USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 521 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 18 GLN : amide:sc= -0.663 K(o=-0.062,f=-0.62) USER MOD Set 1.2: A 22 THR OG1 : rot 73:sc= 0.601 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= -0.0433 (180deg=-0.3) USER MOD Single : A 27 HIS : no HD1:sc= 0.245 K(o=0.24,f=-2.5!) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.457 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 176:sc= -0.812 (180deg=-0.826) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 40 ASN : amide:sc= -0.0196 K(o=-0.02,f=-1.1) USER MOD Single : A 41 CYS SG : rot -18:sc= -3.14! USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= -2.17! (180deg=-3.98!) USER MOD Single : A 44 LYS NZ :NH3+ -140:sc= 1.11 (180deg=-0.852) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -173:sc= -0.0115 (180deg=-0.0957) USER MOD Single : A 50 SER OG : rot -138:sc= 0.097 USER MOD Single : A 51 SER OG : rot -14:sc= 0.141 USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= -0.0144 (180deg=-0.122) USER MOD Single : A 57 LYS NZ :NH3+ -171:sc= -0.0221 (180deg=-0.133) USER MOD Single : A 58 THR OG1 : rot 162:sc= 0.0818 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 69 TYR OH : rot 24:sc= -0.199 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 11.263 4.983 -1.140 1.00 61.42 N ATOM 220 CA ILE A 15 10.241 5.083 -2.191 1.00 55.45 C ATOM 221 C ILE A 15 8.967 5.806 -1.698 1.00 33.12 C ATOM 222 O ILE A 15 8.477 5.540 -0.597 1.00 32.41 O ATOM 223 CB ILE A 15 9.875 3.672 -2.720 1.00 61.21 C ATOM 224 CG1 ILE A 15 11.085 3.047 -3.442 1.00 51.54 C ATOM 225 CG2 ILE A 15 8.660 3.729 -3.640 1.00 11.42 C ATOM 226 CD1 ILE A 15 10.794 1.707 -4.088 1.00 32.43 C ATOM 0 HA ILE A 15 10.666 5.678 -2.999 1.00 55.45 H new ATOM 0 HB ILE A 15 9.614 3.042 -1.870 1.00 61.21 H new ATOM 0 HG12 ILE A 15 11.435 3.739 -4.208 1.00 51.54 H new ATOM 0 HG13 ILE A 15 11.898 2.925 -2.727 1.00 51.54 H new ATOM 0 HG21 ILE A 15 8.426 2.726 -3.996 1.00 11.42 H new ATOM 0 HG22 ILE A 15 7.807 4.128 -3.091 1.00 11.42 H new ATOM 0 HG23 ILE A 15 8.878 4.374 -4.491 1.00 11.42 H new ATOM 0 HD11 ILE A 15 11.695 1.334 -4.575 1.00 32.43 H new ATOM 0 HD12 ILE A 15 10.474 0.997 -3.325 1.00 32.43 H new ATOM 0 HD13 ILE A 15 10.004 1.824 -4.829 1.00 32.43 H new ATOM 238 N THR A 16 8.437 6.717 -2.525 1.00 31.51 N ATOM 239 CA THR A 16 7.238 7.499 -2.167 1.00 60.52 C ATOM 240 C THR A 16 5.966 6.638 -2.186 1.00 72.34 C ATOM 241 O THR A 16 5.937 5.573 -2.800 1.00 31.22 O ATOM 242 CB THR A 16 7.036 8.707 -3.114 1.00 30.43 C ATOM 243 OG1 THR A 16 6.823 8.262 -4.462 1.00 0.12 O ATOM 244 CG2 THR A 16 8.242 9.639 -3.066 1.00 40.31 C ATOM 0 H THR A 16 8.817 6.933 -3.447 1.00 31.51 H new ATOM 0 HA THR A 16 7.409 7.862 -1.153 1.00 60.52 H new ATOM 0 HB THR A 16 6.155 9.253 -2.777 1.00 30.43 H new ATOM 0 HG1 THR A 16 6.695 9.038 -5.046 1.00 0.12 H new ATOM 0 HG21 THR A 16 8.078 10.481 -3.739 1.00 40.31 H new ATOM 0 HG22 THR A 16 8.376 10.008 -2.049 1.00 40.31 H new ATOM 0 HG23 THR A 16 9.135 9.095 -3.375 1.00 40.31 H new ATOM 252 N LEU A 17 4.906 7.123 -1.528 1.00 25.45 N ATOM 253 CA LEU A 17 3.663 6.350 -1.356 1.00 35.12 C ATOM 254 C LEU A 17 3.096 5.827 -2.690 1.00 65.13 C ATOM 255 O LEU A 17 2.683 4.670 -2.784 1.00 32.12 O ATOM 256 CB LEU A 17 2.608 7.206 -0.638 1.00 71.14 C ATOM 257 CG LEU A 17 1.280 6.494 -0.320 1.00 15.21 C ATOM 258 CD1 LEU A 17 1.511 5.297 0.604 1.00 22.32 C ATOM 259 CD2 LEU A 17 0.280 7.474 0.296 1.00 10.51 C ATOM 0 H LEU A 17 4.881 8.050 -1.103 1.00 25.45 H new ATOM 0 HA LEU A 17 3.911 5.478 -0.751 1.00 35.12 H new ATOM 0 HB2 LEU A 17 3.036 7.572 0.295 1.00 71.14 H new ATOM 0 HB3 LEU A 17 2.393 8.079 -1.254 1.00 71.14 H new ATOM 0 HG LEU A 17 0.860 6.120 -1.254 1.00 15.21 H new ATOM 0 HD11 LEU A 17 0.559 4.810 0.814 1.00 22.32 H new ATOM 0 HD12 LEU A 17 2.182 4.587 0.119 1.00 22.32 H new ATOM 0 HD13 LEU A 17 1.958 5.639 1.538 1.00 22.32 H new ATOM 0 HD21 LEU A 17 -0.652 6.953 0.514 1.00 10.51 H new ATOM 0 HD22 LEU A 17 0.692 7.882 1.219 1.00 10.51 H new ATOM 0 HD23 LEU A 17 0.087 8.286 -0.405 1.00 10.51 H new ATOM 271 N GLN A 18 3.078 6.677 -3.714 1.00 73.33 N ATOM 272 CA GLN A 18 2.554 6.298 -5.037 1.00 11.11 C ATOM 273 C GLN A 18 3.315 5.090 -5.613 1.00 60.10 C ATOM 274 O GLN A 18 2.716 4.066 -5.967 1.00 40.23 O ATOM 275 CB GLN A 18 2.638 7.510 -5.987 1.00 62.15 C ATOM 276 CG GLN A 18 1.968 7.322 -7.355 1.00 54.43 C ATOM 277 CD GLN A 18 2.837 6.594 -8.371 1.00 20.41 C ATOM 278 OE1 GLN A 18 2.789 5.375 -8.499 1.00 63.12 O ATOM 279 NE2 GLN A 18 3.640 7.339 -9.100 1.00 63.32 N ATOM 0 H GLN A 18 3.420 7.637 -3.659 1.00 73.33 H new ATOM 0 HA GLN A 18 1.511 6.000 -4.931 1.00 11.11 H new ATOM 0 HB2 GLN A 18 2.183 8.369 -5.494 1.00 62.15 H new ATOM 0 HB3 GLN A 18 3.689 7.753 -6.146 1.00 62.15 H new ATOM 0 HG2 GLN A 18 1.040 6.767 -7.221 1.00 54.43 H new ATOM 0 HG3 GLN A 18 1.700 8.300 -7.755 1.00 54.43 H new ATOM 0 HE21 GLN A 18 3.656 8.350 -8.969 1.00 63.32 H new ATOM 0 HE22 GLN A 18 4.246 6.905 -9.796 1.00 63.32 H new ATOM 288 N LYS A 19 4.636 5.208 -5.696 1.00 51.51 N ATOM 289 CA LYS A 19 5.472 4.125 -6.222 1.00 22.31 C ATOM 290 C LYS A 19 5.466 2.911 -5.276 1.00 63.44 C ATOM 291 O LYS A 19 5.536 1.766 -5.721 1.00 63.45 O ATOM 292 CB LYS A 19 6.909 4.624 -6.434 1.00 73.32 C ATOM 293 CG LYS A 19 7.845 3.583 -7.047 1.00 64.41 C ATOM 294 CD LYS A 19 7.504 3.284 -8.503 1.00 54.13 C ATOM 295 CE LYS A 19 7.791 4.477 -9.407 1.00 30.02 C ATOM 296 NZ LYS A 19 9.228 4.858 -9.389 1.00 30.24 N ATOM 0 H