 H new ATOM 0 HD3 ARG A 39 -0.725 -15.494 3.697 1.00 4.44 H new ATOM 0 HE ARG A 39 0.168 -13.457 2.738 1.00 75.33 H new ATOM 0 HH11 ARG A 39 -1.135 -13.051 6.032 1.00 11.30 H new ATOM 0 HH12 ARG A 39 -0.265 -11.537 6.299 1.00 11.30 H new ATOM 0 HH21 ARG A 39 1.305 -11.588 3.110 1.00 3.13 H new ATOM 0 HH22 ARG A 39 1.126 -10.706 4.630 1.00 3.13 H new ATOM 679 N LEU A 40 -5.641 -11.783 4.991 1.00 53.14 N ATOM 680 CA LEU A 40 -6.326 -10.715 5.741 1.00 21.14 C ATOM 681 C LEU A 40 -5.329 -9.596 6.065 1.00 53.00 C ATOM 682 O LEU A 40 -4.225 -9.866 6.526 1.00 33.34 O ATOM 683 CB LEU A 40 -6.951 -11.276 7.055 1.00 23.33 C ATOM 684 CG LEU A 40 -7.678 -10.232 7.978 1.00 74.42 C ATOM 685 CD1 LEU A 40 -8.872 -9.546 7.260 1.00 11.52 C ATOM 686 CD2 LEU A 40 -8.121 -10.882 9.312 1.00 33.30 C ATOM 0 H LEU A 40 -5.386 -12.589 5.562 1.00 53.14 H new ATOM 0 HA LEU A 40 -7.132 -10.315 5.126 1.00 21.14 H new ATOM 0 HB2 LEU A 40 -7.666 -12.055 6.789 1.00 23.33 H new ATOM 0 HB3 LEU A 40 -6.160 -11.753 7.634 1.00 23.33 H new ATOM 0 HG LEU A 40 -6.956 -9.449 8.208 1.00 74.42 H new ATOM 0 HD11 LEU A 40 -9.343 -8.833 7.937 1.00 11.52 H new ATOM 0 HD12 LEU A 40 -8.512 -9.022 6.375 1.00 11.52 H new ATOM 0 HD13 LEU A 40 -9.601 -10.301 6.964 1.00 11.52 H new ATOM 0 HD21 LEU A 40 -8.621 -10.137 9.931 1.00 33.30 H new ATOM 0 HD22 LEU A 40 -8.808 -11.703 9.106 1.00 33.30 H new ATOM 0 HD23 LEU A 40 -7.246 -11.264 9.839 1.00 33.30 H new ATOM 698 N PHE A 41 -5.716 -8.351 5.780 1.00 35.23 N ATOM 699 CA PHE A 41 -4.959 -7.147 6.170 1.00 53.04 C ATOM 700 C PHE A 41 -5.834 -6.309 7.108 1.00 43.33 C ATOM 701 O PHE A 41 -6.960 -5.943 6.754 1.00 10.23 O ATOM 702 CB PHE A 41 -4.540 -6.320 4.924 1.00 64.12 C ATOM 703 CG PHE A 41 -3.362 -6.907 4.126 1.00 74.30 C ATOM 704 CD1 PHE A 41 -3.488 -8.111 3.428 1.00 70.10 C ATOM 705 CD2 PHE A 41 -2.119 -6.262 4.095 1.00 71.44 C ATOM 706 CE1 PHE A 41 -2.426 -8.639 2.714 1.00 71.55 C ATOM 707 CE2 PHE A 41 -1.058 -6.792 3.380 1.00 31.15 C ATOM 708 CZ PHE A 41 -1.212 -7.983 2.698 1.00 40.51 C ATOM 0 H PHE A 41 -6.572 -8.142 5.267 1.00 35.23 H new ATOM 0 HA PHE A 41 -4.043 -7.443 6.681 1.00 53.04 H new ATOM 0 HB2 PHE A 41 -5.400 -6.228 4.261 1.00 64.12 H new ATOM 0 HB3 PHE A 41 -4.276 -5.313 5.246 1.00 64.12 H new ATOM 0 HD1 PHE A 41 -4.430 -8.639 3.446 1.00 70.10 H new ATOM 0 HD2 PHE A 41 -1.986 -5.337 4.637 1.00 71.44 H new ATOM 0 HE1 PHE A 41 -2.548 -9.564 2.170 1.00 71.55 H new ATOM 0 HE2 PHE A 41 -0.111 -6.274 3.356 1.00 31.15 H new ATOM 0 HZ PHE A 41 -0.380 -8.402 2.151 1.00 40.51 H new ATOM 718 N VAL A 42 -5.317 -6.049 8.310 1.00 71.03 N ATOM 719 CA VAL A 42 -5.996 -5.264 9.351 1.00 35.51 C ATOM 720 C VAL A 42 -5.159 -4.009 9.632 1.00 40.12 C ATOM 721 O VAL A 42 -4.004 -4.114 10.053 1.00 64.11 O ATOM 722 CB VAL A 42 -6.181 -6.129 10.659 1.00 73.15 C ATOM 723 CG1 VAL A 42 -6.681 -5.293 11.856 1.00 31.24 C ATOM 724 CG2 VAL A 42 -7.120 -7.334 10.396 1.00 0.33 C ATOM 0 H VAL A 42 -4.397 -6.383 8.596 1.00 71.03 H new ATOM 0 HA VAL A 42 -6.989 -4.969 9.013 1.00 35.51 H new ATOM 0 HB VAL A 42 -5.195 -6.508 10.929 1.00 73.15 H new ATOM 0 HG11 VAL A 42 -6.791 -5.937 12.729 1.00 31.24 H new ATOM 0 HG12 VAL A 42 -5.961 -4.504 12.075 1.00 31.24 H new ATOM 0 HG13 VAL A 42 -7.645 -4.847 11.611 1.00 31.24 H new ATOM 0 HG21 VAL A 42 -7.232 -7.915 11.312 1.00 0.33 H new ATOM 0 HG22 VAL A 42 -8.096 -6.971 10.075 1.00 0.33 H new ATOM 0 HG23 VAL A 42 -6.693 -7.965 9.616 1.00 0.33 H new ATOM 734 N LEU A 43 -5.741 -2.830 9.387 1.00 14.33 N ATOM 735 CA LEU A 43 -5.057 -1.543 9.551 1.00 45.22 C ATOM 736 C LEU A 43 -5.509 -0.883 10.851 1.00 74.11 C ATOM 737 O LEU A 43 -6.615 -0.365 10.935 1.00 54.23 O ATOM 738 CB LEU A 43 -5.384 -0.625 8.341 1.00 3.34 C ATOM 739 CG LEU A 43 -4.878 0.852 8.423 1.00 71.11 C ATOM 740 CD1 LEU A 43 -3.339 0.925 8.534 1.00 45.32 C ATOM 741 CD2 LEU A 43 -5.414 1.688 7.237 1.00 53.20 C ATOM 0 H LEU A 43 -6.706 -2.742 9.067 1.00 14.33 H new ATOM 0 HA LEU A 43 -3.980 -1.704 9.594 1.00 45.22 H new ATOM 0 HB2 LEU A 43 -4.962 -1.080 7.445 1.00 3.34 H new ATOM 0 HB3 LEU A 43 -6.466 -0.607 8.210 1.00 3.34 H new ATOM 0 HG LEU A 43 -5.277 1.289 9.338 1.00 71.11 H new ATOM 0 HD11 LEU A 43 -3.027 1.968 8.589 1.00 45.32 H new ATOM 0 HD12 LEU A 43 -3.014 0.401 9.433 1.00 45.32 H new ATOM 0 HD13 LEU A 43 -2.888 0.457 7.659 1.00 45.32 H new ATOM 0 HD21 LEU A 43 -5.047 2.711 7.318 1.00 53.20 H new ATOM 0 HD22 LEU A 43 -5.069 1.252 6.299 1.00 53.20 H new ATOM 0 HD23 LEU A 43 -6.504 1.691 7.257 1.00 53.20 H new ATOM 753 N THR A 44 -4.646 -0.914 11.864 1.00 74.34 N ATOM 754 CA THR A 44 -4.828 -0.130 13.094 1.00 62.33 C ATOM 755 C THR A 44 -3.983 1.153 12.985 1.00 13.51 C ATOM 756 O THR A 44 -3.082 1.226 12.136 1.00 34.21 O ATOM 757 CB THR A 44 -4.422 -0.959 14.359 1.00 73.50 C ATOM 758 OG1 THR A 44 -3.011 -1.239 14.362 1.00 73.23 O ATOM 759 CG2 THR A 44 -5.198 -2.289 14.447 1.00 65.21 C ATOM 0 H THR A 44 -3.799 -1.482 11.860 1.00 74.34 H new ATOM 0 HA THR A 44 -5.881 0.130 13.207 1.00 62.33 H new ATOM 0 HB THR A 44 -4.675 -0.348 15.226 1.00 73.50 H new ATOM 0 HG1 THR A 44 -2.705 -1.390 13.443 1.00 73.23 H new ATOM 0 HG21 THR A 44 -4.887 -2.834 15.338 1.00 65.21 H new ATOM 0 HG22 THR A 44 -6.267 -2.084 14.502 1.00 65.21 H new ATOM 0 HG23 THR A 44 -4.989 -2.891 13.563 1.00 65.21 H new ATOM 767 N LYS A 45 -4.256 2.152 13.842 1.00 10.35 N ATOM 768 CA LYS A 45 -3.569 3.467 13.787 1.00 22.44 C ATOM 769 C LYS A 45 -2.077 3.370 14.169 1.00 75.31 C ATOM 770 O LYS A 45 -1.308 4.310 13.929 1.00 63.52 O ATOM 771 CB LYS A 45 -4.293 4.496 14.694 1.00 44.14 C ATOM 772 CG LYS A 45 -5.773 4.736 14.330 1.00 41.00 C ATOM 773 CD LYS A 45 -6.370 5.955 15.067 1.00 22.33 C ATOM 774 CE LYS A 45 -7.811 6.245 14.631 1.00 44.20 C ATOM 775 NZ LYS A 45 -8.364 7.474 15.262 1.00 11.42 N ATOM 0 H LYS A 45 -4.950 2.079 14.586 1.00 10.35 H new ATOM 0 HA LYS A 45 -3.613 3.806 12.752 1.00 22.44 H new ATOM 0 HB2 LYS A 45 -4.236 4.154 15.727 1.00 44.14 H new ATOM 0 HB3 LYS A 45 -3.760 5.446 14.643 1.00 44.14 H new ATOM 0 HG2 LYS A 45 -5.860 4.887 13.254 1.00 41.00 H new ATOM 0 HG3 LYS A 45 -6.354 3.847 14.575 1.00 41.00 H new ATOM 0 HD2 LYS A 45 -6.346 5.775 16.142 1.00 22.33 H new ATOM 0 HD3 LYS A 45 -5.751 6.832 14.877 1.00 22.33 H new ATOM 0 HE2 LYS A 45 -7.844 6.352 13.547 1.00 44.20 H new ATOM 0 HE3 LYS A 45 -8.442 5.394 14.887 1.00 44.20 H new ATOM 0 HZ1 LYS A 45 -9.339 7.624 14.934 1.00 11.42 H new ATOM 0 HZ2 LYS A 45 -8.360 7.365 16.296 1.00 11.42 H new ATOM 0 HZ3 LYS A 45 -7.780 8.293 14.998 1.00 11.42 H new ATOM 789 N SER A 46 -1.680 2.231 14.762 1.00 75.43 N ATOM 790 CA SER A 46 -0.281 1.970 15.130 1.00 31.40 C ATOM 791 C SER A 46 0.426 1.098 14.079 1.00 52.05 C ATOM 792 O SER A 46 1.591 1.343 13.735 1.00 22.31 O ATOM 793 CB SER A 46 -0.234 1.266 16.503 1.00 12.24 C ATOM 794 OG SER A 46 -0.961 1.997 17.480 1.00 4.25 O ATOM 0 H SER A 46 -2.317 1.470 14.998 1.00 75.43 H new ATOM 0 HA SER A 46 0.241 2.926 15.180 1.00 31.40 H new ATOM 0 HB2 SER A 46 -0.648 0.262 16.414 1.00 12.24 H new ATOM 0 HB3 SER A 46 0.802 1.157 16.823 1.00 12.24 H new ATOM 0 HG SER A 46 -0.916 1.528 18.339 1.00 4.25 H new ATOM 800 N MET A 47 -0.300 0.092 13.539 1.00 44.11 N ATOM 801 CA MET A 47 0.301 -1.006 12.731 1.00 41.31 C ATOM 802 C MET A 47 -0.661 -1.498 11.631 1.00 31.32 C ATOM 803 O MET A 47 -1.858 -1.620 11.857 1.00 21.02 O ATOM 804 CB MET A 47 0.668 -2.210 13.664 1.00 54.34 C ATOM 805 CG MET A 47 1.810 -1.951 14.679 1.00 73.23 C ATOM 806 SD MET A 47 1.649 -2.926 16.191 1.00 51.24 S ATOM 807 CE MET A 47 1.542 -4.598 15.567 1.00 45.54 C ATOM 0 H MET A 47 -1.311 0.014 13.647 1.00 44.11 H new ATOM 0 HA MET A 47 1.196 -0.610 12.252 1.00 41.31 H new ATOM 0 HB2 MET A 47 -0.225 -2.503 14.217 1.00 54.34 H new ATOM 0 HB3 MET A 47 0.948 -3.058 13.039 1.00 54.34 H new ATOM 0 HG2 MET A 47 2.766 -2.179 14.207 1.00 73.23 H new ATOM 0 HG3 MET A 47 1.826 -0.892 14.937 1.00 73.23 H new ATOM 0 HE1 MET A 47 0.523 -4.966 15.686 1.00 45.54 H new ATOM 0 HE2 MET A 47 1.811 -4.610 14.511 1.00 45.54 H new ATOM 0 HE3 MET A 47 2.226 -5.238 16.123 1.00 45.54 H new ATOM 817 N LEU A 48 -0.111 -1.789 10.449 1.00 62.15 N ATOM 818 CA LEU A 48 -0.794 -2.550 9.397 1.00 12.20 C ATOM 819 C LEU A 48 -0.328 -4.010 9.530 1.00 21.40 C ATOM 820 O LEU A 48 0.750 -4.380 9.068 1.00 42.41 O ATOM 821 CB LEU A 48 -0.445 -1.955 7.995 1.00 70.13 C ATOM 822 CG LEU A 48 -0.997 -2.715 6.733 1.00 44.14 C ATOM 823 CD1 LEU A 48 -2.542 -2.776 6.728 1.00 24.02 C ATOM 824 CD2 LEU A 48 -0.449 -2.076 5.428 1.00 14.55 C ATOM 0 H LEU A 48 0.833 -1.500 10.192 1.00 62.15 H new ATOM 0 HA LEU A 48 -1.878 -2.496 9.499 1.00 12.20 H new ATOM 0 HB2 LEU A 48 -0.816 -0.931 7.961 1.00 70.13 H new ATOM 0 HB3 LEU A 48 0.641 -1.904 7.910 1.00 70.13 H new ATOM 0 HG LEU A 48 -0.641 -3.744 6.783 1.00 44.14 H new ATOM 0 HD11 LEU A 48 -2.882 -3.309 5.840 1.00 24.02 H new ATOM 0 HD12 LEU A 48 -2.888 -3.298 7.620 1.00 24.02 H new ATOM 0 HD13 LEU A 48 -2.946 -1.764 6.721 1.00 24.02 H new ATOM 0 HD21 LEU A 48 -0.842 -2.615 4.566 1.00 14.55 H new ATOM 0 HD22 LEU A 48 -0.760 -1.032 5.376 1.00 14.55 H new ATOM 0 HD23 LEU A 48 0.640 -2.131 5.425 1.00 14.55 H new ATOM 836 N THR A 49 -1.151 -4.817 10.201 1.00 1.22 N ATOM 837 CA THR A 49 -0.838 -6.208 10.557 1.00 15.20 C ATOM 838 C THR A 49 -1.636 -7.164 9.670 1.00 20.24 C ATOM 839 O THR A 49 -2.871 -7.118 9.655 1.00 15.34 O ATOM 840 CB THR A 49 -1.162 -6.464 12.067 1.00 11.13 C ATOM 841 OG1 THR A 49 -0.362 -5.592 12.881 1.00 54.35 O ATOM 842 CG2 THR A 49 -0.924 -7.929 12.492 1.00 53.25 C ATOM 0 H THR A 49 -2.073 -4.519 10.520 1.00 1.22 H new ATOM 0 HA THR A 49 0.225 -6.386 10.397 1.00 15.20 H new ATOM 0 HB THR A 49 -2.223 -6.258 12.209 1.00 11.13 H new ATOM 0 HG1 THR A 49 -0.936 -5.131 13.528 1.00 54.35 H new ATOM 0 HG21 THR A 49 -1.166 -8.045 13.549 1.00 53.25 H new ATOM 0 HG22 THR A 49 -1.560 -8.587 11.900 1.00 53.25 H new ATOM 0 HG23 THR A 49 0.121 -8.190 12.328 1.00 53.25 H new ATOM 850 N TYR A 50 -0.928 -8.028 8.936 1.00 11.53 N ATOM 851 CA TYR A 50 -1.552 -8.993 8.023 1.00 13.15 C ATOM 852 C TYR A 50 -1.537 -10.410 8.628 1.00 74.41 C ATOM 853 O TYR A 50 -0.498 -10.905 9.073 1.00 2.42 O ATOM 854 CB TYR A 50 -0.872 -8.932 6.623 1.00 21.32 C ATOM 855 CG TYR A 50 0.676 -8.792 6.620 1.00 33.00 C ATOM 856 CD1 TYR A 50 1.510 -9.908 6.718 1.00 71.21 C ATOM 857 CD2 TYR A 50 1.294 -7.538 6.491 1.00 62.42 C ATOM 858 CE1 TYR A 50 2.879 -9.788 6.680 1.00 63.21 C ATOM 859 CE2 TYR A 50 2.673 -7.417 6.466 1.00 12.23 C ATOM 860 CZ TYR A 50 3.456 -8.547 6.557 1.00 5.51 C ATOM 861 OH TYR A 50 4.823 -8.441 6.504 1.00 61.21 O ATOM 0 H TYR A 50 0.091 -8.079 8.957 1.00 11.53 H new ATOM 0 HA TYR A 50 -2.599 -8.725 7.884 1.00 13.15 H new ATOM 0 HB2 TYR A 50 -1.136 -9.836 6.074 1.00 21.32 H new ATOM 0 HB3 TYR A 50 -1.294 -8.091 6.073 1.00 21.32 H new ATOM 0 HD1 TYR A 50 1.069 -10.888 6.826 1.00 71.21 H new ATOM 0 HD2 TYR A 50 0.683 -6.651 6.410 1.00 62.42 H new ATOM 0 HE1 TYR A 50 3.501 -10.669 6.747 1.00 63.21 H new ATOM 0 HE2 TYR A 50 3.132 -6.443 6.376 1.00 12.23 H new ATOM 0 HH TYR A 50 5.075 -7.498 6.415 1.00 61.21 H new ATOM 871 N TYR A 51 -2.716 -11.051 8.617 1.00 44.41 N ATOM 872 CA TYR A 51 -2.940 -12.375 9.222 1.00 14.10 C ATOM 873 C TYR A 51 -3.019 -13.464 8.147 1.00 11.33 C ATOM 874 O TYR A 51 -3.529 -13.240 7.043 1.00 51.42 O ATOM 875 CB TYR A 51 -4.257 -12.353 10.045 1.00 51.42 C ATOM 876 CG TYR A 51 -4.242 -11.368 11.232 1.00 41.11 C ATOM 877 CD1 TYR A 51 -4.466 -9.998 11.042 1.00 33.12 C ATOM 878 CD2 TYR A 51 -3.993 -11.800 12.537 1.00 52.40 C ATOM 879 CE1 TYR A 51 -4.443 -9.108 12.103 1.00 33.22 C ATOM 880 CE2 TYR A 51 -3.970 -10.910 13.598 1.00 41.10 C ATOM 881 CZ TYR A 51 -4.195 -9.565 13.375 1.00 53.31 C ATOM 882 OH TYR A 51 -4.177 -8.678 14.435 1.00 41.54 O ATOM 0 H TYR A 51 -3.552 -10.660 8.182 1.00 44.41 H new ATOM 0 HA TYR A 51 -2.099 -12.603 9.877 1.00 14.10 H new ATOM 0 HB2 TYR A 51 -5.083 -12.094 9.382 1.00 51.42 H new ATOM 0 HB3 TYR A 51 -4.454 -13.357 10.422 1.00 51.42 H new ATOM 0 HD1 TYR A 51 -4.661 -9.628 10.046 1.00 33.12 H new ATOM 0 HD2 TYR A 51 -3.815 -12.849 12.722 1.00 52.40 H new ATOM 0 HE1 TYR A 51 -4.620 -8.057 11.931 1.00 33.22 H new ATOM 0 HE2 TYR A 51 -3.776 -11.267 14.599 1.00 41.10 H new ATOM 0 HH TYR A 51 -3.988 -9.164 15.265 1.00 41.54 H new ATOM 1081 N PHE A 63 4.122 -6.935 10.547 1.00 60.41 N ATOM 1082 CA PHE A 63 3.388 -5.666 10.574 1.00 11.22 C ATOM 1083 C PHE A 63 4.219 -4.566 