USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 576 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 28 SER OG : rot -30:sc= 0.549 USER MOD Set 1.2: A 30 ASN : amide:sc= -3.35! C(o=-2.8!,f=-1.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=0.56) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -163:sc= 0 (180deg=-0.0378) USER MOD Single : A 62 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 68 THR OG1 : rot 73:sc= 0.173 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -120:sc= -0.0269 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N LYS A 13 -0.904 4.091 -3.758 1.00 54.44 N ATOM 178 CA LYS A 13 -1.093 4.473 -5.152 1.00 52.51 C ATOM 179 C LYS A 13 -1.269 3.241 -6.036 1.00 24.24 C ATOM 180 O LYS A 13 -1.977 3.282 -7.043 1.00 22.13 O ATOM 181 CB LYS A 13 0.098 5.299 -5.643 1.00 10.34 C ATOM 182 CG LYS A 13 -0.147 6.798 -5.609 1.00 42.42 C ATOM 183 CD LYS A 13 1.144 7.578 -5.797 1.00 13.14 C ATOM 184 CE LYS A 13 0.923 8.823 -6.644 1.00 63.23 C ATOM 185 NZ LYS A 13 1.126 8.551 -8.093 1.00 5.40 N ATOM 0 HA LYS A 13 -1.998 5.077 -5.216 1.00 52.51 H new ATOM 0 HB2 LYS A 13 0.968 5.067 -5.029 1.00 10.34 H new ATOM 0 HB3 LYS A 13 0.340 5.002 -6.663 1.00 10.34 H new ATOM 0 HG2 LYS A 13 -0.855 7.070 -6.392 1.00 42.42 H new ATOM 0 HG3 LYS A 13 -0.603 7.072 -4.658 1.00 42.42 H new ATOM 0 HD2 LYS A 13 1.543 7.864 -4.824 1.00 13.14 H new ATOM 0 HD3 LYS A 13 1.890 6.941 -6.272 1.00 13.14 H new ATOM 0 HE2 LYS A 13 -0.088 9.197 -6.483 1.00 63.23 H new ATOM 0 HE3 LYS A 13 1.608 9.607 -6.322 1.00 63.23 H new ATOM 0 HZ1 LYS A 13 0.966 9.424 -8.636 1.00 5.40 H new ATOM 0 HZ2 LYS A 13 2.099 8.218 -8.251 1.00 5.40 H new ATOM 0 HZ3 LYS A 13 0.455 7.821 -8.406 1.00 5.40 H new ATOM 199 N LEU A 14 -0.621 2.147 -5.652 1.00 2.20 N ATOM 200 CA LEU A 14 -0.706 0.903 -6.408 1.00 35.01 C ATOM 201 C LEU A 14 -2.070 0.247 -6.225 1.00 35.14 C ATOM 202 O LEU A 14 -2.766 -0.045 -7.198 1.00 10.52 O ATOM 203 CB LEU A 14 0.398 -0.061 -5.968 1.00 12.32 C ATOM 204 CG LEU A 14 1.590 -0.193 -6.917 1.00 62.31 C ATOM 205 CD1 LEU A 14 2.138 1.179 -7.279 1.00 52.42 C ATOM 206 CD2 LEU A 14 2.677 -1.055 -6.291 1.00 1.12 C ATOM 0 H LEU A 14 -0.031 2.096 -4.822 1.00 2.20 H new ATOM 0 HA LEU A 14 -0.575 1.139 -7.464 1.00 35.01 H new ATOM 0 HB2 LEU A 14 0.768 0.261 -4.995 1.00 12.32 H new ATOM 0 HB3 LEU A 14 -0.043 -1.048 -5.830 1.00 12.32 H new ATOM 0 HG LEU A 14 1.250 -0.679 -7.832 1.00 62.31 H new ATOM 0 HD11 LEU A 14 2.986 1.066 -7.955 1.00 52.42 H new ATOM 0 HD12 LEU A 14 1.359 1.764 -7.768 1.00 52.42 H new ATOM 0 HD13 LEU A 14 2.462 1.692 -6.373 1.00 52.42 H new ATOM 0 HD21 LEU A 14 3.517 -1.138 -6.980 1.00 1.12 H new ATOM 0 HD22 LEU A 14 3.014 -0.597 -5.361 1.00 1.12 H new ATOM 0 HD23 LEU A 14 2.279 -2.048 -6.083 1.00 1.12 H new ATOM 218 N TYR A 15 -2.450 0.021 -4.972 1.00 63.42 N ATOM 219 CA TYR A 15 -3.732 -0.600 -4.662 1.00 72.55 C ATOM 220 C TYR A 15 -4.883 0.196 -5.266 1.00 14.42 C ATOM 221 O TYR A 15 -5.734 -0.352 -5.968 1.00 41.13 O ATOM 222 CB TYR A 15 -3.914 -0.713 -3.147 1.00 41.52 C ATOM 223 CG TYR A 15 -5.232 -1.334 -2.740 1.00 44.21 C ATOM 224 CD1 TYR A 15 -6.391 -0.570 -2.676 1.00 20.21 C ATOM 225 CD2 TYR A 15 -5.317 -2.683 -2.421 1.00 53.44 C ATOM 226 CE1 TYR A 15 -7.596 -1.133 -2.303 1.00 13.22 C ATOM 227 CE2 TYR A 15 -6.519 -3.255 -2.050 1.00 1.41 C ATOM 228 CZ TYR A 15 -7.656 -2.476 -1.992 1.00 43.42 C ATOM 229 OH TYR A 15 -8.854 -3.040 -1.622 1.00 14.21 O ATOM 0 H TYR A 15 -1.888 0.259 -4.155 1.00 63.42 H new ATOM 0 HA TYR A 15 -3.738 -1.599 -5.098 1.00 72.55 H new ATOM 0 HB2 TYR A 15 -3.099 -1.308 -2.735 1.00 41.52 H new ATOM 0 HB3 TYR A 15 -3.838 0.281 -2.705 1.00 41.52 H new ATOM 0 HD1 TYR A 15 -6.349 0.481 -2.922 1.00 20.21 H new ATOM 0 HD2 TYR A 15 -4.428 -3.295 -2.464 1.00 53.44 H new ATOM 0 HE1 TYR A 15 -8.487 -0.525 -2.255 1.00 13.22 H new ATOM 0 HE2 TYR A 15 -6.568 -4.306 -1.807 1.00 1.41 H new ATOM 0 HH TYR A 15 -8.724 -3.994 -1.438 1.00 14.21 H new ATOM 239 N LYS A 16 -4.905 1.496 -4.988 1.00 73.34 N ATOM 240 CA LYS A 16 -5.951 2.371 -5.505 1.00 4.25 C ATOM 241 C LYS A 16 -5.966 2.361 -7.030 1.00 63.35 C ATOM 242 O LYS A 16 -7.016 2.522 -7.651 1.00 21.21 O ATOM 243 CB LYS A 16 -5.744 3.800 -4.997 1.00 5.45 C ATOM 244 CG LYS A 16 -4.900 4.659 -5.923 1.00 64.22 C ATOM 245 CD LYS A 16 -4.431 5.928 -5.232 1.00 44.11 C ATOM 246 CE LYS A 16 -3.642 6.820 -6.180 1.00 35.35 C ATOM 247 NZ LYS A 16 -4.517 7.816 -6.860 1.00 63.32 N ATOM 0 H LYS A 16 -4.210 1.966 -4.408 1.00 73.34 H new ATOM 0 HA LYS A 16 -6.911 1.998 -5.148 1.00 4.25 H new ATOM 0 HB2 LYS A 16 -6.717 4.273 -4.862 1.00 5.45 H new ATOM 0 HB3 LYS A 16 -5.269 3.763 -4.017 1.00 5.45 H new ATOM 0 HG2 LYS A 16 -4.036 4.088 -6.263 1.00 64.22 H new ATOM 0 HG3 LYS A 16 -5.480 4.919 -6.809 1.00 64.22 H new ATOM 0 HD2 LYS A 16 -5.293 6.475 -4.849 1.00 44.11 H new ATOM 0 HD3 LYS A 16 -3.811 5.669 -4.374 1.00 44.11 H new ATOM 0 HE2 LYS A 16 -2.862 7.341 -5.624 1.00 35.35 H new ATOM 0 HE3 LYS A 16 -3.143 6.204 -6.928 1.00 35.35 H new ATOM 0 HZ1 LYS A 16 -3.943 8.405 -7.497 1.00 63.32 H new ATOM 0 HZ2 LYS A 16 -5.246 7.319 -7.411 1.00 63.32 H new ATOM 0 HZ3 LYS A 16 -4.974 8.421 -6.148 1.00 63.32 H new ATOM 261 N ASP A 17 -4.794 2.167 -7.627 1.00 11.23 N ATOM 262 CA ASP A 17 -4.674 2.132 -9.080 1.00 63.02 C ATOM 263 C ASP A 17 -5.227 0.825 -9.639 1.00 53.35 C ATOM 264 O ASP A 17 -5.664 0.766 -10.788 1.00 53.53 O ATOM 265 CB ASP A 17 -3.212 2.301 -9.496 1.00 23.20 C ATOM 266 CG ASP A 17 -2.822 3.756 -9.664 1.00 62.31 C ATOM 267 OD1 ASP A 17 -3.365 4.604 -8.926 1.00 25.55 O ATOM 268 OD2 ASP A 17 -1.974 4.047 -10.535 1.00 34.24 O ATOM 0 H ASP A 17 -3.915 2.032 -7.127 1.00 11.23 H new ATOM 0 HA ASP A 17 -5.258 2.957 -9.489 1.00 63.02 H new ATOM 0 HB2 ASP A 17 -2.569 1.840 -8.747 1.00 23.20 H new ATOM 0 HB3 ASP A 17 -3.040 1.771 -10.433 1.00 23.20 H new ATOM 273 N GLY A 18 -5.204 -0.221 -8.819 1.00 53.41 N ATOM 274 CA GLY A 18 -5.705 -1.513 -9.251 1.00 34.44 C ATOM 275 C GLY A 18 -4.645 -2.594 -9.193 1.00 71.31 C ATOM 276 O GLY A 18 -4.763 -3.627 -9.854 1.00 42.32 O ATOM 0 H GLY A 18 -4.848 -0.197 -7.864 1.00 53.41 H new ATOM 0 HA2 GLY A 18 -6.548 -1.801 -8.623 1.00 34.44 H new ATOM 0 HA3 GLY A 18 -6.081 -1.431 -10.271 1.00 34.44 H new ATOM 280 N VAL A 19 -3.603 -2.359 -8.401 1.00 35.14 N ATOM 281 CA VAL A 19 -2.517 -3.321 -8.259 1.00 51.12 C ATOM 282 C VAL A 19 -2.826 -4.343 -7.172 1.00 22.04 C ATOM 283 O VAL A 19 -3.251 -4.002 -6.067 1.00 4.12 O ATOM 284 CB VAL A 19 -1.186 -2.620 -7.927 1.00 10.13 C ATOM 285 CG1 VAL A 19 -0.058 -3.635 -7.830 1.00 31.30 C ATOM 286 CG2 VAL A 19 -0.871 -1.557 -8.968 1.00 24.42 C ATOM 0 H VAL A 19 -3.489 -1.510 -7.848 1.00 35.14 H new ATOM 0 HA VAL A 19 -2.420 -3.833 -9.217 1.00 51.12 H new ATOM 0 HB VAL A 19 -1.284 -2.129 -6.959 1.00 10.13 H new ATOM 0 HG11 VAL A 19 0.874 -3.122 -7.595 1.00 31.30 H new ATOM 0 HG12 VAL A 19 -0.284 -4.356 -7.044 1.00 31.30 H new ATOM 0 HG13 VAL A 19 0.045 -4.157 -8.782 1.00 31.30 H new ATOM 0 HG21 VAL A 19 0.072 -1.072 -8.718 1.00 24.42 H new ATOM 0 HG22 VAL A 19 -0.791 -2.022 -9.950 1.00 24.42 H new ATOM 0 HG23 VAL A 19 -1.669 -0.814 -8.982 1.00 24.42 H new ATOM 296 N PRO A 20 -2.609 -5.628 -7.487 1.00 50.44 N ATOM 297 CA PRO A 20 -2.857 -6.727 -6.550 1.00 52.12 C ATOM 298 C PRO A 20 -1.860 -6.741 -5.397 1.00 2.01 C ATOM 299 O PRO A 20 -0.707 -6.339 -5.555 1.00 62.21 O ATOM 300 CB PRO A 20 -2.689 -7.978 -7.417 1.00 43.23 C ATOM 301 CG PRO A 20 -1.786 -7.553 -8.524 1.00 32.53 C ATOM 302 CD PRO A 20 -2.104 -6.107 -8.785 1.00 51.23 C ATOM 0 HA PRO A 20 -3.836 -6.647 -6.078 1.00 52.12 H new ATOM 0 HB2 PRO A 20 -2.256 -8.800 -6.847 1.00 43.23 H new ATOM 0 HB3 PRO A 20 -3.648 -8.326 -7.800 1.00 43.23 H new ATOM 0 HG2 PRO A 20 -0.740 -7.678 -8.244 1.00 32.53 H new ATOM 0 HG3 PRO A 20 -1.952 -8.156 -9.416 1.00 32.53 H new ATOM 0 HD2 PRO A 20 -1.221 -5.552 -9.102 1.00 51.23 H new ATOM 0 HD3 PRO A 20 -2.850 -5.995 -9.572 1.00 51.23 H new ATOM 310 N VAL A 21 -2.310 -7.206 -4.236 1.00 13.30 N ATOM 311 CA VAL A 21 -1.457 -7.274 -3.056 1.00 3.03 C ATOM 312 C VAL A 21 -0.121 -7.933 -3.381 1.00 1.11 C ATOM 313 O