LYS A 19 5.153 6.038 -5.408 1.00 51.51 H new ATOM 0 HA LYS A 19 5.058 3.810 -7.180 1.00 22.31 H new ATOM 0 HB2 LYS A 19 6.886 5.502 -7.080 1.00 73.32 H new ATOM 0 HB3 LYS A 19 7.317 4.944 -5.475 1.00 73.32 H new ATOM 0 HG2 LYS A 19 8.873 3.939 -6.983 1.00 64.41 H new ATOM 0 HG3 LYS A 19 7.790 2.662 -6.467 1.00 64.41 H new ATOM 0 HD2 LYS A 19 8.081 2.424 -8.842 1.00 54.13 H new ATOM 0 HD3 LYS A 19 6.451 3.013 -8.582 1.00 54.13 H new ATOM 0 HE2 LYS A 19 7.492 4.238 -10.428 1.00 30.02 H new ATOM 0 HE3 LYS A 19 7.187 5.327 -9.088 1.00 30.02 H new ATOM 0 HZ1 LYS A 19 9.437 5.463 -10.208 1.00 30.24 H new ATOM 0 HZ2 LYS A 19 9.439 5.377 -8.513 1.00 30.24 H new ATOM 0 HZ3 LYS A 19 9.815 4.001 -9.433 1.00 30.24 H new ATOM 310 N LEU A 20 5.364 3.176 -3.973 1.00 24.40 N ATOM 311 CA LEU A 20 5.332 2.121 -2.952 1.00 32.42 C ATOM 312 C LEU A 20 4.097 1.222 -3.133 1.00 33.21 C ATOM 313 O LEU A 20 4.204 -0.007 -3.145 1.00 13.34 O ATOM 314 CB LEU A 20 5.359 2.763 -1.548 1.00 71.13 C ATOM 315 CG LEU A 20 5.517 1.804 -0.346 1.00 4.11 C ATOM 316 CD1 LEU A 20 6.103 2.548 0.854 1.00 10.12 C ATOM 317 CD2 LEU A 20 4.181 1.168 0.040 1.00 0.42 C ATOM 0 H LEU A 20 5.301 4.121 -3.594 1.00 24.40 H new ATOM 0 HA LEU A 20 6.212 1.487 -3.063 1.00 32.42 H new ATOM 0 HB2 LEU A 20 6.178 3.482 -1.519 1.00 71.13 H new ATOM 0 HB3 LEU A 20 4.435 3.326 -1.414 1.00 71.13 H new ATOM 0 HG LEU A 20 6.199 1.008 -0.645 1.00 4.11 H new ATOM 0 HD11 LEU A 20 6.208 1.860 1.693 1.00 10.12 H new ATOM 0 HD12 LEU A 20 7.081 2.951 0.590 1.00 10.12 H new ATOM 0 HD13 LEU A 20 5.438 3.364 1.136 1.00 10.12 H new ATOM 0 HD21 LEU A 20 4.328 0.500 0.888 1.00 0.42 H new ATOM 0 HD22 LEU A 20 3.471 1.949 0.312 1.00 0.42 H new ATOM 0 HD23 LEU A 20 3.790 0.601 -0.805 1.00 0.42 H new ATOM 329 N LEU A 21 2.926 1.843 -3.271 1.00 32.44 N ATOM 330 CA LEU A 21 1.685 1.108 -3.533 1.00 24.20 C ATOM 331 C LEU A 21 1.797 0.305 -4.840 1.00 42.03 C ATOM 332 O LEU A 21 1.391 -0.858 -4.908 1.00 70.24 O ATOM 333 CB LEU A 21 0.504 2.086 -3.603 1.00 11.04 C ATOM 334 CG LEU A 21 -0.881 1.440 -3.791 1.00 53.31 C ATOM 335 CD1 LEU A 21 -1.220 0.522 -2.617 1.00 24.14 C ATOM 336 CD2 LEU A 21 -1.953 2.513 -3.969 1.00 45.54 C ATOM 0 H LEU A 21 2.809 2.854 -3.206 1.00 32.44 H new ATOM 0 HA LEU A 21 1.514 0.406 -2.717 1.00 24.20 H new ATOM 0 HB2 LEU A 21 0.489 2.676 -2.687 1.00 11.04 H new ATOM 0 HB3 LEU A 21 0.677 2.779 -4.426 1.00 11.04 H new ATOM 0 HG LEU A 21 -0.853 0.831 -4.695 1.00 53.31 H new ATOM 0 HD11 LEU A 21 -2.203 0.078 -2.774 1.00 24.14 H new ATOM 0 HD12 LEU A 21 -0.473 -0.268 -2.545 1.00 24.14 H new ATOM 0 HD13 LEU A 21 -1.226 1.100 -1.693 1.00 24.14 H new ATOM 0 HD21 LEU A 21 -2.925 2.038 -4.101 1.00 45.54 H new ATOM 0 HD22 LEU A 21 -1.978 3.152 -3.086 1.00 45.54 H new ATOM 0 HD23 LEU A 21 -1.722 3.116 -4.847 1.00 45.54 H new ATOM 348 N THR A 22 2.365 0.937 -5.870 1.00 5.43 N ATOM 349 CA THR A 22 2.625 0.263 -7.152 1.00 73.23 C ATOM 350 C THR A 22 3.491 -0.992 -6.942 1.00 41.21 C ATOM 351 O THR A 22 3.167 -2.070 -7.442 1.00 73.54 O ATOM 352 CB THR A 22 3.331 1.208 -8.162 1.00 74.42 C ATOM 353 OG1 THR A 22 2.535 2.389 -8.385 1.00 52.34 O ATOM 354 CG2 THR A 22 3.580 0.506 -9.497 1.00 4.23 C ATOM 0 H THR A 22 2.655 1.915 -5.845 1.00 5.43 H new ATOM 0 HA THR A 22 1.658 -0.026 -7.563 1.00 73.23 H new ATOM 0 HB THR A 22 4.292 1.491 -7.732 1.00 74.42 H new ATOM 0 HG1 THR A 22 2.576 2.965 -7.594 1.00 52.34 H new ATOM 0 HG21 THR A 22 4.075 1.193 -10.183 1.00 4.23 H new ATOM 0 HG22 THR A 22 4.214 -0.366 -9.337 1.00 4.23 H new ATOM 0 HG23 THR A 22 2.629 0.190 -9.925 1.00 4.23 H new ATOM 362 N GLU A 23 4.582 -0.839 -6.186 1.00 21.50 N ATOM 363 CA GLU A 23 5.452 -1.964 -5.810 1.00 11.02 C ATOM 364 C GLU A 23 4.649 -3.108 -5.177 1.00 61.20 C ATOM 365 O GLU A 23 4.784 -4.269 -5.570 1.00 11.01 O ATOM 366 CB GLU A 23 6.535 -1.489 -4.823 1.00 3.22 C ATOM 367 CG GLU A 23 7.701 -0.743 -5.467 1.00 50.03 C ATOM 368 CD GLU A 23 8.663 -1.678 -6.187 1.00 65.33 C ATOM 369 OE1 GLU A 23 9.404 -2.415 -5.496 1.00 44.30 O ATOM 370 OE2 GLU A 23 8.678 -1.690 -7.432 1.00 34.23 O ATOM 0 H GLU A 23 4.888 0.062 -5.818 1.00 21.50 H new ATOM 0 HA GLU A 23 5.922 -2.338 -6.720 1.00 11.02 H new ATOM 0 HB2 GLU A 23 6.071 -0.839 -4.081 1.00 3.22 H new ATOM 0 HB3 GLU A 23 6.926 -2.355 -4.289 1.00 3.22 H new ATOM 0 HG2 GLU A 23 7.313 -0.010 -6.175 1.00 50.03 H new ATOM 0 HG3 GLU A 23 8.243 -0.190 -4.700 1.00 50.03 H new ATOM 377 N LEU A 24 3.815 -2.780 -4.196 1.00 5.12 N ATOM 378 CA LEU A 24 3.006 -3.783 -3.500 1.00 21.34 C ATOM 379 C LEU A 24 2.072 -4.542 -4.460 1.00 2.33 C ATOM 380 O LEU A 24 1.865 -5.746 -4.311 1.00 32.14 O ATOM 381 CB LEU A 24 2.200 -3.125 -2.378 1.00 53.24 C ATOM 382 CG LEU A 24 3.037 -2.535 -1.229 1.00 24.43 C ATOM 383 CD1 LEU A 24 2.133 -1.933 -0.159 1.00 12.44 C ATOM 384 CD2 LEU A 24 3.959 -3.597 -0.629 1.00 73.33 C ATOM 0 H LEU A 24 3.679 -1.826 -3.862 1.00 5.12 H new ATOM 0 HA LEU A 24 3.690 -4.515 -3.070 1.00 21.34 H new ATOM 0 HB2 LEU A 24 1.591 -2.330 -2.808 1.00 53.24 H new ATOM 0 HB3 LEU A 24 1.514 -3.864 -1.964 1.00 53.24 H new ATOM 0 HG LEU A 24 3.660 -1.738 -1.635 1.00 24.43 H new ATOM 0 HD11 LEU A 24 2.744 -1.521 0.644 1.00 12.44 H new ATOM 0 HD12 LEU A 24 1.528 -1.139 -0.598 1.00 12.44 H new ATOM 0 HD13 LEU A 24 1.479 -2.707 0.243 1.00 12.44 H new ATOM 0 HD21 LEU A 24 4.541 -3.158 0.181 1.00 73.33 H new ATOM 0 HD22 LEU A 24 3.360 -4.421 -0.241 1.00 73.33 H new ATOM 0 HD23 LEU A 24 4.634 -3.970 -1.399 1.00 73.33 H new ATOM 396 N VAL A 25 1.516 -3.843 -5.447 1.00 4.04 N ATOM 397 