9.917 1.00 61.31 C ATOM 1084 O PHE A 63 5.438 -4.703 9.760 1.00 31.51 O ATOM 1085 CB PHE A 63 3.008 -5.266 12.029 1.00 44.41 C ATOM 1086 CG PHE A 63 4.199 -5.078 12.988 1.00 64.13 C ATOM 1087 CD1 PHE A 63 4.786 -6.170 13.632 1.00 62.55 C ATOM 1088 CD2 PHE A 63 4.705 -3.807 13.266 1.00 35.02 C ATOM 1089 CE1 PHE A 63 5.841 -5.998 14.508 1.00 73.34 C ATOM 1090 CE2 PHE A 63 5.761 -3.639 14.139 1.00 11.31 C ATOM 1091 CZ PHE A 63 6.324 -4.731 14.764 1.00 40.31 C ATOM 0 HA PHE A 63 2.463 -5.795 10.012 1.00 11.22 H new ATOM 0 HB2 PHE A 63 2.438 -4.338 11.997 1.00 44.41 H new ATOM 0 HB3 PHE A 63 2.349 -6.031 12.439 1.00 44.41 H new ATOM 0 HD1 PHE A 63 4.409 -7.164 13.442 1.00 62.55 H new ATOM 0 HD2 PHE A 63 4.264 -2.943 12.791 1.00 35.02 H new ATOM 0 HE1 PHE A 63 6.287 -6.854 14.992 1.00 73.34 H new ATOM 0 HE2 PHE A 63 6.147 -2.649 14.333 1.00 11.31 H new ATOM 0 HZ PHE A 63 7.143 -4.595 15.454 1.00 40.31 H new ATOM 1101 N ILE A 64 3.545 -3.482 9.539 1.00 72.33 N ATOM 1102 CA ILE A 64 4.179 -2.252 9.056 1.00 42.10 C ATOM 1103 C ILE A 64 3.729 -1.110 9.971 1.00 42.22 C ATOM 1104 O ILE A 64 2.542 -0.829 10.048 1.00 40.21 O ATOM 1105 CB ILE A 64 3.793 -1.940 7.558 1.00 64.34 C ATOM 1106 CG1 ILE A 64 4.249 -3.109 6.622 1.00 15.23 C ATOM 1107 CG2 ILE A 64 4.389 -0.584 7.096 1.00 73.03 C ATOM 1108 CD1 ILE A 64 3.976 -2.886 5.150 1.00 15.24 C ATOM 0 H ILE A 64 2.527 -3.430 9.559 1.00 72.33 H new ATOM 0 HA ILE A 64 5.262 -2.369 9.081 1.00 42.10 H new ATOM 0 HB ILE A 64 2.708 -1.857 7.495 1.00 64.34 H new ATOM 0 HG12 ILE A 64 5.318 -3.269 6.759 1.00 15.23 H new ATOM 0 HG13 ILE A 64 3.747 -4.024 6.936 1.00 15.23 H new ATOM 0 HG21 ILE A 64 4.106 -0.396 6.060 1.00 73.03 H new ATOM 0 HG22 ILE A 64 4.005 0.217 7.728 1.00 73.03 H new ATOM 0 HG23 ILE A 64 5.476 -0.618 7.175 1.00 73.03 H new ATOM 0 HD11 ILE A 64 4.326 -3.747 4.581 1.00 15.24 H new ATOM 0 HD12 ILE A 64 2.905 -2.758 4.994 1.00 15.24 H new ATOM 0 HD13 ILE A 64 4.501 -1.992 4.814 1.00 15.24 H new ATOM 1120 N ASP A 65 4.674 -0.466 10.666 1.00 53.44 N ATOM 1121 CA ASP A 65 4.362 0.657 11.567 1.00 25.00 C ATOM 1122 C ASP A 65 3.835 1.842 10.726 1.00 63.54 C ATOM 1123 O ASP A 65 4.507 2.271 9.779 1.00 71.31 O ATOM 1124 CB ASP A 65 5.616 1.070 12.373 1.00 61.42 C ATOM 1125 CG ASP A 65 6.213 -0.078 13.203 1.00 61.23 C ATOM 1126 OD1 ASP A 65 5.764 -0.294 14.354 1.00 0.30 O ATOM 1127 OD2 ASP A 65 7.148 -0.759 12.714 1.00 54.42 O ATOM 0 H ASP A 65 5.665 -0.702 10.623 1.00 53.44 H new ATOM 0 HA ASP A 65 3.596 0.352 12.280 1.00 25.00 H new ATOM 0 HB2 ASP A 65 6.374 1.444 11.685 1.00 61.42 H new ATOM 0 HB3 ASP A 65 5.356 1.893 13.039 1.00 61.42 H new ATOM 1132 N VAL A 66 2.624 2.335 11.066 1.00 44.34 N ATOM 1133 CA VAL A 66 1.940 3.421 10.330 1.00 21.03 C ATOM 1134 C VAL A 66 2.760 4.731 10.366 1.00 72.30 C ATOM 1135 O VAL A 66 2.814 5.464 9.374 1.00 51.44 O ATOM 1136 CB VAL A 66 0.470 3.626 10.877 1.00 15.12 C ATOM 1137 CG1 VAL A 66 -0.240 4.826 10.207 1.00 14.41 C ATOM 1138 CG2 VAL A 66 -0.355 2.326 10.681 1.00 33.23 C ATOM 0 H VAL A 66 2.091 1.989 11.863 1.00 44.34 H new ATOM 0 HA VAL A 66 1.863 3.127 9.283 1.00 21.03 H new ATOM 0 HB VAL A 66 0.542 3.851 11.941 1.00 15.12 H new ATOM 0 HG11 VAL A 66 -1.246 4.927 10.614 1.00 14.41 H new ATOM 0 HG12 VAL A 66 0.324 5.738 10.402 1.00 14.41 H new ATOM 0 HG13 VAL A 66 -0.299 4.659 9.131 1.00 14.41 H new ATOM 0 HG21 VAL A 66 -1.366 2.476 11.060 1.00 33.23 H new ATOM 0 HG22 VAL A 66 -0.398 2.079 9.620 1.00 33.23 H new ATOM 0 HG23 VAL A 66 0.119 1.509 11.225 1.00 33.23 H new ATOM 1148 N SER A 67 3.455 4.961 11.498 1.00 64.45 N ATOM 1149 CA SER A 67 4.384 6.102 11.670 1.00 43.14 C ATOM 1150 C SER A 67 5.610 6.004 10.739 1.00 2.34 C ATOM 1151 O SER A 67 6.209 7.023 10.379 1.00 11.25 O ATOM 1152 CB SER A 67 4.857 6.192 13.134 1.00 34.32 C ATOM 1153 OG SER A 67 3.761 6.394 14.007 1.00 61.31 O ATOM 0 H SER A 67 3.390 4.362 12.321 1.00 64.45 H new ATOM 0 HA SER A 67 3.832 7.003 11.402 1.00 43.14 H new ATOM 0 HB2 SER A 67 5.381 5.277 13.408 1.00 34.32 H new ATOM 0 HB3 SER A 67 5.568 7.011 13.241 1.00 34.32 H new ATOM 0 HG SER A 67 4.084 6.446 14.931 1.00 61.31 H new ATOM 1159 N LYS A 68 5.975 4.768 10.361 1.00 74.12 N ATOM 1160 CA LYS A 68 7.146 4.503 9.509 1.00 11.31 C ATOM 1161 C LYS A 68 6.767 4.473 8.019 1.00 24.14 C ATOM 1162 O LYS A 68 7.649 4.339 7.166 1.00 5.14 O ATOM 1163 CB LYS A 68 7.829 3.173 9.939 1.00 64.12 C ATOM 1164 CG LYS A 68 8.424 3.200 11.370 1.00 23.05 C ATOM 1165 CD LYS A 68 9.562 4.235 11.536 1.00 11.52 C ATOM 1166 CE LYS A 68 10.817 3.868 10.728 1.00 45.40 C ATOM 1167 NZ LYS A 68 11.804 4.984 10.674 1.00 24.33 N ATOM 0 H LYS A 68 5.468 3.927 10.636 1.00 74.12 H new ATOM 0 HA LYS A 68 7.855 5.320 9.643 1.00 11.31 H new ATOM 0 HB2 LYS A 68 7.099 2.366 9.876 1.00 64.12 H new ATOM 0 HB3 LYS A 68 8.624 2.940 9.231 1.00 64.12 H new ATOM 0 HG2 LYS A 68 7.630 3.424 12.083 1.00 23.05 H new ATOM 0 HG3 LYS A 68 8.804 2.209 11.618 1.00 23.05 H new ATOM 0 HD2 LYS A 68 9.205 5.216 11.221 1.00 11.52 H new ATOM 0 HD3 LYS A 68 9.824 4.315 12.591 1.00 11.52 H new ATOM 0 HE2 LYS A 68 11.288 2.991 11.172 1.00 45.40 H new ATOM 0 HE3 LYS A 68 10.526 3.595 9.714 1.00 45.40 H new ATOM 0 HZ1 LYS A 68 12.066 5.168 9.685 1.00 24.33 H new ATOM 0 HZ2 LYS A 68 11.382 5.841 11.085 1.00 24.33 H new ATOM 0 HZ3 LYS A 68 12.653 4.723 11.214 1.00 24.33 H new ATOM 1181 N ILE A 69 5.456 4.585 7.709 1.00 41.21 N ATOM 1182 CA ILE A 69 4.982 4.698 6.319 1.00 72.25 C ATOM 1183 C ILE A 69 5.246 6.127 5.798 1.00 61.04 C ATOM 1184 O ILE A 69 4.860 7.111 6.441 1.00 11.15 O ATOM 1185 CB ILE A 69 3.461 4.341 6.163 1.00 12.41 C ATOM 1186 CG1 ILE A 69 3.172 2.905 6.697 1.00 33.34 C ATOM 1187 CG2 ILE A 69 3.031 4.463 4.684 1.00 50.44 C ATOM 1188 CD1 ILE A 69 1.710 2.473 6.641 1.00 3.42 C ATOM 0 H ILE A 69 4.711 4.599 8.405 1.00 41.21 H new ATOM 0 HA ILE A 69 5.538 3.972 5.727 1.00 72.25 H new ATOM 0 HB ILE A 69 2.880 5.048 6.756 1.00 12.41 H new ATOM 0 HG12 ILE A 69 3.766 2.195 6.122 1.00 33.34 H new ATOM 0 HG13 ILE A 69 3.513 2.844 7.730 1.00 33.34 H new ATOM 0 HG21 ILE A 69 1.974 4.213 4.590 1.00 50.44 H new ATOM 0 HG22 ILE A 69 3.194 5.485 4.341 1.00 50.44 H new ATOM 0 HG23 ILE A 69 3.621 3.778 4.076 1.00 50.44 H new ATOM 0 HD11 ILE A 69 1.614 1.461 7.034 1.00 3.42 H new ATOM 0 HD12 ILE A 69 1.106 3.154 7.241 1.00 3.42 H new ATOM 0 HD13 ILE A 69 1.363 2.495 5.608 1.00 3.42 H new ATOM 1200 N LYS A 70 5.901 6.209 4.631 1.00 31.24 N ATOM 1201 CA LYS A 70 6.383 7.471 4.039 1.00 64.31 C ATOM 1202 C LYS A 70 5.464 7.974 2.912 1.00 71.20 C ATOM 1203 O LYS A 70 5.472 9.157 2.595 1.00 21.34 O ATOM 1204 CB LYS A 70 7.807 7.253 3.489 1.00 34.32 C ATOM 1205 CG LYS A 70 8.789 6.597 4.488 1.00 62.44 C ATOM 1206 CD LYS A 70 10.234 6.526 3.941 1.00 50.03 C ATOM 1207 CE LYS A 70 10.338 5.772 2.600 1.00 72.42 C ATOM 1208 NZ LYS A 70 11.734 5.750 2.080 1.00 33.11 N ATOM 0 H LYS A 70 6.115 5.390 4.062 1.00 31.24 H new ATOM 0 HA LYS A 70 6.384 8.232 4.820 1.00 64.31 H new ATOM 0 HB2 LYS A 70 7.746 6.630 2.597 1.00 34.32 H new ATOM 0 HB3 LYS A 70 8.214 8.215 3.179 1.00 34.32 H new ATOM 0 HG2 LYS A 70 8.785 7.162 5.420 1.00 62.44 H new ATOM 0 HG3 LYS A 70 8.444 5.590 4.724 1.00 62.44 H new ATOM 0 HD2 LYS A 70 10.617 7.538 3.812 1.00 50.03 H new ATOM 0 HD3 LYS A 70 10.871 6.035 4.677 1.00 50.03 H new ATOM 0 HE2 LYS A 70 9.983 4.750 2.730 1.00 72.42 H new ATOM 0 HE3 LYS A 70 9.685 6.245 1.866 1.00 72.42 H new ATOM 0 HZ1 LYS A 70 11.921 4.833 1.626 1.00 33.11 H new ATOM 0 HZ2 LYS A 70 11.857 6.513 1.384 1.00 33.11 H new ATOM 0 HZ3 LYS A 70 12.400 5.888 2.867 1.00 33.11 H new ATOM 1222 N CYS A 71 4.688 7.064 2.314 1.00 32.31 N ATOM 1223 CA CYS A 71 3.802 7.368 1.171 1.00 54.22 C ATOM 1224 C CYS A 71 2.799 6.222 0.990 1.00 31.14 C ATOM 1225 O CYS A 71 3.167 5.058 1.124 1.00 34.42 O ATOM 1226 CB CYS A 71 4.602 7.551 -0.159 1.00 42.52 C ATOM 1227 SG CYS A 71 5.822 8.887 -0.177 1.00 42.34 S ATOM 0 H CYS A 71 4.652 6.088 2.607 1.00 32.31 H new ATOM 0 HA CYS A 71 3.289 8.305 1.390 1.00 54.22 H new ATOM 0 HB2 CYS A 71 5.115 6.615 -0.382 1.00 42.52 H new ATOM 0 HB3 CYS A 71 3.890 7.725 -0.966 1.00 42.52 H new ATOM 0 HG CYS A 71 5.964 9.361 1.025 1.00 42.34 H new ATOM 1233 N VAL A 72 1.520 6.557 0.731 1.00 55.32 N ATOM 1234 CA VAL A 72 0.517 5.587 0.241 1.00 74.11 C ATOM 1235 C VAL A 72 -0.299 6.229 -0.881 1.00 11.32 C ATOM 1236 O VAL A 72 -1.005 7.231 -0.664 1.00 21.13 O ATOM 1237 CB VAL A 72 -0.480 5.053 1.340 1.00 74.41 C ATOM 1238 CG1 VAL A 72 -1.507 4.086 0.697 1.00 41.25 C ATOM 1239 CG2 VAL A 72 0.272 4.347 2.482 1.00 45.15 C ATOM 0 H VAL A 72 1.153 7.501 0.854 1.00 55.32 H new ATOM 0 HA VAL A 72 1.088 4.724 -0.103 1.00 74.11 H new ATOM 0 HB VAL A 72 -1.007 5.908 1.765 1.00 74.41 H new ATOM 0 HG11 VAL A 72 -2.192 3.721 1.462 1.00 41.25 H new ATOM 0 HG12 VAL A 72 -2.070 4.613 -0.073 1.00 41.25 H new ATOM 0 HG13 VAL A 72 -0.982 3.243 0.249 1.00 41.25 H new ATOM 0 HG21 VAL A 72 -0.443 3.991 3.223 1.00 45.15 H new ATOM 0 HG22 VAL A 72 0.831 3.501 2.081 1.00 45.15 H new ATOM 0 HG23 VAL A 72 0.962 5.048 2.952 1.00 45.15 H new ATOM 1249 N GLU A 73 -0.210 5.624 -2.065 1.00 13.43 N ATOM 1250 CA GLU A 73 -0.974 6.039 -3.231 1.00 64.40 C ATOM 1251 C GLU A 73 -1.290 4.803 -4.077 1.00 51.54 C ATOM 1252 O GLU A 73 -0.740 3.725 -3.838 1.00 35.13 O ATOM 1253 CB GLU A 73 -0.186 7.120 -4.038 1.00 63.52 C ATOM 1254 CG GLU A 73 -1.040 7.924 -5.039 1.00 33.15 C ATOM 1255 CD GLU A 73 -2.297 8.541 -4.388 1.00 24.03 C ATOM 1256 OE1 GLU A 73 -2.166 9.552 -3.664 1.00 24.31 O ATOM 1257 OE2 GLU A 73 -3.416 8.001 -4.576 1.00 23.00 O ATOM 0 H GLU A 73 0.401 4.826 -2.239 1.00 13.43 H new ATOM 0 HA GLU A 73 -1.915 6.497 -2.925 1.00 64.40 H new ATOM 0 HB2 GLU A 73 0.276 7.814 -3.335 1.00 63.52 H new ATOM 0 HB3 GLU A 73 0.623 6.631 -4.581 1.00 63.52 H new ATOM 0 HG2 GLU A 73 -0.433 8.719 -5.472 1.00 33.15 H new ATOM 0 HG3 GLU A 73 -1.343 7.272 -5.858 1.00 33.15 H new ATOM 1264 N ILE A 74 -2.209 4.950 -5.038 1.00 2.43 N ATOM 1265 CA ILE A 74 -2.505 3.897 -6.022 1.00 54.23 C ATOM 1266 C ILE A 74 -1.302 3.682 -6.963 1.00 24.41 C ATOM 1267 O ILE A 74 -0.396 4.535 -7.040 1.00 21.54 O ATOM 1268 CB ILE A 74 -3.835 4.234 -6.809 1.00 61.11 C ATOM 1269 CG1 ILE A 74 -3.795 5.640 -7.530 1.00 3.41 C ATOM 1270 CG2 ILE A 74 -5.036 4.170 -5.833 1.00 25.02 C ATOM 1271 CD1 ILE A 74 -3.101 5.680 -8.891 1.00 10.31 C ATOM 0 H ILE A 74 -2.767 5.796 -5.157 1.00 2.43 H new ATOM 0 HA ILE A 74 -2.672 2.956 -5.499 1.00 54.23 H new ATOM 0 HB ILE A 74 -3.942 3.489 -7.597 1.00 61.11 H new ATOM 0 HG12 ILE A 74 -4.820 5.989 -7.657 1.00 3.41 H new ATOM 0 HG13 ILE A 74 -3.296 6.350 -6.870 1.00 3.41 H new ATOM 0 HG21 ILE A 74 -5.955 4.402 -6.371 1.00 25.02 H new ATOM 0 HG22 ILE A 74 -5.107 3.169 -5.408 1.00 25.02 H new ATOM 0 HG23 ILE A 74 -4.893 4.895 -5.031 1.00 25.02 H new ATOM 0 HD11 ILE A 74 -3.136 6.695 -9.288 1.00 10.31 H new ATOM 0 HD12 ILE A 74 -2.062 5.370 -8.779 1.00 10.31 H new ATOM 0 HD13 ILE A 74 -3.609 5.004 -9.579 1.00 10.31 H new ATOM 1283 N VAL A 75 -1.290 2.552 -7.678 1.00 5.51 N ATOM 1284 CA VAL A 75 -0.217 2.242 -8.637 1.00 13.40 C ATOM 1285 C VAL A 75 -0.709 2.590 -10.041 1.00 53.21 C ATOM 1286 O VAL A 75 -1.734 2.061 -10.488 1.00 41.52 O ATOM 1287 CB VAL A 75 0.216 0.730 -8.604 1.00 25.11 C ATOM 1288 CG1 VAL A 75 1.462 0.478 -9.492 1.00 23.10 C ATOM 1289 CG2 VAL A 75 0.452 0.255 -7.161 1.00 31.30 C ATOM 0 H VAL A 75 -2.011 1.834 -7.613 1.00 5.51 H new ATOM 0 HA VAL A 75 0.657 2.831 -8.359 1.00 13.40 H new ATOM 0 HB VAL A 75 -0.603 0.142 -9.018 1.00 25.11 H new ATOM 0 HG11 VAL A 75 1.734 -0.576 -9.446 1.00 23.10 H new ATOM 0 HG12 VAL A 75 1.235 0.750 -10.523 1.00 23.10 H new ATOM 0 HG13 VAL A 75 2.294 1.083 -9.132 1.00 23.10 H new ATOM 0 HG21 VAL A 75 0.750 -0.793 -7.167 1.00 31.30 H new ATOM 0 HG22 VAL A 75 1.241 0.854 -6.705 1.00 31.30 H new ATOM 0 HG23 VAL A 75 -0.467 0.367 -6.586 1.00 31.30 H new ATOM 1299 N LYS A 76 0.011 3.494 -10.716 1.00 40.32 N ATOM 1300 CA LYS A 76 -0.243 3.823 -12.115 1.00 41.53 C ATOM 1301 C LYS A 76 0.296 2.672 -12.976 1.00 14.02 C ATOM 1302 O LYS A 76 1.511 2.556 -13.168 1.00 73.54 O ATOM 1303 CB LYS A 76 0.415 5.173 -12.496 1.00 24.13 C ATOM 1304 CG LYS A 76 -0.053 6.363 -11.627 1.00 55.20 C ATOM 1305 CD LYS A 76 0.508 7.717 -12.114 1.00 40.23 C ATOM 1306 CE LYS A 76 -0.007 8.114 -13.508 1.00 70.42 C ATOM 1307 NZ LYS A 76 -1.495 8.223 -13.547 1.00 34.41 N ATOM 0 H LYS A 76 0.785 4.015 -10.304 1.00 40.32 H