VAL A 21 0.939 -7.427 -3.014 1.00 63.14 O ATOM 314 CB VAL A 21 -2.138 -8.053 -1.915 1.00 63.22 C ATOM 315 CG1 VAL A 21 -1.219 -8.142 -0.706 1.00 43.23 C ATOM 316 CG2 VAL A 21 -3.461 -7.404 -1.542 1.00 14.23 C ATOM 0 H VAL A 21 -3.262 -7.542 -4.088 1.00 13.30 H new ATOM 0 HA VAL A 21 -1.283 -6.248 -2.731 1.00 3.03 H new ATOM 0 HB VAL A 21 -2.342 -9.066 -2.262 1.00 63.22 H new ATOM 0 HG11 VAL A 21 -1.717 -8.696 0.090 1.00 43.23 H new ATOM 0 HG12 VAL A 21 -0.299 -8.656 -0.985 1.00 43.23 H new ATOM 0 HG13 VAL A 21 -0.981 -7.138 -0.355 1.00 43.23 H new ATOM 0 HG21 VAL A 21 -3.928 -7.968 -0.734 1.00 14.23 H new ATOM 0 HG22 VAL A 21 -3.284 -6.380 -1.214 1.00 14.23 H new ATOM 0 HG23 VAL A 21 -4.121 -7.399 -2.409 1.00 14.23 H new ATOM 326 N LYS A 22 -0.180 -9.066 -4.072 1.00 42.50 N ATOM 327 CA LYS A 22 1.025 -9.795 -4.450 1.00 71.13 C ATOM 328 C LYS A 22 2.013 -8.880 -5.165 1.00 41.24 C ATOM 329 O LYS A 22 3.221 -8.955 -4.935 1.00 13.03 O ATOM 330 CB LYS A 22 0.668 -10.981 -5.349 1.00 52.11 C ATOM 331 CG LYS A 22 -0.090 -10.585 -6.604 1.00 52.25 C ATOM 332 CD LYS A 22 0.845 -10.418 -7.791 1.00 1.01 C ATOM 333 CE LYS A 22 1.075 -11.738 -8.510 1.00 11.23 C ATOM 334 NZ LYS A 22 2.484 -12.203 -8.380 1.00 33.45 N ATOM 0 H LYS A 22 -1.050 -9.500 -4.382 1.00 42.50 H new ATOM 0 HA LYS A 22 1.495 -10.166 -3.539 1.00 71.13 H new ATOM 0 HB2 LYS A 22 1.584 -11.498 -5.636 1.00 52.11 H new ATOM 0 HB3 LYS A 22 0.067 -11.690 -4.780 1.00 52.11 H new ATOM 0 HG2 LYS A 22 -0.838 -11.344 -6.833 1.00 52.25 H new ATOM 0 HG3 LYS A 22 -0.626 -9.652 -6.428 1.00 52.25 H new ATOM 0 HD2 LYS A 22 0.425 -9.692 -8.487 1.00 1.01 H new ATOM 0 HD3 LYS A 22 1.800 -10.017 -7.450 1.00 1.01 H new ATOM 0 HE2 LYS A 22 0.404 -12.495 -8.103 1.00 11.23 H new ATOM 0 HE3 LYS A 22 0.826 -11.625 -9.565 1.00 11.23 H new ATOM 0 HZ1 LYS A 22 2.600 -13.106 -8.884 1.00 33.45 H new ATOM 0 HZ2 LYS A 22 3.123 -11.493 -8.791 1.00 33.45 H new ATOM 0 HZ3 LYS A 22 2.714 -12.336 -7.375 1.00 33.45 H new ATOM 348 N GLU A 23 1.493 -8.018 -6.033 1.00 63.04 N ATOM 349 CA GLU A 23 2.332 -7.089 -6.781 1.00 31.13 C ATOM 350 C GLU A 23 2.771 -5.923 -5.901 1.00 5.04 C ATOM 351 O GLU A 23 3.935 -5.523 -5.916 1.00 4.51 O ATOM 352 CB GLU A 23 1.581 -6.562 -8.006 1.00 21.42 C ATOM 353 CG GLU A 23 2.350 -5.508 -8.785 1.00 71.32 C ATOM 354 CD GLU A 23 3.585 -6.070 -9.463 1.00 20.35 C ATOM 355 OE1 GLU A 23 3.443 -6.696 -10.532 1.00 52.24 O ATOM 356 OE2 GLU A 23 4.695 -5.882 -8.921 1.00 20.34 O ATOM 0 H GLU A 23 0.496 -7.944 -6.235 1.00 63.04 H new ATOM 0 HA GLU A 23 3.220 -7.627 -7.111 1.00 31.13 H new ATOM 0 HB2 GLU A 23 1.353 -7.397 -8.669 1.00 21.42 H new ATOM 0 HB3 GLU A 23 0.629 -6.141 -7.684 1.00 21.42 H new ATOM 0 HG2 GLU A 23 1.695 -5.068 -9.537 1.00 71.32 H new ATOM 0 HG3 GLU A 23 2.644 -4.705 -8.109 1.00 71.32 H new ATOM 363 N ILE A 24 1.831 -5.381 -5.134 1.00 62.41 N ATOM 364 CA ILE A 24 2.121 -4.261 -4.246 1.00 52.00 C ATOM 365 C ILE A 24 3.287 -4.583 -3.319 1.00 21.41 C ATOM 366 O ILE A 24 4.140 -3.735 -3.061 1.00 24.01 O ATOM 367 CB ILE A 24 0.892 -3.884 -3.396 1.00 61.14 C ATOM 368 CG1 ILE A 24 -0.294 -3.539 -4.299 1.00 62.12 C ATOM 369 CG2 ILE A 24 1.223 -2.718 -2.477 1.00 13.05 C ATOM 370 CD1 ILE A 24 -1.638 -3.784 -3.651 1.00 20.32 C ATOM 0 H ILE A 24 0.862 -5.699 -5.109 1.00 62.41 H new ATOM 0 HA ILE A 24 2.387 -3.415 -4.880 1.00 52.00 H new ATOM 0 HB ILE A 24 0.617 -4.740 -2.780 1.00 61.14 H new ATOM 0 HG12 ILE A 24 -0.226 -2.491 -4.590 1.00 62.12 H new ATOM 0 HG13 ILE A 24 -0.228 -4.129 -5.213 1.00 62.12 H new ATOM 0 HG21 ILE A 24 0.346 -2.463 -1.883 1.00 13.05 H new ATOM 0 HG22 ILE A 24 2.041 -2.998 -1.814 1.00 13.05 H new ATOM 0 HG23 ILE A 24 1.519 -1.856 -3.075 1.00 13.05 H new ATOM 0 HD11 ILE A 24 -2.432 -3.518 -4.348 1.00 20.32 H new ATOM 0 HD12 ILE A 24 -1.727 -4.837 -3.385 1.00 20.32 H new ATOM 0 HD13 ILE A 24 -1.725 -3.174 -2.752 1.00 20.32 H new ATOM 382 N ALA A 25 3.319 -5.815 -2.821 1.00 2.31 N ATOM 383 CA ALA A 25 4.383 -6.250 -1.925 1.00 40.02 C ATOM 384 C ALA A 25 5.734 -6.239 -2.631 1.00 72.04 C ATOM 385 O ALA A 25 6.738 -5.805 -2.067 1.00 2.34 O ATOM 386 CB ALA A 25 4.080 -7.639 -1.382 1.00 42.54 C ATOM 0 H ALA A 25 2.620 -6.530 -3.023 1.00 2.31 H new ATOM 0 HA ALA A 25 4.433 -5.549 -1.092 1.00 40.02 H new ATOM 0 HB1 ALA A 25 4.883 -7.952 -0.714 1.00 42.54 H new ATOM 0 HB2 ALA A 25 3.139 -7.618 -0.833 1.00 42.54 H new ATOM 0 HB3 ALA A 25 4.001 -8.344 -2.210 1.00 42.54 H new ATOM 392 N LYS A 26 5.753 -6.719 -3.870 1.00 33.01 N ATOM 393 CA LYS A 26 6.981 -6.765 -4.655 1.00 53.42 C ATOM 394 C LYS A 26 7.433 -5.359 -5.039 1.00 65.13 C ATOM 395 O LYS A 26 8.627 -5.059 -5.034 1.00 22.34 O ATOM 396 CB LYS A 26 6.773 -7.607 -5.916 1.00 2.21 C ATOM 397 CG LYS A 26 6.444 -9.061 -5.629 1.00 71.25 C ATOM 398 CD LYS A 26 7.504 -9.711 -4.756 1.00 25.14 C ATOM 399 CE LYS A 26 8.874 -9.664 -5.414 1.00 61.34 C ATOM 400 NZ LYS A 26 9.515 -11.007 -5.458 1.00 75.33 N ATOM 0 H LYS A 26 4.931 -7.082 -4.352 1.00 33.01 H new ATOM 0 HA LYS A 26 7.758 -7.224 -4.043 1.00 53.42 H new ATOM 0 HB2 LYS A 26 5.967 -7.170 -6.505 1.00 2.21 H new ATOM 0 HB3 LYS A 26 7.675 -7.561 -6.526 1.00 2.21 H new ATOM 0 HG2 LYS A 26 5.475 -9.125 -5.134 1.00 71.25 H new ATOM 0 HG3 LYS A 26 6.359 -9.608 -6.568 1.00 71.25 H new ATOM 0 HD2 LYS A 26 7.545 -9.203 -3.792 1.00 25.14 H new ATOM 0 HD3 LYS A 26 7.229 -10.747 -4.559 1.00 25.14 H new ATOM 0 HE2 LYS A 26 8.777 -9.275 -6.427 1.00 61.34 H new ATOM 0 HE3 LYS A 26 9.516 -8.973 -4.867 1.00 61.34 H new ATOM 0 HZ1 LYS A 26 10.447 -10.932 -5.914 1.00 75.33 H new ATOM 0 HZ2 LYS A 26 9.631 -11.368 -4.490 1.00 75.33 H new ATOM 0 HZ3 LYS A 26 8.915 -11.660 -6.001 1.00 75.33 H new ATOM 414 N ARG A 27 6.472 -4.503 -5.369 1.00 42.30 N ATOM 415 CA ARG A 27 6.773 -3.129 -5.755 1.00 61.23 C ATOM 416 C ARG A 27 7.257 -2.321 -4.554 1.00 63.20 C ATOM 417 O ARG A 27 8.288 -1.653 -4.618 1.00 3.44 O ATOM 418 CB ARG A 27 5.537 -2.466 -6.364 1.00 32.12 C ATOM 419 CG ARG A 27 5.790 -1.842 -7.726 1.00 55.22 C ATOM 420 CD ARG A 27 5.340 -2.761 -8.852 1.00 42.03 C ATOM 421 NE ARG A 27 4.378 -2.112 -9.738 1.00 4.33 N ATOM 422 CZ ARG A 27 3.999 -2.615 -10.907 1.00 60.30 C ATOM 423 NH1 ARG A 27 4.497 -3.770 -11.327 1.00 54.32 N ATOM 424 NH2 ARG A 27 3.119 -1.965 -11.657 1.00 2.54 N ATOM 0 H ARG A 27 5.479 -4.736 -5.377 1.00 42.30 H new ATOM 0 HA ARG A 27 7.568 -3.153 -6.500 1.00 61.23 H new ATOM 0 HB2 ARG A 27 4.745 -3.209 -6.456 1.00 32.12 H new ATOM 0 HB3 ARG A 27 5.175 -1.696 -5.683 1.00 32.12 H new ATOM 0 HG2 ARG A 27 5.260 -0.892 -7.796 1.00 55.22 H new ATOM 0 HG3 ARG A 27 6.852 -1.623 -7.836 1.00 55.22 H new ATOM 0 HD2 ARG A 27 6.208 -3.078 -9.430 1.00 42.03 H new ATOM 0 HD3 ARG A 27 4.893 -3.661 -8.429 1.00 42.03 H new ATOM 0 HE ARG A 27 3.975 -1.223 -9.443 1.00 4.33 H new ATOM 0 HH11 ARG A 27 5.172 -4.274 -10.752 1.00 54.32 H new ATOM 0 HH12 ARG A 27 4.205 -4.155 -12.225 1.00 54.32 H new ATOM 0 HH21 ARG A 27 2.732 -1.077 -11.336 1.00 2.54 H new ATOM 0 HH22 ARG A 27 2.829 -2.353 -12.555 1.00 2.54 H new ATOM 438 N SER A 28 6.505 -2.388 -3.460 1.00 54.23 N ATOM 439 CA SER A 28 6.854 -1.659 -2.246 1.00 41.54 C ATOM 440 C SER A 28 7.959 -2.380 -1.479 1.00 2.31 C ATOM 441 O SER A 28 8.472 -1.871 -0.483 1.00 73.00 O ATOM 442 CB SER A 28 5.623 -1.493 -1.354 1.00 63.35 C ATOM 443 OG SER A 28 5.940 -0.765 -0.180 1.00 32.53 O ATOM 0 H SER A 28 5.650 -2.940 -3.389 1.00 54.23 H new ATOM 0 HA SER A 28 7.219 -0.674 -2.535 1.00 41.54 H new ATOM 0 HB2 SER A 28 4.837 -0.976 -1.905 1.00 63.35 H new ATOM 0 HB3 SER A 28 5.231 -2.473 -1.083 1.00 63.35 H new ATOM 0 HG SER A 28 6.877 -0.924 0.060 1.00 32.53 H new ATOM 449 N ASN A 29 8.321 -3.568 -1.952 1.00 1.10 N ATOM 450 CA ASN A 29 9.365 -4.360 -1.312 1.00 71.21 C ATOM 451 C ASN A 29 8.985 -4.699 0.126 1.00 74.43 C ATOM 452 O ASN A 29 9.838 -4.746 1.010 1.00 30.33 O ATOM 453 CB ASN A 29 10.694 -3.604 -1.334 1.00 41.20 C ATOM 454 CG ASN A 29 11.886 -4.534 -1.457 1.00 22.13 C ATOM 455 OD1 ASN A 29 12.097 -5.406 -0.614 1.00 30.55 O ATOM 456 ND2 ASN A 29 12.674 -4.351 -2.510 1.00 33.13 N ATOM 0 H ASN A 29 7.907 -4.003 -2.776 1.00 1.10 H new ATOM 0 HA