CA VAL A 25 0.670 -4.481 -6.463 1.00 34.02 C ATOM 398 C VAL A 25 1.514 -5.334 -7.430 1.00 13.22 C ATOM 399 O VAL A 25 1.111 -6.430 -7.828 1.00 31.40 O ATOM 400 CB VAL A 25 -0.137 -3.430 -7.269 1.00 42.15 C ATOM 401 CG1 VAL A 25 -1.046 -4.110 -8.293 1.00 42.44 C ATOM 402 CG2 VAL A 25 -0.944 -2.535 -6.331 1.00 74.04 C ATOM 0 H VAL A 25 1.633 -2.837 -5.568 1.00 4.04 H new ATOM 0 HA VAL A 25 -0.030 -5.129 -5.935 1.00 34.02 H new ATOM 0 HB VAL A 25 0.569 -2.802 -7.812 1.00 42.15 H new ATOM 0 HG11 VAL A 25 -1.602 -3.353 -8.846 1.00 42.44 H new ATOM 0 HG12 VAL A 25 -0.440 -4.694 -8.986 1.00 42.44 H new ATOM 0 HG13 VAL A 25 -1.745 -4.769 -7.778 1.00 42.44 H new ATOM 0 HG21 VAL A 25 -1.503 -1.805 -6.916 1.00 74.04 H new ATOM 0 HG22 VAL A 25 -1.638 -3.145 -5.754 1.00 74.04 H new ATOM 0 HG23 VAL A 25 -0.267 -2.015 -5.653 1.00 74.04 H new ATOM 412 N GLU A 26 2.686 -4.819 -7.796 1.00 61.43 N ATOM 413 CA GLU A 26 3.629 -5.529 -8.672 1.00 60.41 C ATOM 414 C GLU A 26 4.161 -6.820 -8.022 1.00 21.14 C ATOM 415 O GLU A 26 4.372 -7.829 -8.697 1.00 33.30 O ATOM 416 CB GLU A 26 4.815 -4.610 -9.021 1.00 20.42 C ATOM 417 CG GLU A 26 4.504 -3.528 -10.055 1.00 5.11 C ATOM 418 CD GLU A 26 4.367 -4.086 -11.464 1.00 12.11 C ATOM 419 OE1 GLU A 26 5.391 -4.534 -12.031 1.00 21.24 O ATOM 420 OE2 GLU A 26 3.244 -4.082 -12.016 1.00 44.34 O ATOM 0 H GLU A 26 3.013 -3.900 -7.497 1.00 61.43 H new ATOM 0 HA GLU A 26 3.087 -5.805 -9.577 1.00 60.41 H new ATOM 0 HB2 GLU A 26 5.166 -4.130 -8.107 1.00 20.42 H new ATOM 0 HB3 GLU A 26 5.635 -5.224 -9.393 1.00 20.42 H new ATOM 0 HG2 GLU A 26 3.580 -3.021 -9.778 1.00 5.11 H new ATOM 0 HG3 GLU A 26 5.296 -2.779 -10.040 1.00 5.11 H new ATOM 427 N HIS A 27 4.399 -6.774 -6.711 1.00 30.01 N ATOM 428 CA HIS A 27 4.961 -7.920 -5.986 1.00 32.40 C ATOM 429 C HIS A 27 3.859 -8.821 -5.390 1.00 0.45 C ATOM 430 O HIS A 27 3.813 -10.019 -5.676 1.00 30.05 O ATOM 431 CB HIS A 27 5.916 -7.431 -4.885 1.00 12.24 C ATOM 432 CG HIS A 27 7.084 -6.637 -5.407 1.00 3.44 C ATOM 433 ND1 HIS A 27 8.049 -7.170 -6.236 1.00 74.45 N ATOM 434 CD2 HIS A 27 7.437 -5.342 -5.218 1.00 1.34 C ATOM 435 CE1 HIS A 27 8.938 -6.242 -6.533 1.00 53.15 C ATOM 436 NE2 HIS A 27 8.591 -5.126 -5.929 1.00 30.14 N ATOM 0 H HIS A 27 4.213 -5.958 -6.128 1.00 30.01 H new ATOM 0 HA HIS A 27 5.520 -8.525 -6.700 1.00 32.40 H new ATOM 0 HB2 HIS A 27 5.358 -6.817 -4.178 1.00 12.24 H new ATOM 0 HB3 HIS A 27 6.291 -8.292 -4.333 1.00 12.24 H new ATOM 0 HD2 HIS A 27 6.908 -4.615 -4.619 1.00 1.34 H new ATOM 0 HE1 HIS A 27 9.804 -6.376 -7.165 1.00 53.15 H new ATOM 0 HE2 HIS A 27 9.098 -4.242 -5.981 1.00 30.14 H new ATOM 445 N TYR A 28 2.975 -8.244 -4.572 1.00 24.42 N ATOM 446 CA TYR A 28 1.882 -9.009 -3.946 1.00 74.33 C ATOM 447 C TYR A 28 0.625 -9.037 -4.832 1.00 75.12 C ATOM 448 O TYR A 28 0.267 -10.076 -5.390 1.00 5.33 O ATOM 449 CB TYR A 28 1.519 -8.422 -2.569 1.00 11.40 C ATOM 450 CG TYR A 28 2.603 -8.565 -1.517 1.00 51.44 C ATOM 451 CD1 TYR A 28 2.793 -9.773 -0.851 1.00 4.03 C ATOM 452 CD2 TYR A 28 3.426 -7.495 -1.180 1.00 4.33 C ATOM 453 CE1 TYR A 28 3.770 -9.908 0.118 1.00 1.41 C ATOM 454 CE2 TYR A 28 4.403 -7.623 -0.210 1.00 21.22 C ATOM 455 CZ TYR A 28 4.572 -8.831 0.436 1.00 12.23 C ATOM 456 OH TYR A 28 5.544 -8.964 1.405 1.00 0.34 O ATOM 0 H TYR A 28 2.990 -7.254 -4.326 1.00 24.42 H new ATOM 0 HA TYR A 28 2.242 -10.030 -3.822 1.00 74.33 H new ATOM 0 HB2 TYR A 28 1.285 -7.364 -2.690 1.00 11.40 H new ATOM 0 HB3 TYR A 28 0.614 -8.910 -2.208 1.00 11.40 H new ATOM 0 HD1 TYR A 28 2.167 -10.618 -1.095 1.00 4.03 H new ATOM 0 HD2 TYR A 28 3.300 -6.549 -1.685 1.00 4.33 H new ATOM 0 HE1 TYR A 28 3.905 -10.853 0.624 1.00 1.41 H new ATOM 0 HE2 TYR A 28 5.031 -6.781 0.041 1.00 21.22 H new ATOM 0 HH TYR A 28 5.864 -9.890 1.422 1.00 0.34 H new ATOM 466 N GLY A 29 -0.037 -7.889 -4.957 1.00 71.24 N ATOM 467 CA GLY A 29 -1.299 -7.813 -5.695 1.00 44.21 C ATOM 468 C GLY A 29 -2.403 -7.118 -4.903 1.00 33.54 C ATOM 469 O GLY A 29 -2.314 -6.999 -3.678 1.00 20.42 O ATOM 0 H GLY A 29 0.276 -7.003 -4.560 1.00 71.24 H new ATOM 0 HA2 GLY A 29 -1.136 -7.278 -6.631 1.00 44.21 H new ATOM 0 HA3 GLY A 29 -1.624 -8.820 -5.956 1.00 44.21 H new ATOM 473 N TRP A 30 -3.454 -6.672 -5.593 1.00 73.12 N ATOM 474 CA TRP A 30 -4.546 -5.921 -4.953 1.00 21.33 C ATOM 475 C TRP A 30 -5.251 -6.717 -3.841 1.00 1.45 C ATOM 476 O TRP A 30 -5.450 -6.204 -2.737 1.00 14.25 O ATOM 477 CB TRP A 30 -5.572 -5.459 -5.997 1.00 15.21 C ATOM 478 CG TRP A 30 -5.087 -4.310 -6.834 1.00 0.12 C ATOM 479 CD1 TRP A 30 -4.748 -4.333 -8.156 1.00 54.33 C ATOM 480 CD2 TRP A 30 -4.874 -2.964 -6.385 1.00 21.22 C ATOM 481 NE1 TRP A 30 -4.346 -3.082 -8.560 1.00 23.45 N ATOM 482 CE2 TRP A 30 -4.414 -2.225 -7.490 1.00 32.13 C ATOM 483 CE3 TRP A 30 -5.036 -2.313 -5.156 1.00 72.42 C ATOM 484 CZ2 TRP A 30 -4.108 -0.869 -7.401 1.00 71.22 C ATOM 485 CZ3 TRP A 30 -4.732 -0.965 -5.071 1.00 34.13 C ATOM 486 CH2 TRP A 30 -4.273 -0.257 -6.189 1.00 10.43 C ATOM 0 H TRP A 30 -3.576 -6.816 -6.595 1.00 73.12 H new ATOM 0 HA TRP A 30 -4.086 -5.052 -4.484 1.00 21.33 H new ATOM 0 HB2 TRP A 30 -5.819 -6.296 -6.649 1.00 15.21 H new ATOM 0 HB3 TRP A 30 -6.492 -5.168 -5.489 1.00 15.21 H new ATOM 0 HD1 TRP A 30 -4.789 -5.206 -8.791 1.00 54.33 H new ATOM 0 HE1 TRP A 30 -4.046 -2.831 -9.502 1.00 23.45 H new ATOM 0 HE3 TRP A 30 -5.391 -2.852 -4.290 1.00 72.42 H new ATOM 0 HZ2 TRP A 30 -3.752 -0.319 -8.260 1.00 71.22 H new ATOM 0 HZ3 TRP A 30 -4.851 -0.452 -4.128 1.00 34.13 H new ATOM 0 HH2 TRP A 30 -4.045 0.794 -6.092 1.00 10.43 H new ATOM 497 N