new ATOM 0 HA LYS A 76 -1.313 3.940 -12.286 1.00 41.53 H new ATOM 0 HB2 LYS A 76 1.497 5.076 -12.410 1.00 24.13 H new ATOM 0 HB3 LYS A 76 0.197 5.391 -13.541 1.00 24.13 H new ATOM 0 HG2 LYS A 76 -1.142 6.404 -11.631 1.00 55.20 H new ATOM 0 HG3 LYS A 76 0.256 6.197 -10.595 1.00 55.20 H new ATOM 0 HD2 LYS A 76 0.239 8.494 -11.398 1.00 40.23 H new ATOM 0 HD3 LYS A 76 1.597 7.666 -12.136 1.00 40.23 H new ATOM 0 HE2 LYS A 76 0.434 9.068 -13.799 1.00 70.42 H new ATOM 0 HE3 LYS A 76 0.321 7.375 -14.239 1.00 70.42 H new ATOM 0 HZ1 LYS A 76 -1.789 8.637 -14.454 1.00 34.41 H new ATOM 0 HZ2 LYS A 76 -1.915 7.277 -13.446 1.00 34.41 H new ATOM 0 HZ3 LYS A 76 -1.819 8.831 -12.768 1.00 34.41 H new ATOM 1382 N ILE A 82 -2.031 -5.929 -15.277 1.00 44.23 N ATOM 1383 CA ILE A 82 -2.048 -6.284 -13.857 1.00 4.14 C ATOM 1384 C ILE A 82 -1.847 -7.811 -13.738 1.00 34.31 C ATOM 1385 O ILE A 82 -2.700 -8.571 -14.194 1.00 72.41 O ATOM 1386 CB ILE A 82 -3.387 -5.832 -13.154 1.00 14.11 C ATOM 1387 CG1 ILE A 82 -3.596 -4.285 -13.306 1.00 2.45 C ATOM 1388 CG2 ILE A 82 -3.422 -6.247 -11.658 1.00 43.35 C ATOM 1389 CD1 ILE A 82 -2.480 -3.418 -12.723 1.00 51.21 C ATOM 0 HA ILE A 82 -1.241 -5.759 -13.346 1.00 4.14 H new ATOM 0 HB ILE A 82 -4.209 -6.345 -13.654 1.00 14.11 H new ATOM 0 HG12 ILE A 82 -3.701 -4.051 -14.365 1.00 2.45 H new ATOM 0 HG13 ILE A 82 -4.535 -4.012 -12.825 1.00 2.45 H new ATOM 0 HG21 ILE A 82 -4.360 -5.917 -11.211 1.00 43.35 H new ATOM 0 HG22 ILE A 82 -3.344 -7.331 -11.579 1.00 43.35 H new ATOM 0 HG23 ILE A 82 -2.587 -5.784 -11.132 1.00 43.35 H new ATOM 0 HD11 ILE A 82 -2.718 -2.366 -12.878 1.00 51.21 H new ATOM 0 HD12 ILE A 82 -2.386 -3.615 -11.655 1.00 51.21 H new ATOM 0 HD13 ILE A 82 -1.539 -3.654 -13.219 1.00 51.21 H new ATOM 1401 N PRO A 83 -0.709 -8.281 -13.142 1.00 60.25 N ATOM 1402 CA PRO A 83 -0.403 -9.723 -13.012 1.00 52.33 C ATOM 1403 C PRO A 83 -1.074 -10.346 -11.768 1.00 42.13 C ATOM 1404 O PRO A 83 -0.411 -10.972 -10.926 1.00 72.41 O ATOM 1405 CB PRO A 83 1.137 -9.708 -12.898 1.00 15.22 C ATOM 1406 CG PRO A 83 1.468 -8.420 -12.199 1.00 22.24 C ATOM 1407 CD PRO A 83 0.369 -7.438 -12.543 1.00 32.23 C ATOM 0 HA PRO A 83 -0.775 -10.329 -13.838 1.00 52.33 H new ATOM 0 HB2 PRO A 83 1.498 -10.567 -12.333 1.00 15.22 H new ATOM 0 HB3 PRO A 83 1.605 -9.754 -13.881 1.00 15.22 H new ATOM 0 HG2 PRO A 83 1.528 -8.570 -11.121 1.00 22.24 H new ATOM 0 HG3 PRO A 83 2.438 -8.043 -12.523 1.00 22.24 H new ATOM 0 HD2 PRO A 83 0.015 -6.911 -11.657 1.00 32.23 H new ATOM 0 HD3 PRO A 83 0.718 -6.681 -13.245 1.00 32.23 H new ATOM 1415 N CYS A 84 -2.408 -10.201 -11.694 1.00 61.20 N ATOM 1416 CA CYS A 84 -3.191 -10.548 -10.505 1.00 32.41 C ATOM 1417 C CYS A 84 -4.694 -10.467 -10.809 1.00 73.11 C ATOM 1418 O CYS A 84 -5.128 -9.619 -11.603 1.00 21.33 O ATOM 1419 CB CYS A 84 -2.836 -9.588 -9.357 1.00 0.13 C ATOM 1420 SG CYS A 84 -3.715 -9.894 -7.827 1.00 11.21 S ATOM 0 H CYS A 84 -2.972 -9.838 -12.463 1.00 61.20 H new ATOM 0 HA CYS A 84 -2.952 -11.570 -10.211 1.00 32.41 H new ATOM 0 HB2 CYS A 84 -1.765 -9.654 -9.164 1.00 0.13 H new ATOM 0 HB3 CYS A 84 -3.040 -8.567 -9.679 1.00 0.13 H new ATOM 0 HG CYS A 84 -4.354 -11.023 -7.912 1.00 11.21 H new ATOM 1426 N GLN A 85 -5.477 -11.360 -10.168 1.00 64.02 N ATOM 1427 CA GLN A 85 -6.956 -11.381 -10.272 1.00 52.34 C ATOM 1428 C GLN A 85 -7.566 -10.062 -9.744 1.00 62.11 C ATOM 1429 O GLN A 85 -8.538 -9.547 -10.300 1.00 20.11 O ATOM 1430 CB GLN A 85 -7.532 -12.602 -9.490 1.00 11.20 C ATOM 1431 CG GLN A 85 -7.128 -12.659 -7.995 1.00 4.32 C ATOM 1432 CD GLN A 85 -7.688 -13.858 -7.230 1.00 62.20 C ATOM 1433 OE1 GLN A 85 -6.987 -14.282 -6.195 1.00 12.05 O flip ATOM 1434 NE2 GLN A 85 -8.755 -14.378 -7.550 1.00 63.11 N flip ATOM 0 H GLN A 85 -5.103 -12.090 -9.562 1.00 64.02 H new ATOM 0 HA GLN A 85 -7.225 -11.479 -11.324 1.00 52.34 H new ATOM 0 HB2 GLN A 85 -8.620 -12.580 -9.558 1.00 11.20 H new ATOM 0 HB3 GLN A 85 -7.200 -13.519 -9.978 1.00 11.20 H new ATOM 0 HG2 GLN A 85 -6.040 -12.677 -7.927 1.00 4.32 H new ATOM 0 HG3 GLN A 85 -7.463 -11.744 -7.506 1.00 4.32 H new ATOM 0 HE21 GLN A 85 -9.272 -14.026 -8.356 1.00 63.11 H new ATOM 0 HE22 GLN A 85 -9.123 -15.161 -7.010 1.00 63.11 H new ATOM 1443 N ASN A 86 -6.944 -9.527 -8.691 1.00 64.20 N ATOM 1444 CA ASN A 86 -7.335 -8.273 -8.025 1.00 74.31 C ATOM 1445 C ASN A 86 -6.906 -7.068 -8.890 1.00 35.54 C ATOM 1446 O ASN A 86 -5.712 -6.917 -9.197 1.00 31.13 O ATOM 1447 CB ASN A 86 -6.672 -8.238 -6.617 1.00 63.43 C ATOM 1448 CG ASN A 86 -7.302 -9.219 -5.616 1.00 71.31 C ATOM 1449 OD1 ASN A 86 -7.919 -10.211 -5.990 1.00 33.11 O ATOM 1450 ND2 ASN A 86 -7.136 -8.963 -4.329 1.00 4.32 N ATOM 0 H ASN A 86 -6.129 -9.965 -8.262 1.00 64.20 H new ATOM 0 HA ASN A 86 -8.417 -8.219 -7.905 1.00 74.31 H new ATOM 0 HB2 ASN A 86 -5.611 -8.467 -6.718 1.00 63.43 H new ATOM 0 HB3 ASN A 86 -6.743 -7.227 -6.216 1.00 63.43 H new ATOM 0 HD21 ASN A 86 -7.524 -9.595 -3.629 1.00 4.32 H new ATOM 0 HD22 ASN A 86 -6.620 -8.133 -4.036 1.00 4.32 H new ATOM 1457 N LYS A 87 -7.888 -6.226 -9.281 1.00 23.12 N ATOM 1458 CA LYS A 87 -7.685 -5.115 -10.239 1.00 51.35 C ATOM 1459 C LYS A 87 -7.515 -3.774 -9.516 1.00 64.35 C ATOM 1460 O LYS A 87 -8.198 -3.507 -8.513 1.00 24.14 O ATOM 1461 CB LYS A 87 -8.875 -5.046 -11.245 1.00 14.15 C ATOM 1462 CG LYS A 87 -8.968 -6.268 -12.180 1.00 63.33 C ATOM 1463 CD LYS A 87 -7.723 -6.408 -13.086 1.00 34.31 C ATOM 1464 CE LYS A 87 -7.720 -7.717 -13.877 1.00 3.42 C ATOM 1465 NZ LYS A 87 -7.645 -8.906 -12.986 1.00 51.33 N ATOM 0 H LYS A 87 -8.847 -6.297 -8.940 1.00 23.12 H new ATOM 0 HA LYS A 87 -6.766 -5.312 -10.791 1.00 51.35 H new ATOM 0 HB2 LYS A 87 -9.807 -4.955 -10.686 1.00 14.15 H new ATOM 0 HB3 LYS A 87 -8.777 -4.144 -11.849 1.00 14.15 H new ATOM 0 HG2 LYS A 87 -9.084 -7.172 -11.582 1.00 63.33 H new ATOM 0 HG3 LYS A 87 -9.859 -6.181 -12.801 1.00 63.33 H new ATOM 0 HD2 LYS A 87 -7.686 -5.568 -13.779 1.00 34.31 H new ATOM 0 HD3 LYS A 87 -6.823 -6.355 -12.473 1.00 34.31 H new ATOM 0 HE2 LYS A 87 -8.623 -7.776 -14.485 1.00 3.42 H new ATOM 0 HE3 LYS A 87 -6.873 -7.724 -14.563 1.00 3.42 H new ATOM 0 HZ1 LYS A 87 -7.697 -9.773 -13.559 1.00 51.33 H new ATOM 0 HZ2 LYS A 87 -6.747 -8.891 -12.461 1.00 51.33 H new ATOM 0 HZ3 LYS A 87 -8.439 -8.887 -12.314 1.00 51.33 H new ATOM 1479 N TYR A 88 -6.629 -2.927 -10.095 1.00 14.40 N ATOM 1480 CA TYR A 88 -6.239 -1.617 -9.546 1.00 10.11 C ATOM 1481 C TYR A 88 -5.562 -1.761 -8.155 1.00 15.32 C ATOM 1482 O TYR A 88 -6.219 -1.631 -7.106 1.00 2.04 O ATOM 1483 CB TYR A 88 -7.437 -0.632 -9.492 1.00 71.34 C ATOM 1484 CG TYR A 88 -7.959 -0.166 -10.867 1.00 15.22 C ATOM 1485 CD1 TYR A 88 -7.373 0.925 -11.528 1.00 31.21 C ATOM 1486 CD2 TYR A 88 -9.039 -0.794 -11.488 1.00 31.23 C ATOM 1487 CE1 TYR A 88 -7.836 1.356 -12.755 1.00 0.52 C ATOM 1488 CE2 TYR A 88 -9.505 -0.360 -12.714 1.00 21.42 C ATOM 1489 CZ TYR A 88 -8.906 0.718 -13.342 1.00 64.30 C ATOM 1490 OH TYR A 88 -9.380 1.152 -14.565 1.00 31.02 O ATOM 0 H TYR A 88 -6.160 -3.145 -10.974 1.00 14.40 H new ATOM 0 HA TYR A 88 -5.503 -1.192 -10.228 1.00 10.11 H new ATOM 0 HB2 TYR A 88 -8.255 -1.108 -8.951 1.00 71.34 H new ATOM 0 HB3 TYR A 88 -7.142 0.245 -8.916 1.00 71.34 H new ATOM 0 HD1 TYR A 88 -6.542 1.438 -11.067 1.00 31.21 H new ATOM 0 HD2 TYR A 88 -9.518 -1.632 -11.003 1.00 31.23 H new ATOM 0 HE1 TYR A 88 -7.362 2.189 -13.252 1.00 0.52 H new ATOM 0 HE2 TYR A 88 -10.338 -0.863 -13.183 1.00 21.42 H new ATOM 0 HH TYR A 88 -10.137 0.594 -14.839 1.00 31.02 H new ATOM 1500 N PRO A 89 -4.231 -2.072 -8.125 1.00 32.53 N ATOM 1501 CA PRO A 89 -3.462 -2.165 -6.870 1.00 12.32 C ATOM 1502 C PRO A 89 -3.130 -0.789 -6.278 1.00 44.14 C ATOM 1503 O PRO A 89 -3.148 0.237 -6.974 1.00 22.14 O ATOM 1504 CB PRO A 89 -2.168 -2.889 -7.304 1.00 40.43 C ATOM 1505 CG PRO A 89 -1.982 -2.503 -8.735 1.00 55.22 C ATOM 1506 CD PRO A 89 -3.377 -2.377 -9.308 1.00 13.42 C ATOM 0 HA PRO A 89 -4.020 -2.680 -6.088 1.00 12.32 H new ATOM 0 HB2 PRO A 89 -1.318 -2.580 -6.696 1.00 40.43 H new ATOM 0 HB3 PRO A 89 -2.262 -3.969 -7.194 1.00 40.43 H new ATOM 0 HG2 PRO A 89 -1.437 -1.563 -8.820 1.00 55.22 H new ATOM 0 HG3 PRO A 89 -1.404 -3.255 -9.272 1.00 55.22 H new ATOM 0 HD2 PRO A 89 -3.431 -1.584 -10.054 1.00 13.42 H new ATOM 0 HD3 PRO A 89 -3.691 -3.298 -9.799 1.00 13.42 H new ATOM 1514 N PHE A 90 -2.829 -0.784 -4.983 1.00 1.02 N ATOM 1515 CA PHE A 90 -2.273 0.378 -4.295 1.00 55.21 C ATOM 1516 C PHE A 90 -0.945 -0.009 -3.637 1.00 45.04 C ATOM 1517 O PHE A 90 -0.775 -1.134 -3.158 1.00 12.22 O ATOM 1518 CB PHE A 90 -3.276 0.939 -3.266 1.00 54.11 C ATOM 1519 CG PHE A 90 -3.639 0.014 -2.091 1.00 53.12 C ATOM 1520 CD1 PHE A 90 -4.598 -0.990 -2.237 1.00 31.01 C ATOM 1521 CD2 PHE A 90 -3.027 0.161 -0.839 1.00 74.44 C ATOM 1522 CE1 PHE A 90 -4.934 -1.812 -1.177 1.00 2.20 C ATOM 1523 CE2 PHE A 90 -3.363 -0.664 0.215 1.00 5.15 C ATOM 1524 CZ PHE A 90 -4.316 -1.648 0.048 1.00 72.34 C ATOM 0 H PHE A 90 -2.965 -1.592 -4.376 1.00 1.02 H new ATOM 0 HA PHE A 90 -2.083 1.170 -5.019 1.00 55.21 H new ATOM 0 HB2 PHE A 90 -2.867 1.864 -2.859 1.00 54.11 H new ATOM 0 HB3 PHE A 90 -4.194 1.201 -3.791 1.00 54.11 H new ATOM 0 HD1 PHE A 90 -5.084 -1.127 -3.192 1.00 31.01 H new ATOM 0 HD2 PHE A 90 -2.282 0.930 -0.697 1.00 74.44 H new ATOM 0 HE1 PHE A 90 -5.680 -2.582 -1.307 1.00 2.20 H new ATOM 0 HE2 PHE A 90 -2.879 -0.539 1.172 1.00 5.15 H new ATOM 0 HZ PHE A 90 -4.579 -2.290 0.875 1.00 72.34 H new ATOM 1534 N GLN A 91 -0.003 0.930 -3.637 1.00 43.22 N ATOM 1535 CA GLN A 91 1.336 0.732 -3.065 1.00 3.25 C ATOM 1536 C GLN A 91 1.472 1.462 -1.723 1.00 54.40 C ATOM 1537 O GLN A 91 0.992 2.595 -1.555 1.00 75.14 O ATOM 1538 CB GLN A 91 2.412 1.208 -4.073 1.00 34.21 C ATOM 1539 CG GLN A 91 2.191 2.629 -4.640 1.00 22.20 C ATOM 1540 CD GLN A 91 3.225 3.038 -5.685 1.00 24.14 C ATOM 1541 OE1 GLN A 91 4.394 2.671 -5.589 1.00 1.22 O ATOM 1542 NE2 GLN A 91 2.796 3.763 -6.707 1.00 44.35 N ATOM 0 H GLN A 91 -0.143 1.858 -4.036 1.00 43.22 H new ATOM 0 HA GLN A 91 1.484 -0.331 -2.874 1.00 3.25 H new ATOM 0 HB2 GLN A 91 3.386 1.175 -3.585 1.00 34.21 H new ATOM 0 HB3 GLN A 91 2.448 0.503 -4.904 1.00 34.21 H new ATOM 0 HG2 GLN A 91 1.197 2.683 -5.084 1.00 22.20 H new ATOM 0 HG3 GLN A 91 2.213 3.346 -3.819 1.00 22.20 H new ATOM 0 HE21 GLN A 91 1.818 4.050 -6.754 1.00 44.35 H new ATOM 0 HE22 GLN A 91 3.443 4.034 -7.447 1.00 44.35 H new ATOM 1551 N VAL A 92 2.134 0.790 -0.772 1.00 34.44 N ATOM 1552 CA VAL A 92 2.459 1.348 0.533 1.00 21.10 C ATOM 1553 C VAL A 92 3.982 1.477 0.593 1.00 15.55 C ATOM 1554 O VAL A 92 4.690 0.482 0.792 1.00 62.55 O ATOM 1555 CB VAL A 92 1.923 0.432 1.704 1.00 24.34 C ATOM 1556 CG1 VAL A 92 2.323 0.990 3.090 1.00 33.41 C ATOM 1557 CG2 VAL A 92 0.388 0.242 1.598 1.00 53.21 C ATOM 0 H VAL A 92 2.460 -0.169 -0.896 1.00 34.44 H new ATOM 0 HA VAL A 92 1.980 2.319 0.661 1.00 21.10 H new ATOM 0 HB VAL A 92 2.392 -0.546 1.600 1.00 24.34 H new ATOM 0 HG11 VAL A 92 1.938 0.335 3.871 1.00 33.41 H new ATOM 0 HG12 VAL A 92 3.409 1.041 3.162 1.00 33.41 H new ATOM 0 HG13 VAL A 92 1.904 1.989 3.215 1.00 33.41 H new ATOM 0 HG21 VAL A 92 0.043 -0.392 2.415 1.00 53.21 H new ATOM 0 HG22 VAL A 92 -0.104 1.213 1.659 1.00 53.21 H new ATOM 0 HG23 VAL A 92 0.145 -0.229 0.645 1.00 53.21 H new ATOM 1567 N VAL A 93 4.485 2.696 0.377 1.00 21.52 N ATOM 1568 CA VAL A 93 5.912 2.983 0.462 1.00 71.45 C ATOM 1569 C VAL A 93 6.222 3.303 1.927 1.00 40.11 C ATOM 1570 O VAL A 93 5.926 4.396 2.403 1.00 35.12 O ATOM 1571 CB VAL A 93 6.350 4.193 -0.453 1.00 33.42 C ATOM 1572 CG1 VAL A 93 7.891 4.271 -0.572 1.00 41.42 C ATOM 1573 CG2 VAL A 93 5.674 4.141 -1.845 1.00 25.33 C ATOM 0 H VAL A 93 3.913 3.506 0.139 1.00 21.52 H new ATOM 0 HA VAL A 93 6.468 2.115 0.107 1.00 71.45 H new ATOM 0 HB VAL A 93 6.006 5.107 0.031 1.00 33.42 H new ATOM 0 HG11 VAL A 93 8.165 5.113 -1.208 1.00 41.42 H new ATOM 0 HG12 VAL A 93 8.326 4.407 0.418 1.00 41.42 H new ATOM 0 HG13 VAL A 93 8.269 3.348 -1.010 1.00 41.42 H new ATOM 0 HG21 VAL A 93 6.003 4.992 -2.441 1.00 25.33 H new ATOM 0 HG22 VAL A 93 5.951 3.215 -2.349 1.00 25.33 H new ATOM 0 HG23 VAL A 93 4.591 4.179 -1.725 1.00 25.33 H new ATOM 1583 N HIS A 94 6.757 2.313 2.643 1.00 55.52 N ATOM 1584 CA HIS A 94 7.176 2.458 4.052 1.00 53.42 C ATOM 1585 C HIS A 94 8.695 2.664 4.106 1.00 12.23 C ATOM 1586 O HIS A 94 9.338 2.721 3.055 1.00 53.12 O ATOM 1587 CB HIS A 94 6.709 1.239 4.904 1.00 24.01 C ATOM 1588 CG HIS A 94 7.038 -0.141 4.354 1.00 52.20 C ATOM 1589 