ASN A 29 9.474 -5.290 -1.870 1.00 71.21 H new ATOM 0 HB2 ASN A 29 10.696 -2.903 -2.168 1.00 41.20 H new ATOM 0 HB3 ASN A 29 10.789 -3.015 -0.422 1.00 41.20 H new ATOM 0 HD21 ASN A 29 13.492 -4.946 -2.645 1.00 33.13 H new ATOM 0 HD22 ASN A 29 12.462 -3.616 -3.184 1.00 33.13 H new ATOM 463 N ASN A 30 7.696 -4.939 0.351 1.00 2.11 N ATOM 464 CA ASN A 30 7.202 -5.274 1.682 1.00 10.14 C ATOM 465 C ASN A 30 6.565 -6.660 1.692 1.00 13.05 C ATOM 466 O ASN A 30 6.501 -7.333 0.663 1.00 41.12 O ATOM 467 CB ASN A 30 6.187 -4.230 2.151 1.00 52.43 C ATOM 468 CG ASN A 30 6.798 -3.212 3.094 1.00 13.34 C ATOM 469 OD1 ASN A 30 6.700 -2.005 2.870 1.00 44.53 O ATOM 470 ND2 ASN A 30 7.431 -3.695 4.155 1.00 23.52 N ATOM 0 H ASN A 30 6.976 -4.908 -0.371 1.00 2.11 H new ATOM 0 HA ASN A 30 8.050 -5.278 2.367 1.00 10.14 H new ATOM 0 HB2 ASN A 30 5.773 -3.715 1.284 1.00 52.43 H new ATOM 0 HB3 ASN A 30 5.358 -4.732 2.650 1.00 52.43 H new ATOM 0 HD21 ASN A 30 7.861 -3.058 4.826 1.00 23.52 H new ATOM 0 HD22 ASN A 30 7.487 -4.703 4.300 1.00 23.52 H new ATOM 477 N SER A 31 6.092 -7.080 2.861 1.00 32.00 N ATOM 478 CA SER A 31 5.462 -8.387 3.007 1.00 51.54 C ATOM 479 C SER A 31 3.944 -8.272 2.904 1.00 23.11 C ATOM 480 O SER A 31 3.377 -7.199 3.106 1.00 2.51 O ATOM 481 CB SER A 31 5.848 -9.017 4.345 1.00 64.24 C ATOM 482 OG SER A 31 6.008 -10.420 4.221 1.00 71.54 O ATOM 0 H SER A 31 6.133 -6.534 3.721 1.00 32.00 H new ATOM 0 HA SER A 31 5.817 -9.026 2.198 1.00 51.54 H new ATOM 0 HB2 SER A 31 6.776 -8.573 4.706 1.00 64.24 H new ATOM 0 HB3 SER A 31 5.080 -8.800 5.088 1.00 64.24 H new ATOM 0 HG SER A 31 6.256 -10.799 5.090 1.00 71.54 H new ATOM 488 N MET A 32 3.292 -9.387 2.591 1.00 42.42 N ATOM 489 CA MET A 32 1.840 -9.413 2.464 1.00 41.13 C ATOM 490 C MET A 32 1.174 -8.885 3.730 1.00 12.45 C ATOM 491 O MET A 32 0.094 -8.296 3.676 1.00 35.23 O ATOM 492 CB MET A 32 1.357 -10.836 2.174 1.00 25.12 C ATOM 493 CG MET A 32 1.052 -11.087 0.707 1.00 74.34 C ATOM 494 SD MET A 32 1.135 -12.835 0.270 1.00 25.10 S ATOM 495 CE MET A 32 2.829 -12.962 -0.297 1.00 41.42 C ATOM 0 H MET A 32 3.746 -10.284 2.421 1.00 42.42 H new ATOM 0 HA MET A 32 1.561 -8.766 1.632 1.00 41.13 H new ATOM 0 HB2 MET A 32 2.117 -11.543 2.505 1.00 25.12 H new ATOM 0 HB3 MET A 32 0.461 -11.034 2.762 1.00 25.12 H new ATOM 0 HG2 MET A 32 0.057 -10.706 0.476 1.00 74.34 H new ATOM 0 HG3 MET A 32 1.758 -10.529 0.092 1.00 74.34 H new ATOM 0 HE1 MET A 32 3.034 -13.988 -0.603 1.00 41.42 H new ATOM 0 HE2 MET A 32 2.980 -12.293 -1.144 1.00 41.42 H new ATOM 0 HE3 MET A 32 3.505 -12.682 0.511 1.00 41.42 H new ATOM 505 N SER A 33 1.825 -9.098 4.869 1.00 72.05 N ATOM 506 CA SER A 33 1.293 -8.648 6.150 1.00 42.32 C ATOM 507 C SER A 33 1.542 -7.156 6.346 1.00 4.20 C ATOM 508 O SER A 33 0.827 -6.487 7.093 1.00 13.31 O ATOM 509 CB SER A 33 1.928 -9.438 7.296 1.00 34.14 C ATOM 510 OG SER A 33 1.121 -10.546 7.659 1.00 43.15 O ATOM 0 H SER A 33 2.722 -9.580 4.931 1.00 72.05 H new ATOM 0 HA SER A 33 0.217 -8.823 6.151 1.00 42.32 H new ATOM 0 HB2 SER A 33 2.917 -9.786 6.998 1.00 34.14 H new ATOM 0 HB3 SER A 33 2.066 -8.786 8.159 1.00 34.14 H new ATOM 0 HG SER A 33 1.549 -11.036 8.392 1.00 43.15 H new ATOM 516 N THR A 34 2.564 -6.638 5.671 1.00 60.11 N ATOM 517 CA THR A 34 2.910 -5.227 5.771 1.00 2.54 C ATOM 518 C THR A 34 2.070 -4.385 4.817 1.00 41.13 C ATOM 519 O THR A 34 1.472 -3.386 5.216 1.00 33.03 O ATOM 520 CB THR A 34 4.402 -4.991 5.466 1.00 24.42 C ATOM 521 OG1 THR A 34 5.208 -5.853 6.276 1.00 45.20 O ATOM 522 CG2 THR A 34 4.784 -3.541 5.724 1.00 60.22 C ATOM 0 H THR A 34 3.167 -7.176 5.049 1.00 60.11 H new ATOM 0 HA THR A 34 2.703 -4.924 6.797 1.00 2.54 H new ATOM 0 HB THR A 34 4.576 -5.214 4.413 1.00 24.42 H new ATOM 0 HG1 THR A 34 6.155 -5.699 6.076 1.00 45.20 H new ATOM 0 HG21 THR A 34 5.842 -3.398 5.502 1.00 60.22 H new ATOM 0 HG22 THR A 34 4.188 -2.889 5.086 1.00 60.22 H new ATOM 0 HG23 THR A 34 4.597 -3.296 6.769 1.00 60.22 H new ATOM 530 N VAL A 35 2.029 -4.796 3.553 1.00 14.25 N ATOM 531 CA VAL A 35 1.259 -4.081 2.542 1.00 41.30 C ATOM 532 C VAL A 35 -0.225 -4.065 2.890 1.00 14.12 C ATOM 533 O VAL A 35 -0.841 -3.002 2.980 1.00 51.13 O ATOM 534 CB VAL A 35 1.441 -4.711 1.149 1.00 54.31 C ATOM 535 CG1 VAL A 35 0.331 -4.264 0.210 1.00 21.00 C ATOM 536 CG2 VAL A 35 2.807 -4.358 0.579 1.00 13.43 C ATOM 0 H VAL A 35 2.520 -5.620 3.205 1.00 14.25 H new ATOM 0 HA VAL A 35 1.635 -3.058 2.523 1.00 41.30 H new ATOM 0 HB VAL A 35 1.383 -5.795 1.250 1.00 54.31 H new ATOM 0 HG11 VAL A 35 0.477 -4.720 -0.769 1.00 21.00 H new ATOM 0 HG12 VAL A 35 -0.633 -4.573 0.614 1.00 21.00 H new ATOM 0 HG13 VAL A 35 0.353 -3.179 0.112 1.00 21.00 H new ATOM 0 HG21 VAL A 35 2.919 -4.812 -0.406 1.00 13.43 H new ATOM 0 HG22 VAL A 35 2.896 -3.275 0.492 1.00 13.43 H new ATOM 0 HG23 VAL A 35 3.586 -4.734 1.242 1.00 13.43 H new ATOM 546 N TYR A 36 -0.794 -5.249 3.086 1.00 10.31 N ATOM 547 CA TYR A 36 -2.208 -5.371 3.423 1.00 53.14 C ATOM 548 C TYR A 36 -2.562 -4.489 4.615 1.00 11.13 C ATOM 549 O TYR A 36 -3.616 -3.852 4.641 1.00 45.54 O ATOM 550 CB TYR A 36 -2.555 -6.829 3.731 1.00 51.42 C ATOM 551 CG TYR A 36 -4.032 -7.133 3.630 1.00 15.33 C ATOM 552 CD1 TYR A 36 -4.884 -6.908 4.705 1.00 22.32 C ATOM 553 CD2 TYR A 36 -4.578 -7.647 2.460 1.00 33.32 C ATOM 554 CE1 TYR A 36 -6.234 -7.185 4.618 1.00 22.02 C ATOM 555 CE2 TYR A 36 -5.928 -7.926 2.363 1.00 24.21 C ATOM 556 CZ TYR A 36 -6.752 -7.693 3.445 1.00 52.14 C ATOM 557 OH TYR A 36 -8.096 -7.971 3.353 1.00 52.50 O ATOM 0 H TYR A 36 -0.298 -6.138 3.017 1.00 10.31 H new ATOM 0 HA TYR A 36 -2.791 -5.039 2.564 1.00 53.14 H new ATOM 0 HB2 TYR A 36 -2.011 -7.476 3.043 1.00 51.42 H new ATOM 0 HB3 TYR A 36 -2.210 -7.071 4.736 1.00 51.42 H new ATOM 0 HD1 TYR A 36 -4.483 -6.509 5.625 1.00 22.32 H new ATOM 0 HD2 TYR A 36 -3.936 -7.832 1.611 1.00 33.32 H new ATOM 0 HE1 TYR A 36 -6.881 -7.005 5.464 1.00 22.02 H new ATOM 0 HE2 TYR A 36 -6.336 -8.324 1.446 1.00 24.21 H new ATOM 0 HH TYR A 36 -8.297 -8.321 2.460 1.00 52.50 H new ATOM 567 N LYS A 37 -1.673 -4.456 5.603 1.00 34.23 N ATOM 568 CA LYS A 37 -1.890 -3.651 6.800 1.00 45.44 C ATOM 569 C LYS A 37 -2.008 -2.172 6.446 1.00 1.22 C ATOM 570 O LYS A 37 -2.692 -1.413 7.132 1.00 62.02 O ATOM 571 CB LYS A 37 -0.743 -3.858 7.791 1.00 62.44 C ATOM 572 CG LYS A 37 -1.113 -4.738 8.973 1.00 31.03 C ATOM 573 CD LYS A 37 0.018 -4.818 9.985 1.00 71.12 C ATOM 574 CE LYS A 37 -0.511 -4.937 11.405 1.00 34.33 C ATOM 575 NZ LYS A 37 -1.114 -6.274 11.662 1.00 20.42 N ATOM 0 H LYS A 37 -0.796 -4.977 5.598 1.00 34.23 H new ATOM 0 HA LYS A 37 -2.824 -3.972 7.261 1.00 45.44 H new ATOM 0 HB2 LYS A 37 0.103 -4.304 7.267 1.00 62.44 H new ATOM 0 HB3 LYS A 37 -0.413 -2.887 8.161 1.00 62.44 H new ATOM 0 HG2 LYS A 37 -2.007 -4.343 9.456 1.00 31.03 H new ATOM 0 HG3 LYS A 37 -1.358 -5.740 8.619 1.00 31.03 H new ATOM 0 HD2 LYS A 37 0.650 -5.676 9.758 1.00 71.12 H new ATOM 0 HD3 LYS A 37 0.645 -3.930 9.903 1.00 71.12 H new ATOM 0 HE2 LYS A 37 0.301 -4.763 12.111 1.00 34.33 H new ATOM 0 HE3 LYS A 37 -1.257 -4.162 11.581 1.00 34.33 H new ATOM 0 HZ1 LYS A 37 -1.463 -6.315 12.641 1.00 20.42 H new ATOM 0 HZ2 LYS A 37 -1.905 -6.430 11.006 1.00 20.42 H new ATOM 0 HZ3 LYS A 37 -0.395 -7.012 11.519 1.00 20.42 H new ATOM 589 N ALA A 38 -1.338 -1.769 5.371 1.00 55.11 N ATOM 590 CA ALA A 38 -1.372 -0.383 4.925 1.00 4.34 C ATOM 591 C ALA A 38 -2.673 -0.072 4.192 1.00 64.30 C ATOM 592 O ALA A 38 -3.269 0.989 4.385 1.00 22.21 O ATOM 593 CB ALA A 38 -0.177 -0.086 4.030 1.00 33.14 C ATOM 0 H ALA A 38 -0.765 -2.384 4.793 1.00 55.11 H new ATOM 0 HA ALA A 38 -1.320 0.256 5.806 1.00 4.34 H new ATOM 0 HB1 ALA A 38 -0.216 0.953 3.704 1.00 33.14 H new ATOM 0 HB2 ALA A 38 0.745 -0.258 4.585 1.00 33.14 H new ATOM 0 HB3 ALA A 38 -0.203 -0.740 3.159 1.00 33.14 H new ATOM 599 N LEU A 39 -3.109 -1.004 3.352 1.00 32.02 N ATOM 600 CA LEU A 39 -4.341 -0.830 2.590 1.00 11.11 C ATOM 601 C LEU A 39 -5.529 -0.604 3.519 1.00 53.13 C ATOM 602 O LEU A 39 -6.302 0.336 3.336 1.00 31.14 O ATOM 603 CB LEU A 39 -4.595 -2.054 1.707 1.00 4.12 C ATOM 604 CG LEU A 39 -3.415 -2.523 0.855 1.00 3.43 C ATOM 605 CD1 LEU A 39 -3.760 -3.816 0.132 1.00 3.43 C ATOM 606 CD2 LEU A 39 -3.013 -1.443 -0.140 1.00 35.41 C ATOM 0 H LEU A 39 -2.628 -1.887 3.181 1.00 32.02 H new ATOM 0 HA LEU A 39 -4.226 0.050 1.957 1.00 11.11 H new ATOM 0 HB2 LEU A 39 -4.907 -2.880 2.346 1.00 4.12 H new ATOM 0 HB3 LEU A 39 -5.431 -1.831 1.044 1.00 4.12 H new ATOM 0 HG LEU A 39 -2.568 -2.714 1.514 1.00 3.43 H new ATOM 0 HD11 LEU A 39 -2.909 -4.135 -0.469 1.00 3.43 H new ATOM 0 HD12 LEU A 39 -3.998 -4.589 0.863 1.00 3.43 H new ATOM 0 HD13 LEU A 39 -4.621 -3.652 -0.516 1.00 3.43 H new ATOM 0 HD21 LEU A 39 -2.172 -1.794 -0.738 1.00 35.41 H new ATOM 0 HD22 LEU A 39 -3.855 -1.220 -0.795 1.00 35.41 H new ATOM 0 HD23 LEU A 39 -2.724 -0.541 0.399 1.00 35.41 H new ATOM 618 N GLU A 40 -5.667 -1.470 4.517 1.00 72.53 N ATOM 619 CA GLU A 40 -6.761 -1.364 5.476 1.00 41.23 C ATOM 620 C GLU A 40 -6.732 -0.014 6.187 1.00 44.44 C ATOM 621 O GLU A 40 -7.772 0.528 6.558 1.00 53.41 O ATOM 622 CB GLU A 40 -6.680 -2.496 6.503 1.00 31.34 C ATOM 623 CG GLU A 40 -5.337 -2.583 7.208 1.00 72.11 C ATOM 624 CD GLU A 40 -5.382 -3.466 8.440 1.00 0.12 C ATOM 625 OE1 GLU A 40 -6.471 -3.985 8.760 1.00 41.33 O ATOM 626 OE2 GLU A 40 -4.326 -3.637 9.085 1.00 62.03 O ATOM 0 H GLU A 40 -5.035 -2.253 4.683 1.00 72.53 H new ATOM 0 HA GLU A 40 -7.700 -1.447 4.928 1.00 41.23 H new ATOM 0 HB2 GLU A 40 -7.463 -2.356 7.248 1.00 31.34 H new ATOM 0 HB3 GLU A 40 -6.881 -3.444 6.003 1.00 31.34 H new ATOM 0 HG2 GLU A 40 -4.591 -2.971 6.514 1.00 72.11 H new ATOM 0 HG3 GLU A 40 -5.016 -1.582 7.495 1.00 72.11 H new ATOM 633 N LYS A 41 -5.530 0.523 6.373 1.00 24.44 N ATOM 634 CA LYS A 41 -5.362 1.810 7.039 1.00 73.21 C ATOM 635 C LYS A 41 -5.673 2.959 6.086 1.00 11.04 C ATOM 636 O LYS A 41 -6.260 3.967 6.483 1.00 54.10 O ATOM 637 CB LYS A 41 -3.936 1.949 7.574 1.00 71.54 C ATOM 638 CG LYS A 41 -3.853 1.956 9.091 1.00 23.14 C ATOM 639 CD LYS A 41 -4.058 0.565 9.668 1.00 15.32 C ATOM 640 CE LYS A 41 -5.523 0.304 9.984 1.00 20.23 C ATOM 641 NZ LYS A 41 -5.726 -0.054 11.415 1.00 25.33 N ATOM 0 H LYS A 41 -4.658 0.087 6.072 1.00 24.44 H new ATOM 0 HA LYS A 41 -6.062 1.853 7.874 1.00 73.21 H new ATOM 0 HB2 LYS A 41 -3.331 1.128 7.189 1.00 71.54 H new ATOM 0 HB3 LYS A 41 -3.501 2.872 7.191 1.00 71.54 H new ATOM 0 HG2 LYS A 41 -2.881 2.340 9.401 1.00 23.14 H new ATOM 0 HG3 LYS A 41 -4.606 2.633 9.494 1.00 23.14 H new ATOM 0 HD2 LYS A 41 -3.699 -0.181 8.959 1.00 15.32 H new ATOM 0 HD3 LYS A 41 -3.464 0.455 10.575 1.00 15.32 H new ATOM 0 HE2 LYS A 41 -6.110 1.191 9.745 1.00 20.23 H new ATOM 0 HE3 LYS A 41 -5.893 -0.503 9.352 1.00 20.23 H new ATOM 0 HZ1 LYS A 41 -6.737 -0.224 11.590 1.00 25.33 H new ATOM 0 HZ2 LYS A 41 -5.186 -0.915 11.637 1.00 25.33 H new ATOM 0 HZ3 LYS A 41 -5.397 0.727 12.018 1.00 25.33 H new ATOM 655 N LEU A 42 -5.277 2.803 4.828 1.00 62.12 N ATOM 656 CA LEU A 42 -5.514 3.828 3.817 1.00 33.31 C ATOM 657 C LEU A 42 -6.998 3.918 3.473 1.00 40.31 C ATOM 658 O LEU A 42 -7.583 5.000 3.491 1.00 43.14 O ATOM 659 CB LEU A 42 -4.703 3.526 2.556 1.00 22.53 C ATOM 660 CG LEU A 42 -3.184 3.485 2.729 1.00 74.33 C ATOM 661 CD1 LEU A 42 -2.566 2.478 1.771 1.00 2.41 C ATOM 662 CD2 LEU A 42 -2.586 4.867 2.513 1.00 61.30 C ATOM 0 H LEU A 42 -4.790 1.976 4.483 1.00 62.12 H new ATOM 0 HA LEU A 42 -5.195 4.787 4.224 1.00 33.31 H new ATOM 0 HB2 LEU A 42 -5.030 2.565 2.160 1.00 22.53 H new ATOM 0 HB3 LEU A 42 -4.943 4.279 1.805 1.00 22.53 H new ATOM 0 HG LEU A 42 -2.961 3.170 3.748 1.00 74.33 H new ATOM 0 HD11 LEU A 42 -1.485 2.462 1.908 1.00 2.41 H new ATOM 0 HD12 LEU A 42 -2.972 1.487 1.973 1.00 2.41 H new ATOM 0 HD13 LEU A 42 -2.798 2.763 0.745 1.00 2.41 H new ATOM 0 HD21 LEU A 42 -1.504 4.819 2.640 1.00 61.30 H new ATOM 0 HD22 LEU A 42 -2.818 5.210 1.505 1.00 61.30 H new ATOM 0 HD23 LEU A 42 -3.006 5.563 3.239 1.00 61.30 H new ATOM 674 N GLU A 43 -7.599 2.775 3.160 1.00 63.42 N ATOM 675 CA GLU A 43 -9.014 2.726 2.812 1.00 25.43 C ATOM 676 C GLU A 43 -9.867 3.347 3.915 1.00 62.22 C ATOM 677 O GLU A 43 -10.908 3.945 3.647 1.00 41.34 O ATOM 678 CB GLU A 43 -9.452 1.281 2.567 1.00 33.01 C ATOM 679 CG GLU A 43 -10.752 1.163 1.789 1.00 61.14 C ATOM 680 CD GLU A 43 -11.694 0.132 2.379 1.00 72.33 C ATOM 681 OE1 GLU A 43 -12.191 0.356 3.502 1.00 55.22 O ATOM 682 OE2 GLU A 43 -11.933 -0.900 1.716 1.00 32.43 O ATOM 0 H GLU A 43 -7.128 1.870 3.140 1.00 63.42 H new ATOM 0 HA GLU A 43 -9.157 3.302 1.897 1.00 25.43 H new ATOM 0 HB2 GLU A 43 -8.665 0.759 2.024 1.00 33.01 H new ATOM 0 HB3 GLU A 43 -9.566 0.777 3.527 1.00 33.01 H new ATOM 0 HG2 GLU A 43 -11.248 2.133 1.769 1.00 61.14 H new ATOM 0 HG3 GLU A 43 -10.530 0.897 0.756 1.00 61.14 H new ATOM 689 N ALA A 44 -9.416 3.200 5.157 1.00 21.12 N ATOM 690 CA ALA A 44 -10.136 3.747 6.300 1.00 12.54 C ATOM 691 C ALA A 44 -10.090 5.272 6.299 1.00 21.32 C ATOM 692 O ALA A 44 -10.954 5.928 6.880 1.00 54.55 O ATOM 693 CB ALA A 44 -9.560 3.201 7.598 1.00 42.43 C ATOM 0 H ALA A 44 -8.556 2.707 5.397 1.00 21.12 H new ATOM 0 HA ALA A 44 -11.179 3.440 6.221 1.00 12.54 H new ATOM 0 HB1 ALA A 44 -10.108 3.618 8.443 1.00 42.43 H new ATOM 0 HB2 ALA A 44 -9.650 2.115 7.608 1.00 42.43 H new ATOM 0 HB3 ALA A 44 -8.509 3.478 7.675 1.00 42.43 H new ATOM 699 N MET A 45 -9.076 5.828 5.645 1.00 24.10 N ATOM 700 CA MET A 45 -8.918 7.276 5.569 1.00 51.53 C ATOM 701 C MET A 45 -9.467 7.813 4.251 1.00 1.51 C ATOM 702 O MET A 45 -9.863 8.975 4.160 1.00 34.41 O ATOM 703 CB MET A 45 -7.445 7.658 5.716 1.00 42.03 C ATOM 704 CG MET A 45 -6.897 7.442 7.117 1.00 63.11 C ATOM 705 SD MET A 45 -7.530 8.643 8.303 1.00 30.03 S ATOM 706 CE MET A 45 -8.647 7.620 9.258 1.00 74.21 C ATOM 0 H MET A 45 -8.352 5.298 5.160 1.00 24.10 H new ATOM 0 HA MET A 45 -9.484 7.723 6.387 1.00 51.53 H new ATOM 0 HB2 MET A 45 -6.855 7.074 5.010 1.00 42.03 H new ATOM 0 HB3 MET A 45 -7.321 8.706 5.444 1.00 42.03 H new ATOM 0 HG2 MET A 45 -7.153 6.437 7.452 1.00 63.11 H new ATOM 0 HG3 MET A 45 -5.809 7.502 7.091 1.00 63.11 H new ATOM 0 HE1 MET A 45 -9.331 8.255 9.821 1.00 74.21 H new ATOM 0 HE2 MET A 45 -9.217 6.979 8.586 1.00 74.21 H new ATOM 0 HE3 MET A 45 -8.074 7.002 9.949 1.00 74.21 H new ATOM 716 N GLY A 46 -9.485 6.962 3.231 1.00 42.13 N ATOM 717 CA GLY A 46 -9.986 7.371 1.931 1.00 61.53 C ATOM 718 C GLY A 46 -8.874 7.746 0.972 1.00 61.50 C ATOM 719 O GLY A 46 -9.084 8.518 0.038 1.00 15.12 O ATOM 0 H GLY A 46 -9.162 5.996 3.281 1.00 42.13 H new ATOM 0 HA2 GLY A 46 -10.575 6.561 1.501 1.00 61.53 H new ATOM 0 HA3 GLY A 46 -10.657 8.221 2.055 1.00 61.53 H new ATOM 723 N ARG A 47 -7.684 7.199 1.205 1.00 33.32 N ATOM 724 CA ARG A 47 -6.535 7.483 0.356 1.00 65.01 C ATOM 725 C ARG A 47 -6.570 6.632 -0.910 1.00 44.23 C ATOM 726 O ARG A 47 -6.332 7.131 -2.010 1.00 54.33 O ATOM 727 CB ARG A 47 -5.234 7.225 1.120 1.00 62.24 C ATOM 728 CG ARG A 47 -5.257 7.736 2.552 1.00 42.20 C ATOM 729 CD ARG A 47 -5.445 9.244 2.601 1.00 4.41 C ATOM 730 NE ARG A 47 -4.239 9.932 3.059 1.00 71.53 N ATOM 731 CZ ARG A 47 -4.134 11.253 3.142 1.00 45.24 C ATOM 732 NH1 ARG A 47 -5.155 12.026 2.800 1.00 43.43 N ATOM 733 NH2 ARG A 47 -3.004 11.804 3.568 1.00 43.15 N ATOM 0 H ARG A 47 -7.492 6.557 1.974 1.00 33.32 H new ATOM 0 HA ARG A 47 -6.579 8.533 0.068 1.00 65.01 H new ATOM 0 HB2 ARG A 47 -5.034 6.154 1.129 1.00 62.24 H new ATOM 0 HB3 ARG A 47 -4.410 7.699 0.587 1.00 62.24 H new ATOM 0 HG2 ARG A 47 -6.064 7.249 3.100 1.00 42.20 H new ATOM 0 HG3 ARG A 47 -4.326 7.468 3.050 1.00 42.20 H new ATOM 0 HD2 ARG A 47 -5.716 9.608 1.610 1.00 4.41 H new ATOM 0 HD3 ARG A 47 -6.274 9.484 3.266 1.00 4.41 H new ATOM 0 HE ARG A 47 -3.434 9.366 3.330 1.00 71.53 H new ATOM 0 HH11 ARG A 47 -6.025 11.606 2.472 1.00 43.43 H new ATOM 0 HH12 ARG A 47 -5.071 13.040 2.865 1.00 43.43 H new ATOM 0 HH21 ARG A 47 -2.216 11.213 3.832 1.00 43.15 H new ATOM 0 HH22 ARG A 47 -2.924 12.819 3.632 1.00 43.15 H new ATOM 747 N ILE A 48 -6.867 5.348 -0.745 1.00 52.30 N ATOM 748 CA ILE A 48 -6.934 4.430 -1.875 1.00 72.43 C ATOM 749 C ILE A 48 -8.359 4.317 -2.409 1.00 64.34 C ATOM 750 O ILE A 48 -8.572 3.976 -3.572 1.00 11.33 O ATOM 751 CB ILE A 48 -6.429 3.026 -1.490 1.00 33.03 C ATOM 752 CG1 ILE A 48 -7.285 2.444 -0.363 1.00 