GLU A 31 -5.629 -7.960 -4.125 1.00 21.34 N ATOM 498 CA GLU A 31 -6.334 -8.788 -3.140 1.00 14.55 C ATOM 499 C GLU A 31 -5.460 -9.078 -1.912 1.00 4.01 C ATOM 500 O GLU A 31 -5.952 -9.082 -0.782 1.00 31.13 O ATOM 501 CB GLU A 31 -6.819 -10.100 -3.766 1.00 33.41 C ATOM 502 CG GLU A 31 -7.919 -9.914 -4.807 1.00 61.35 C ATOM 503 CD GLU A 31 -8.592 -11.224 -5.184 1.00 32.44 C ATOM 504 OE1 GLU A 31 -9.409 -11.724 -4.382 1.00 3.33 O ATOM 505 OE2 GLU A 31 -8.304 -11.763 -6.272 1.00 21.42 O ATOM 0 H GLU A 31 -5.462 -8.417 -5.021 1.00 21.34 H new ATOM 0 HA GLU A 31 -7.202 -8.219 -2.809 1.00 14.55 H new ATOM 0 HB2 GLU A 31 -5.972 -10.605 -4.231 1.00 33.41 H new ATOM 0 HB3 GLU A 31 -7.186 -10.755 -2.976 1.00 33.41 H new ATOM 0 HG2 GLU A 31 -8.668 -9.223 -4.420 1.00 61.35 H new ATOM 0 HG3 GLU A 31 -7.495 -9.457 -5.701 1.00 61.35 H new ATOM 512 N GLU A 32 -4.164 -9.306 -2.127 1.00 62.20 N ATOM 513 CA GLU A 32 -3.230 -9.505 -1.009 1.00 12.34 C ATOM 514 C GLU A 32 -3.208 -8.274 -0.090 1.00 32.10 C ATOM 515 O GLU A 32 -3.149 -8.395 1.137 1.00 41.41 O ATOM 516 CB GLU A 32 -1.814 -9.798 -1.525 1.00 2.03 C ATOM 517 CG GLU A 32 -1.706 -11.072 -2.355 1.00 32.45 C ATOM 518 CD GLU A 32 -2.221 -12.300 -1.619 1.00 72.31 C ATOM 519 OE1 GLU A 32 -1.535 -12.773 -0.692 1.00 44.42 O ATOM 520 OE2 GLU A 32 -3.320 -12.792 -1.963 1.00 22.22 O ATOM 0 H GLU A 32 -3.737 -9.358 -3.052 1.00 62.20 H new ATOM 0 HA GLU A 32 -3.577 -10.364 -0.435 1.00 12.34 H new ATOM 0 HB2 GLU A 32 -1.477 -8.955 -2.128 1.00 2.03 H new ATOM 0 HB3 GLU A 32 -1.137 -9.873 -0.674 1.00 2.03 H new ATOM 0 HG2 GLU A 32 -2.268 -10.946 -3.280 1.00 32.45 H new ATOM 0 HG3 GLU A 32 -0.664 -11.231 -2.634 1.00 32.45 H new ATOM 527 N LEU A 33 -3.261 -7.090 -0.693 1.00 74.34 N ATOM 528 CA LEU A 33 -3.334 -5.841 0.065 1.00 45.22 C ATOM 529 C LEU A 33 -4.683 -5.722 0.787 1.00 35.21 C ATOM 530 O LEU A 33 -4.743 -5.316 1.944 1.00 21.40 O ATOM 531 CB LEU A 33 -3.118 -4.637 -0.864 1.00 54.51 C ATOM 532 CG LEU A 33 -1.802 -4.657 -1.656 1.00 23.30 C ATOM 533 CD1 LEU A 33 -1.644 -3.382 -2.482 1.00 22.30 C ATOM 534 CD2 LEU A 33 -0.616 -4.856 -0.714 1.00 21.14 C ATOM 0 H LEU A 33 -3.255 -6.967 -1.706 1.00 74.34 H new ATOM 0 HA LEU A 33 -2.543 -5.850 0.815 1.00 45.22 H new ATOM 0 HB2 LEU A 33 -3.948 -4.587 -1.569 1.00 54.51 H new ATOM 0 HB3 LEU A 33 -3.152 -3.726 -0.267 1.00 54.51 H new ATOM 0 HG LEU A 33 -1.829 -5.498 -2.349 1.00 23.30 H new ATOM 0 HD11 LEU A 33 -0.705 -3.420 -3.034 1.00 22.30 H new ATOM 0 HD12 LEU A 33 -2.474 -3.298 -3.184 1.00 22.30 H new ATOM 0 HD13 LEU A 33 -1.641 -2.517 -1.819 1.00 22.30 H new ATOM 0 HD21 LEU A 33 0.309 -4.868 -1.291 1.00 21.14 H new ATOM 0 HD22 LEU A 33 -0.583 -4.039 0.007 1.00 21.14 H new ATOM 0 HD23 LEU A 33 -0.726 -5.803 -0.185 1.00 21.14 H new ATOM 546 N SER A 34 -5.757 -6.097 0.095 1.00 21.54 N ATOM 547 CA SER A 34 -7.105 -6.109 0.683 1.00 4.32 C ATOM 548 C SER A 34 -7.193 -7.111 1.846 1.00 50.31 C ATOM 549 O SER A 34 -7.981 -6.937 2.774 1.00 30.53 O ATOM 550 CB SER A 34 -8.151 -6.462 -0.387 1.00 34.32 C ATOM 551 OG SER A 34 -9.461 -6.546 0.158 1.00 3.31 O ATOM 0 H SER A 34 -5.724 -6.399 -0.879 1.00 21.54 H new ATOM 0 HA SER A 34 -7.310 -5.111 1.071 1.00 4.32 H new ATOM 0 HB2 SER A 34 -8.133 -5.708 -1.174 1.00 34.32 H new ATOM 0 HB3 SER A 34 -7.889 -7.413 -0.850 1.00 34.32 H new ATOM 0 HG SER A 34 -10.097 -6.771 -0.553 1.00 3.31 H new ATOM 557 N TYR A 35 -6.384 -8.164 1.781 1.00 34.05 N ATOM 558 CA TYR A 35 -6.336 -9.173 2.841 1.00 12.10 C ATOM 559 C TYR A 35 -5.532 -8.674 4.053 1.00 3.41 C ATOM 560 O TYR A 35 -5.988 -8.757 5.193 1.00 2.24 O ATOM 561 CB TYR A 35 -5.720 -10.474 2.300 1.00 40.33 C ATOM 562 CG TYR A 35 -5.665 -11.599 3.321 1.00 4.31 C ATOM 563 CD1 TYR A 35 -6.816 -12.289 3.685 1.00 73.11 C ATOM 564 CD2 TYR A 35 -4.466 -11.961 3.930 1.00 2.41 C ATOM 565 CE1 TYR A 35 -6.775 -13.303 4.619 1.00 0.33 C ATOM 566 CE2 TYR A 35 -4.419 -12.976 4.866 1.00 2.35 C ATOM 567 CZ TYR A 35 -5.576 -13.643 5.208 1.00 2.15 C ATOM 568 OH TYR A 35 -5.534 -14.656 6.142 1.00 42.00 O ATOM 0 H TYR A 35 -5.749 -8.344 1.003 1.00 34.05 H new ATOM 0 HA TYR A 35 -7.357 -9.365 3.171 1.00 12.10 H new ATOM 0 HB2 TYR A 35 -6.297 -10.807 1.437 1.00 40.33 H new ATOM 0 HB3 TYR A 35 -4.710 -10.267 1.947 1.00 40.33 H new ATOM 0 HD1 TYR A 35 -7.759 -12.026 3.228 1.00 73.11 H new ATOM 0 HD2 TYR A 35 -3.558 -11.440 3.666 1.00 2.41 H new ATOM 0 HE1 TYR A 35 -7.679 -13.829 4.888 1.00 0.33 H new ATOM 0 HE2 TYR A 35 -3.481 -13.246 5.328 1.00 2.35 H new ATOM 0 HH TYR A 35 -4.614 -14.771 6.459 1.00 42.00 H new ATOM 578 N MET A 36 -4.332 -8.154 3.798 1.00 55.42 N ATOM 579 CA MET A 36 -3.450 -7.670 4.872 1.00 2.01 C ATOM 580 C MET A 36 -3.923 -6.322 5.452 1.00 23.54 C ATOM 581 O MET A 36 -3.580 -5.967 6.582 1.00 43.14 O ATOM 582 CB MET A 36 -2.008 -7.559 4.356 1.00 71.32 C ATOM 583 CG MET A 36 -1.415 -8.894 3.919 1.00 20.04 C ATOM 584 SD MET A 36 0.296 -8.757 3.354 1.00 35.35 S ATOM 585 CE MET A 36 0.104 -7.734 1.896 1.00 44.15 C ATOM 0 H MET A 36 -3.944 -8.055 2.860 1.00 55.42 H new ATOM 0 HA MET A 36 -3.489 -8.397 5.683 1.00 2.01 H new ATOM 0 HB2 MET A 36 -1.984 -6.867 3.515 1.00 71.32 H new ATOM 0 HB3 MET A 36 -1.382 -7.131 5.139 1.00 71.32 H new ATOM 0 HG2 MET A 36 -1.461 -9.596 4.752 1.00 20.04 H new ATOM 0 HG3 MET A 36 -2.024 -9.311 3.117 1.00 20.04 H new ATOM 0 HE1 MET A 36 1.085 -7.505 1.480 1.00 44.15 H new ATOM 0 HE2 MET A 36 -0.490 -8.267 1.153 1.00 44.15 H new ATOM 0 HE3 MET A 36 -0.401 -6.806 2.166 1.00 44.15 H new ATOM 595 N VAL A 37 -4.697 -5.569 4.666 1.00 