ND1 HIS A 94 6.640 -0.772 3.213 1.00 1.34 N flip ATOM 1590 CD2 HIS A 94 7.793 -1.070 5.041 1.00 71.35 C flip ATOM 1591 CE1 HIS A 94 7.159 -2.041 3.241 1.00 4.32 C flip ATOM 1592 NE2 HIS A 94 7.846 -2.196 4.352 1.00 45.13 N flip ATOM 0 H HIS A 94 6.916 1.379 2.266 1.00 55.52 H new ATOM 0 HA HIS A 94 6.698 3.334 4.489 1.00 53.42 H new ATOM 0 HB2 HIS A 94 7.153 1.326 5.895 1.00 24.01 H new ATOM 0 HB3 HIS A 94 5.629 1.306 5.032 1.00 24.01 H new ATOM 0 HD1 HIS A 94 6.062 -0.373 2.473 1.00 1.34 H new ATOM 0 HD2 HIS A 94 8.268 -0.902 5.996 1.00 71.35 H new ATOM 0 HE1 HIS A 94 7.025 -2.791 2.476 1.00 4.32 H new ATOM 1601 N ASP A 95 9.248 2.792 5.331 1.00 51.41 N ATOM 1602 CA ASP A 95 10.685 3.106 5.562 1.00 64.42 C ATOM 1603 C ASP A 95 11.617 2.091 4.858 1.00 42.12 C ATOM 1604 O ASP A 95 12.702 2.444 4.386 1.00 25.32 O ATOM 1605 CB ASP A 95 10.965 3.155 7.085 1.00 43.34 C ATOM 1606 CG ASP A 95 12.333 3.770 7.454 1.00 5.05 C ATOM 1607 OD1 ASP A 95 12.407 5.009 7.629 1.00 74.40 O ATOM 1608 OD2 ASP A 95 13.325 3.022 7.609 1.00 72.25 O ATOM 0 H ASP A 95 8.714 2.681 6.193 1.00 51.41 H new ATOM 0 HA ASP A 95 10.898 4.082 5.126 1.00 64.42 H new ATOM 0 HB2 ASP A 95 10.177 3.731 7.570 1.00 43.34 H new ATOM 0 HB3 ASP A 95 10.913 2.143 7.486 1.00 43.34 H new ATOM 1613 N ALA A 96 11.151 0.832 4.779 1.00 72.31 N ATOM 1614 CA ALA A 96 11.837 -0.257 4.061 1.00 10.43 C ATOM 1615 C ALA A 96 11.452 -0.252 2.559 1.00 73.02 C ATOM 1616 O ALA A 96 11.028 0.781 2.024 1.00 13.55 O ATOM 1617 CB ALA A 96 11.471 -1.586 4.736 1.00 13.40 C ATOM 0 H ALA A 96 10.278 0.539 5.217 1.00 72.31 H new ATOM 0 HA ALA A 96 12.917 -0.117 4.108 1.00 10.43 H new ATOM 0 HB1 ALA A 96 11.969 -2.406 4.219 1.00 13.40 H new ATOM 0 HB2 ALA A 96 11.792 -1.566 5.778 1.00 13.40 H new ATOM 0 HB3 ALA A 96 10.392 -1.732 4.692 1.00 13.40 H new ATOM 1623 N ASN A 97 11.618 -1.409 1.877 1.00 45.13 N ATOM 1624 CA ASN A 97 11.287 -1.548 0.441 1.00 21.24 C ATOM 1625 C ASN A 97 9.771 -1.389 0.202 1.00 54.52 C ATOM 1626 O ASN A 97 8.962 -1.730 1.072 1.00 74.34 O ATOM 1627 CB ASN A 97 11.800 -2.911 -0.104 1.00 41.30 C ATOM 1628 CG ASN A 97 13.337 -3.008 -0.239 1.00 54.52 C ATOM 1629 OD1 ASN A 97 14.099 -2.304 0.605 1.00 32.25 O flip ATOM 1630 ND2 ASN A 97 13.837 -3.716 -1.114 1.00 62.22 N flip ATOM 0 H ASN A 97 11.981 -2.263 2.301 1.00 45.13 H new ATOM 0 HA ASN A 97 11.791 -0.750 -0.105 1.00 21.24 H new ATOM 0 HB2 ASN A 97 11.455 -3.706 0.557 1.00 41.30 H new ATOM 0 HB3 ASN A 97 11.350 -3.091 -1.080 1.00 41.30 H new ATOM 0 HD21 ASN A 97 13.237 -4.245 -1.747 1.00 62.22 H new ATOM 0 HD22 ASN A 97 14.851 -3.774 -1.206 1.00 62.22 H new ATOM 1637 N THR A 98 9.412 -0.889 -0.992 1.00 3.45 N ATOM 1638 CA THR A 98 8.030 -0.509 -1.337 1.00 31.43 C ATOM 1639 C THR A 98 7.121 -1.745 -1.495 1.00 55.21 C ATOM 1640 O THR A 98 7.418 -2.651 -2.287 1.00 32.30 O ATOM 1641 CB THR A 98 8.017 0.329 -2.659 1.00 21.34 C ATOM 1642 OG1 THR A 98 8.908 1.449 -2.522 1.00 33.43 O ATOM 1643 CG2 THR A 98 6.604 0.829 -3.023 1.00 22.21 C ATOM 0 H THR A 98 10.076 -0.736 -1.751 1.00 3.45 H new ATOM 0 HA THR A 98 7.639 0.093 -0.517 1.00 31.43 H new ATOM 0 HB THR A 98 8.348 -0.323 -3.467 1.00 21.34 H new ATOM 0 HG1 THR A 98 8.903 1.974 -3.349 1.00 33.43 H new ATOM 0 HG21 THR A 98 6.649 1.405 -3.947 1.00 22.21 H new ATOM 0 HG22 THR A 98 5.940 -0.025 -3.159 1.00 22.21 H new ATOM 0 HG23 THR A 98 6.224 1.461 -2.220 1.00 22.21 H new ATOM 1651 N LEU A 99 6.012 -1.760 -0.732 1.00 2.53 N ATOM 1652 CA LEU A 99 5.022 -2.845 -0.768 1.00 55.02 C ATOM 1653 C LEU A 99 3.970 -2.565 -1.848 1.00 64.33 C ATOM 1654 O LEU A 99 3.585 -1.419 -2.052 1.00 3.04 O ATOM 1655 CB LEU A 99 4.356 -3.017 0.621 1.00 70.42 C ATOM 1656 CG LEU A 99 3.351 -4.209 0.751 1.00 1.34 C ATOM 1657 CD1 LEU A 99 4.027 -5.558 0.447 1.00 33.11 C ATOM 1658 CD2 LEU A 99 2.677 -4.230 2.137 1.00 50.21 C ATOM 0 H LEU A 99 5.780 -1.017 -0.073 1.00 2.53 H new ATOM 0 HA LEU A 99 5.530 -3.777 -1.017 1.00 55.02 H new ATOM 0 HB2 LEU A 99 5.141 -3.145 1.366 1.00 70.42 H new ATOM 0 HB3 LEU A 99 3.830 -2.095 0.868 1.00 70.42 H new ATOM 0 HG LEU A 99 2.573 -4.054 0.004 1.00 1.34 H new ATOM 0 HD11 LEU A 99 3.297 -6.361 0.548 1.00 33.11 H new ATOM 0 HD12 LEU A 99 4.418 -5.548 -0.570 1.00 33.11 H new ATOM 0 HD13 LEU A 99 4.845 -5.721 1.148 1.00 33.11 H new ATOM 0 HD21 LEU A 99 1.985 -5.071 2.193 1.00 50.21 H new ATOM 0 HD22 LEU A 99 3.438 -4.335 2.910 1.00 50.21 H new ATOM 0 HD23 LEU A 99 2.130 -3.300 2.290 1.00 50.21 H new ATOM 1670 N TYR A 100 3.528 -3.620 -2.551 1.00 22.12 N ATOM 1671 CA TYR A 100 2.491 -3.521 -3.594 1.00 24.33 C ATOM 1672 C TYR A 100 1.335 -4.452 -3.241 1.00 35.33 C ATOM 1673 O TYR A 100 1.433 -5.669 -3.406 1.00 23.01 O ATOM 1674 CB TYR A 100 3.092 -3.847 -4.991 1.00 43.45 C ATOM 1675 CG TYR A 100 3.942 -2.691 -5.530 1.00 14.41 C ATOM 1676 CD1 TYR A 100 3.361 -1.689 -6.305 1.00 53.33 C ATOM 1677 CD2 TYR A 100 5.291 -2.559 -5.200 1.00 74.31 C ATOM 1678 CE1 TYR A 100 4.087 -0.601 -6.728 1.00 70.14 C ATOM 1679 CE2 TYR A 100 6.018 -1.475 -5.636 1.00 35.44 C ATOM 1680 CZ TYR A 100 5.411 -0.499 -6.392 1.00 34.43 C ATOM 1681 OH TYR A 100 6.134 0.599 -6.792 1.00 62.24 O ATOM 0 H TYR A 100 3.879 -4.568 -2.413 1.00 22.12 H new ATOM 0 HA TYR A 100 2.109 -2.501 -3.641 1.00 24.33 H new ATOM 0 HB2 TYR A 100 3.704 -4.746 -4.922 1.00 43.45 H new ATOM 0 HB3 TYR A 100 2.286 -4.063 -5.692 1.00 43.45 H new ATOM 0 HD1 TYR A 100 2.319 -1.769 -6.579 1.00 53.33 H new ATOM 0 HD2 TYR A 100 5.770 -3.316 -4.596 1.00 74.31 H new ATOM 0 HE1 TYR A 100 3.616 0.169 -7.322 1.00 70.14 H new ATOM 0 HE2 TYR A 100 7.065 -1.390 -5.385 1.00 35.44 H new ATOM 0 HH TYR A 100 5.753 0.958 -7.620 1.00 62.24 H new ATOM 1691 N ILE A 101 0.252 -3.856 -2.738 1.00 22.23 N ATOM 1692 CA ILE A 101 -0.947 -4.580 -2.321 1.00 62.10 C ATOM 1693 C ILE A 101 -2.024 -4.463 -3.416 1.00 73.12 C ATOM 1694 O ILE A 101 -2.526 -3.370 -3.674 1.00 70.45 O ATOM 1695 CB ILE A 101 -1.518 -4.020 -0.970 1.00 54.43 C ATOM 1696 CG1 ILE A 101 -0.425 -3.969 0.139 1.00 60.22 C ATOM 1697 CG2 ILE A 101 -2.715 -4.867 -0.510 1.00 64.43 C ATOM 1698 CD1 ILE A 101 -0.895 -3.408 1.475 1.00 63.24 C ATOM 0 H ILE A 101 0.184 -2.847 -2.608 1.00 22.23 H new ATOM 0 HA ILE A 101 -0.674 -5.624 -2.168 1.00 62.10 H new ATOM 0 HB ILE A 101 -1.853 -2.998 -1.146 1.00 54.43 H new ATOM 0 HG12 ILE A 101 -0.042 -4.977 0.299 1.00 60.22 H new ATOM 0 HG13 ILE A 101 0.408 -3.365 -0.220 1.00 60.22 H new ATOM 0 HG21 ILE A 101 -3.103 -4.470 0.428 1.00 64.43 H new ATOM 0 HG22 ILE A 101 -3.497 -4.835 -1.269 1.00 64.43 H new ATOM 0 HG23 ILE A 101 -2.395 -5.899 -0.362 1.00 64.43 H new ATOM 0 HD11 ILE A 101 -0.066 -3.412 2.183 1.00 63.24 H new ATOM 0 HD12 ILE A 101 -1.249 -2.386 1.336 1.00 63.24 H new ATOM 0 HD13 ILE A 101 -1.707 -4.024 1.863 1.00 63.24 H new ATOM 1710 N PHE A 102 -2.368 -5.585 -4.053 1.00 13.13 N ATOM 1711 CA PHE A 102 -3.421 -5.643 -5.072 1.00 33.53 C ATOM 1712 C PHE A 102 -4.803 -5.712 -4.392 1.00 60.31 C ATOM 1713 O PHE A 102 -5.115 -6.687 -3.686 1.00 43.31 O ATOM 1714 CB PHE A 102 -3.170 -6.851 -6.016 1.00 14.20 C ATOM 1715 CG PHE A 102 -1.876 -6.720 -6.842 1.00 12.14 C ATOM 1716 CD1 PHE A 102 -0.620 -6.875 -6.247 1.00 65.20 C ATOM 1717 CD2 PHE A 102 -1.918 -6.409 -8.202 1.00 1.21 C ATOM 1718 CE1 PHE A 102 0.537 -6.727 -6.987 1.00 44.32 C ATOM 1719 CE2 PHE A 102 -0.755 -6.261 -8.939 1.00 62.22 C ATOM 1720 CZ PHE A 102 0.472 -6.420 -8.331 1.00 32.12 C ATOM 0 H PHE A 102 -1.921 -6.485 -3.876 1.00 13.13 H new ATOM 0 HA PHE A 102 -3.402 -4.740 -5.682 1.00 33.53 H new ATOM 0 HB2 PHE A 102 -3.123 -7.764 -5.422 1.00 14.20 H new ATOM 0 HB3 PHE A 102 -4.017 -6.955 -6.694 1.00 14.20 H new ATOM 0 HD1 PHE A 102 -0.554 -7.113 -5.196 1.00 65.20 H new ATOM 0 HD2 PHE A 102 -2.874 -6.282 -8.688 1.00 1.21 H new ATOM 0 HE1 PHE A 102 1.498 -6.852 -6.511 1.00 44.32 H new ATOM 0 HE2 PHE A 102 -0.809 -6.021 -9.991 1.00 62.22 H new ATOM 0 HZ PHE A 102 1.380 -6.305 -8.905 1.00 32.12 H new ATOM 1730 N ALA A 103 -5.606 -4.650 -4.588 1.00 23.20 N ATOM 1731 CA ALA A 103 -6.956 -4.539 -4.025 1.00 24.20 C ATOM 1732 C ALA A 103 -7.954 -5.270 -4.944 1.00 61.35 C ATOM 1733 O ALA A 103 -7.844 -5.136 -6.165 1.00 52.52 O ATOM 1734 CB ALA A 103 -7.341 -3.066 -3.869 1.00 22.12 C ATOM 0 H ALA A 103 -5.331 -3.842 -5.146 1.00 23.20 H new ATOM 0 HA ALA A 103 -6.980 -5.002 -3.039 1.00 24.20 H new ATOM 0 HB1 ALA A 103 -8.345 -2.995 -3.450 1.00 22.12 H new ATOM 0 HB2 ALA A 103 -6.634 -2.574 -3.202 1.00 22.12 H new ATOM 0 HB3 ALA A 103 -7.319 -2.579 -4.844 1.00 22.12 H new ATOM 1740 N PRO A 104 -8.940 -6.053 -4.382 1.00 52.04 N ATOM 1741 CA PRO A 104 -9.909 -6.830 -5.197 1.00 65.21 C ATOM 1742 C PRO A 104 -10.703 -5.957 -6.179 1.00 51.14 C ATOM 1743 O PRO A 104 -10.948 -6.355 -7.325 1.00 61.14 O ATOM 1744 CB PRO A 104 -10.845 -7.472 -4.140 1.00 43.13 C ATOM 1745 CG PRO A 104 -10.045 -7.485 -2.874 1.00 32.41 C ATOM 1746 CD PRO A 104 -9.187 -6.244 -2.927 1.00 12.10 C ATOM 0 HA PRO A 104 -9.405 -7.559 -5.832 1.00 65.21 H new ATOM 0 HB2 PRO A 104 -11.762 -6.895 -4.022 1.00 43.13 H new ATOM 0 HB3 PRO A 104 -11.138 -8.480 -4.432 1.00 43.13 H new ATOM 0 HG2 PRO A 104 -10.695 -7.476 -1.999 1.00 32.41 H new ATOM 0 HG3 PRO A 104 -9.432 -8.384 -2.806 1.00 32.41 H new ATOM 0 HD2 PRO A 104 -9.697 -5.385 -2.490 1.00 12.10 H new ATOM 0 HD3 PRO A 104 -8.256 -6.376 -2.376 1.00 12.10 H new ATOM 1754 N SER A 105 -11.068 -4.753 -5.718 1.00 32.30 N ATOM 1755 CA SER A 105 -11.935 -3.838 -6.459 1.00 20.30 C ATOM 1756 C SER A 105 -11.345 -2.407 -6.495 1.00 74.44 C ATOM 1757 O SER A 105 -10.618 -1.999 -5.568 1.00 54.45 O ATOM 1758 CB SER A 105 -13.341 -3.852 -5.809 1.00 43.24 C ATOM 1759 OG SER A 105 -13.853 -5.175 -5.720 1.00 41.14 O ATOM 0 H SER A 105 -10.766 -4.388 -4.815 1.00 32.30 H new ATOM 0 HA SER A 105 -12.011 -4.170 -7.494 1.00 20.30 H new ATOM 0 HB2 SER A 105 -13.289 -3.412 -4.813 1.00 43.24 H new ATOM 0 HB3 SER A 105 -14.022 -3.234 -6.395 1.00 43.24 H new ATOM 0 HG SER A 105 -14.740 -5.155 -5.305 1.00 41.14 H new ATOM 1765 N PRO A 106 -11.660 -1.611 -7.581 1.00 64.34 N ATOM 1766 CA PRO A 106 -11.309 -0.165 -7.675 1.00 5.52 C ATOM 1767 C PRO A 106 -11.930 0.719 -6.564 1.00 52.12 C ATOM 1768 O PRO A 106 -11.567 1.893 -6.435 1.00 24.02 O ATOM 1769 CB PRO A 106 -11.843 0.240 -9.080 1.00 14.00 C ATOM 1770 CG PRO A 106 -12.839 -0.811 -9.445 1.00 50.43 C ATOM 1771 CD PRO A 106 -12.305 -2.082 -8.843 1.00 71.43 C ATOM 0 HA PRO A 106 -10.238 -0.013 -7.541 1.00 5.52 H new ATOM 0 HB2 PRO A 106 -12.305 1.227 -9.055 1.00 14.00 H new ATOM 0 HB3 PRO A 106 -11.034 0.285 -9.809 1.00 14.00 H new ATOM 0 HG2 PRO A 106 -13.827 -0.572 -9.050 1.00 50.43 H new ATOM 0 HG3 PRO A 106 -12.941 -0.899 -10.527 1.00 50.43 H new ATOM 0 HD2 PRO A 106 -13.101 -2.801 -8.646 1.00 71.43 H new ATOM 0 HD3 PRO A 106 -11.590 -2.572 -9.503 1.00 71.43 H new ATOM 1779 N GLN A 107 -12.860 0.151 -5.776 1.00 4.20 N ATOM 1780 CA GLN A 107 -13.422 0.828 -4.592 1.00 32.30 C ATOM 1781 C GLN A 107 -12.516 0.580 -3.374 1.00 33.34 C ATOM 1782 O GLN A 107 -12.273 1.488 -2.563 1.00 32.12 O ATOM 1783 CB GLN A 107 -14.876 0.355 -4.312 1.00 21.33 C ATOM 1784 CG GLN A 107 -15.032 -1.157 -4.045 1.00 52.24 C ATOM 1785 CD GLN A 107 -16.453 -1.584 -3.684 1.00 63.21 C ATOM 1786 OE1 GLN A 107 -16.820 -1.597 -2.511 1.00 1.44 O ATOM 1787 NE2 GLN A 107 -17.248 -1.937 -4.683 1.00 74.11 N ATOM 0 H GLN A 107 -13.241 -0.781 -5.939 1.00 4.20 H new ATOM 0 HA GLN A 107 -13.462 1.899 -4.788 1.00 32.30 H new ATOM 0 HB2 GLN A 107 -15.260 0.902 -3.451 1.00 21.33 H new ATOM 0 HB3 GLN A 107 -15.500 0.624 -5.164 1.00 21.33 H new ATOM 0 HG2 GLN A 107 -14.713 -1.706 -4.931 1.00 52.24 H new ATOM 0 HG3 GLN A 107 -14.361 -1.443 -3.235 1.00 52.24 H new ATOM 0 HE21 GLN A 107 -16.903 -1.912 -5.643 1.00 74.11 H new ATOM 0 HE22 GLN A 107 -18.205 -2.234 -4.493 1.00 74.11 H new ATOM 1796 N SER A 108 -12.001 -0.672 -3.279 1.00 63.52 N ATOM 1797 CA SER A 108 -11.157 -1.125 -2.172 1.00 23.51 C ATOM 1798 C SER A 108 -9.858 -0.320 -2.129 1.00 52.53 C ATOM 1799 O SER A 108 -9.470 0.160 -1.058 1.00 62.01 O ATOM 1800 CB SER A 108 -10.863 -2.638 -2.316 1.00 12.04 C ATOM 1801 OG SER A 108 -12.054 -3.368 -2.540 1.00 51.41 O ATOM 0 H SER A 108 -12.168 -1.393 -3.981 1.00 63.52 H new ATOM 0 HA SER A 108 -11.687 -0.963 -1.233 1.00 23.51 H new ATOM 0 HB2 SER A 108 -10.172 -2.800 -3.143 1.00 12.04 H new ATOM 0 HB3 SER A 108 -10.372 -3.004 -1.414 1.00 12.04 H new ATOM 0 HG SER A 108 -11.842 -4.321 -2.629 1.00 51.41 H new