73.43 C ATOM 753 CG2 ILE A 48 -4.966 3.084 -1.077 1.00 20.45 C ATOM 754 CD1 ILE A 48 -6.869 1.050 0.053 1.00 54.43 C ATOM 0 H ILE A 48 -7.065 4.920 0.159 1.00 52.30 H new ATOM 0 HA ILE A 48 -6.289 4.839 -2.653 1.00 72.43 H new ATOM 0 HB ILE A 48 -6.514 2.374 -2.359 1.00 33.03 H new ATOM 0 HG12 ILE A 48 -7.230 3.104 0.502 1.00 73.43 H new ATOM 0 HG13 ILE A 48 -8.327 2.423 -0.682 1.00 73.43 H new ATOM 0 HG21 ILE A 48 -4.624 2.085 -0.808 1.00 20.45 H new ATOM 0 HG22 ILE A 48 -4.368 3.461 -1.907 1.00 20.45 H new ATOM 0 HG23 ILE A 48 -4.856 3.748 -0.220 1.00 20.45 H new ATOM 0 HD11 ILE A 48 -7.519 0.701 0.855 1.00 54.43 H new ATOM 0 HD12 ILE A 48 -6.951 0.376 -0.800 1.00 54.43 H new ATOM 0 HD13 ILE A 48 -5.837 1.068 0.404 1.00 54.43 H new ATOM 1035 N THR A 62 -22.710 -8.809 -12.675 1.00 44.32 N ATOM 1036 CA THR A 62 -23.920 -8.055 -12.376 1.00 0.50 C ATOM 1037 C THR A 62 -24.392 -7.267 -13.593 1.00 31.31 C ATOM 1038 O THR A 62 -23.623 -7.024 -14.522 1.00 40.12 O ATOM 1039 CB THR A 62 -23.699 -7.081 -11.203 1.00 12.11 C ATOM 1040 OG1 THR A 62 -22.834 -7.675 -10.228 1.00 51.44 O ATOM 1041 CG2 THR A 62 -25.023 -6.709 -10.552 1.00 1.34 C ATOM 0 HA THR A 62 -24.684 -8.781 -12.098 1.00 0.50 H new ATOM 0 HB THR A 62 -23.236 -6.175 -11.595 1.00 12.11 H new ATOM 0 HG1 THR A 62 -21.902 -7.467 -10.447 1.00 51.44 H new ATOM 0 HG21 THR A 62 -24.842 -6.021 -9.727 1.00 1.34 H new ATOM 0 HG22 THR A 62 -25.669 -6.231 -11.288 1.00 1.34 H new ATOM 0 HG23 THR A 62 -25.508 -7.609 -10.174 1.00 1.34 H new ATOM 1049 N GLU A 63 -25.661 -6.871 -13.580 1.00 73.21 N ATOM 1050 CA GLU A 63 -26.234 -6.110 -14.685 1.00 30.51 C ATOM 1051 C GLU A 63 -25.399 -4.869 -14.982 1.00 62.34 C ATOM 1052 O GLU A 63 -25.367 -4.387 -16.114 1.00 41.35 O ATOM 1053 CB GLU A 63 -27.673 -5.704 -14.360 1.00 55.31 C ATOM 1054 CG GLU A 63 -28.709 -6.362 -15.257 1.00 23.21 C ATOM 1055 CD GLU A 63 -30.087 -6.400 -14.626 1.00 3.11 C ATOM 1056 OE1 GLU A 63 -30.640 -5.315 -14.345 1.00 54.33 O ATOM 1057 OE2 GLU A 63 -30.613 -7.512 -14.412 1.00 1.44 O ATOM 0 H GLU A 63 -26.311 -7.064 -12.818 1.00 73.21 H new ATOM 0 HA GLU A 63 -26.234 -6.747 -15.570 1.00 30.51 H new ATOM 0 HB2 GLU A 63 -27.888 -5.960 -13.323 1.00 55.31 H new ATOM 0 HB3 GLU A 63 -27.765 -4.621 -14.447 1.00 55.31 H new ATOM 0 HG2 GLU A 63 -28.761 -5.822 -16.202 1.00 23.21 H new ATOM 0 HG3 GLU A 63 -28.391 -7.379 -15.488 1.00 23.21 H new ATOM 1064 N GLU A 64 -24.724 -4.357 -13.957 1.00 12.40 N ATOM 1065 CA GLU A 64 -23.889 -3.171 -14.109 1.00 70.14 C ATOM 1066 C GLU A 64 -22.594 -3.508 -14.842 1.00 72.13 C ATOM 1067 O GLU A 64 -22.133 -2.745 -15.690 1.00 43.51 O ATOM 1068 CB GLU A 64 -23.570 -2.567 -12.741 1.00 3.34 C ATOM 1069 CG GLU A 64 -23.841 -1.073 -12.658 1.00 62.02 C ATOM 1070 CD GLU A 64 -22.661 -0.297 -12.104 1.00 14.30 C ATOM 1071 OE1 GLU A 64 -22.085 -0.739 -11.088 1.00 53.14 O ATOM 1072 OE2 GLU A 64 -22.316 0.753 -12.685 1.00 62.14 O ATOM 0 H GLU A 64 -24.739 -4.745 -13.014 1.00 12.40 H new ATOM 0 HA GLU A 64 -24.442 -2.442 -14.701 1.00 70.14 H new ATOM 0 HB2 GLU A 64 -24.161 -3.078 -11.981 1.00 3.34 H new ATOM 0 HB3 GLU A 64 -22.521 -2.751 -12.507 1.00 3.34 H new ATOM 0 HG2 GLU A 64 -24.085 -0.696 -13.651 1.00 62.02 H new ATOM 0 HG3 GLU A 64 -24.713 -0.900 -12.028 1.00 62.02 H new ATOM 1079 N GLU A 65 -22.013 -4.657 -14.509 1.00 4.23 N ATOM 1080 CA GLU A 65 -20.770 -5.094 -15.134 1.00 1.44 C ATOM 1081 C GLU A 65 -20.990 -5.422 -16.609 1.00 23.10 C ATOM 1082 O GLU A 65 -20.190 -5.043 -17.467 1.00 31.44 O ATOM 1083 CB GLU A 65 -20.210 -6.317 -14.406 1.00 41.34 C ATOM 1084 CG GLU A 65 -19.368 -5.968 -13.190 1.00 62.42 C ATOM 1085 CD GLU A 65 -19.411 -7.045 -12.124 1.00 24.00 C ATOM 1086 OE1 GLU A 65 -20.446 -7.156 -11.435 1.00 64.51 O ATOM 1087 OE2 GLU A 65 -18.408 -7.776 -11.978 1.00 73.22 O ATOM 0 H GLU A 65 -22.383 -5.301 -13.810 1.00 4.23 H new ATOM 0 HA GLU A 65 -20.051 -4.278 -15.064 1.00 1.44 H new ATOM 0 HB2 GLU A 65 -21.037 -6.954 -14.094 1.00 41.34 H new ATOM 0 HB3 GLU A 65 -19.605 -6.898 -15.102 1.00 41.34 H new ATOM 0 HG2 GLU A 65 -18.335 -5.810 -13.501 1.00 62.42 H new ATOM 0 HG3 GLU A 65 -19.720 -5.028 -12.766 1.00 62.42 H new ATOM 1094 N LEU A 66 -22.077 -6.129 -16.896 1.00 4.35 N ATOM 1095 CA LEU A 66 -22.402 -6.509 -18.266 1.00 72.41 C ATOM 1096 C LEU A 66 -22.452 -5.285 -19.174 1.00 63.32 C ATOM 1097 O LEU A 66 -22.128 -5.365 -20.359 1.00 35.34 O ATOM 1098 CB LEU A 66 -23.745 -7.243 -18.307 1.00 44.35 C ATOM 1099 CG LEU A 66 -23.794 -8.590 -17.585 1.00 54.11 C ATOM 1100 CD1 LEU A 66 -25.224 -8.935 -17.198 1.00 50.01 C ATOM 1101 CD2 LEU A 66 -23.197 -9.685 -18.458 1.00 32.42 C ATOM 0 H LEU A 66 -22.748 -6.451 -16.199 1.00 4.35 H new ATOM 0 HA LEU A 66 -21.618 -7.175 -18.628 1.00 72.41 H new ATOM 0 HB2 LEU A 66 -24.505 -6.593 -17.874 1.00 44.35 H new ATOM 0 HB3 LEU A 66 -24.018 -7.402 -19.350 1.00 44.35 H new ATOM 0 HG LEU A 66 -23.200 -8.515 -16.674 1.00 54.11 H new ATOM 0 HD11 LEU A 66 -25.240 -9.897 -16.685 1.00 50.01 H new ATOM 0 HD12 LEU A 66 -25.618 -8.164 -16.536 1.00 50.01 H new ATOM 0 HD13 LEU A 66 -25.840 -8.992 -18.095 1.00 50.01 H new ATOM 0 HD21 LEU A 66 -23.240 -10.637 -17.928 1.00 32.42 H new ATOM 0 HD22 LEU A 66 -23.764 -9.760 -19.386 1.00 32.42 H new ATOM 0 HD23 LEU A 66 -22.159 -9.443 -18.686 1.00 32.42 H new ATOM 1113 N ALA A 67 -22.856 -4.152 -18.610 1.00 20.35 N ATOM 1114 CA ALA A 67 -22.944 -2.909 -19.367 1.00 53.05 C ATOM 1115 C ALA A 67 -21.571 -2.265 -19.524 1.00 64.13 C ATOM 1116 O ALA A 67 -21.335 -1.500 -20.459 1.00 11.41 O ATOM 1117 CB ALA A 67 -23.908 -1.946 -18.691 1.00 42.23 C ATOM 0 H ALA A 67 -23.128 -4.069 -17.630 1.00 20.35 H new ATOM 0 HA ALA A 67 -23.322 -3.144 -20.362 1.00 53.05 H new ATOM 0 HB1 ALA A 67 -23.964 -1.022 -19.267 1.00 42.23 H new ATOM 0 HB2 ALA A 67 -24.897 -2.400 -18.637 1.00 42.23 H new ATOM 0 HB3 ALA A 67 -23.555 -1.725 -17.684 1.00 42.23 H new ATOM 1123 N THR A 68 -20.666 -2.578 -18.601 1.00 1.23 N ATOM 1124 CA THR A 68 -19.317 -2.027 -18.636 1.00 53.22 C ATOM 1125 C THR A 68 -18.422 -2.827 -19.575 1.00 44.24 C ATOM 1126 O THR A 68 -17.644 -2.257 -20.341 1.00 40.20 O ATOM 1127 CB THR A 68 -18.682 -2.006 -17.232 1.00 54.15 C ATOM 1128 OG1 THR A 68 -19.468 -1.196 -16.351 1.00 52.44 O ATOM 1129 CG2 THR A 68 -17.260 -1.471 -17.290 1.00 10.14 C ATOM 0 H THR A 68 -20.843 -3.210 -17.820 1.00 1.23 H new ATOM 0 HA THR A 68 -19.402 -1.004 -19.003 1.00 53.22 H new ATOM 0 HB THR A 68 -18.653 -3.028 -16.854 1.00 54.15 H new ATOM 0 HG1 THR A 68 -20.296 -1.669 -16.123 1.00 52.44 H new ATOM 0 HG21 THR A 68 -16.832 -1.465 -16.287 1.00 10.14 H new ATOM 0 HG22 THR A 68 -16.658 -2.108 -17.938 1.00 10.14 H new ATOM 0 HG23 THR A 68 -17.269 -0.456 -17.686 1.00 10.14 H new ATOM 1137 N ILE A 69 -18.535 -4.149 -19.511 1.00 41.01 N ATOM 1138 CA ILE A 69 -17.736 -5.026 -20.357 1.00 1.21 C ATOM 1139 C ILE A 69 -18.049 -4.802 -21.833 1.00 25.41 C ATOM 1140 O ILE A 69 -17.157 -4.841 -22.680 1.00 74.24 O ATOM 1141 CB ILE A 69 -17.973 -6.509 -20.013 1.00 42.14 C ATOM 1142 CG1 ILE A 69 -17.137 -7.407 -20.929 1.00 23.44 C ATOM 1143 CG2 ILE A 69 -19.449 -6.851 -20.132 1.00 73.10 C ATOM 1144 CD1 ILE A 69 -17.258 -8.879 -20.604 1.00 44.33 C ATOM 0 H ILE A 69 -19.173 -4.637 -18.882 1.00 41.01 H new ATOM 0 HA ILE A 69 -16.691 -4.780 -20.168 1.00 1.21 H new ATOM 0 HB ILE A 69 -17.662 -6.682 -18.983 1.00 42.14 H new ATOM 0 HG12 ILE A 69 -17.444 -7.245 -21.962 1.00 23.44 H new ATOM 0 HG13 ILE A 69 -16.090 -7.112 -20.857 1.00 23.44 H new ATOM 0 HG21 ILE A 69 -19.600 -7.902 -19.886 1.00 73.10 H new ATOM 0 HG22 ILE A 69 -20.023 -6.231 -19.443 1.00 73.10 H new ATOM 0 HG23 ILE A 69 -19.784 -6.666 -21.152 1.00 73.10 H new ATOM 0 HD11 ILE A 69 -16.640 -9.456 -21.292 1.00 44.33 H new ATOM 0 HD12 ILE A 69 -16.924 -9.055 -19.582 1.00 44.33 H new ATOM 0 HD13 ILE A 69 -18.298 -9.189 -20.704 1.00 44.33 H new ATOM 1156 N ARG A 70 -19.321 -4.564 -22.132 1.00 34.35 N ATOM 1157 CA ARG A 70 -19.753 -4.332 -23.505 1.00 20.42 C ATOM 1158 C ARG A 70 -18.993 -3.163 -24.123 1.00 40.32 C ATOM 1159 O ARG A 70 -18.879 -3.061 -25.344 1.00 41.31 O ATOM 1160 CB ARG A 70 -21.257 -4.058 -23.550 1.00 