14.34 N ATOM 596 CA VAL A 37 -5.294 -4.306 5.127 1.00 61.44 C ATOM 597 C VAL A 37 -6.804 -4.273 4.822 1.00 42.54 C ATOM 598 O VAL A 37 -7.229 -3.820 3.754 1.00 33.12 O ATOM 599 CB VAL A 37 -4.609 -3.069 4.481 1.00 32.31 C ATOM 600 CG1 VAL A 37 -5.183 -1.770 5.046 1.00 53.25 C ATOM 601 CG2 VAL A 37 -3.093 -3.115 4.670 1.00 43.34 C ATOM 0 H VAL A 37 -4.928 -5.811 3.702 1.00 14.34 H new ATOM 0 HA VAL A 37 -5.139 -4.258 6.205 1.00 61.44 H new ATOM 0 HB VAL A 37 -4.816 -3.097 3.411 1.00 32.31 H new ATOM 0 HG11 VAL A 37 -4.687 -0.919 4.578 1.00 53.25 H new ATOM 0 HG12 VAL A 37 -6.252 -1.725 4.840 1.00 53.25 H new ATOM 0 HG13 VAL A 37 -5.019 -1.738 6.123 1.00 53.25 H new ATOM 0 HG21 VAL A 37 -2.642 -2.237 4.208 1.00 43.34 H new ATOM 0 HG22 VAL A 37 -2.859 -3.125 5.735 1.00 43.34 H new ATOM 0 HG23 VAL A 37 -2.695 -4.016 4.203 1.00 43.34 H new ATOM 611 N ASN A 38 -7.608 -4.771 5.757 1.00 62.21 N ATOM 612 CA ASN A 38 -9.061 -4.817 5.574 1.00 61.45 C ATOM 613 C ASN A 38 -9.692 -3.425 5.739 1.00 74.22 C ATOM 614 O ASN A 38 -10.117 -3.037 6.833 1.00 22.25 O ATOM 615 CB ASN A 38 -9.692 -5.820 6.550 1.00 54.13 C ATOM 616 CG ASN A 38 -11.185 -5.984 6.330 1.00 45.34 C ATOM 617 OD1 ASN A 38 -11.687 -5.812 5.223 1.00 64.21 O ATOM 618 ND2 ASN A 38 -11.909 -6.323 7.377 1.00 70.53 N ATOM 0 H ASN A 38 -7.283 -5.148 6.647 1.00 62.21 H new ATOM 0 HA ASN A 38 -9.261 -5.150 4.555 1.00 61.45 H new ATOM 0 HB2 ASN A 38 -9.203 -6.788 6.438 1.00 54.13 H new ATOM 0 HB3 ASN A 38 -9.513 -5.489 7.573 1.00 54.13 H new ATOM 0 HD21 ASN A 38 -12.917 -6.450 7.281 1.00 70.53 H new ATOM 0 HD22 ASN A 38 -11.462 -6.459 8.284 1.00 70.53 H new ATOM 625 N ILE A 39 -9.700 -2.664 4.650 1.00 4.34 N ATOM 626 CA ILE A 39 -10.343 -1.346 4.611 1.00 2.24 C ATOM 627 C ILE A 39 -11.260 -1.234 3.389 1.00 72.22 C ATOM 628 O ILE A 39 -10.969 -1.801 2.331 1.00 13.25 O ATOM 629 CB ILE A 39 -9.298 -0.197 4.565 1.00 41.53 C ATOM 630 CG1 ILE A 39 -8.347 -0.380 3.367 1.00 11.42 C ATOM 631 CG2 ILE A 39 -8.516 -0.127 5.876 1.00 33.22 C ATOM 632 CD1 ILE A 39 -7.340 0.737 3.199 1.00 72.41 C ATOM 0 H ILE A 39 -9.264 -2.938 3.770 1.00 4.34 H new ATOM 0 HA ILE A 39 -10.928 -1.248 5.525 1.00 2.24 H new ATOM 0 HB ILE A 39 -9.828 0.747 4.437 1.00 41.53 H new ATOM 0 HG12 ILE A 39 -7.812 -1.322 3.483 1.00 11.42 H new ATOM 0 HG13 ILE A 39 -8.940 -0.460 2.456 1.00 11.42 H new ATOM 0 HG21 ILE A 39 -7.789 0.684 5.823 1.00 33.22 H new ATOM 0 HG22 ILE A 39 -9.205 0.056 6.701 1.00 33.22 H new ATOM 0 HG23 ILE A 39 -7.995 -1.071 6.040 1.00 33.22 H new ATOM 0 HD11 ILE A 39 -6.709 0.531 2.334 1.00 72.41 H new ATOM 0 HD12 ILE A 39 -7.865 1.681 3.049 1.00 72.41 H new ATOM 0 HD13 ILE A 39 -6.719 0.805 4.092 1.00 72.41 H new ATOM 644 N ASN A 40 -12.364 -0.501 3.519 1.00 54.34 N ATOM 645 CA ASN A 40 -13.293 -0.323 2.402 1.00 75.14 C ATOM 646 C ASN A 40 -12.750 0.718 1.406 1.00 0.32 C ATOM 647 O ASN A 40 -13.326 1.789 1.211 1.00 33.52 O ATOM 648 CB ASN A 40 -14.689 0.075 2.903 1.00 23.51 C ATOM 649 CG ASN A 40 -15.749 -0.056 1.820 1.00 32.13 C ATOM 650 OD1 ASN A 40 -15.646 -0.896 0.931 1.00 22.24 O ATOM 651 ND2 ASN A 40 -16.779 0.760 1.892 1.00 52.02 N ATOM 0 H ASN A 40 -12.637 -0.024 4.378 1.00 54.34 H new ATOM 0 HA ASN A 40 -13.385 -1.277 1.883 1.00 75.14 H new ATOM 0 HB2 ASN A 40 -14.961 -0.552 3.752 1.00 23.51 H new ATOM 0 HB3 ASN A 40 -14.664 1.104 3.262 1.00 23.51 H new ATOM 0 HD21 ASN A 40 -17.522 0.705 1.196 1.00 52.02 H new ATOM 0 HD22 ASN A 40 -16.834 1.447 2.644 1.00 52.02 H new ATOM 658 N CYS A 41 -11.609 0.390 0.804 1.00 0.41 N ATOM 659 CA CYS A 41 -10.971 1.240 -0.211 1.00 44.42 C ATOM 660 C CYS A 41 -10.427 0.385 -1.359 1.00 52.12 C ATOM 661 O CYS A 41 -10.690 0.660 -2.523 1.00 3.12 O ATOM 662 CB CYS A 41 -9.836 2.067 0.401 1.00 70.14 C ATOM 663 SG CYS A 41 -8.939 3.088 -0.796 1.00 54.42 S ATOM 0 H CYS A 41 -11.098 -0.470 1.002 1.00 0.41 H new ATOM 0 HA CYS A 41 -11.727 1.922 -0.600 1.00 44.42 H new ATOM 0 HB2 CYS A 41 -10.248 2.712 1.177 1.00 70.14 H new ATOM 0 HB3 CYS A 41 -9.131 1.393 0.888 1.00 70.14 H new ATOM 0 HG CYS A 41 -9.174 2.654 -1.999 1.00 54.42 H new ATOM 669 N PHE A 42 -9.668 -0.660 -1.024 1.00 32.00 N ATOM 670 CA PHE A 42 -9.201 -1.623 -2.032 1.00 31.23 C ATOM 671 C PHE A 42 -10.370 -2.501 -2.514 1.00 12.34 C ATOM 672 O PHE A 42 -10.300 -3.128 -3.568 1.00 10.03 O ATOM 673 CB PHE A 42 -8.081 -2.513 -1.465 1.00 24.22 C ATOM 674 CG PHE A 42 -6.896 -1.750 -0.920 1.00 34.23 C ATOM 675 CD1 PHE A 42 -6.431 -0.605 -1.554 1.00 5.43 C ATOM 676 CD2 PHE A 42 -6.248 -2.181 0.230 1.00 64.40 C ATOM 677 CE1 PHE A 42 -5.349 0.092 -1.051 1.00 1.22 C ATOM 678 CE2 PHE A 42 -5.166 -1.486 0.737 1.00 14.42 C ATOM 679 CZ PHE A 42 -4.715 -0.349 0.094 1.00 0.24 C ATOM 0 H PHE A 42 -9.364 -0.863 -0.072 1.00 32.00 H new ATOM 0 HA PHE A 42 -8.803 -1.060 -2.876 1.00 31.23 H new ATOM 0 HB2 PHE A 42 -8.494 -3.135 -0.671 1.00 24.22 H new ATOM 0 HB3 PHE A 42 -7.735 -3.186 -2.250 1.00 24.22 H new ATOM 0 HD1 PHE A 42 -6.921 -0.255 -2.451 1.00 5.43 H new ATOM 0 HD2 PHE A 42 -6.594 -3.071 0.735 1.00 64.40 H new ATOM 0 HE1 PHE A 42 -4.999 0.982 -1.553 1.00 1.22 H new ATOM 0 HE2 PHE A 42 -4.674 -1.831 1.634 1.00 14.42 H new ATOM 0 HZ PHE A 42 -3.868 0.194 0.486 1.00 0.24 H new ATOM 689 N LYS A 43 -11.446 -2.531 -1.723 1.00 52.12 N ATOM 690 CA LYS A 43 -12.645 -3.316 -2.051 1.00 24.25 C ATOM 691 C LYS A 43 -13.639 -2.505 -2.906 1.00 72.45 C ATOM 692 O LYS A 43 -14.663 -3.032 -3.352 1.00 55.43 O ATOM 693 CB LYS A 43 -13.331 -3.790 -0.760 1.00 51.05 C ATOM 694 CG LYS A 43 -12.410 -4.564 0.180 1.00 