ATOM 1807 N ARG A 109 -9.208 -0.151 -3.316 1.00 41.31 N ATOM 1808 CA ARG A 109 -7.958 0.640 -3.442 1.00 5.13 C ATOM 1809 C ARG A 109 -8.111 2.051 -2.828 1.00 63.34 C ATOM 1810 O ARG A 109 -7.235 2.511 -2.100 1.00 23.21 O ATOM 1811 CB ARG A 109 -7.488 0.773 -4.931 1.00 14.13 C ATOM 1812 CG ARG A 109 -8.350 1.737 -5.793 1.00 31.12 C ATOM 1813 CD ARG A 109 -7.760 2.086 -7.166 1.00 51.34 C ATOM 1814 NE ARG A 109 -8.349 3.332 -7.695 1.00 61.54 N ATOM 1815 CZ ARG A 109 -9.159 3.446 -8.762 1.00 75.11 C ATOM 1816 NH1 ARG A 109 -9.520 2.383 -9.464 1.00 2.32 N ATOM 1817 NH2 ARG A 109 -9.628 4.640 -9.089 1.00 35.23 N ATOM 0 H ARG A 109 -9.532 -0.553 -4.195 1.00 41.31 H new ATOM 0 HA ARG A 109 -7.198 0.089 -2.887 1.00 5.13 H new ATOM 0 HB2 ARG A 109 -6.455 1.120 -4.943 1.00 14.13 H new ATOM 0 HB3 ARG A 109 -7.498 -0.215 -5.392 1.00 14.13 H new ATOM 0 HG2 ARG A 109 -9.332 1.288 -5.940 1.00 31.12 H new ATOM 0 HG3 ARG A 109 -8.502 2.661 -5.235 1.00 31.12 H new ATOM 0 HD2 ARG A 109 -6.679 2.197 -7.083 1.00 51.34 H new ATOM 0 HD3 ARG A 109 -7.944 1.268 -7.863 1.00 51.34 H new ATOM 0 HE ARG A 109 -8.118 4.194 -7.201 1.00 61.54 H new ATOM 0 HH11 ARG A 109 -9.183 1.458 -9.198 1.00 2.32 H new ATOM 0 HH12 ARG A 109 -10.135 2.489 -10.271 1.00 2.32 H new ATOM 0 HH21 ARG A 109 -9.374 5.457 -8.534 1.00 35.23 H new ATOM 0 HH22 ARG A 109 -10.244 4.743 -9.896 1.00 35.23 H new ATOM 1831 N ASP A 110 -9.267 2.697 -3.096 1.00 33.23 N ATOM 1832 CA ASP A 110 -9.477 4.113 -2.799 1.00 43.11 C ATOM 1833 C ASP A 110 -9.655 4.323 -1.305 1.00 55.51 C ATOM 1834 O ASP A 110 -9.053 5.235 -0.733 1.00 4.03 O ATOM 1835 CB ASP A 110 -10.704 4.653 -3.570 1.00 52.10 C ATOM 1836 CG ASP A 110 -10.991 6.147 -3.279 1.00 34.41 C ATOM 1837 OD1 ASP A 110 -10.220 7.007 -3.757 1.00 31.20 O ATOM 1838 OD2 ASP A 110 -11.978 6.467 -2.570 1.00 24.23 O ATOM 0 H ASP A 110 -10.074 2.243 -3.524 1.00 33.23 H new ATOM 0 HA ASP A 110 -8.595 4.666 -3.123 1.00 43.11 H new ATOM 0 HB2 ASP A 110 -10.541 4.522 -4.640 1.00 52.10 H new ATOM 0 HB3 ASP A 110 -11.581 4.062 -3.306 1.00 52.10 H new ATOM 1843 N LEU A 111 -10.467 3.456 -0.684 1.00 2.42 N ATOM 1844 CA LEU A 111 -10.768 3.542 0.749 1.00 61.41 C ATOM 1845 C LEU A 111 -9.503 3.272 1.585 1.00 42.03 C ATOM 1846 O LEU A 111 -9.224 4.003 2.535 1.00 2.24 O ATOM 1847 CB LEU A 111 -11.916 2.565 1.130 1.00 31.24 C ATOM 1848 CG LEU A 111 -12.509 2.732 2.571 1.00 42.51 C ATOM 1849 CD1 LEU A 111 -13.034 4.172 2.807 1.00 22.42 C ATOM 1850 CD2 LEU A 111 -13.618 1.679 2.841 1.00 1.24 C ATOM 0 H LEU A 111 -10.930 2.681 -1.158 1.00 2.42 H new ATOM 0 HA LEU A 111 -11.106 4.554 0.971 1.00 61.41 H new ATOM 0 HB2 LEU A 111 -12.725 2.687 0.409 1.00 31.24 H new ATOM 0 HB3 LEU A 111 -11.548 1.544 1.026 1.00 31.24 H new ATOM 0 HG LEU A 111 -11.701 2.560 3.282 1.00 42.51 H new ATOM 0 HD11 LEU A 111 -13.438 4.251 3.816 1.00 22.42 H new ATOM 0 HD12 LEU A 111 -12.216 4.882 2.687 1.00 22.42 H new ATOM 0 HD13 LEU A 111 -13.818 4.397 2.084 1.00 22.42 H new ATOM 0 HD21 LEU A 111 -14.013 1.817 3.848 1.00 1.24 H new ATOM 0 HD22 LEU A 111 -14.422 1.803 2.116 1.00 1.24 H new ATOM 0 HD23 LEU A 111 -13.198 0.677 2.750 1.00 1.24 H new ATOM 1862 N TRP A 112 -8.729 2.248 1.188 1.00 62.51 N ATOM 1863 CA TRP A 112 -7.448 1.912 1.840 1.00 72.11 C ATOM 1864 C TRP A 112 -6.416 3.057 1.733 1.00 43.41 C ATOM 1865 O TRP A 112 -5.865 3.467 2.753 1.00 35.54 O ATOM 1866 CB TRP A 112 -6.874 0.586 1.269 1.00 62.43 C ATOM 1867 CG TRP A 112 -7.462 -0.651 1.913 1.00 70.40 C ATOM 1868 CD1 TRP A 112 -8.541 -1.378 1.500 1.00 65.03 C ATOM 1869 CD2 TRP A 112 -6.987 -1.290 3.106 1.00 65.04 C ATOM 1870 NE1 TRP A 112 -8.779 -2.404 2.371 1.00 53.25 N ATOM 1871 CE2 TRP A 112 -7.833 -2.381 3.361 1.00 53.52 C ATOM 1872 CE3 TRP A 112 -5.922 -1.045 3.976 1.00 11.20 C ATOM 1873 CZ2 TRP A 112 -7.659 -3.217 4.462 1.00 71.34 C ATOM 1874 CZ3 TRP A 112 -5.748 -1.878 5.062 1.00 23.43 C ATOM 1875 CH2 TRP A 112 -6.611 -2.956 5.296 1.00 42.24 C ATOM 0 H TRP A 112 -8.970 1.632 0.411 1.00 62.51 H new ATOM 0 HA TRP A 112 -7.653 1.773 2.901 1.00 72.11 H new ATOM 0 HB2 TRP A 112 -7.060 0.551 0.196 1.00 62.43 H new ATOM 0 HB3 TRP A 112 -5.793 0.578 1.406 1.00 62.43 H new ATOM 0 HD1 TRP A 112 -9.122 -1.172 0.613 1.00 65.03 H new ATOM 0 HE1 TRP A 112 -9.540 -3.079 2.296 1.00 53.25 H new ATOM 0 HE3 TRP A 112 -5.248 -0.219 3.802 1.00 11.20 H new ATOM 0 HZ2 TRP A 112 -8.330 -4.042 4.649 1.00 71.34 H new ATOM 0 HZ3 TRP A 112 -4.931 -1.695 5.744 1.00 23.43 H new ATOM 0 HH2 TRP A 112 -6.444 -3.592 6.152 1.00 42.24 H new ATOM 1886 N VAL A 113 -6.177 3.573 0.508 1.00 24.02 N ATOM 1887 CA VAL A 113 -5.213 4.680 0.278 1.00 54.44 C ATOM 1888 C VAL A 113 -5.610 5.933 1.075 1.00 0.10 C ATOM 1889 O VAL A 113 -4.749 6.592 1.674 1.00 73.11 O ATOM 1890 CB VAL A 113 -5.095 5.046 -1.252 1.00 10.50 C ATOM 1891 CG1 VAL A 113 -4.294 6.348 -1.497 1.00 51.23 C ATOM 1892 CG2 VAL A 113 -4.458 3.896 -2.038 1.00 41.30 C ATOM 0 H VAL A 113 -6.637 3.243 -0.340 1.00 24.02 H new ATOM 0 HA VAL A 113 -4.241 4.327 0.624 1.00 54.44 H new ATOM 0 HB VAL A 113 -6.112 5.214 -1.606 1.00 10.50 H new ATOM 0 HG11 VAL A 113 -4.246 6.550 -2.567 1.00 51.23 H new ATOM 0 HG12 VAL A 113 -4.788 7.179 -0.993 1.00 51.23 H new ATOM 0 HG13 VAL A 113 -3.284 6.233 -1.103 1.00 51.23 H new ATOM 0 HG21 VAL A 113 -4.387 4.170 -3.090 1.00 41.30 H new ATOM 0 HG22 VAL A 113 -3.461 3.696 -1.647 1.00 41.30 H new ATOM 0 HG23 VAL A 113 -5.073 3.002 -1.937 1.00 41.30 H new ATOM 1902 N LYS A 114 -6.915 6.225 1.078 1.00 62.24 N ATOM 1903 CA LYS A 114 -7.489 7.404 1.736 1.00 11.11 C ATOM 1904 C LYS A 114 -7.272 7.365 3.252 1.00 11.13 C ATOM 1905 O LYS A 114 -6.703 8.303 3.809 1.00 42.33 O ATOM 1906 CB LYS A 114 -8.984 7.490 1.381 1.00 52.44 C ATOM 1907 CG LYS A 114 -9.725 8.735 1.903 1.00 50.14 C ATOM 1908 CD LYS A 114 -11.113 8.889 1.235 1.00 12.23 C ATOM 1909 CE LYS A 114 -11.017 9.143 -0.289 1.00 34.21 C ATOM 1910 NZ LYS A 114 -12.356 9.208 -0.943 1.00 71.04 N ATOM 0 H LYS A 114 -7.612 5.641 0.617 1.00 62.24 H new ATOM 0 HA LYS A 114 -6.981 8.299 1.377 1.00 11.11 H new ATOM 0 HB2 LYS A 114 -9.083 7.460 0.296 1.00 52.44 H new ATOM 0 HB3 LYS A 114 -9.483 6.603 1.772 1.00 52.44 H new ATOM 0 HG2 LYS A 114 -9.846 8.661 2.984 1.00 50.14 H new ATOM 0 HG3 LYS A 114 -9.126 9.625 1.709 1.00 50.14 H new ATOM 0 HD2 LYS A 114 -11.699 7.988 1.413 1.00 12.23 H new ATOM 0 HD3 LYS A 114 -11.648 9.715 1.704 1.00 12.23 H new ATOM 0 HE2 LYS A 114 -10.484 10.078 -0.465 1.00 34.21 H new ATOM 0 HE3 LYS A 114 -10.429 8.349 -0.750 1.00 34.21 H new ATOM 0 HZ1 LYS A 114 -12.484 8.377 -1.554 1.00 71.04 H new ATOM 0 HZ2 LYS A 114 -13.098 9.220 -0.214 1.00 71.04 H new ATOM 0 HZ3 LYS A 114 -12.420 10.073 -1.517 1.00 71.04 H new ATOM 1924 N LYS A 115 -7.695 6.260 3.893 1.00 64.55 N ATOM 1925 CA LYS A 115 -7.484 6.046 5.338 1.00 22.15 C ATOM 1926 C LYS A 115 -5.987 6.161 5.701 1.00 10.14 C ATOM 1927 O LYS A 115 -5.626 6.887 6.626 1.00 42.42 O ATOM 1928 CB LYS A 115 -8.031 4.660 5.781 1.00 24.21 C ATOM 1929 CG LYS A 115 -9.563 4.483 5.663 1.00 32.13 C ATOM 1930 CD LYS A 115 -10.351 5.518 6.498 1.00 55.41 C ATOM 1931 CE LYS A 115 -11.872 5.309 6.423 1.00 45.52 C ATOM 1932 NZ LYS A 115 -12.610 6.305 7.253 1.00 64.20 N ATOM 0 H LYS A 115 -8.188 5.497 3.430 1.00 64.55 H new ATOM 0 HA LYS A 115 -8.033 6.824 5.869 1.00 22.15 H new ATOM 0 HB2 LYS A 115 -7.546 3.889 5.183 1.00 24.21 H new ATOM 0 HB3 LYS A 115 -7.741 4.488 6.818 1.00 24.21 H new ATOM 0 HG2 LYS A 115 -9.855 4.569 4.616 1.00 32.13 H new ATOM 0 HG3 LYS A 115 -9.834 3.478 5.988 1.00 32.13 H new ATOM 0 HD2 LYS A 115 -10.031 5.458 7.538 1.00 55.41 H new ATOM 0 HD3 LYS A 115 -10.109 6.521 6.147 1.00 55.41 H new ATOM 0 HE2 LYS A 115 -12.199 5.387 5.386 1.00 45.52 H new ATOM 0 HE3 LYS A 115 -12.118 4.302 6.760 1.00 45.52 H new ATOM 0 HZ1 LYS A 115 -13.633 6.131 7.176 1.00 64.20 H new ATOM 0 HZ2 LYS A 115 -12.317 6.214 8.247 1.00 64.20 H new ATOM 0 HZ3 LYS A 115 -12.396 7.265 6.915 1.00 64.20 H new ATOM 1946 N LEU A 116 -5.139 5.482 4.908 1.00 72.24 N ATOM 1947 CA LEU A 116 -3.681 5.445 5.111 1.00 54.12 C ATOM 1948 C LEU A 116 -3.045 6.856 5.063 1.00 1.14 C ATOM 1949 O LEU A 116 -2.382 7.242 6.029 1.00 14.33 O ATOM 1950 CB LEU A 116 -3.032 4.456 4.090 1.00 12.03 C ATOM 1951 CG LEU A 116 -3.061 2.935 4.502 1.00 2.40 C ATOM 1952 CD1 LEU A 116 -2.815 1.992 3.297 1.00 54.11 C ATOM 1953 CD2 LEU A 116 -2.034 2.665 5.620 1.00 12.11 C ATOM 0 H LEU A 116 -5.450 4.939 4.102 1.00 72.24 H new ATOM 0 HA LEU A 116 -3.480 5.074 6.116 1.00 54.12 H new ATOM 0 HB2 LEU A 116 -3.542 4.564 3.133 1.00 12.03 H new ATOM 0 HB3 LEU A 116 -1.995 4.752 3.934 1.00 12.03 H new ATOM 0 HG LEU A 116 -4.062 2.719 4.875 1.00 2.40 H new ATOM 0 HD11 LEU A 116 -2.845 0.956 3.634 1.00 54.11 H new ATOM 0 HD12 LEU A 116 -3.589 2.152 2.546 1.00 54.11 H new ATOM 0 HD13 LEU A 116 -1.838 2.204 2.862 1.00 54.11 H new ATOM 0 HD21 LEU A 116 -2.064 1.611 5.895 1.00 12.11 H new ATOM 0 HD22 LEU A 116 -1.035 2.919 5.265 1.00 12.11 H new ATOM 0 HD23 LEU A 116 -2.276 3.274 6.491 1.00 12.11 H new ATOM 1965 N LYS A 117 -3.262 7.637 3.968 1.00 51.01 N ATOM 1966 CA LYS A 117 -2.734 9.028 3.882 1.00 73.44 C ATOM 1967 C LYS A 117 -3.300 9.960 4.976 1.00 73.31 C ATOM 1968 O LYS A 117 -2.577 10.837 5.456 1.00 20.55 O ATOM 1969 CB LYS A 117 -2.886 9.674 2.478 1.00 52.20 C ATOM 1970 CG LYS A 117 -4.331 9.814 1.932 1.00 2.14 C ATOM 1971 CD LYS A 117 -4.454 10.837 0.763 1.00 65.55 C ATOM 1972 CE LYS A 117 -3.329 10.730 -0.295 1.00 43.11 C ATOM 1973 NZ LYS A 117 -3.224 9.374 -0.905 1.00 53.20 N ATOM 0 H LYS A 117 -3.788 7.335 3.148 1.00 51.01 H new ATOM 0 HA LYS A 117 -1.665 8.916 4.062 1.00 73.44 H new ATOM 0 HB2 LYS A 117 -2.436 10.666 2.509 1.00 52.20 H new ATOM 0 HB3 LYS A 117 -2.308 9.084 1.767 1.00 52.20 H new ATOM 0 HG2 LYS A 117 -4.678 8.839 1.590 1.00 2.14 H new ATOM 0 HG3 LYS A 117 -4.990 10.120 2.744 1.00 2.14 H new ATOM 0 HD2 LYS A 117 -5.416 10.694 0.270 1.00 65.55 H new ATOM 0 HD3 LYS A 117 -4.454 11.846 1.176 1.00 65.55 H new ATOM 0 HE2 LYS A 117 -3.508 11.463 -1.082 1.00 43.11 H new ATOM 0 HE3 LYS A 117 -2.377 10.987 0.169 1.00 43.11 H new ATOM 0 HZ1 LYS A 117 -2.549 9.400 -1.696 1.00 53.20 H new ATOM 0 HZ2 LYS A 117 -2.892 8.696 -0.189 1.00 53.20 H new ATOM 0 HZ3 LYS A 117 -4.157 9.078 -1.256 1.00 53.20 H new ATOM 1987 N GLU A 118 -4.566 9.755 5.382 1.00 42.43 N ATOM 1988 CA GLU A 118 -5.178 10.516 6.496 1.00 53.23 C ATOM 1989 C GLU A 118 -4.508 10.224 7.863 1.00 1.01 C ATOM 1990 O GLU A 118 -4.511 11.088 8.751 1.00 62.51 O ATOM 1991 CB GLU A 118 -6.702 10.235 6.565 1.00 11.53 C ATOM 1992 CG GLU A 118 -7.519 10.880 5.429 1.00 14.14 C ATOM 1993 CD GLU A 118 -7.545 12.419 5.504 1.00 24.31 C ATOM 1994 OE1 GLU A 118 -8.304 12.961 6.341 1.00 32.25 O ATOM 1995 OE2 GLU A 118 -6.817 13.100 4.743 1.00 13.01 O ATOM 0 H GLU A 118 -5.189 9.068 4.957 1.00 42.43 H new ATOM 0 HA GLU A 118 -5.014 11.573 6.287 1.00 53.23 H new ATOM 0 HB2 GLU A 118 -6.862 9.157 6.545 1.00 11.53 H new ATOM 0 HB3 GLU A 118 -7.083 10.596 7.520 1.00 11.53 H new ATOM 0 HG2 GLU A 118 -7.100 10.576 4.470 1.00 14.14 H new ATOM 0 HG3 GLU A 118 -8.541 10.503 5.465 1.00 14.14 H new ATOM 2002 N GLU A 119 -3.962 9.013 8.039 1.00 71.24 N ATOM 2003 CA GLU A 119 -3.231 8.642 9.271 1.00 4.20 C ATOM 2004 C GLU A 119 -1.771 9.099 9.197 1.00 72.44 C ATOM 2005 O GLU A 119 -1.232 9.652 10.170 1.00 14.03 O ATOM 2006 CB GLU A 119 -3.322 7.111 9.534 1.00 3.33 C ATOM 2007 CG GLU A 119 -4.762 6.561 9.626 1.00 75.14 C ATOM 2008 CD GLU A 119 -5.661 7.303 10.635 1.00 54.05 C ATOM 2009 OE1 GLU A 119 -5.625 6.967 11.830 1.00 55.04 O ATOM 2010 OE2 GLU A 119 -6.425 8.218 10.237 1.00 52.23 O ATOM 0 H GLU A 119 -4.010 8.267 7.345 1.00 71.24 H new ATOM 0 HA GLU A 119 -3.703 9.154 10.109 1.00 4.20 H new ATOM 0 HB2 GLU A 119 -2.797 6.586 8.736 1.00 3.33 H new ATOM 0 HB3 GLU A 119 -2.800 6.883 10.463 1.00 3.33 H new ATOM 0 HG2 GLU A 119 -5.222 6.614 8.639 1.00 75.14 H new ATOM 0 HG3 GLU A 119 -4.719 5.507 9.902 1.00 75.14 H new ATOM 2017 N ILE A 120 -1.133 8.915 8.024 1.00 1.33 N ATOM 2018 CA ILE A 120 0.303 9.191 7.865 1.00 33.10 C ATOM 2019 C ILE A 120 0.561 10.670 7.523 1.00 31.54 C ATOM 2020 O ILE A 120 1.711 11.089 7.449 1.00 11.14 O ATOM 2021 CB ILE A 120 0.987 8.242 6.792 1.00 14.41 C ATOM 2022 CG1 ILE A 120 0.555 8.592 5.334 1.00 74.13 C ATOM 2023 CG2 ILE A 120 0.686 6.756 7.107 1.00 55.42 C ATOM 2024 CD1 ILE A 120 1.231 7.782 4.230 1.00 34.41 C ATOM 0 H ILE A 120 -1.590 8.577 