11.45 C ATOM 1161 CG ARG A 70 -21.634 -2.654 -23.102 1.00 63.40 C ATOM 1162 CD ARG A 70 -21.984 -1.766 -24.285 1.00 71.14 C ATOM 1163 NE ARG A 70 -23.427 -1.606 -24.441 1.00 3.20 N ATOM 1164 CZ ARG A 70 -24.157 -0.771 -23.710 1.00 62.11 C ATOM 1165 NH1 ARG A 70 -23.581 -0.026 -22.777 1.00 3.45 N ATOM 1166 NH2 ARG A 70 -25.465 -0.680 -23.912 1.00 70.41 N ATOM 0 H ARG A 70 -20.071 -4.527 -21.442 1.00 34.35 H new ATOM 0 HA ARG A 70 -19.537 -5.230 -24.084 1.00 20.42 H new ATOM 0 HB2 ARG A 70 -21.616 -4.214 -24.567 1.00 11.45 H new ATOM 0 HB3 ARG A 70 -21.769 -4.782 -22.916 1.00 11.45 H new ATOM 0 HG2 ARG A 70 -22.483 -2.704 -22.420 1.00 63.40 H new ATOM 0 HG3 ARG A 70 -20.805 -2.213 -22.548 1.00 63.40 H new ATOM 0 HD2 ARG A 70 -21.523 -0.787 -24.152 1.00 71.14 H new ATOM 0 HD3 ARG A 70 -21.566 -2.194 -25.196 1.00 71.14 H new ATOM 0 HE ARG A 70 -23.900 -2.166 -25.150 1.00 3.20 H new ATOM 0 HH11 ARG A 70 -22.576 -0.093 -22.619 1.00 3.45 H new ATOM 0 HH12 ARG A 70 -24.143 0.615 -22.217 1.00 3.45 H new ATOM 0 HH21 ARG A 70 -25.911 -1.252 -24.629 1.00 70.41 H new ATOM 0 HH22 ARG A 70 -26.024 -0.038 -23.350 1.00 70.41 H new ATOM 1180 N GLU A 71 -18.475 -2.283 -23.272 1.00 33.03 N ATOM 1181 CA GLU A 71 -17.728 -1.120 -23.736 1.00 73.12 C ATOM 1182 C GLU A 71 -16.603 -1.538 -24.679 1.00 61.10 C ATOM 1183 O GLU A 71 -16.240 -0.799 -25.596 1.00 20.41 O ATOM 1184 CB GLU A 71 -17.151 -0.349 -22.547 1.00 32.24 C ATOM 1185 CG GLU A 71 -18.211 0.269 -21.651 1.00 10.35 C ATOM 1186 CD GLU A 71 -17.617 0.982 -20.451 1.00 14.12 C ATOM 1187 OE1 GLU A 71 -16.502 0.606 -20.030 1.00 13.02 O ATOM 1188 OE2 GLU A 71 -18.267 1.914 -19.933 1.00 44.52 O ATOM 0 H GLU A 71 -18.559 -2.353 -22.258 1.00 33.03 H new ATOM 0 HA GLU A 71 -18.415 -0.472 -24.281 1.00 73.12 H new ATOM 0 HB2 GLU A 71 -16.533 -1.023 -21.953 1.00 32.24 H new ATOM 0 HB3 GLU A 71 -16.497 0.439 -22.919 1.00 32.24 H new ATOM 0 HG2 GLU A 71 -18.805 0.975 -22.231 1.00 10.35 H new ATOM 0 HG3 GLU A 71 -18.890 -0.511 -21.306 1.00 10.35 H new ATOM 1195 N LEU A 72 -16.055 -2.725 -24.447 1.00 21.20 N ATOM 1196 CA LEU A 72 -14.971 -3.242 -25.274 1.00 51.53 C ATOM 1197 C LEU A 72 -15.354 -3.219 -26.751 1.00 3.53 C ATOM 1198 O LEU A 72 -14.490 -3.217 -27.628 1.00 64.34 O ATOM 1199 CB LEU A 72 -14.616 -4.669 -24.852 1.00 3.05 C ATOM 1200 CG LEU A 72 -15.388 -5.788 -25.550 1.00 22.01 C ATOM 1201 CD1 LEU A 72 -16.886 -5.535 -25.467 1.00 24.30 C ATOM 1202 CD2 LEU A 72 -14.948 -5.916 -27.001 1.00 44.42 C ATOM 0 H LEU A 72 -16.344 -3.348 -23.693 1.00 21.20 H new ATOM 0 HA LEU A 72 -14.102 -2.600 -25.132 1.00 51.53 H new ATOM 0 HB2 LEU A 72 -13.552 -4.824 -25.029 1.00 3.05 H new ATOM 0 HB3 LEU A 72 -14.777 -4.759 -23.778 1.00 3.05 H new ATOM 0 HG LEU A 72 -15.169 -6.726 -25.040 1.00 22.01 H new ATOM 0 HD11 LEU A 72 -17.420 -6.342 -25.969 1.00 24.30 H new ATOM 0 HD12 LEU A 72 -17.191 -5.494 -24.421 1.00 24.30 H new ATOM 0 HD13 LEU A 72 -17.122 -4.587 -25.951 1.00 24.30 H new ATOM 0 HD21 LEU A 72 -15.509 -6.718 -27.482 1.00 44.42 H new ATOM 0 HD22 LEU A 72 -15.137 -4.978 -27.523 1.00 44.42 H new ATOM 0 HD23 LEU A 72 -13.883 -6.144 -27.039 1.00 44.42 H new ATOM 1214 N TYR A 73 -16.655 -3.196 -27.020 1.00 23.33 N ATOM 1215 CA TYR A 73 -17.153 -3.171 -28.389 1.00 41.14 C ATOM 1216 C TYR A 73 -17.061 -1.767 -28.977 1.00 42.34 C ATOM 1217 O TYR A 73 -16.785 -1.595 -30.166 1.00 24.43 O ATOM 1218 CB TYR A 73 -18.600 -3.662 -28.437 1.00 74.31 C ATOM 1219 CG TYR A 73 -18.833 -4.765 -29.444 1.00 74.31 C ATOM 1220 CD1 TYR A 73 -18.575 -4.567 -30.795 1.00 5.32 C ATOM 1221 CD2 TYR A 73 -19.310 -6.008 -29.046 1.00 24.52 C ATOM 1222 CE1 TYR A 73 -18.787 -5.571 -31.719 1.00 41.03 C ATOM 1223 CE2 TYR A 73 -19.523 -7.020 -29.963 1.00 22.44 C ATOM 1224 CZ TYR A 73 -19.260 -6.796 -31.297 1.00 33.03 C ATOM 1225 OH TYR A 73 -19.472 -7.800 -32.215 1.00 21.21 O ATOM 0 H TYR A 73 -17.384 -3.194 -26.307 1.00 23.33 H new ATOM 0 HA TYR A 73 -16.531 -3.837 -28.987 1.00 41.14 H new ATOM 0 HB2 TYR A 73 -18.887 -4.019 -27.448 1.00 74.31 H new ATOM 0 HB3 TYR A 73 -19.252 -2.821 -28.674 1.00 74.31 H new ATOM 0 HD1 TYR A 73 -18.202 -3.610 -31.129 1.00 5.32 H new ATOM 0 HD2 TYR A 73 -19.518 -6.187 -28.001 1.00 24.52 H new ATOM 0 HE1 TYR A 73 -18.584 -5.398 -32.766 1.00 41.03 H new ATOM 0 HE2 TYR A 73 -19.893 -7.980 -29.636 1.00 22.44 H new ATOM 0 HH TYR A 73 -19.805 -8.599 -31.755 1.00 21.21 H new ATOM 1235 N LEU A 74 -17.294 -0.765 -28.137 1.00 42.43 N ATOM 1236 CA LEU A 74 -17.236 0.627 -28.571 1.00 55.44 C ATOM 1237 C LEU A 74 -15.800 1.048 -28.866 1.00 61.45 C ATOM 1238 O LEU A 74 -15.524 1.684 -29.883 1.00 63.12 O ATOM 1239 CB LEU A 74 -17.838 1.541 -27.503 1.00 31.34 C ATOM 1240 CG LEU A 74 -19.363 1.519 -27.382 1.00 64.40 C ATOM 1241 CD1 LEU A 74 -20.009 1.791 -28.731 1.00 2.02 C ATOM 1242 CD2 LEU A 74 -19.833 0.184 -26.823 1.00 30.43 C ATOM 0 H LEU A 74 -17.525 -0.890 -27.151 1.00 42.43 H new ATOM 0 HA LEU A 74 -17.817 0.719 -29.489 1.00 55.44 H new ATOM 0 HB2 LEU A 74 -17.413 1.267 -26.537 1.00 31.34 H new ATOM 0 HB3 LEU A 74 -17.525 2.564 -27.710 1.00 31.34 H new ATOM 0 HG LEU A 74 -19.666 2.307 -26.692 1.00 64.40 H new ATOM 0 HD11 LEU A 74 -21.094 1.771 -28.626 1.00 2.02 H new ATOM 0 HD12 LEU A 74 -19.697 2.771 -29.093 1.00 2.02 H new ATOM 0 HD13 LEU A 74 -19.700 1.026 -29.443 1.00 2.02 H new ATOM 0 HD21 LEU A 74 -20.920 0.185 -26.743 1.00 30.43 H new ATOM 0 HD22 LEU A 74 -19.519 -0.620 -27.489 1.00 30.43 H new ATOM 0 HD23 LEU A 74 -19.397 0.029 -25.836 1.00 30.43 H new ATOM 1254 N LYS A 75 -14.887 0.685 -27.970 1.00 15.12 N ATOM 1255 CA LYS A 75 -13.479 1.021 -28.134 1.00 4.21 C ATOM 1256 C LYS A 75 -12.769 -0.015 -29.001 1.00 73.13 C ATOM 1257 O LYS A 75 -11.707 0.253 -29.562 1.00 34.33 O ATOM 1258 CB LYS A 75 -12.793 1.114 -26.769 1.00 5.22 C ATOM 1259 CG LYS A 75 -13.523 2.009 -25.782 1.00 33.31 C ATOM 1260 CD LYS A 75 -12.670 2.303 -24.559 1.00 72.02 C ATOM 1261 CE LYS A 75 -13.148 1.521 -23.345 1.00 1.11 C ATOM 1262 NZ LYS A 75 -12.199 1.634 -22.204 1.00 43.05 N ATOM 0 H LYS A 75 -15.099 0.158 -27.123 1.00 15.12 H new ATOM 0 HA LYS A 75 -13.418 1.989 -28.632 1.00 4.21 H new ATOM 0 HB2 LYS A 75 -12.708 0.113 -26.345 1.00 5.22 H new ATOM 0 HB3 LYS A 75 -11.779 1.489 -26.906 1.00 5.22 H new ATOM 0 HG2 LYS A 75 -13.795 2.945 -26.270 1.00 33.31 H new ATOM 0 HG3 LYS A 75 -14.451 1.529 -25.472 1.00 33.31 H new ATOM 0 HD2 LYS A 75 -11.631 2.050 -24.770 1.00 72.02 H new ATOM 0 HD3 LYS A 75 -12.701 3.370 -24.341 1.00 72.02 H new ATOM 0 HE2 LYS A 75 -14.128 1.887 -23.040 1.00 1.11 H new ATOM 0 HE3 LYS A 75 -13.270 0.472 -23.614 1.00 1.11 H new ATOM 0 HZ1 LYS A 75 -12.560 1.087 -21.396 1.00 43.05 H new ATOM 0 HZ2 LYS A 75 -11.270 1.261 -22.487 1.00 43.05 H new ATOM 0 HZ3 LYS A 75 -12.102 2.633 -21.931 1.00 43.05 H new ATOM 1276 N GLY A 76 -13.366 -1.199 -29.108 1.00 20.13 N ATOM 1277 CA GLY A 76 -12.778 -2.256 -29.909 1.00 42.25 C ATOM 1278 C GLY A 76 -11.756 -3.068 -29.138 1.00 31.30 C ATOM 1279 O GLY A 76 -10.970 -3.809 -29.726 1.00 53.55 O ATOM 0 H GLY A 76 -14.246 -1.444 -28.654 1.00 20.13 H new ATOM 0 HA2 GLY A 76 -13.567 -2.917 -30.268 1.00 42.25 H new ATOM 0 HA3 GLY A 76 -12.303 -1.820 -30.788 1.00 42.25 H new ATOM 1283 N ALA A 77 -11.766 -2.927 -27.816 1.00 44.22 N ATOM 1284 CA ALA A 77 -10.833 -3.653 -26.963 1.00 74.12 C ATOM 1285 C ALA A 77 -10.904 -5.154 -27.226 1.00 11.12 C ATOM 1286 O ALA A 77 -11.824 -5.636 -27.888 1.00 71.32 O ATOM 1287 CB ALA A 77 -11.117 -3.358 -25.499 1.00 33.34 C ATOM 0 H ALA A 77 -12.410 -2.317 -27.313 1.00 44.22 H new ATOM 0 HA ALA A 77 -9.824 -3.316 -27.200 1.00 74.12 H new ATOM 0 HB1 ALA A 77 -10.413 -3.907 -24.874 1.00 33.34 H new ATOM 0 HB2 ALA A 77 -11.008 -2.289 -25.316 1.00 33.34 H new ATOM 0 HB3 ALA A 77 -12.134 -3.666 -25.256 1.00 33.34 H new ATOM 1293 N THR A 78 -9.928 -5.889 -26.703 1.00 24.12 N ATOM 1294 CA THR A 78 -9.878 -7.334 -26.882 1.00 32.03 C ATOM 1295 C THR A 78 -10.211 -8.060 -25.583 1.00 73.12 C ATOM 1296 O THR A 78 -10.403 -7.434 -24.541 1.00 52.22 O ATOM 1297 CB THR A 78 -8.492 -7.792 -27.373 1.00 73.20 C ATOM 1298 OG1 THR A 78 -7.498 -7.484 -26.390 1.00 63.42 O ATOM 1299 