40.52 C ATOM 695 CD LYS A 43 -13.135 -5.048 1.438 1.00 75.23 C ATOM 696 CE LYS A 43 -13.997 -6.287 1.186 1.00 42.31 C ATOM 697 NZ LYS A 43 -15.092 -6.044 0.209 1.00 21.13 N ATOM 0 H LYS A 43 -11.514 -2.018 -0.844 1.00 52.12 H new ATOM 0 HA LYS A 43 -12.328 -4.180 -2.635 1.00 24.25 H new ATOM 0 HB2 LYS A 43 -13.728 -2.923 -0.232 1.00 51.05 H new ATOM 0 HB3 LYS A 43 -14.181 -4.421 -1.022 1.00 51.05 H new ATOM 0 HG2 LYS A 43 -11.993 -5.421 -0.348 1.00 40.52 H new ATOM 0 HG3 LYS A 43 -11.572 -3.929 0.468 1.00 40.52 H new ATOM 0 HD2 LYS A 43 -12.400 -5.273 2.211 1.00 75.23 H new ATOM 0 HD3 LYS A 43 -13.765 -4.245 1.821 1.00 75.23 H new ATOM 0 HE2 LYS A 43 -13.364 -7.095 0.820 1.00 42.31 H new ATOM 0 HE3 LYS A 43 -14.427 -6.622 2.130 1.00 42.31 H new ATOM 0 HZ1 LYS A 43 -15.912 -6.636 0.452 1.00 21.13 H new ATOM 0 HZ2 LYS A 43 -15.367 -5.042 0.239 1.00 21.13 H new ATOM 0 HZ3 LYS A 43 -14.763 -6.285 -0.748 1.00 21.13 H new ATOM 711 N LYS A 44 -13.328 -1.230 -3.137 1.00 31.12 N ATOM 712 CA LYS A 44 -14.175 -0.348 -3.951 1.00 12.13 C ATOM 713 C LYS A 44 -13.328 0.706 -4.688 1.00 51.54 C ATOM 714 O LYS A 44 -12.699 1.559 -4.061 1.00 5.13 O ATOM 715 CB LYS A 44 -15.236 0.351 -3.084 1.00 70.53 C ATOM 716 CG LYS A 44 -14.655 1.147 -1.916 1.00 42.14 C ATOM 717 CD LYS A 44 -15.657 2.149 -1.347 1.00 32.35 C ATOM 718 CE LYS A 44 -16.067 3.193 -2.384 1.00 24.20 C ATOM 719 NZ LYS A 44 -14.891 3.876 -2.992 1.00 12.35 N ATOM 0 H LYS A 44 -12.490 -0.779 -2.770 1.00 31.12 H new ATOM 0 HA LYS A 44 -14.680 -0.970 -4.690 1.00 12.13 H new ATOM 0 HB2 LYS A 44 -15.821 1.022 -3.713 1.00 70.53 H new ATOM 0 HB3 LYS A 44 -15.924 -0.399 -2.693 1.00 70.53 H new ATOM 0 HG2 LYS A 44 -14.344 0.460 -1.129 1.00 42.14 H new ATOM 0 HG3 LYS A 44 -13.762 1.677 -2.248 1.00 42.14 H new ATOM 0 HD2 LYS A 44 -16.542 1.618 -0.996 1.00 32.35 H new ATOM 0 HD3 LYS A 44 -15.220 2.648 -0.482 1.00 32.35 H new ATOM 0 HE2 LYS A 44 -16.652 2.713 -3.169 1.00 24.20 H new ATOM 0 HE3 LYS A 44 -16.713 3.935 -1.914 1.00 24.20 H new ATOM 0 HZ1 LYS A 44 -15.099 4.888 -3.108 1.00 12.35 H new ATOM 0 HZ2 LYS A 44 -14.064 3.761 -2.372 1.00 12.35 H new ATOM 0 HZ3 LYS A 44 -14.688 3.456 -3.921 1.00 12.35 H new ATOM 733 N ASP A 45 -13.340 0.652 -6.019 1.00 55.12 N ATOM 734 CA ASP A 45 -12.519 1.541 -6.854 1.00 44.53 C ATOM 735 C ASP A 45 -11.013 1.285 -6.620 1.00 3.43 C ATOM 736 O ASP A 45 -10.313 2.103 -6.012 1.00 25.21 O ATOM 737 CB ASP A 45 -12.865 3.018 -6.593 1.00 62.33 C ATOM 738 CG ASP A 45 -14.357 3.293 -6.705 1.00 22.41 C ATOM 739 OD1 ASP A 45 -14.876 3.337 -7.840 1.00 63.22 O ATOM 740 OD2 ASP A 45 -15.023 3.461 -5.659 1.00 61.33 O ATOM 0 H ASP A 45 -13.914 -0.003 -6.550 1.00 55.12 H new ATOM 0 HA ASP A 45 -12.744 1.319 -7.897 1.00 44.53 H new ATOM 0 HB2 ASP A 45 -12.520 3.299 -5.598 1.00 62.33 H new ATOM 0 HB3 ASP A 45 -12.328 3.645 -7.305 1.00 62.33 H new ATOM 745 N PRO A 46 -10.495 0.144 -7.117 1.00 0.41 N ATOM 746 CA PRO A 46 -9.103 -0.291 -6.864 1.00 14.12 C ATOM 747 C PRO A 46 -8.055 0.436 -7.728 1.00 12.43 C ATOM 748 O PRO A 46 -7.054 -0.154 -8.144 1.00 32.42 O ATOM 749 CB PRO A 46 -9.161 -1.783 -7.213 1.00 23.22 C ATOM 750 CG PRO A 46 -10.189 -1.873 -8.292 1.00 71.43 C ATOM 751 CD PRO A 46 -11.222 -0.820 -7.973 1.00 25.10 C ATOM 0 HA PRO A 46 -8.786 -0.071 -5.845 1.00 14.12 H new ATOM 0 HB2 PRO A 46 -8.193 -2.149 -7.555 1.00 23.22 H new ATOM 0 HB3 PRO A 46 -9.441 -2.383 -6.347 1.00 23.22 H new ATOM 0 HG2 PRO A 46 -9.743 -1.698 -9.271 1.00 71.43 H new ATOM 0 HG3 PRO A 46 -10.639 -2.865 -8.320 1.00 71.43 H new ATOM 0 HD2 PRO A 46 -11.600 -0.345 -8.878 1.00 25.10 H new ATOM 0 HD3 PRO A 46 -12.080 -1.247 -7.454 1.00 25.10 H new ATOM 759 N SER A 47 -8.277 1.723 -7.974 1.00 25.52 N ATOM 760 CA SER A 47 -7.331 2.542 -8.745 1.00 40.42 C ATOM 761 C SER A 47 -6.334 3.253 -7.818 1.00 52.11 C ATOM 762 O SER A 47 -6.699 3.703 -6.729 1.00 23.33 O ATOM 763 CB SER A 47 -8.080 3.573 -9.599 1.00 41.14 C ATOM 764 OG SER A 47 -8.917 2.936 -10.555 1.00 52.13 O ATOM 0 H SER A 47 -9.103 2.228 -7.653 1.00 25.52 H new ATOM 0 HA SER A 47 -6.774 1.876 -9.404 1.00 40.42 H new ATOM 0 HB2 SER A 47 -8.681 4.215 -8.955 1.00 41.14 H new ATOM 0 HB3 SER A 47 -7.363 4.216 -10.110 1.00 41.14 H new ATOM 0 HG SER A 47 -9.384 3.615 -11.085 1.00 52.13 H new ATOM 770 N ILE A 48 -5.077 3.354 -8.258 1.00 31.14 N ATOM 771 CA ILE A 48 -4.013 3.999 -7.469 1.00 32.21 C ATOM 772 C ILE A 48 -4.450 5.371 -6.926 1.00 64.34 C ATOM 773 O ILE A 48 -4.381 5.618 -5.727 1.00 72.35 O ATOM 774 CB ILE A 48 -2.715 4.177 -8.307 1.00 71.11 C ATOM 775 CG1 ILE A 48 -2.212 2.820 -8.836 1.00 4.54 C ATOM 776 CG2 ILE A 48 -1.623 4.872 -7.487 1.00 32.54 C ATOM 777 CD1 ILE A 48 -1.787 1.852 -7.750 1.00 45.13 C ATOM 0 H ILE A 48 -4.766 2.996 -9.161 1.00 31.14 H new ATOM 0 HA ILE A 48 -3.813 3.336 -6.627 1.00 32.21 H new ATOM 0 HB ILE A 48 -2.954 4.810 -9.161 1.00 71.11 H new ATOM 0 HG12 ILE A 48 -3.001 2.359 -9.431 1.00 4.54 H new ATOM 0 HG13 ILE A 48 -1.369 2.993 -9.504 1.00 4.54 H new ATOM 0 HG21 ILE A 48 -0.726 4.984 -8.096 1.00 32.54 H new ATOM 0 HG22 ILE A 48 -1.974 5.855 -7.173 1.00 32.54 H new ATOM 0 HG23 ILE A 48 -1.391 4.272 -6.607 1.00 32.54 H new ATOM 0 HD11 ILE A 48 -1.446 0.922 -8.205 1.00 45.13 H new ATOM 0 HD12 ILE A 48 -0.976 2.290 -7.169 1.00 45.13 H new ATOM 0 HD13 ILE A 48 -2.633 1.647 -7.094 1.00 45.13 H new ATOM 789 N LYS A 49 -4.926 6.247 -7.810 1.00 11.51 N ATOM 790 CA LYS A 49 -5.342 7.602 -7.409 1.00 51.12 C ATOM 791 C LYS A 49 -6.466 7.577 -6.351 1.00 33.31 C ATOM 792 O LYS A 49 -6.480 8.393 -5.421 