7.177 1.00 1.33 H new ATOM 0 HA ILE A 120 0.764 8.977 8.829 1.00 33.10 H new ATOM 0 HB ILE A 120 2.063 8.406 6.858 1.00 14.41 H new ATOM 0 HG12 ILE A 120 -0.523 8.455 5.251 1.00 74.13 H new ATOM 0 HG13 ILE A 120 0.756 9.649 5.159 1.00 74.13 H new ATOM 0 HG21 ILE A 120 1.164 6.122 6.360 1.00 55.42 H new ATOM 0 HG22 ILE A 120 1.073 6.508 8.095 1.00 55.42 H new ATOM 0 HG23 ILE A 120 -0.391 6.591 7.088 1.00 55.42 H new ATOM 0 HD11 ILE A 120 0.857 8.107 3.259 1.00 34.41 H new ATOM 0 HD12 ILE A 120 2.309 7.936 4.274 1.00 34.41 H new ATOM 0 HD13 ILE A 120 1.010 6.724 4.368 1.00 34.41 H new ATOM 2036 N LYS A 121 -0.511 11.484 7.348 1.00 54.24 N ATOM 2037 CA LYS A 121 -0.357 12.949 7.170 1.00 45.35 C ATOM 2038 C LYS A 121 0.097 13.612 8.472 1.00 54.10 C ATOM 2039 O LYS A 121 0.551 14.754 8.477 1.00 54.43 O ATOM 2040 CB LYS A 121 -1.645 13.610 6.628 1.00 45.23 C ATOM 2041 CG LYS A 121 -2.836 13.635 7.606 1.00 63.22 C ATOM 2042 CD LYS A 121 -4.099 14.277 6.978 1.00 73.13 C ATOM 2043 CE LYS A 121 -5.294 14.301 7.948 1.00 34.41 C ATOM 2044 NZ LYS A 121 -6.492 14.952 7.350 1.00 23.43 N ATOM 0 H LYS A 121 -1.477 11.157 7.327 1.00 54.24 H new ATOM 0 HA LYS A 121 0.418 13.102 6.419 1.00 45.35 H new ATOM 0 HB2 LYS A 121 -1.413 14.635 6.338 1.00 45.23 H new ATOM 0 HB3 LYS A 121 -1.950 13.084 5.723 1.00 45.23 H new ATOM 0 HG2 LYS A 121 -3.067 12.617 7.920 1.00 63.22 H new ATOM 0 HG3 LYS A 121 -2.556 14.190 8.502 1.00 63.22 H new ATOM 0 HD2 LYS A 121 -3.868 15.296 6.666 1.00 73.13 H new ATOM 0 HD3 LYS A 121 -4.375 13.724 6.080 1.00 73.13 H new ATOM 0 HE2 LYS A 121 -5.544 13.281 8.238 1.00 34.41 H new ATOM 0 HE3 LYS A 121 -5.011 14.831 8.857 1.00 34.41 H new ATOM 0 HZ1 LYS A 121 -6.803 15.734 7.961 1.00 23.43 H new ATOM 0 HZ2 LYS A 121 -6.252 15.322 6.408 1.00 23.43 H new ATOM 0 HZ3 LYS A 121 -7.259 14.255 7.263 1.00 23.43 H new ATOM 2058 N ASN A 122 -0.019 12.858 9.573 1.00 0.42 N ATOM 2059 CA ASN A 122 0.461 13.265 10.894 1.00 1.33 C ATOM 2060 C ASN A 122 1.918 12.802 11.119 1.00 71.33 C ATOM 2061 O ASN A 122 2.447 12.957 12.220 1.00 64.24 O ATOM 2062 CB ASN A 122 -0.482 12.687 11.982 1.00 11.22 C ATOM 2063 CG ASN A 122 -1.949 13.088 11.757 1.00 24.04 C ATOM 2064 OD1 ASN A 122 -2.406 14.121 12.245 1.00 72.33 O ATOM 2065 ND2 ASN A 122 -2.690 12.272 11.018 1.00 51.25 N ATOM 0 H ASN A 122 -0.455 11.936 9.568 1.00 0.42 H new ATOM 0 HA ASN A 122 0.453 14.353 10.958 1.00 1.33 H new ATOM 0 HB2 ASN A 122 -0.402 11.600 11.989 1.00 11.22 H new ATOM 0 HB3 ASN A 122 -0.159 13.036 12.963 1.00 11.22 H new ATOM 0 HD21 ASN A 122 -3.670 12.494 10.840 1.00 51.25 H new ATOM 0 HD22 ASN A 122 -2.280 11.423 10.628 1.00 51.25 H new ATOM 2072 N ASN A 123 2.563 12.237 10.074 1.00 32.32 N ATOM 2073 CA ASN A 123 3.990 11.825 10.120 1.00 15.33 C ATOM 2074 C ASN A 123 4.882 12.907 9.494 1.00 54.25 C ATOM 2075 O ASN A 123 4.437 13.685 8.647 1.00 13.21 O ATOM 2076 CB ASN A 123 4.234 10.472 9.381 1.00 13.45 C ATOM 2077 CG ASN A 123 3.440 9.291 9.940 1.00 51.44 C ATOM 2078 OD1 ASN A 123 2.998 9.287 11.091 1.00 32.04 O ATOM 2079 ND2 ASN A 123 3.286 8.256 9.133 1.00 43.32 N ATOM 0 H ASN A 123 2.114 12.053 9.177 1.00 32.32 H new ATOM 0 HA ASN A 123 4.247 11.692 11.171 1.00 15.33 H new ATOM 0 HB2 ASN A 123 3.982 10.597 8.328 1.00 13.45 H new ATOM 0 HB3 ASN A 123 5.297 10.234 9.428 1.00 13.45 H new ATOM 0 HD21 ASN A 123 2.791 7.426 9.458 1.00 43.32 H new ATOM 0 HD22 ASN A 123 3.662 8.288 8.186 1.00 43.32 H new ATOM 2086 N ASN A 124 6.151 12.935 9.927 1.00 52.42 N ATOM 2087 CA ASN A 124 7.197 13.839 9.396 1.00 54.42 C ATOM 2088 C ASN A 124 8.286 13.015 8.684 1.00 21.11 C ATOM 2089 O ASN A 124 9.422 13.473 8.513 1.00 45.14 O ATOM 2090 CB ASN A 124 7.781 14.700 10.560 1.00 4.21 C ATOM 2091 CG ASN A 124 6.777 15.718 11.128 1.00 21.50 C ATOM 2092 OD1 ASN A 124 5.953 16.275 10.399 1.00 62.30 O ATOM 2093 ND2 ASN A 124 6.834 15.955 12.428 1.00 22.42 N ATOM 0 H ASN A 124 6.491 12.322 10.668 1.00 52.42 H new ATOM 0 HA ASN A 124 6.768 14.519 8.661 1.00 54.42 H new ATOM 0 HB2 ASN A 124 8.110 14.039 11.362 1.00 4.21 H new ATOM 0 HB3 ASN A 124 8.663 15.231 10.202 1.00 4.21 H new ATOM 0 HD21 ASN A 124 6.184 16.615 12.855 1.00 22.42 H new ATOM 0 HD22 ASN A 124 7.528 15.478 13.003 1.00 22.42 H new ATOM 2100 N ASN A 125 7.915 11.793 8.251 1.00 12.03 N ATOM 2101 CA ASN A 125 8.802 10.888 7.479 1.00 43.32 C ATOM 2102 C ASN A 125 8.268 10.731 6.037 1.00 72.14 C ATOM 2103 O ASN A 125 8.718 9.874 5.274 1.00 44.00 O ATOM 2104 CB ASN A 125 8.901 9.507 8.212 1.00 21.51 C ATOM 2105 CG ASN A 125 9.983 8.558 7.660 1.00 70.51 C ATOM 2106 OD1 ASN A 125 10.990 8.997 7.100 1.00 12.31 O ATOM 2107 ND2 ASN A 125 9.777 7.256 7.813 1.00 4.35 N ATOM 0 H ASN A 125 6.990 11.401 8.426 1.00 12.03 H new ATOM 0 HA ASN A 125 9.804 11.313 7.416 1.00 43.32 H new ATOM 0 HB2 ASN A 125 9.099 9.686 9.269 1.00 21.51 H new ATOM 0 HB3 ASN A 125 7.934 9.008 8.149 1.00 21.51 H new ATOM 0 HD21 ASN A 125 10.462 6.587 7.463 1.00 4.35 H new ATOM 0 HD22 ASN A 125 8.933 6.925 8.281 1.00 4.35 H new ATOM 2114 N ILE A 126 7.339 11.616 5.648 1.00 22.22 N ATOM 2115 CA ILE A 126 6.618 11.497 4.375 1.00 3.22 C ATOM 2116 C ILE A 126 7.468 12.047 3.217 1.00 70.45 C ATOM 2117 O ILE A 126 7.853 13.219 3.228 1.00 12.25 O ATOM 2118 CB ILE A 126 5.224 12.220 4.425 1.00 62.42 C ATOM 2119 CG1 ILE A 126 4.355 11.662 5.600 1.00 4.41 C ATOM 2120 CG2 ILE A 126 4.472 12.093 3.077 1.00 43.12 C ATOM 2121 CD1 ILE A 126 4.054 10.172 5.517 1.00 73.42 C ATOM 0 H ILE A 126 7.069 12.428 6.203 1.00 22.22 H new ATOM 0 HA ILE A 126 6.433 10.437 4.202 1.00 3.22 H new ATOM 0 HB ILE A 126 5.405 13.280 4.603 1.00 62.42 H new ATOM 0 HG12 ILE A 126 4.868 11.863 6.541 1.00 4.41 H new ATOM 0 HG13 ILE A 126 3.412 12.208 5.628 1.00 4.41 H new ATOM 0 HG21 ILE A 126 3.512 12.604 3.146 1.00 43.12 H new ATOM 0 HG22 ILE A 126 5.067 12.546 2.284 1.00 43.12 H new ATOM 0 HG23 ILE A 126 4.307 11.040 2.850 1.00 43.12 H new ATOM 0 HD11 ILE A 126 3.447 9.875 6.372 1.00 73.42 H new ATOM 0 HD12 ILE A 126 3.510 9.961 4.596 1.00 73.42 H new ATOM 0 HD13 ILE A 126 4.989 9.611 5.523 1.00 73.42 H new ATOM 2133 N MET A 127 7.750 11.186 2.221 1.00 20.43 N ATOM 2134 CA MET A 127 8.558 11.560 1.049 1.00 22.32 C ATOM 2135 C MET A 127 7.742 12.413 0.075 1.00 14.35 C ATOM 2136 O MET A 127 6.524 12.220 -0.075 1.00 12.23 O ATOM 2137 CB MET A 127 9.108 10.309 0.317 1.00 34.15 C ATOM 2138 CG MET A 127 10.035 9.422 1.162 1.00 51.43 C ATOM 2139 SD MET A 127 11.008 8.260 0.169 1.00 22.43 S ATOM 2140 CE MET A 127 9.734 7.410 -0.767 1.00 21.10 C ATOM 0 H MET A 127 7.426 10.219 2.207 1.00 20.43 H new ATOM 0 HA MET A 127 9.403 12.145 1.412 1.00 22.32 H new ATOM 0 HB2 MET A 127 8.266 9.707 -0.026 1.00 34.15 H new ATOM 0 HB3 MET A 127 9.650 10.634 -0.571 1.00 34.15 H new ATOM 0 HG2 MET A 127 10.712 10.056 1.735 1.00 51.43 H new ATOM 0 HG3 MET A 127 9.436 8.863 1.881 1.00 51.43 H new ATOM 0 HE1 MET A 127 10.119 6.454 -1.120 1.00 21.10 H new ATOM 0 HE2 MET A 127 8.867 7.239 -0.129 1.00 21.10 H new ATOM 0 HE3 MET A 127 9.441 8.021 -1.621 1.00 21.10 H new ATOM 2150 N ILE A 128 8.438 13.344 -0.583 1.00 62.54 N ATOM 2151 CA ILE A 128 7.848 14.262 -1.572 1.00 43.41 C ATOM 2152 C ILE A 128 7.704 13.555 -2.936 1.00 61.32 C ATOM 2153 O ILE A 128 7.009 14.048 -3.812 1.00 20.11 O ATOM 2154 CB ILE A 128 8.732 15.569 -1.715 1.00 2.31 C ATOM 2155 CG1 ILE A 128 8.993 16.209 -0.314 1.00 74.43 C ATOM 2156 CG2 ILE A 128 8.087 16.612 -2.676 1.00 4.03 C ATOM 2157 CD1 ILE A 128 9.865 17.449 -0.347 1.00 2.44 C ATOM 0 H ILE A 128 9.439 13.486 -0.445 1.00 62.54 H new ATOM 0 HA ILE A 128 6.857 14.556 -1.225 1.00 43.41 H new ATOM 0 HB ILE A 128 9.684 15.268 -2.153 1.00 2.31 H new ATOM 0 HG12 ILE A 128 8.035 16.464 0.140 1.00 74.43 H new ATOM 0 HG13 ILE A 128 9.463 15.466 0.330 1.00 74.43 H new ATOM 0 HG21 ILE A 128 8.728 17.491 -2.743 1.00 4.03 H new ATOM 0 HG22 ILE A 128 7.971 16.171 -3.666 1.00 4.03 H new ATOM 0 HG23 ILE A 128 7.110 16.905 -2.292 1.00 4.03 H new ATOM 0 HD11 ILE A 128 9.996 17.829 0.666 1.00 2.44 H new ATOM 0 HD12 ILE A 128 10.838 17.198 -0.769 1.00 2.44 H new ATOM 0 HD13 ILE A 128 9.389 18.212 -0.962 1.00 2.44 H new ATOM 2169 N LYS A 129 8.387 12.401 -3.114 1.00 54.21 N ATOM 2170 CA LYS A 129 8.387 11.612 -4.375 1.00 13.40 C ATOM 2171 C LYS A 129 8.059 10.126 -4.065 1.00 74.00 C ATOM 2172 O LYS A 129 8.256 9.652 -2.940 1.00 60.42 O ATOM 2173 CB LYS A 129 9.783 11.721 -5.104 1.00 43.33 C ATOM 2174 CG LYS A 129 10.011 12.944 -6.043 1.00 14.42 C ATOM 2175 CD LYS A 129 9.929 14.302 -5.324 1.00 74.12 C ATOM 2176 CE LYS A 129 10.493 15.466 -6.149 1.00 62.03 C ATOM 2177 NZ LYS A 129 9.786 15.677 -7.441 1.00 63.02 N ATOM 0 H LYS A 129 8.961 11.984 -2.381 1.00 54.21 H new ATOM 0 HA LYS A 129 7.624 12.017 -5.039 1.00 13.40 H new ATOM 0 HB2 LYS A 129 10.561 11.733 -4.341 1.00 43.33 H new ATOM 0 HB3 LYS A 129 9.927 10.814 -5.692 1.00 43.33 H new ATOM 0 HG2 LYS A 129 10.990 12.851 -6.514 1.00 14.42 H new ATOM 0 HG3 LYS A 129 9.269 12.921 -6.841 1.00 14.42 H new ATOM 0 HD2 LYS A 129 8.888 14.512 -5.078 1.00 74.12 H new ATOM 0 HD3 LYS A 129 10.472 14.238 -4.381 1.00 74.12 H new ATOM 0 HE2 LYS A 129 10.435 16.381 -5.559 1.00 62.03 H new ATOM 0 HE3 LYS A 129 11.549 15.282 -6.348 1.00 62.03 H new ATOM 0 HZ1 LYS A 129 10.468 15.620 -8.224 1.00 63.02 H new ATOM 0 HZ2 LYS A 129 9.058 14.944 -7.562 1.00 63.02 H new ATOM 0 HZ3 LYS A 129 9.337 16.615 -7.442 1.00 63.02 H new ATOM 2191 N TYR A 130 7.541 9.415 -5.087 1.00 74.22 N ATOM 2192 CA TYR A 130 7.327 7.954 -5.070 1.00 71.42 C ATOM 2193 C TYR A 130 7.445 7.418 -6.519 1.00 13.02 C ATOM 2194 O TYR A 130 7.559 8.209 -7.481 1.00 13.34 O ATOM 2195 CB TYR A 130 5.948 7.593 -4.446 1.00 13.21 C ATOM 2196 CG TYR A 130 4.721 7.865 -5.341 1.00 62.54 C ATOM 2197 CD1 TYR A 130 4.333 9.162 -5.686 1.00 35.33 C ATOM 2198 CD2 TYR A 130 3.944 6.811 -5.835 1.00 42.34 C ATOM 2199 CE1 TYR A 130 3.225 9.393 -6.483 1.00 3.13 C ATOM 2200 CE2 TYR A 130 2.839 7.039 -6.631 1.00 71.32 C ATOM 2201 CZ TYR A 130 2.483 8.331 -6.951 1.00 32.34 C ATOM 2202 OH TYR A 130 1.381 8.561 -7.746 1.00 55.43 O ATOM 0 H TYR A 130 7.254 9.849 -5.964 1.00 74.22 H new ATOM 0 HA TYR A 130 8.087 7.484 -4.446 1.00 71.42 H new ATOM 0 HB2 TYR A 130 5.955 6.536 -4.181 1.00 13.21 H new ATOM 0 HB3 TYR A 130 5.831 8.154 -3.519 1.00 13.21 H new ATOM 0 HD1 TYR A 130 4.909 10.001 -5.324 1.00 35.33 H new ATOM 0 HD2 TYR A 130 4.215 5.795 -5.588 1.00 42.34 H new ATOM 0 HE1 TYR A 130 2.943 10.404 -6.737 1.00 3.13 H new ATOM 0 HE2 TYR A 130 2.256 6.208 -7.001 1.00 71.32 H new ATOM 0 HH TYR A 130 0.971 7.706 -7.992 1.00 55.43 H new ATOM 2212 N HIS A 131 7.422 6.085 -6.679 1.00 14.03 N ATOM 2213 CA HIS A 131 7.499 5.433 -7.999 1.00 34.22 C ATOM 2214 C HIS A 131 6.085 5.012 -8.439 1.00 2.24 C ATOM 2215 O HIS A 131 5.479 4.169 -7.782 1.00 73.35 O ATOM 2216 CB HIS A 131 8.447 4.215 -7.942 1.00 64.13 C ATOM 2217 CG HIS A 131 9.894 4.598 -7.756 1.00 71.40 C ATOM 2218 ND1 HIS A 131 10.680 4.923 -8.830 1.00 33.30 N ATOM 2219 CD2 HIS A 131 10.636 4.707 -6.623 1.00 23.33 C ATOM 2220 CE1 HIS A 131 11.870 5.224 -8.337 1.00 24.35 C ATOM 2221 NE2 HIS A 131 11.887 5.106 -7.007 1.00 61.15 N ATOM 0 H HIS A 131 7.350 5.430 -5.901 1.00 14.03 H new ATOM 0 HA HIS A 131 7.902 6.134 -8.730 1.00 34.22 H new ATOM 0 HB2 HIS A 131 8.142 3.563 -7.123 1.00 64.13 H new ATOM 0 HB3 HIS A 131 8.345 3.640 -8.862 1.00 64.13 H new ATOM 0 HD1 HIS A 131 10.403 4.931 -9.812 1.00 33.30 H new ATOM 0 HD2 HIS A 131 10.302 4.516 -5.614 1.00 23.33 H new ATOM 0 HE1 HIS A 131 12.718 5.526 -8.933 1.00 24.35 H new ATOM 2229 N PRO A 132 5.524 5.608 -9.545 1.00 2.45 N ATOM 2230 CA PRO A 132 4.134 5.333 -9.982 1.00 61.22 C ATOM 2231 C PRO A 132 3.952 3.906 -10.545 1.00 15.03 C ATOM 2232 O PRO A 132 2.858 3.349 -10.471 1.00 12.04 O ATOM 2233 CB PRO A 132 3.895 6.415 -11.061 1.00 5.21 C ATOM 2234 CG PRO A 132 5.252 6.694 -11.625 1.00 23.22 C ATOM 2235 CD PRO A 132 6.196 6.586 -10.451 1.00 21.44 C ATOM 0 HA PRO A 132 3.421 5.375 -9.159 1.00 61.22 H new ATOM 0 HB2 PRO A 132 3.211 6.061 -11.832 1.00 5.21 H new ATOM 0 HB3 PRO A 132 3.453 7.313 -10.630 1.00 5.21 H new ATOM 0 HG2 PRO A 132 5.510 5.978 -12.405 1.00 23.22 H new ATOM 0 HG3 PRO A 132 5.295 7.685 -12.076 1.00 23.22 H new ATOM 0 HD2 PRO A 132 7.180 6.235 -10.760 1.00 21.44 H new ATOM 0 HD3 PRO A 132 6.340 7.550 -9.963 1.00 21.44 H new ATOM 2243 N LYS A 133 5.037 3.336 -11.104 1.00 13.34 N ATOM 2244 CA LYS A 133 5.045 1.967 -11.666 1.00 