CG2 THR A 78 -8.135 -7.122 -28.690 1.00 1.25 C ATOM 0 H THR A 78 -9.160 -5.506 -26.151 1.00 24.12 H new ATOM 0 HA THR A 78 -10.623 -7.585 -27.637 1.00 32.03 H new ATOM 0 HB THR A 78 -8.525 -8.870 -27.530 1.00 73.20 H new ATOM 0 HG1 THR A 78 -6.620 -7.780 -26.709 1.00 63.42 H new ATOM 0 HG21 THR A 78 -7.152 -7.461 -29.016 1.00 1.25 H new ATOM 0 HG22 THR A 78 -8.878 -7.383 -29.444 1.00 1.25 H new ATOM 0 HG23 THR A 78 -8.119 -6.040 -28.555 1.00 1.25 H new ATOM 1307 N VAL A 79 -10.276 -9.387 -25.653 1.00 11.25 N ATOM 1308 CA VAL A 79 -10.585 -10.199 -24.482 1.00 42.50 C ATOM 1309 C VAL A 79 -9.617 -9.907 -23.341 1.00 5.53 C ATOM 1310 O VAL A 79 -9.954 -10.073 -22.169 1.00 31.15 O ATOM 1311 CB VAL A 79 -10.532 -11.702 -24.812 1.00 53.45 C ATOM 1312 CG1 VAL A 79 -10.997 -12.527 -23.622 1.00 40.12 C ATOM 1313 CG2 VAL A 79 -11.373 -12.006 -26.043 1.00 72.32 C ATOM 0 H VAL A 79 -10.119 -9.921 -26.508 1.00 11.25 H new ATOM 0 HA VAL A 79 -11.597 -9.937 -24.173 1.00 42.50 H new ATOM 0 HB VAL A 79 -9.499 -11.973 -25.029 1.00 53.45 H new ATOM 0 HG11 VAL A 79 -10.953 -13.586 -23.874 1.00 40.12 H new ATOM 0 HG12 VAL A 79 -10.350 -12.330 -22.767 1.00 40.12 H new ATOM 0 HG13 VAL A 79 -12.022 -12.257 -23.370 1.00 40.12 H new ATOM 0 HG21 VAL A 79 -11.325 -13.073 -26.262 1.00 72.32 H new ATOM 0 HG22 VAL A 79 -12.408 -11.721 -25.856 1.00 72.32 H new ATOM 0 HG23 VAL A 79 -10.990 -11.443 -26.894 1.00 72.32 H new ATOM 1323 N TYR A 80 -8.412 -9.471 -23.692 1.00 22.42 N ATOM 1324 CA TYR A 80 -7.393 -9.156 -22.696 1.00 74.42 C ATOM 1325 C TYR A 80 -7.734 -7.867 -21.956 1.00 22.21 C ATOM 1326 O TYR A 80 -7.514 -7.754 -20.750 1.00 50.44 O ATOM 1327 CB TYR A 80 -6.022 -9.029 -23.362 1.00 55.22 C ATOM 1328 CG TYR A 80 -4.870 -9.033 -22.383 1.00 20.32 C ATOM 1329 CD1 TYR A 80 -4.663 -10.109 -21.527 1.00 55.30 C ATOM 1330 CD2 TYR A 80 -3.989 -7.962 -22.312 1.00 41.20 C ATOM 1331 CE1 TYR A 80 -3.614 -10.116 -20.630 1.00 45.25 C ATOM 1332 CE2 TYR A 80 -2.934 -7.961 -21.419 1.00 35.53 C ATOM 1333 CZ TYR A 80 -2.752 -9.040 -20.580 1.00 65.12 C ATOM 1334 OH TYR A 80 -1.703 -9.045 -19.689 1.00 53.20 O ATOM 0 H TYR A 80 -8.117 -9.328 -24.658 1.00 22.42 H new ATOM 0 HA TYR A 80 -7.364 -9.971 -21.972 1.00 74.42 H new ATOM 0 HB2 TYR A 80 -5.892 -9.851 -24.066 1.00 55.22 H new ATOM 0 HB3 TYR A 80 -5.993 -8.106 -23.941 1.00 55.22 H new ATOM 0 HD1 TYR A 80 -5.335 -10.954 -21.565 1.00 55.30 H new ATOM 0 HD2 TYR A 80 -4.131 -7.115 -22.966 1.00 41.20 H new ATOM 0 HE1 TYR A 80 -3.469 -10.959 -19.971 1.00 45.25 H new ATOM 0 HE2 TYR A 80 -2.257 -7.121 -21.379 1.00 35.53 H new ATOM 0 HH TYR A 80 -1.191 -8.215 -19.782 1.00 53.20 H new ATOM 1344 N GLU A 81 -8.273 -6.897 -22.688 1.00 1.01 N ATOM 1345 CA GLU A 81 -8.645 -5.615 -22.101 1.00 45.34 C ATOM 1346 C GLU A 81 -9.727 -5.795 -21.041 1.00 11.24 C ATOM 1347 O GLU A 81 -9.557 -5.390 -19.891 1.00 23.10 O ATOM 1348 CB GLU A 81 -9.133 -4.654 -23.188 1.00 10.01 C ATOM 1349 CG GLU A 81 -8.017 -3.863 -23.848 1.00 22.13 C ATOM 1350 CD GLU A 81 -7.948 -2.430 -23.357 1.00 23.14 C ATOM 1351 OE1 GLU A 81 -8.825 -1.629 -23.743 1.00 0.23 O ATOM 1352 OE2 GLU A 81 -7.018 -2.110 -22.588 1.00 1.24 O ATOM 0 H GLU A 81 -8.462 -6.974 -23.687 1.00 1.01 H new ATOM 0 HA GLU A 81 -7.761 -5.193 -21.623 1.00 45.34 H new ATOM 0 HB2 GLU A 81 -9.664 -5.222 -23.951 1.00 10.01 H new ATOM 0 HB3 GLU A 81 -9.850 -3.959 -22.751 1.00 10.01 H new ATOM 0 HG2 GLU A 81 -7.064 -4.356 -23.655 1.00 22.13 H new ATOM 0 HG3 GLU A 81 -8.164 -3.866 -24.928 1.00 22.13 H new ATOM 1359 N ILE A 82 -10.840 -6.403 -21.438 1.00 2.12 N ATOM 1360 CA ILE A 82 -11.950 -6.637 -20.523 1.00 23.22 C ATOM 1361 C ILE A 82 -11.486 -7.378 -19.273 1.00 40.34 C ATOM 1362 O ILE A 82 -12.017 -7.170 -18.183 1.00 41.45 O ATOM 1363 CB ILE A 82 -13.075 -7.444 -21.197 1.00 12.33 C ATOM 1364 CG1 ILE A 82 -12.510 -8.712 -21.838 1.00 25.53 C ATOM 1365 CG2 ILE A 82 -13.789 -6.591 -22.236 1.00 70.14 C ATOM 1366 CD1 ILE A 82 -13.560 -9.573 -22.504 1.00 50.21 C ATOM 0 H ILE A 82 -10.997 -6.742 -22.387 1.00 2.12 H new ATOM 0 HA ILE A 82 -12.336 -5.658 -20.239 1.00 23.22 H new ATOM 0 HB ILE A 82 -13.798 -7.736 -20.436 1.00 12.33 H new ATOM 0 HG12 ILE A 82 -11.759 -8.432 -22.577 1.00 25.53 H new ATOM 0 HG13 ILE A 82 -12.001 -9.300 -21.074 1.00 25.53 H new ATOM 0 HG21 ILE A 82 -14.582 -7.175 -22.704 1.00 70.14 H new ATOM 0 HG22 ILE A 82 -14.221 -5.715 -21.753 1.00 70.14 H new ATOM 0 HG23 ILE A 82 -13.076 -6.272 -22.996 1.00 70.14 H new ATOM 0 HD11 ILE A 82 -13.087 -10.454 -22.937 1.00 50.21 H new ATOM 0 HD12 ILE A 82 -14.298 -9.884 -21.765 1.00 50.21 H new ATOM 0 HD13 ILE A 82 -14.053 -9.002 -23.291 1.00 50.21 H new ATOM 1378 N ALA A 83 -10.492 -8.244 -19.442 1.00 24.01 N ATOM 1379 CA ALA A 83 -9.953 -9.014 -18.327 1.00 61.01 C ATOM 1380 C ALA A 83 -9.418 -8.096 -17.234 1.00 65.01 C ATOM 1381 O ALA A 83 -9.720 -8.278 -16.055 1.00 24.13 O ATOM 1382 CB ALA A 83 -8.859 -9.952 -18.815 1.00 70.33 C ATOM 0 H ALA A 83 -10.044 -8.430 -20.339 1.00 24.01 H new ATOM 0 HA ALA A 83 -10.762 -9.608 -17.902 1.00 61.01 H new ATOM 0 HB1 ALA A 83 -8.465 -10.521 -17.973 1.00 70.33 H new ATOM 0 HB2 ALA A 83 -9.271 -10.638 -19.555 1.00 70.33 H new ATOM 0 HB3 ALA A 83 -8.056 -9.370 -19.267 1.00 70.33 H new ATOM 1388 N ARG A 84 -8.620 -7.110 -17.633 1.00 42.14 N ATOM 1389 CA ARG A 84 -8.040 -6.165 -16.686 1.00 34.34 C ATOM 1390 C ARG A 84 -9.099 -5.196 -16.168 1.00 51.42 C ATOM 1391 O ARG A 84 -9.032 -4.742 -15.026 1.00 52.42 O ATOM 1392 CB ARG A 84 -6.899 -5.387 -17.343 1.00 50.11 C ATOM 1393 CG ARG A 84 -5.522 -5.770 -16.825 1.00 73.43 C ATOM 1394 CD ARG A 84 -4.630 -6.288 -17.942 1.00 32.13 C ATOM 1395 NE ARG A 84 -3.430 -6.940 -17.426 1.00 43.25 N ATOM 1396 CZ ARG A 84 -2.365 -6.278 -16.988 1.00 61.00 C ATOM 1397 NH1 ARG A 84 -2.353 -4.952 -17.002 1.00 64.30 N ATOM 1398 NH2 ARG A 84 -1.310 -6.942 -16.534 1.00 23.44 N ATOM 0 H ARG A 84 -8.361 -6.945 -18.606 1.00 42.14 H new ATOM 0 HA ARG A 84 -7.646 -6.731 -15.842 1.00 34.34 H new ATOM 0 HB2 ARG A 84 -6.931 -5.552 -18.420 1.00 50.11 H new ATOM 0 HB3 ARG A 84 -7.056 -4.321 -17.179 1.00 50.11 H new ATOM 0 HG2 ARG A 84 -5.054 -4.904 -16.357 1.00 73.43 H new ATOM 0 HG3 ARG A 84 -5.622 -6.534 -16.054 1.00 73.43 H new ATOM 0 HD2 ARG A 84 -5.190 -6.993 -18.556 1.00 32.13 H new ATOM 0 HD3 ARG A 84 -4.343 -5.460 -18.590 1.00 32.13 H new ATOM 0 HE ARG A 84 -3.408 -7.959 -17.400 1.00 43.25 H new ATOM 0 HH11 ARG A 84 -3.163 -4.438 -17.350 1.00 64.30 H new ATOM 0 HH12 ARG A 84 -1.534 -4.446 -16.665 1.00 64.30 H new ATOM 0 HH21 ARG A 84 -1.316 -7.962 -16.521 1.00 23.44 H new ATOM 0 HH22 ARG A 84 -0.493 -6.433 -16.198 1.00 23.44 H new ATOM 1412 N GLN A 85 -10.075 -4.885 -17.016 1.00 62.04 N ATOM 1413 CA GLN A 85 -11.146 -3.969 -16.644 1.00 62.01 C ATOM 1414 C GLN A 85 -11.981 -4.543 -15.503 1.00 41.34 C ATOM 1415 O GLN A 85 -12.137 -3.913 -14.457 1.00 34.23 O ATOM 1416 CB GLN A 85 -12.040 -3.680 -17.851 1.00 22.01 C ATOM 1417 CG GLN A 85 -13.094 -2.618 -17.586 1.00 34.24 C ATOM 1418 CD GLN A 85 -13.694 -2.059 -18.861 1.00 41.02 C ATOM 1419 OE1 GLN A 85 -14.076 -2.808 -19.761 1.00 33.21 O ATOM 1420 NE2 GLN A 85 -13.780 -0.737 -18.946 1.00 64.40 N ATOM 0 H GLN A 85 -10.145 -5.254 -17.964 1.00 62.04 H new ATOM 0 HA GLN A 85 -10.693 -3.037 -16.305 1.00 62.01 H new ATOM 0 HB2 GLN A 85 -11.417 -3.361 -18.686 1.00 22.01 H new ATOM 0 HB3 GLN A 85 -12.534 -4.602 -18.156 1.00 22.01 H new ATOM 0 HG2 GLN A 85 -13.887 -3.044 -16.972 1.00 34.24 H new ATOM 0 HG3 GLN A 85 -12.649 -1.805 -17.012 1.00 34.24 H new ATOM 0 HE21 GLN A 85 -13.451 -0.154 -18.176 1.00 64.40 H new ATOM 0 HE22 GLN A 85 -14.175 -0.304 -19.781 1.00 64.40 H new ATOM 1429 N LEU A 86 -12.515 -5.741 -15.713 1.00 42.30 N ATOM 1430 CA LEU A 86 -13.335 -6.400 -14.702 1.00 63.10 C ATOM 1431 C LEU A 86 -12.472 -6.931 -13.562 1.00 72.10 C ATOM 1432 O LEU A 86 -12.970 -7.215 -12.473 1.00 40.24 O ATOM 1433 CB LEU A 86 -14.131 -7.546 -15.330 1.00 42.52 C ATOM 1434 CG LEU A 86 -15.422 -7.150 -16.049 1.00 63.42 C ATOM 1435 CD1 LEU A 86 -16.374 -6.453 -15.090 1.00 14.43 C ATOM 1436 CD2 LEU A 86 -15.115 -6.258 -17.243 1.00 15.13 C ATOM 0 H LEU