1.00 1.23 O ATOM 793 CB LYS A 49 -5.794 8.402 -8.636 1.00 25.41 C ATOM 794 CG LYS A 49 -4.706 8.586 -9.693 1.00 42.14 C ATOM 795 CD LYS A 49 -3.458 9.255 -9.118 1.00 1.51 C ATOM 796 CE LYS A 49 -2.419 9.553 -10.193 1.00 34.24 C ATOM 797 NZ LYS A 49 -1.989 8.327 -10.918 1.00 52.42 N ATOM 0 H LYS A 49 -5.035 6.050 -8.805 1.00 11.51 H new ATOM 0 HA LYS A 49 -4.477 8.086 -6.956 1.00 51.12 H new ATOM 0 HB2 LYS A 49 -6.647 7.899 -9.091 1.00 25.41 H new ATOM 0 HB3 LYS A 49 -6.139 9.383 -8.310 1.00 25.41 H new ATOM 0 HG2 LYS A 49 -4.438 7.615 -10.110 1.00 42.14 H new ATOM 0 HG3 LYS A 49 -5.095 9.189 -10.513 1.00 42.14 H new ATOM 0 HD2 LYS A 49 -3.741 10.183 -8.621 1.00 1.51 H new ATOM 0 HD3 LYS A 49 -3.018 8.608 -8.359 1.00 1.51 H new ATOM 0 HE2 LYS A 49 -2.831 10.268 -10.905 1.00 34.24 H new ATOM 0 HE3 LYS A 49 -1.550 10.025 -9.734 1.00 34.24 H new ATOM 0 HZ1 LYS A 49 -1.200 8.559 -11.554 1.00 52.42 H new ATOM 0 HZ2 LYS A 49 -1.681 7.608 -10.232 1.00 52.42 H new ATOM 0 HZ3 LYS A 49 -2.785 7.956 -11.475 1.00 52.42 H new ATOM 811 N SER A 50 -7.397 6.635 -6.502 1.00 31.15 N ATOM 812 CA SER A 50 -8.515 6.471 -5.556 1.00 23.23 C ATOM 813 C SER A 50 -8.011 6.114 -4.154 1.00 62.25 C ATOM 814 O SER A 50 -8.349 6.774 -3.168 1.00 51.52 O ATOM 815 CB SER A 50 -9.475 5.376 -6.053 1.00 23.45 C ATOM 816 OG SER A 50 -10.463 5.064 -5.082 1.00 25.13 O ATOM 0 H SER A 50 -7.404 5.967 -7.273 1.00 31.15 H new ATOM 0 HA SER A 50 -9.044 7.422 -5.499 1.00 23.23 H new ATOM 0 HB2 SER A 50 -9.959 5.706 -6.972 1.00 23.45 H new ATOM 0 HB3 SER A 50 -8.908 4.478 -6.297 1.00 23.45 H new ATOM 0 HG SER A 50 -10.596 4.094 -5.051 1.00 25.13 H new ATOM 822 N SER A 51 -7.183 5.077 -4.078 1.00 51.15 N ATOM 823 CA SER A 51 -6.638 4.610 -2.799 1.00 64.33 C ATOM 824 C SER A 51 -5.722 5.662 -2.153 1.00 74.25 C ATOM 825 O SER A 51 -5.791 5.888 -0.946 1.00 74.52 O ATOM 826 CB SER A 51 -5.873 3.296 -2.993 1.00 45.41 C ATOM 827 OG SER A 51 -4.861 3.435 -3.976 1.00 20.43 O ATOM 0 H SER A 51 -6.871 4.540 -4.887 1.00 51.15 H new ATOM 0 HA SER A 51 -7.479 4.441 -2.127 1.00 64.33 H new ATOM 0 HB2 SER A 51 -5.426 2.989 -2.047 1.00 45.41 H new ATOM 0 HB3 SER A 51 -6.566 2.508 -3.289 1.00 45.41 H new ATOM 0 HG SER A 51 -5.002 4.266 -4.475 1.00 20.43 H new ATOM 833 N LEU A 52 -4.873 6.303 -2.962 1.00 30.20 N ATOM 834 CA LEU A 52 -3.988 7.372 -2.468 1.00 74.23 C ATOM 835 C LEU A 52 -4.774 8.457 -1.715 1.00 15.33 C ATOM 836 O LEU A 52 -4.328 8.946 -0.674 1.00 42.51 O ATOM 837 CB LEU A 52 -3.203 8.014 -3.623 1.00 72.34 C ATOM 838 CG LEU A 52 -2.153 7.113 -4.294 1.00 34.53 C ATOM 839 CD1 LEU A 52 -1.435 7.862 -5.413 1.00 62.03 C ATOM 840 CD2 LEU A 52 -1.151 6.578 -3.269 1.00 40.43 C ATOM 0 H LEU A 52 -4.777 6.104 -3.958 1.00 30.20 H new ATOM 0 HA LEU A 52 -3.288 6.909 -1.773 1.00 74.23 H new ATOM 0 HB2 LEU A 52 -3.913 8.342 -4.382 1.00 72.34 H new ATOM 0 HB3 LEU A 52 -2.703 8.906 -3.247 1.00 72.34 H new ATOM 0 HG LEU A 52 -2.672 6.260 -4.732 1.00 34.53 H new ATOM 0 HD11 LEU A 52 -0.697 7.206 -5.874 1.00 62.03 H new ATOM 0 HD12 LEU A 52 -2.160 8.177 -6.164 1.00 62.03 H new ATOM 0 HD13 LEU A 52 -0.935 8.739 -5.001 1.00 62.03 H new ATOM 0 HD21 LEU A 52 -0.420 5.944 -3.771 1.00 40.43 H new ATOM 0 HD22 LEU A 52 -0.639 7.413 -2.790 1.00 40.43 H new ATOM 0 HD23 LEU A 52 -1.679 5.995 -2.514 1.00 40.43 H new ATOM 852 N LYS A 53 -5.940 8.836 -2.242 1.00 21.24 N ATOM 853 CA LYS A 53 -6.798 9.816 -1.563 1.00 22.42 C ATOM 854 C LYS A 53 -7.249 9.306 -0.184 1.00 13.02 C ATOM 855 O LYS A 53 -7.213 10.047 0.800 1.00 45.42 O ATOM 856 CB LYS A 53 -8.023 10.162 -2.422 1.00 70.44 C ATOM 857 CG LYS A 53 -7.682 10.902 -3.714 1.00 22.32 C ATOM 858 CD LYS A 53 -8.938 11.358 -4.454 1.00 45.23 C ATOM 859 CE LYS A 53 -8.597 12.123 -5.727 1.00 71.02 C ATOM 860 NZ LYS A 53 -7.880 11.274 -6.715 1.00 2.25 N ATOM 0 H LYS A 53 -6.311 8.486 -3.125 1.00 21.24 H new ATOM 0 HA LYS A 53 -6.206 10.719 -1.417 1.00 22.42 H new ATOM 0 HB2 LYS A 53 -8.552 9.242 -2.670 1.00 70.44 H new ATOM 0 HB3 LYS A 53 -8.706 10.774 -1.833 1.00 70.44 H new ATOM 0 HG2 LYS A 53 -7.061 11.768 -3.484 1.00 22.32 H new ATOM 0 HG3 LYS A 53 -7.095 10.251 -4.362 1.00 22.32 H new ATOM 0 HD2 LYS A 53 -9.548 10.490 -4.704 1.00 45.23 H new ATOM 0 HD3 LYS A 53 -9.537 11.991 -3.799 1.00 45.23 H new ATOM 0 HE2 LYS A 53 -9.514 12.505 -6.176 1.00 71.02 H new ATOM 0 HE3 LYS A 53 -7.980 12.986 -5.476 1.00 71.02 H new ATOM 0 HZ1 LYS A 53 -7.803 11.783 -7.619 1.00 2.25 H new ATOM 0 HZ2 LYS A 53 -6.928 11.055 -6.358 1.00 2.25 H new ATOM 0 HZ3 LYS A 53 -8.407 10.389 -6.860 1.00 2.25 H new ATOM 874 N PHE A 54 -7.656 8.042 -0.112 1.00 51.15 N ATOM 875 CA PHE A 54 -8.084 7.442 1.158 1.00 43.22 C ATOM 876 C PHE A 54 -6.919 7.369 2.163 1.00 3.11 C ATOM 877 O PHE A 54 -7.098 7.626 3.356 1.00 25.51 O ATOM 878 CB PHE A 54 -8.666 6.043 0.923 1.00 13.04 C ATOM 879 CG PHE A 54 -9.209 5.392 2.176 1.00 3.13 C ATOM 880 CD1 PHE A 54 -10.487 5.690 2.631 1.00 72.33 C ATOM 881 CD2 PHE A 54 -8.443 4.486 2.899 1.00 54.31 C ATOM 882 CE1 PHE A 54 -10.987 5.100 3.777 1.00 53.32 C ATOM 883 CE2 PHE A 54 -8.940 3.894 4.046 1.00 33.45 C ATOM 884 CZ PHE A 54 -10.212 4.201 4.484 1.00 4.05 C ATOM 0 H PHE A 54 -7.700 7.411 -0.912 1.00 51.15 H new ATOM 0 HA PHE A 54 -8.859 8.081 1.582 1.00 43.22 H new ATOM 0 HB2 PHE A 54 -9.464 6.111 0.184 1.00 13.04 H new ATOM 0 HB3 PHE A 54 -7.892 5.404 0.498 1.00 13.04 H new ATOM 0 HD1 PHE A 54 -11.098 6.392 2.083 1.00 72.33 H new ATOM 0 HD2 PHE A 54 -7.447 4.241 2.561 1.00 54.31 H new ATOM 0 HE1 PHE A 54 -11.982 5.342 4.119 1.00 