41.33 C ATOM 2245 C LYS A 133 5.359 0.922 -10.574 1.00 14.32 C ATOM 2246 O LYS A 133 5.376 1.246 -9.386 1.00 42.40 O ATOM 2247 CB LYS A 133 6.080 1.897 -12.823 1.00 63.10 C ATOM 2248 CG LYS A 133 5.765 2.824 -14.015 1.00 43.52 C ATOM 2249 CD LYS A 133 4.415 2.491 -14.682 1.00 50.11 C ATOM 2250 CE LYS A 133 4.069 3.447 -15.829 1.00 62.41 C ATOM 2251 NZ LYS A 133 5.103 3.431 -16.894 1.00 55.30 N ATOM 0 H LYS A 133 5.936 3.812 -11.180 1.00 13.34 H new ATOM 0 HA LYS A 133 4.055 1.734 -12.058 1.00 41.33 H new ATOM 0 HB2 LYS A 133 7.064 2.152 -12.430 1.00 63.10 H new ATOM 0 HB3 LYS A 133 6.137 0.869 -13.182 1.00 63.10 H new ATOM 0 HG2 LYS A 133 5.752 3.859 -13.673 1.00 43.52 H new ATOM 0 HG3 LYS A 133 6.562 2.743 -14.754 1.00 43.52 H new ATOM 0 HD2 LYS A 133 4.445 1.470 -15.062 1.00 50.11 H new ATOM 0 HD3 LYS A 133 3.625 2.529 -13.932 1.00 50.11 H new ATOM 0 HE2 LYS A 133 3.105 3.169 -16.255 1.00 62.41 H new ATOM 0 HE3 LYS A 133 3.965 4.460 -15.439 1.00 62.41 H new ATOM 0 HZ1 LYS A 133 4.770 3.984 -17.710 1.00 55.30 H new ATOM 0 HZ2 LYS A 133 5.983 3.848 -16.530 1.00 55.30 H new ATOM 0 HZ3 LYS A 133 5.281 2.450 -17.190 1.00 55.30 H new ATOM 2265 N PHE A 134 5.610 -0.340 -10.992 1.00 24.21 N ATOM 2266 CA PHE A 134 5.870 -1.453 -10.066 1.00 50.13 C ATOM 2267 C PHE A 134 7.365 -1.548 -9.713 1.00 60.30 C ATOM 2268 O PHE A 134 8.122 -2.270 -10.363 1.00 23.24 O ATOM 2269 CB PHE A 134 5.340 -2.781 -10.669 1.00 12.22 C ATOM 2270 CG PHE A 134 3.814 -2.872 -10.708 1.00 24.34 C ATOM 2271 CD1 PHE A 134 3.100 -3.099 -9.536 1.00 31.24 C ATOM 2272 CD2 PHE A 134 3.100 -2.717 -11.896 1.00 33.35 C ATOM 2273 CE1 PHE A 134 1.726 -3.189 -9.548 1.00 61.15 C ATOM 2274 CE2 PHE A 134 1.719 -2.807 -11.912 1.00 0.15 C ATOM 2275 CZ PHE A 134 1.032 -3.036 -10.737 1.00 35.32 C ATOM 0 H PHE A 134 5.637 -0.609 -11.976 1.00 24.21 H new ATOM 0 HA PHE A 134 5.335 -1.263 -9.135 1.00 50.13 H new ATOM 0 HB2 PHE A 134 5.728 -2.890 -11.682 1.00 12.22 H new ATOM 0 HB3 PHE A 134 5.730 -3.616 -10.087 1.00 12.22 H new ATOM 0 HD1 PHE A 134 3.632 -3.206 -8.602 1.00 31.24 H new ATOM 0 HD2 PHE A 134 3.632 -2.524 -12.816 1.00 33.35 H new ATOM 0 HE1 PHE A 134 1.189 -3.379 -8.630 1.00 61.15 H new ATOM 0 HE2 PHE A 134 1.180 -2.698 -12.842 1.00 0.15 H new ATOM 0 HZ PHE A 134 -0.046 -3.096 -10.745 1.00 35.32 H new ATOM 2285 N TRP A 135 7.769 -0.768 -8.699 1.00 51.43 N ATOM 2286 CA TRP A 135 9.122 -0.805 -8.107 1.00 33.04 C ATOM 2287 C TRP A 135 9.340 -2.184 -7.459 1.00 74.51 C ATOM 2288 O TRP A 135 8.917 -2.420 -6.317 1.00 33.41 O ATOM 2289 CB TRP A 135 9.275 0.331 -7.049 1.00 13.22 C ATOM 2290 CG TRP A 135 10.678 0.557 -6.512 1.00 72.11 C ATOM 2291 CD1 TRP A 135 11.581 1.445 -6.995 1.00 22.34 C ATOM 2292 CD2 TRP A 135 11.327 -0.090 -5.394 1.00 10.25 C ATOM 2293 NE1 TRP A 135 12.721 1.415 -6.247 1.00 62.01 N ATOM 2294 CE2 TRP A 135 12.605 0.475 -5.278 1.00 60.31 C ATOM 2295 CE3 TRP A 135 10.956 -1.090 -4.483 1.00 21.42 C ATOM 2296 CZ2 TRP A 135 13.508 0.084 -4.296 1.00 65.11 C ATOM 2297 CZ3 TRP A 135 11.853 -1.484 -3.516 1.00 61.40 C ATOM 2298 CH2 TRP A 135 13.117 -0.896 -3.425 1.00 11.02 C ATOM 0 H TRP A 135 7.157 -0.081 -8.258 1.00 51.43 H new ATOM 0 HA TRP A 135 9.872 -0.647 -8.882 1.00 33.04 H new ATOM 0 HB2 TRP A 135 8.923 1.263 -7.492 1.00 13.22 H new ATOM 0 HB3 TRP A 135 8.617 0.109 -6.209 1.00 13.22 H new ATOM 0 HD1 TRP A 135 11.421 2.085 -7.850 1.00 22.34 H new ATOM 0 HE1 TRP A 135 13.537 2.010 -6.395 1.00 62.01 H new ATOM 0 HE3 TRP A 135 9.978 -1.545 -4.540 1.00 21.42 H new ATOM 0 HZ2 TRP A 135 14.485 0.538 -4.223 1.00 65.11 H new ATOM 0 HZ3 TRP A 135 11.575 -2.259 -2.817 1.00 61.40 H new ATOM 0 HH2 TRP A 135 13.798 -1.221 -2.653 1.00 11.02 H new ATOM 2309 N THR A 136 9.931 -3.110 -8.216 1.00 1.12 N ATOM 2310 CA THR A 136 10.109 -4.508 -7.797 1.00 54.20 C ATOM 2311 C THR A 136 11.322 -5.109 -8.556 1.00 41.24 C ATOM 2312 O THR A 136 11.774 -4.532 -9.560 1.00 41.03 O ATOM 2313 CB THR A 136 8.790 -5.333 -8.076 1.00 52.43 C ATOM 2314 OG1 THR A 136 7.632 -4.668 -7.529 1.00 51.55 O ATOM 2315 CG2 THR A 136 8.837 -6.746 -7.493 1.00 25.14 C ATOM 0 H THR A 136 10.304 -2.913 -9.145 1.00 1.12 H new ATOM 0 HA THR A 136 10.305 -4.555 -6.726 1.00 54.20 H new ATOM 0 HB THR A 136 8.717 -5.401 -9.161 1.00 52.43 H new ATOM 0 HG1 THR A 136 7.389 -5.084 -6.676 1.00 51.55 H new ATOM 0 HG21 THR A 136 7.904 -7.263 -7.717 1.00 25.14 H new ATOM 0 HG22 THR A 136 9.670 -7.294 -7.933 1.00 25.14 H new ATOM 0 HG23 THR A 136 8.971 -6.690 -6.413 1.00 25.14 H new ATOM 2323 N ASP A 137 11.848 -6.249 -8.051 1.00 23.45 N ATOM 2324 CA ASP A 137 13.009 -6.956 -8.616 1.00 1.43 C ATOM 2325 C ASP A 137 12.806 -7.331 -10.105 1.00 23.20 C ATOM 2326 O ASP A 137 11.972 -8.180 -10.431 1.00 61.44 O ATOM 2327 CB ASP A 137 13.283 -8.210 -7.752 1.00 35.12 C ATOM 2328 CG ASP A 137 14.456 -9.072 -8.242 1.00 22.23 C ATOM 2329 OD1 ASP A 137 15.619 -8.644 -8.089 1.00 21.35 O ATOM 2330 OD2 ASP A 137 14.227 -10.186 -8.774 1.00 54.04 O ATOM 0 H ASP A 137 11.466 -6.708 -7.224 1.00 23.45 H new ATOM 0 HA ASP A 137 13.872 -6.291 -8.594 1.00 1.43 H new ATOM 0 HB2 ASP A 137 13.482 -7.895 -6.728 1.00 35.12 H new ATOM 0 HB3 ASP A 137 12.382 -8.823 -7.727 1.00 35.12 H new ATOM 2335 N GLY A 138 13.565 -6.641 -10.990 1.00 13.21 N ATOM 2336 CA GLY A 138 13.579 -6.927 -12.428 1.00 50.50 C ATOM 2337 C GLY A 138 12.274 -6.592 -13.147 1.00 31.24 C ATOM 2338 O GLY A 138 12.008 -7.104 -14.234 1.00 2.35 O ATOM 0 H GLY A 138 14.180 -5.874 -10.719 1.00 13.21 H new ATOM 0 HA2 GLY A 138 14.390 -6.365 -12.891 1.00 50.50 H new ATOM 0 HA3 GLY A 138 13.800 -7.984 -12.574 1.00 50.50 H new ATOM 2342 N SER A 139 11.458 -5.723 -12.530 1.00 14.12 N ATOM 2343 CA SER A 139 10.117 -5.382 -13.024 1.00 22.04 C ATOM 2344 C SER A 139 10.140 -4.250 -14.053 1.00 50.32 C ATOM 2345 O SER A 139 11.074 -3.443 -14.102 1.00 60.30 O ATOM 2346 CB SER A 139 9.215 -4.998 -11.834 1.00 63.13 C ATOM 2347 OG SER A 139 8.777 -6.150 -11.122 1.00 22.22 O ATOM 0 H SER A 139 11.712 -5.236 -11.671 1.00 14.12 H new ATOM 0 HA SER A 139 9.719 -6.261 -13.530 1.00 22.04 H new ATOM 0 HB2 SER A 139 9.761 -4.337 -11.160 1.00 63.13 H new ATOM 0 HB3 SER A 139 8.350 -4.441 -12.195 1.00 63.13 H new ATOM 0 HG SER A 139 7.823 -6.064 -10.915 1.00 22.22 H new ATOM 2353 N TYR A 140 9.077 -4.226 -14.862 1.00 74.24 N ATOM 2354 CA TYR A 140 8.754 -3.135 -15.783 1.00 73.05 C ATOM 2355 C TYR A 140 8.465 -1.843 -14.977 1.00 14.14 C ATOM 2356 O TYR A 140 7.421 -1.699 -14.327 1.00 64.00 O ATOM 2357 CB TYR A 140 7.571 -3.563 -16.710 1.00 32.03 C ATOM 2358 CG TYR A 140 6.330 -4.143 -15.991 1.00 42.00 C ATOM 2359 CD1 TYR A 140 6.251 -5.496 -15.630 1.00 15.41 C ATOM 2360 CD2 TYR A 140 5.240 -3.341 -15.680 1.00 51.53 C ATOM 2361 CE1 TYR A 140 5.136 -6.004 -14.986 1.00 53.33 C ATOM 2362 CE2 TYR A 140 4.124 -3.842 -15.042 1.00 62.10 C ATOM 2363 CZ TYR A 140 4.073 -5.171 -14.694 1.00 3.12 C ATOM 2364 OH TYR A 140 2.962 -5.672 -14.037 1.00 54.52 O ATOM 0 H TYR A 140 8.399 -4.987 -14.894 1.00 74.24 H new ATOM 0 HA TYR A 140 9.601 -2.918 -16.434 1.00 73.05 H new ATOM 0 HB2 TYR A 140 7.258 -2.696 -17.292 1.00 32.03 H new ATOM 0 HB3 TYR A 140 7.939 -4.307 -17.417 1.00 32.03 H new ATOM 0 HD1 TYR A 140 7.076 -6.154 -15.859 1.00 15.41 H new ATOM 0 HD2 TYR A 140 5.267 -2.294 -15.945 1.00 51.53 H new ATOM 0 HE1 TYR A 140 5.097 -7.048 -14.713 1.00 53.33 H new ATOM 0 HE2 TYR A 140 3.292 -3.191 -14.816 1.00 62.10 H new ATOM 0 HH TYR A 140 2.307 -4.955 -13.908 1.00 54.52 H new ATOM 2374 N GLN A 141 9.454 -0.934 -14.964 1.00 43.13 N ATOM 2375 CA GLN A 141 9.447 0.277 -14.122 1.00 21.43 C ATOM 2376 C GLN A 141 9.623 1.533 -14.977 1.00 14.30 C ATOM 2377 O GLN A 141 9.974 1.462 -16.163 1.00 30.50 O ATOM 2378 CB GLN A 141 10.579 0.177 -13.059 1.00 22.34 C ATOM 2379 CG GLN A 141 10.405 -0.971 -12.049 1.00 22.24 C ATOM 2380 CD GLN A 141 11.669 -1.283 -11.245 1.00 43.41 C ATOM 2381 OE1 GLN A 141 11.900 -0.720 -10.178 1.00 51.22 O ATOM 2382 NE2 GLN A 141 12.503 -2.177 -11.766 1.00 61.31 N ATOM 0 H GLN A 141 10.290 -1.019 -15.543 1.00 43.13 H new ATOM 0 HA GLN A 141 8.485 0.350 -13.615 1.00 21.43 H new ATOM 0 HB2 GLN A 141 11.532 0.051 -13.572 1.00 22.34 H new ATOM 0 HB3 GLN A 141 10.632 1.119 -12.514 1.00 22.34 H new ATOM 0 HG2 GLN A 141 9.600 -0.717 -11.359 1.00 22.24 H new ATOM 0 HG3 GLN A 141 10.095 -1.869 -12.584 1.00 22.24 H new ATOM 0 HE21 GLN A 141 12.280 -2.626 -12.654 1.00 61.31 H new ATOM 0 HE22 GLN A 141 13.366 -2.415 -11.277 1.00 61.31 H new ATOM 2391 N CYS A 142 9.387 2.675 -14.325 1.00 3.12 N ATOM 2392 CA CYS A 142 9.482 4.005 -14.921 1.00 43.32 C ATOM 2393 C CYS A 142 10.956 4.390 -15.176 1.00 42.13 C ATOM 2394 O CYS A 142 11.403 4.436 -16.332 1.00 72.42 O ATOM 2395 CB CYS A 142 8.769 4.994 -13.970 1.00 22.22 C ATOM 2396 SG CYS A 142 9.045 4.618 -12.207 1.00 62.34 S ATOM 0 H CYS A 142 9.117 2.697 -13.342 1.00 3.12 H new ATOM 0 HA CYS A 142 8.995 4.030 -15.896 1.00 43.32 H new ATOM 0 HB2 CYS A 142 9.119 6.005 -14.179 1.00 22.22 H new ATOM 0 HB3 CYS A 142 7.699 4.978 -14.175 1.00 22.22 H new ATOM 0 HG CYS A 142 9.202 5.727 -11.546 1.00 62.34 H new ATOM 2401 N CYS A 143 11.708 4.646 -14.088 1.00 51.34 N ATOM 2402 CA CYS A 143 13.148 4.987 -14.156 1.00 13.22 C ATOM 2403 C CYS A 143 14.033 3.774 -13.833 1.00 4.10 C ATOM 2404 O CYS A 143 15.273 3.897 -13.844 1.00 71.05 O ATOM 2405 CB CYS A 143 13.441 6.169 -13.210 1.00 74.00 C ATOM 2406 SG CYS A 143 12.900 5.909 -11.498 1.00 42.04 S ATOM 0 H CYS A 143 11.338 4.623 -13.138 1.00 51.34 H new ATOM 0 HA CYS A 143 13.390 5.284 -15.176 1.00 13.22 H new ATOM 0 HB2 CYS A 143 14.513 6.365 -13.214 1.00 74.00 H new ATOM 0 HB3 CYS A 143 12.953 7.062 -13.601 1.00 74.00 H new ATOM 0 HG CYS A 143 13.720 6.510 -10.688 1.00 42.04 H new ATOM 2411 N ARG A 144 13.382 2.606 -13.542 1.00 51.22 N ATOM 2412 CA ARG A 144 14.053 1.292 -13.332 1.00 45.52 C ATOM 2413 C ARG A 144 14.925 1.263 -12.060 1.00 54.45 C ATOM 2414 O ARG A 144 15.680 0.306 -11.865 1.00 71.23 O ATOM 2415 CB ARG A 144 14.920 0.905 -14.584 1.00 74.30 C ATOM 2416 CG ARG A 144 14.135 0.718 -15.897 1.00 35.25 C ATOM 2417 CD ARG A 144 13.206 -0.499 -15.856 1.00 3.14 C ATOM 2418 NE ARG A 144 13.944 -1.746 -15.599 1.00 42.41 N ATOM 2419 CZ ARG A 144 13.547 -2.975 -15.957 1.00 62.34 C ATOM 2420 NH1 ARG A 144 12.402 -3.180 -16.613 1.00 65.31 N ATOM 2421 NH2 ARG A 144 14.306 -4.005 -15.645 1.00 14.55 N ATOM 0 H ARG A 144 12.368 2.555 -13.447 1.00 51.22 H new ATOM 0 HA ARG A 144 13.259 0.558 -13.197 1.00 45.52 H new ATOM 0 HB2 ARG A 144 15.673 1.678 -14.737 1.00 74.30 H new ATOM 0 HB3 ARG A 144 15.453 -0.020 -14.364 1.00 74.30 H new ATOM 0 HG2 ARG A 144 13.547 1.614 -16.096 1.00 35.25 H new ATOM 0 HG3 ARG A 144 14.837 0.608 -16.724 1.00 35.25 H new ATOM 0 HD2 ARG A 144 12.454 -0.356 -15.080 1.00 3.14 H new ATOM 0 HD3 ARG A 144 12.674 -0.581 -16.804 1.00 3.14 H new ATOM 0 HE ARG A 144 14.834 -1.668 -15.106 1.00 42.41 H new ATOM 0 HH11 ARG A 144 11.804 -2.390 -16.854 1.00 65.31 H new ATOM 0 HH12 ARG A 144 12.125 -4.127 -16.873 1.00 65.31 H new ATOM 0 HH21 ARG A 144 15.180 -3.860 -15.139 1.00 14.55 H new ATOM 0 HH22 ARG A 144 14.020 -4.948 -15.909 1.00 14.55 H new ATOM 2435 N GLN A 145 14.796 2.284 -11.186 1.00 5.22 N ATOM 2436 CA GLN A 145 15.702 2.480 -10.038 1.00 11.03 C ATOM 2437 C GLN A 145 15.303 1.607 -8.828 1.00 72.31 C ATOM 2438 O GLN A 145 14.893 2.126 -7.790 1.00 60.01 O ATOM 2439 CB GLN A 145 15.724 3.983 -9.636 1.00 71.05 C ATOM 2440 CG GLN A 145 16.203 4.958 -10.733 1.00 62.32 C ATOM 2441 CD GLN A 145 16.138 6.436 -10.317 1.00 54.23 C ATOM 2442 OE1 GLN A 145 15.132 6.805 -9.537 1.00 64.13 O flip ATOM 2443 NE2 GLN A 145 16.956 7.253 -10.734 1.00 51.10 N flip ATOM 0 H GLN A 145 14.064 2.991 -11.257 1.00 5.22 H new ATOM 0 HA GLN A 145 16.700 2.168 -10.345 1.00 11.03 H new ATOM 0 HB2 GLN A 145 14.719 4.274 -9.330 1.00 71.05 H new ATOM 0 HB3 GLN A 145 16.369 4.099 -8.765 1.00 71.05 H new ATOM 0 HG2 GLN A 145 17.230 4.711 -11.004 1.00 62.32 H new ATOM 0 HG3 GLN A 145 15.594 4.814 -11.626 1.00 62.32 H new ATOM 0 HE21 GLN A 145 17.723 6.947 -11.333 1.00 51.10 H new ATOM 0 HE22 GLN A 145 16.868 8.237 -10.481 1.00 51.10 H new ATOM 2452 N THR A 146 15.447 0.276 -8.961 1.00 42.22 N ATOM 2453 CA THR A 146 15.286 -0.667 -7.832 1.00 4.30 C ATOM 2454 C THR A 146 16.691 -1.062 -7.312 1.00 0.31 C ATOM 2455 O THR A 146 16.932 -2.174 -6.829 1.00 23.01 O ATOM 2456 CB THR A 146 14.403 -1.899 -8.251 1.00 74.22 C ATOM 2457 OG1 THR A 146 14.124 -2.737 -7.114 1.00 22.24 O ATOM 2458 CG2 THR A 146 15.030 -2.742 -9.381 1.00 3.24 C ATOM 0 H THR A 146 15.676 -0.177 -9.846 1.00 42.22 H new ATOM 0 HA THR A 146 14.749 -0.192 -7.011 1.00 4.30 H new ATOM 0 HB THR A 146 13.473 -1.485 -8.640 1.00 74.22 H new ATOM 0 HG1 THR A 146 14.941 -2.854 -6.586 1.00 22.24 H new ATOM 0 HG21 THR A 146 14.370 -3.576 -9.622 1.00 3.24 H new ATOM 0 HG22 THR A 146 15.167 -2.120 -10.266 1.00 3.24 H new ATOM 0 HG23 THR A 146 15.996 -3.127 -9.055 1.00 3.24 H new ATOM 2466 N GLU A 147 17.596 -0.073 -7.366 1.00 62.12 N ATOM 2467 CA GLU A 147 19.002 -0.214 -6.960 1.00 23.44 C ATOM 2468 C GLU A 147 19.126 -0.402 -5.428 1.00 54.22 C ATOM 2469 O GLU A 147 19.939 -1.199 -4.963 1.00 72.14 O ATOM 2470 CB GLU A 147 19.865 1.010 -7.462 1.00 25.45 C ATOM 2471 CG GLU A 147 19.142 2.380 -7.570 1.00 31.32 C ATOM 2472 CD GLU A 147 18.560 2.909 -6.240 1.00 21.41 C ATOM 2473 OE1 GLU A 147 19.315 3.506 -5.452 1.00 44.32 O ATOM 2474 OE2 GLU A 147 17.352 2.714 -5.970 1.00 64.34 O ATOM 0 H GLU A 147 17.367 0.864 -7.699 1.00 62.12 H new ATOM 0 HA GLU A 147 19.397 -1.112 -7.434 1.00 23.44 H new ATOM 0 HB2 GLU A 147 20.714 1.126 -6.788 1.00 25.45 H new ATOM 0 HB3 GLU A 147 20.269 0.761 -8.443 1.00 25.45 H new ATOM 0 HG2 GLU A 147 19.844 3.116 -7.962 1.00 31.32 H new ATOM 0 HG3 GLU A 147 18.333 2.293 -8.296 1.00 31.32 H new ATOM 2481 N LYS A 148 18.282 0.304 -4.665 1.00 4.32 N ATOM 2482 CA LYS A 148 18.348 0.340 -3.208 1.00 13.40 C ATOM 2483 C LYS A 148 17.012 0.852 -2.654 1.00 2.02 C ATOM 2484 O LYS A 148 16.136 0.057 -2.299 1.00 22.24 O ATOM 2485 CB LYS A 148 19.558 1.225 -2.739 1.00 13.33 C ATOM 2486 CG LYS A 148 19.808 1.336 -1.209 1.00 32.12 C ATOM 2487 CD LYS A 148 20.351 0.030 -0.553 1.00 62.31 C ATOM 2488 CE LYS A 148 19.258 -0.995 -0.188 1.00 70.24 C ATOM 2489 NZ LYS A 148 19.831 -2.255 0.366 1.00 30.24 N ATOM 0 H LYS A 148 17.527 0.871 -5.052 1.00 4.32 H new ATOM 0 HA LYS A 148 18.516 -0.664 -2.818 1.00 13.40 H new ATOM 0 HB2 LYS A 148 20.463 0.831 -3.201 1.00 13.33 H new ATOM 0 HB3 LYS A 148 19.412 2.232 -3.131 1.00 13.33 H new ATOM 0 HG2 LYS A 148 20.517 2.143 -1.026 1.00 32.12 H new ATOM 0 HG3 LYS A 148 18.875 1.614 -0.719 1.00 32.12 H new ATOM 0 HD2 LYS A 148 21.060 -0.439 -1.236 1.00 62.31 H new ATOM 0 HD3 LYS A 148 20.903 0.292 0.349 1.00 62.31 H new ATOM 0 HE2 LYS A 148 18.579 -0.555 0.542 1.00 70.24 H new ATOM 0 HE3 LYS A 148 18.667 -1.225 -1.075 1.00 70.24 H new ATOM 0 HZ1 LYS A 148 19.061 -2.914 0.597 1.00 30.24 H new ATOM 0 HZ2 LYS A 148 20.459 -2.690 -0.339 1.00 30.24 H new ATOM 0 HZ3 LYS A 148 20.373 -2.041 1.227 1.00 30.24 H new ATOM 2503 N LEU A 149 16.859 2.185 -2.638 1.00 53.24 N ATOM 2504 CA LEU A 149 15.712 2.887 -2.050 1.00 55.22 C ATOM 2505 C LEU A 149 15.621 4.275 -2.709 1.00 75.45 C ATOM 2506 O LEU A 149 15.794 5.303 -2.035 1.00 12.14 O ATOM 2507 CB LEU A 149 15.862 3.028 -0.484 1.00 55.45 C ATOM 2508 CG LEU A 149 15.619 1.756 0.405 1.00 50.00 C ATOM 2509 CD1 LEU A 149 15.907 2.061 1.896 1.00 13.10 C ATOM 2510 CD2 LEU A 149 14.182 1.208 0.213 1.00 54.13 C ATOM 0 H LEU A 149 17.548 2.819 -3.044 1.00 53.24 H new ATOM 0 HA LEU A 149 14.802 2.316 -2.231 1.00 55.22 H new ATOM 0 HB2 LEU A 149 16.869 3.390 -0.278 1.00 55.45 H new ATOM 0 HB3 LEU A 149 15.171 3.803 -0.152 1.00 55.45 H new ATOM 0 HG LEU A 149 16.314 0.982 0.082 1.00 50.00 H new ATOM 0 HD11 LEU A 149 15.732 1.165 2.491 1.00 13.10 H new ATOM 0 HD12 LEU A 149 16.945 2.375 2.009 1.00 13.10 H new ATOM 0 HD13 LEU A 149 15.248 2.859 2.238 1.00 13.10 H new ATOM 0 HD21 LEU A 149 14.041 0.328 0.840 1.00 54.13 H new ATOM 0 HD22 LEU A 149 13.460 1.974 0.496 1.00 54.13 H new ATOM 0 HD23 LEU A 149 14.033 0.937 -0.832 1.00 54.13 H new ATOM 2522 N ALA A 150 15.438 4.308 -4.045 1.00 70.44 N ATOM 2523 CA ALA A 150 15.240 5.573 -4.777 1.00 70.43 C ATOM 2524 C ALA A 150 13.934 6.255 -4.298 1.00 72.42 C ATOM 2525 O ALA A 150 12.890 5.588 -4.264 1.00 74.33 O ATOM 2526 CB ALA A 150 15.213 5.346 -6.293 1.00 4.42 C ATOM 0 H ALA A 150 15.423 3.476 -4.635 1.00 70.44 H new ATOM 0 HA ALA A 150 16.083 6.230 -4.564 1.00 70.43 H new ATOM 0 HB1 ALA A 150 15.065 6.299 -6.801 1.00 4.42 H new ATOM 0 HB2 ALA A 150 16.158 4.907 -6.612 1.00 4.42 H new ATOM 0 HB3 ALA A 150 14.396 4.670 -6.545 1.00 4.42 H new ATOM 2532 N PRO A 151 13.988 7.567 -3.869 1.00 3.31 N ATOM 2533 CA PRO A 151 12.801 8.311 -3.364 1.00 60.14 C ATOM 2534 C PRO A 151 11.586 8.202 -4.290 1.00 45.54 C ATOM 2535 O PRO A 151 10.507 7.786 -3.866 1.00 12.34 O ATOM 2536 CB PRO A 151 13.304 9.774 -3.288 1.00 14.44 C ATOM 2537 CG PRO A 151 14.770 9.647 -3.035 1.00 63.32 C ATOM 2538 CD PRO A 151 15.212 8.420 -3.811 1.00 60.11 C ATOM 0 HA PRO A 151 12.451 7.913 -2.411 1.00 60.14 H new ATOM 0 HB2 PRO A 151 13.105 10.312 -4.215 1.00 14.44 H new ATOM 0 HB3 PRO A 151 12.808 10.324 -2.488 1.00 14.44 H new ATOM 0 HG2 PRO A 151 15.304 10.536 -3.370 1.00 63.32 H new ATOM 0 HG3 PRO A 151 14.976 9.533 -1.971 1.00 63.32 H new ATOM 0 HD2 PRO A 151 15.562 8.684 -4.809 1.00 60.11 H new ATOM 0 HD3 PRO A 151 16.033 7.906 -3.311 1.00 60.11 H new ATOM 2546 N GLY A 152 11.808 8.534 -5.569 1.00 51.42 N ATOM 2547 CA GLY A 152 10.752 8.507 -6.556 1.00 65.32 C ATOM 2548 C GLY A 152 11.035 9.408 -7.733 1.00 54.03 C ATOM 2549 O GLY A 152 11.926 10.262 -7.675 1.00 74.25 O ATOM 0 H GLY A 152 12.716 8.823 -5.932 1.00 51.42 H new ATOM 0 HA2 GLY A 152 10.616 7.485 -6.910 1.00 65.32 H new ATOM 0 HA3 GLY A 152 9.815 8.809 -6.089 1.00 65.32 H new ATOM 2553 N CYS A 153 10.267 9.211 -8.793 1.00 63.55 N ATOM 2554 CA CYS A 153 10.350 9.993 -10.035 1.00 43.11 C ATOM 2555 C CYS A 153 9.156 10.947 -10.149 1.00 62.13 C ATOM 2556 O CYS A 153 9.268 12.031 -10.740 1.00 74.23 O ATOM 2557 CB CYS A 153 10.378 9.001 -11.207 1.00 75.22 C ATOM 2558 SG CYS A 153 9.199 7.644 -10.997 1.00 70.23 S ATOM 0 H CYS A 153 9.549 8.488 -8.823 1.00 63.55 H new ATOM 0 HA CYS A 153 11.252 10.606 -10.043 1.00 43.11 H new ATOM 0 HB2 CYS A 153 10.155 9.531 -12.133 1.00 75.22 H new ATOM 0 HB3 CYS A 153 11.383 8.592 -11.308 1.00 75.22 H new ATOM 0 HG CYS A 153 8.636 7.378 -12.138 1.00 70.23 H new ATOM 2563 N GLU A 154 8.017 10.536 -9.571 1.00 61.32 N ATOM 2564 CA GLU A 154 6.773 11.317 -9.584 1.00 23.34 C ATOM 2565 C GLU A 154 6.505 11.844 -8.171 1.00 72.34 C ATOM 2566 O GLU A 154 6.725 11.118 -7.214 1.00 15.41 O ATOM 2567 CB GLU A 154 5.599 10.424 -10.067 1.00 35.55 C ATOM 2568 CG GLU A 154 4.249 11.152 -10.200 1.00 22.20 C ATOM 2569 CD GLU A 154 4.264 12.240 -11.291 1.00 21.40 C ATOM 2570 OE1 GLU A 154 4.633 13.404 -10.993 1.00 3.34 O ATOM 2571 OE2 GLU A 154 3.927 11.935 -12.455 1.00 62.31 O ATOM 0 H GLU A 154 7.934 9.647 -9.079 1.00 61.32 H new ATOM 0 HA GLU A 154 6.866 12.160 -10.269 1.00 23.34 H new ATOM 0 HB2 GLU A 154 5.861 9.994 -11.034 1.00 35.55 H new ATOM 0 HB3 GLU A 154 5.482 9.594 -9.370 1.00 35.55 H new ATOM 0 HG2 GLU A 154 3.470 10.425 -10.429 1.00 22.20 H new ATOM 0 HG3 GLU A 154 3.990 11.606 -9.244 1.00 22.20 H new ATOM 2578 N LYS A 155 6.022 13.100 -8.036 1.00 34.21 N ATOM 2579 CA LYS A 155 5.791 13.691 -6.706 1.00 20.04 C ATOM 2580 C LYS A 155 4.529 13.093 -6.051 1.00 60.52 C ATOM 2581 O LYS A 155 3.555 12.761 -6.740 1.00 12.44 O ATOM 2582 CB LYS A 155 5.780 15.255 -6.755 1.00 32.02 C ATOM 2583 CG LYS A 155 4.668 15.975 -7.575 1.00 13.21 C ATOM 2584 CD LYS A 155 3.320 16.129 -6.816 1.00 32.32 C ATOM 2585 CE LYS A 155 2.401 17.200 -7.435 1.00 74.11 C ATOM 2586 NZ LYS A 155 2.056 16.931 -8.855 1.00 75.45 N ATOM 0 H LYS A 155 5.789 13.711 -8.819 1.00 34.21 H new ATOM 0 HA LYS A 155 6.632 13.426 -6.065 1.00 20.04 H new ATOM 0 HB2 LYS A 155 5.719 15.616 -5.728 1.00 32.02 H new ATOM 0 HB3 LYS A 155 6.743 15.579 -7.150 1.00 32.02 H new ATOM 0 HG2 LYS A 155 5.026 16.964 -7.863 1.00 13.21 H new ATOM 0 HG3 LYS A 155 4.493 15.419 -8.496 1.00 13.21 H new ATOM 0 HD2 LYS A 155 2.800 15.171 -6.811 1.00 32.32 H new ATOM 0 HD3 LYS A 155 3.522 16.388 -5.777 1.00 32.32 H new ATOM 0 HE2 LYS A 155 1.483 17.262 -6.851 1.00 74.11 H new ATOM 0 HE3 LYS A 155 2.889 18.172 -7.365 1.00 74.11 H new ATOM 0 HZ1 LYS A 155 1.437 17.687 -9.211 1.00 75.45 H new ATOM 0 HZ2 LYS A 155 2.926 16.899 -9.424 1.00 75.45 H new ATOM 0 HZ3 LYS A 155 1.563 16.018 -8.926 1.00 75.45 H new ATOM 2600 N TYR A 156 4.577 12.923 -4.724 1.00 30.42 N ATOM 2601 CA TYR A 156 3.482 12.352 -3.932 1.00 51.42 C ATOM 2602 C TYR A 156 2.625 13.469 -3.319 1.00 35.22 C ATOM 2603 O TYR A 156 3.157 14.457 -2.793 1.00 12.23 O ATOM 2604 CB TYR A 156 4.076 11.452 -2.811 1.00 73.53 C ATOM 2605 CG TYR A 156 3.043 10.919 -1.788 1.00 62.51 C ATOM 2606 CD1 TYR A 156 1.985 10.096 -2.193 1.00 43.32 C ATOM 2607 CD2 TYR A 156 3.119 11.252 -0.430 1.00 11.20 C ATOM 2608 CE1 TYR A 156 1.050 9.637 -1.287 1.00 3.34 C ATOM 2609 CE2 TYR A 156 2.184 10.791 0.473 1.00 14.22 C ATOM 2610 CZ TYR A 156 1.155 9.983 0.044 1.00 1.14 C ATOM 2611 OH TYR A 156 0.223 9.525 0.951 1.00 32.23 O ATOM 0 H TYR A 156 5.389 13.182 -4.163 1.00 30.42 H new ATOM 0 HA TYR A 156 2.845 11.751 -4.580 1.00 51.42 H new ATOM 0 HB2 TYR A 156 4.578 10.603 -3.275 1.00 73.53 H new ATOM 0 HB3 TYR A 156 4.837 12.019 -2.275 1.00 73.53 H new ATOM 0 HD1 TYR A 156 1.899 9.815 -3.232 1.00 43.32 H new ATOM 0 HD2 TYR A 156 3.925 11.882 -0.083 1.00 11.20 H new ATOM 0 HE1 TYR A 156 0.238 9.008 -1.620 1.00 3.34 H new ATOM 0 HE2 TYR A 156 2.259 11.063 1.515 1.00 14.22 H new ATOM 0 HH TYR A 156 -0.308 8.811 0.542 1.00 32.23 H new ATOM 2621 N ASN A 157 1.294 13.287 -3.379 1.00 72.21 N ATOM 2622 CA ASN A 157 0.331 14.186 -2.736 1.00 50.22 C ATOM 2623 C ASN A 157 -0.128 13.583 -1.406 1.00 44.43 C ATOM 2624 O ASN A 157 -0.920 12.635 -1.384 1.00 33.05 O ATOM 2625 CB ASN A 157 -0.889 14.430 -3.653 1.00 4.42 C ATOM 2626 CG ASN A 157 -0.553 15.063 -5.003 1.00 12.30 C ATOM 2627 OD1 ASN A 157 0.378 15.855 -5.124 1.00 12.33 O ATOM 2628 ND2 ASN A 157 -1.323 14.720 -6.019 1.00 75.34 N ATOM 0 H ASN A 157 0.859 12.510 -3.877 1.00 72.21 H new ATOM 0 HA ASN A 157 0.818 15.143 -2.552 1.00 50.22 H new ATOM 0 HB2 ASN A 157 -1.392 13.479 -3.828 1.00 4.42 H new ATOM 0 HB3 ASN A 157 -1.597 15.074 -3.131 1.00 4.42 H new ATOM 0 HD21 ASN A 157 -1.154 15.116 -6.944 1.00 75.34 H new ATOM 0 HD22 ASN A 157 -2.087 14.059 -5.879 1.00 75.34 H new ATOM 2635 N LEU A 158 0.421 14.096 -0.303 1.00 73.55 N ATOM 2636 CA LEU A 158 -0.045 13.763 1.043 1.00 13.14 C ATOM 2637 C LEU A 158 -1.290 14.606 1.346 1.00 14.23 C ATOM 2638 O LEU A 158 -2.393 14.081 1.553 1.00 33.22 O ATOM 2639 CB LEU A 158 1.082 14.045 2.065 1.00 52.01 C ATOM 2640 CG LEU A 158 0.779 13.654 3.540 1.00 12.42 C ATOM 2641 CD1 LEU A 158 0.673 12.117 3.704 1.00 62.43 C ATOM 2642 CD2 LEU A 158 1.828 14.268 4.489 1.00 50.54 C ATOM 0 H LEU A 158 1.201 14.754 -0.319 1.00 73.55 H new ATOM 0 HA LEU A 158 -0.304 12.706 1.111 1.00 13.14 H new ATOM 0 HB2 LEU A 158 1.977 13.512 1.745 1.00 52.01 H new ATOM 0 HB3 LEU A 158 1.316 15.109 2.033 1.00 52.01 H new ATOM 0 HG LEU A 158 -0.192 14.066 3.813 1.00 12.42 H new ATOM 0 HD11 LEU A 158 0.461 11.876 4.746 1.00 62.43 H new ATOM 0 HD12 LEU A 158 -0.131 11.738 3.073 1.00 62.43 H new ATOM 0 HD13 LEU A 158 1.615 11.654 3.409 1.00 62.43 H new ATOM 0 HD21 LEU A 158 1.600 13.984 5.516 1.00 50.54 H new ATOM 0 HD22 LEU A 158 2.819 13.901 4.222 1.00 50.54 H new ATOM 0 HD23 LEU A 158 1.808 15.354 4.400 1.00 50.54 H new ATOM 2654 N PHE A 159 -1.088 15.935 1.337 1.00 53.30 N ATOM 2655 CA PHE A 159 -2.156 16.920 1.521 1.00 34.25 C ATOM 2656 C PHE A 159 -2.735 17.345 0.165 1.00 13.22 C ATOM 2657 O PHE A 159 -2.341 18.367 -0.413 1.00 15.32 O ATOM 2658 CB PHE A 159 -1.642 18.150 2.320 1.00 40.20 C ATOM 2659 CG PHE A 159 -1.344 17.857 3.792 1.00 51.34 C ATOM 2660 CD1 PHE A 159 -2.391 17.697 4.702 1.00 62.14 C ATOM 2661 CD2 PHE A 159 -0.038 17.732 4.264 1.00 60.25 C ATOM 2662 CE1 PHE A 159 -2.142 17.427 6.033 1.00 54.11 C ATOM 2663 CE2 PHE A 159 0.210 17.458 5.595 1.00 52.01 C ATOM 2664 CZ PHE A 159 -0.843 17.305 6.478 1.00 0.34 C ATOM 0 H PHE A 159 -0.168 16.355 1.200 1.00 53.30 H new ATOM 0 HA PHE A 159 -2.955 16.457 2.100 1.00 34.25 H new ATOM 0 HB2 PHE A 159 -0.736 18.526 1.845 1.00 40.20 H new ATOM 0 HB3 PHE A 159 -2.386 18.945 2.262 1.00 40.20 H new ATOM 0 HD1 PHE A 159 -3.411 17.786 4.359 1.00 62.14 H new ATOM 0 HD2 PHE A 159 0.790 17.851 3.581 1.00 60.25 H new ATOM 0 HE1 PHE A 159 -2.964 17.312 6.724 1.00 54.11 H new ATOM 0 HE2 PHE A 159 1.227 17.363 5.946 1.00 52.01 H new ATOM 0 HZ PHE A 159 -0.647 17.090 7.518 1.00 0.34 H new