A 86 -12.395 -6.276 -16.573 1.00 42.30 H new ATOM 0 HA LEU A 86 -14.028 -5.664 -14.296 1.00 63.10 H new ATOM 0 HB2 LEU A 86 -13.486 -8.063 -16.041 1.00 42.52 H new ATOM 0 HB3 LEU A 86 -14.380 -8.262 -14.546 1.00 42.52 H new ATOM 0 HG LEU A 86 -15.906 -8.056 -16.414 1.00 63.42 H new ATOM 0 HD11 LEU A 86 -17.287 -6.179 -15.619 1.00 14.43 H new ATOM 0 HD12 LEU A 86 -16.619 -7.125 -14.268 1.00 14.43 H new ATOM 0 HD13 LEU A 86 -15.899 -5.555 -14.695 1.00 14.43 H new ATOM 0 HD21 LEU A 86 -16.045 -5.986 -17.743 1.00 15.13 H new ATOM 0 HD22 LEU A 86 -14.609 -5.355 -16.902 1.00 15.13 H new ATOM 0 HD23 LEU A 86 -14.471 -6.793 -17.941 1.00 15.13 H new ATOM 1448 N GLY A 87 -11.174 -7.061 -13.821 1.00 21.30 N ATOM 1449 CA GLY A 87 -10.262 -7.555 -12.806 1.00 71.34 C ATOM 1450 C GLY A 87 -10.190 -9.069 -12.779 1.00 52.23 C ATOM 1451 O GLY A 87 -9.762 -9.660 -11.786 1.00 13.44 O ATOM 0 H GLY A 87 -10.738 -6.833 -14.715 1.00 21.30 H new ATOM 0 HA2 GLY A 87 -9.267 -7.150 -12.988 1.00 71.34 H new ATOM 0 HA3 GLY A 87 -10.580 -7.192 -11.829 1.00 71.34 H new ATOM 1455 N ARG A 88 -10.610 -9.700 -13.871 1.00 11.54 N ATOM 1456 CA ARG A 88 -10.594 -11.154 -13.968 1.00 61.33 C ATOM 1457 C ARG A 88 -9.581 -11.618 -15.009 1.00 61.34 C ATOM 1458 O ARG A 88 -9.261 -10.907 -15.961 1.00 1.53 O ATOM 1459 CB ARG A 88 -11.986 -11.678 -14.326 1.00 32.41 C ATOM 1460 CG ARG A 88 -13.093 -11.117 -13.448 1.00 62.32 C ATOM 1461 CD ARG A 88 -13.043 -11.704 -12.045 1.00 55.21 C ATOM 1462 NE ARG A 88 -12.909 -10.671 -11.024 1.00 30.34 N ATOM 1463 CZ ARG A 88 -13.874 -9.811 -10.716 1.00 12.02 C ATOM 1464 NH1 ARG A 88 -15.038 -9.860 -11.350 1.00 63.33 N ATOM 1465 NH2 ARG A 88 -13.676 -8.898 -9.774 1.00 64.03 N ATOM 0 H ARG A 88 -10.966 -9.226 -14.701 1.00 11.54 H new ATOM 0 HA ARG A 88 -10.301 -11.555 -12.998 1.00 61.33 H new ATOM 0 HB2 ARG A 88 -12.200 -11.434 -15.366 1.00 32.41 H new ATOM 0 HB3 ARG A 88 -11.987 -12.765 -14.247 1.00 32.41 H new ATOM 0 HG2 ARG A 88 -13.001 -10.032 -13.393 1.00 62.32 H new ATOM 0 HG3 ARG A 88 -14.061 -11.332 -13.899 1.00 62.32 H new ATOM 0 HD2 ARG A 88 -13.950 -12.280 -11.861 1.00 55.21 H new ATOM 0 HD3 ARG A 88 -12.205 -12.397 -11.972 1.00 55.21 H new ATOM 0 HE ARG A 88 -12.026 -10.605 -10.518 1.00 30.34 H new ATOM 0 HH11 ARG A 88 -15.194 -10.559 -12.076 1.00 63.33 H new ATOM 0 HH12 ARG A 88 -15.777 -9.199 -11.111 1.00 63.33 H new ATOM 0 HH21 ARG A 88 -12.782 -8.855 -9.285 1.00 64.03 H new ATOM 0 HH22 ARG A 88 -14.418 -8.239 -9.539 1.00 64.03 H new ATOM 1479 N PRO A 89 -9.063 -12.843 -14.826 1.00 2.33 N ATOM 1480 CA PRO A 89 -8.078 -13.430 -15.740 1.00 13.32 C ATOM 1481 C PRO A 89 -8.682 -13.781 -17.095 1.00 44.13 C ATOM 1482 O PRO A 89 -8.150 -13.403 -18.138 1.00 22.12 O ATOM 1483 CB PRO A 89 -7.629 -14.698 -15.009 1.00 44.25 C ATOM 1484 CG PRO A 89 -8.775 -15.052 -14.126 1.00 24.13 C ATOM 1485 CD PRO A 89 -9.399 -13.747 -13.714 1.00 23.31 C ATOM 0 HA PRO A 89 -7.265 -12.739 -15.963 1.00 13.32 H new ATOM 0 HB2 PRO A 89 -7.407 -15.502 -15.711 1.00 44.25 H new ATOM 0 HB3 PRO A 89 -6.723 -14.521 -14.430 1.00 44.25 H new ATOM 0 HG2 PRO A 89 -9.494 -15.679 -14.653 1.00 24.13 H new ATOM 0 HG3 PRO A 89 -8.438 -15.615 -13.256 1.00 24.13 H new ATOM 0 HD2 PRO A 89 -10.477 -13.840 -13.584 1.00 23.31 H new ATOM 0 HD3 PRO A 89 -8.993 -13.388 -12.768 1.00 23.31 H new ATOM 1493 N GLU A 90 -9.796 -14.506 -17.072 1.00 61.13 N ATOM 1494 CA GLU A 90 -10.471 -14.909 -18.300 1.00 22.12 C ATOM 1495 C GLU A 90 -11.669 -15.803 -17.994 1.00 50.54 C ATOM 1496 O GLU A 90 -12.734 -15.659 -18.595 1.00 23.23 O ATOM 1497 CB GLU A 90 -9.497 -15.639 -19.228 1.00 30.35 C ATOM 1498 CG GLU A 90 -9.294 -14.946 -20.564 1.00 50.33 C ATOM 1499 CD GLU A 90 -8.033 -15.402 -21.273 1.00 22.54 C ATOM 1500 OE1 GLU A 90 -7.137 -15.950 -20.595 1.00 12.44 O ATOM 1501 OE2 GLU A 90 -7.942 -15.212 -22.503 1.00 61.11 O ATOM 0 H GLU A 90 -10.250 -14.826 -16.217 1.00 61.13 H new ATOM 0 HA GLU A 90 -10.830 -14.009 -18.799 1.00 22.12 H new ATOM 0 HB2 GLU A 90 -8.533 -15.734 -18.727 1.00 30.35 H new ATOM 0 HB3 GLU A 90 -9.865 -16.650 -19.405 1.00 30.35 H new ATOM 0 HG2 GLU A 90 -10.156 -15.139 -21.203 1.00 50.33 H new ATOM 0 HG3 GLU A 90 -9.248 -13.868 -20.407 1.00 50.33 H new ATOM 1508 N SER A 91 -11.485 -16.728 -17.058 1.00 54.20 N ATOM 1509 CA SER A 91 -12.548 -17.650 -16.675 1.00 54.25 C ATOM 1510 C SER A 91 -13.836 -16.895 -16.364 1.00 31.04 C ATOM 1511 O SER A 91 -14.892 -17.181 -16.930 1.00 70.42 O ATOM 1512 CB SER A 91 -12.122 -18.477 -15.462 1.00 31.53 C ATOM 1513 OG SER A 91 -11.204 -19.491 -15.832 1.00 3.13 O ATOM 0 H SER A 91 -10.610 -16.859 -16.551 1.00 54.20 H new ATOM 0 HA SER A 91 -12.734 -18.320 -17.514 1.00 54.25 H new ATOM 0 HB2 SER A 91 -11.667 -17.826 -14.716 1.00 31.53 H new ATOM 0 HB3 SER A 91 -13.000 -18.928 -14.999 1.00 31.53 H new ATOM 0 HG SER A 91 -10.946 -20.004 -15.038 1.00 3.13 H new ATOM 1519 N THR A 92 -13.743 -15.926 -15.459 1.00 4.21 N ATOM 1520 CA THR A 92 -14.899 -15.129 -15.069 1.00 3.44 C ATOM 1521 C THR A 92 -15.574 -14.509 -16.287 1.00 4.15 C ATOM 1522 O THR A 92 -16.786 -14.630 -16.466 1.00 33.30 O ATOM 1523 CB THR A 92 -14.504 -14.008 -14.088 1.00 52.03 C ATOM 1524 OG1 THR A 92 -13.544 -14.497 -13.145 1.00 52.05 O ATOM 1525 CG2 THR A 92 -15.725 -13.481 -13.350 1.00 10.25 C ATOM 0 H THR A 92 -12.877 -15.674 -14.982 1.00 4.21 H new ATOM 0 HA THR A 92 -15.597 -15.804 -14.574 1.00 3.44 H new ATOM 0 HB THR A 92 -14.065 -13.192 -14.661 1.00 52.03 H new ATOM 0 HG1 THR A 92 -13.904 -14.412 -12.238 1.00 52.05 H new ATOM 0 HG21 THR A 92 -15.422 -12.691 -12.663 1.00 10.25 H new ATOM 0 HG22 THR A 92 -16.441 -13.082 -14.069 1.00 10.25 H new ATOM 0 HG23 THR A 92 -16.189 -14.292 -12.788 1.00 10.25 H new ATOM 1533 N ILE A 93 -14.782 -13.843 -17.122 1.00 75.51 N ATOM 1534 CA ILE A 93 -15.305 -13.206 -18.324 1.00 71.04 C ATOM 1535 C ILE A 93 -16.091 -14.197 -19.175 1.00 40.33 C ATOM 1536 O ILE A 93 -17.168 -13.880 -19.681 1.00 50.21 O ATOM 1537 CB ILE A 93 -14.174 -12.599 -19.176 1.00 63.15 C ATOM 1538 CG1 ILE A 93 -13.381 -11.577 -18.359 1.00 33.31 C ATOM 1539 CG2 ILE A 93 -14.743 -11.955 -20.431 1.00 12.52 C ATOM 1540 CD1 ILE A 93 -14.203 -10.384 -17.923 1.00 52.43 C ATOM 0 H ILE A 93 -13.777 -13.731 -16.988 1.00 75.51 H new ATOM 0 HA ILE A 93 -15.970 -12.408 -17.994 1.00 71.04 H new ATOM 0 HB ILE A 93 -13.497 -13.399 -19.476 1.00 63.15 H new ATOM 0 HG12 ILE A 93 -12.972 -12.068 -17.476 1.00 33.31 H new ATOM 0 HG13 ILE A 93 -12.535 -11.228 -18.951 1.00 33.31 H new ATOM 0 HG21 ILE A 93 -13.931 -11.531 -21.022 1.00 12.52 H new ATOM 0 HG22 ILE A 93 -15.267 -12.707 -21.021 1.00 12.52 H new ATOM 0 HG23 ILE A 93 -15.439 -11.165 -20.151 1.00 12.52 H new ATOM 0 HD11 ILE A 93 -13.577 -9.701 -17.349 1.00 52.43 H new ATOM 0 HD12 ILE A 93 -14.591 -9.869 -18.802 1.00 52.43 H new ATOM 0 HD13 ILE A 93 -15.034 -10.722 -17.304 1.00 52.43 H new ATOM 1552 N TYR A 94 -15.547 -15.400 -19.327 1.00 53.41 N ATOM 1553 CA TYR A 94 -16.198 -16.439 -20.117 1.00 4.41 C ATOM 1554 C TYR A 94 -17.632 -16.662 -19.648 1.00 11.10 C ATOM 1555 O TYR A 94 -18.543 -16.831 -20.459 1.00 75.20 O ATOM 1556 CB TYR A 94 -15.410 -17.747 -20.026 1.00 23.41 C ATOM 1557 CG TYR A 94 -14.824 -18.195 -21.345 1.00 32.12 C ATOM 1558 CD1 TYR A 94 -14.108 -17.314 -22.145 1.00 63.21 C ATOM 1559 CD2 TYR A 94 -14.988 -19.501 -21.793 1.00 32.34 C ATOM 1560 CE1 TYR A 94 -13.572 -17.719 -23.352 1.00 41.20 C ATOM 1561 CE2 TYR A 94 -14.454 -19.915 -22.997 1.00 21.10 C ATOM 1562 CZ TYR A 94 -13.747 -19.021 -23.774 1.00 32.13 C ATOM 1563 OH TYR A 94 -13.214 -19.429 -24.975 1.00 31.25 O ATOM 0 H TYR A 94 -14.657 -15.679 -18.914 1.00 53.41 H new ATOM 0 HA TYR A 94 -16.222 -16.109 -21.155 1.00 4.41 H new ATOM 0 HB2 TYR A 94 -14.604 -17.626 -19.303 1.00 23.41 H new ATOM 0 HB3 TYR A 94 -16.065 -18.530 -19.645 1.00 23.41 H new ATOM 0 HD1 TYR A 94 -13.968 -16.294 -21.818 1.00 63.21 H new ATOM 0 HD2 TYR A 94 -15.543 -20.204 -21.189 1.00 32.34 H new ATOM 0 HE1 TYR A 94 -13.019 -17.020 -23.962 1.00 41.20 H new ATOM 0 HE2 TYR A 94 -14.589 -20.934 -23.329 1.00 21.10 H new ATOM 0 HH TYR A 94 -13.427 -20.374 -25.123 1.00 31.25 H new