53.32 H new ATOM 0 HE2 PHE A 54 -8.333 3.192 4.598 1.00 33.45 H new ATOM 0 HZ PHE A 54 -10.602 3.739 5.379 1.00 4.05 H new ATOM 894 N LEU A 55 -5.727 7.018 1.672 1.00 23.31 N ATOM 895 CA LEU A 55 -4.526 6.941 2.517 1.00 41.41 C ATOM 896 C LEU A 55 -4.148 8.321 3.079 1.00 2.32 C ATOM 897 O LEU A 55 -3.664 8.434 4.205 1.00 34.15 O ATOM 898 CB LEU A 55 -3.350 6.351 1.724 1.00 22.14 C ATOM 899 CG LEU A 55 -3.571 4.925 1.187 1.00 53.43 C ATOM 900 CD1 LEU A 55 -2.356 4.449 0.396 1.00 33.10 C ATOM 901 CD2 LEU A 55 -3.889 3.956 2.326 1.00 53.13 C ATOM 0 H LEU A 55 -5.565 6.782 0.693 1.00 23.31 H new ATOM 0 HA LEU A 55 -4.752 6.285 3.358 1.00 41.41 H new ATOM 0 HB2 LEU A 55 -3.133 7.009 0.883 1.00 22.14 H new ATOM 0 HB3 LEU A 55 -2.467 6.349 2.363 1.00 22.14 H new ATOM 0 HG LEU A 55 -4.428 4.948 0.513 1.00 53.43 H new ATOM 0 HD11 LEU A 55 -2.535 3.439 0.027 1.00 33.10 H new ATOM 0 HD12 LEU A 55 -2.185 5.119 -0.447 1.00 33.10 H new ATOM 0 HD13 LEU A 55 -1.478 4.448 1.042 1.00 33.10 H new ATOM 0 HD21 LEU A 55 -4.041 2.956 1.921 1.00 53.13 H new ATOM 0 HD22 LEU A 55 -3.059 3.939 3.032 1.00 53.13 H new ATOM 0 HD23 LEU A 55 -4.794 4.281 2.838 1.00 53.13 H new ATOM 913 N ARG A 56 -4.365 9.367 2.281 1.00 61.41 N ATOM 914 CA ARG A 56 -4.177 10.751 2.741 1.00 53.24 C ATOM 915 C ARG A 56 -5.142 11.092 3.888 1.00 23.33 C ATOM 916 O ARG A 56 -4.762 11.725 4.874 1.00 52.23 O ATOM 917 CB ARG A 56 -4.402 11.736 1.585 1.00 52.43 C ATOM 918 CG ARG A 56 -3.314 11.708 0.520 1.00 24.05 C ATOM 919 CD ARG A 56 -3.655 12.617 -0.656 1.00 72.12 C ATOM 920 NE ARG A 56 -3.984 13.981 -0.232 1.00 23.34 N ATOM 921 CZ ARG A 56 -3.507 15.063 -0.792 1.00 75.43 C ATOM 922 NH1 ARG A 56 -2.641 14.980 -1.751 1.00 72.30 N ATOM 923 NH2 ARG A 56 -3.891 16.228 -0.383 1.00 13.05 N ATOM 0 H ARG A 56 -4.671 9.286 1.311 1.00 61.41 H new ATOM 0 HA ARG A 56 -3.153 10.839 3.104 1.00 53.24 H new ATOM 0 HB2 ARG A 56 -5.360 11.515 1.115 1.00 52.43 H new ATOM 0 HB3 ARG A 56 -4.472 12.745 1.991 1.00 52.43 H new ATOM 0 HG2 ARG A 56 -2.366 12.020 0.959 1.00 24.05 H new ATOM 0 HG3 ARG A 56 -3.179 10.687 0.164 1.00 24.05 H new ATOM 0 HD2 ARG A 56 -2.811 12.647 -1.345 1.00 72.12 H new ATOM 0 HD3 ARG A 56 -4.498 12.197 -1.204 1.00 72.12 H new ATOM 0 HE ARG A 56 -4.627 14.094 0.551 1.00 23.34 H new ATOM 0 HH11 ARG A 56 -2.325 14.066 -2.076 1.00 72.30 H new ATOM 0 HH12 ARG A 56 -2.274 15.829 -2.182 1.00 72.30 H new ATOM 0 HH21 ARG A 56 -4.567 16.304 0.377 1.00 13.05 H new ATOM 0 HH22 ARG A 56 -3.518 17.071 -0.821 1.00 13.05 H new ATOM 937 N LYS A 57 -6.396 10.673 3.738 1.00 33.21 N ATOM 938 CA LYS A 57 -7.434 10.943 4.739 1.00 74.24 C ATOM 939 C LYS A 57 -7.219 10.115 6.012 1.00 30.15 C ATOM 940 O LYS A 57 -7.437 10.594 7.127 1.00 11.20 O ATOM 941 CB LYS A 57 -8.819 10.622 4.156 1.00 11.31 C ATOM 942 CG LYS A 57 -9.136 11.378 2.873 1.00 43.25 C ATOM 943 CD LYS A 57 -10.477 10.954 2.286 1.00 5.14 C ATOM 944 CE LYS A 57 -10.755 11.644 0.956 1.00 22.23 C ATOM 945 NZ LYS A 57 -10.785 13.126 1.087 1.00 5.22 N ATOM 0 H LYS A 57 -6.723 10.143 2.930 1.00 33.21 H new ATOM 0 HA LYS A 57 -7.373 11.999 5.001 1.00 74.24 H new ATOM 0 HB2 LYS A 57 -8.881 9.551 3.961 1.00 11.31 H new ATOM 0 HB3 LYS A 57 -9.580 10.855 4.901 1.00 11.31 H new ATOM 0 HG2 LYS A 57 -9.150 12.449 3.075 1.00 43.25 H new ATOM 0 HG3 LYS A 57 -8.347 11.202 2.142 1.00 43.25 H new ATOM 0 HD2 LYS A 57 -10.486 9.873 2.144 1.00 5.14 H new ATOM 0 HD3 LYS A 57 -11.274 11.190 2.992 1.00 5.14 H new ATOM 0 HE2 LYS A 57 -9.989 11.360 0.234 1.00 22.23 H new ATOM 0 HE3 LYS A 57 -11.710 11.296 0.561 1.00 22.23 H new ATOM 0 HZ1 LYS A 57 -11.125 13.546 0.199 1.00 5.22 H new ATOM 0 HZ2 LYS A 57 -11.423 13.393 1.863 1.00 5.22 H new ATOM 0 HZ3 LYS A 57 -9.827 13.476 1.291 1.00 5.22 H new ATOM 959 N THR A 58 -6.774 8.876 5.837 1.00 33.43 N ATOM 960 CA THR A 58 -6.683 7.917 6.945 1.00 72.54 C ATOM 961 C THR A 58 -5.230 7.512 7.245 1.00 53.15 C ATOM 962 O THR A 58 -4.644 6.685 6.541 1.00 61.15 O ATOM 963 CB THR A 58 -7.513 6.645 6.632 1.00 31.25 C ATOM 964 OG1 THR A 58 -8.841 7.014 6.222 1.00 60.30 O ATOM 965 CG2 THR A 58 -7.594 5.727 7.842 1.00 23.31 C ATOM 0 H THR A 58 -6.468 8.506 4.937 1.00 33.43 H new ATOM 0 HA THR A 58 -7.086 8.415 7.827 1.00 72.54 H new ATOM 0 HB THR A 58 -7.013 6.109 5.825 1.00 31.25 H new ATOM 0 HG1 THR A 58 -9.259 6.262 5.752 1.00 60.30 H new ATOM 0 HG21 THR A 58 -8.182 4.845 7.590 1.00 23.31 H new ATOM 0 HG22 THR A 58 -6.589 5.422 8.135 1.00 23.31 H new ATOM 0 HG23 THR A 58 -8.068 6.256 8.669 1.00 23.31 H new ATOM 973 N ASP A 59 -4.664 8.082 8.310 1.00 32.51 N ATOM 974 CA ASP A 59 -3.274 7.813 8.701 1.00 3.04 C ATOM 975 C ASP A 59 -3.032 6.333 9.036 1.00 2.32 C ATOM 976 O ASP A 59 -2.121 5.710 8.485 1.00 45.42 O ATOM 977 CB ASP A 59 -2.880 8.685 9.901 1.00 72.44 C ATOM 978 CG ASP A 59 -2.619 10.128 9.513 1.00 44.21 C ATOM 979 OD1 ASP A 59 -3.574 10.835 9.134 1.00 2.43 O ATOM 980 OD2 ASP A 59 -1.447 10.560 9.568 1.00 32.23 O ATOM 0 H ASP A 59 -5.149 8.738 8.923 1.00 32.51 H new ATOM 0 HA ASP A 59 -2.651 8.061 7.842 1.00 3.04 H new ATOM 0 HB2 ASP A 59 -3.675 8.651 10.646 1.00 72.44 H new ATOM 0 HB3 ASP A 59 -1.987 8.271 10.368 1.00 72.44 H new ATOM 985 N TRP A 60 -3.848 5.764 9.932 1.00 13.44 N ATOM 986 CA TRP A 60 -3.637 4.381 10.386 1.00 31.55 C ATOM 987 C TRP A 60 -3.694 3.379 9.217 1.00 24.10 C ATOM 988 O TRP A 60 -3.128 2.290 9.295 1.00 44.34 O ATOM 989 CB TRP A 60 -4.637 3.992 11.493 1.00 13.24 C ATOM 990 CG TRP A 60 -6.086 4.019 11.085 1.00 73.43 C ATOM 991 CD1 TRP A 60 -6.972 5.048 11.259 1.00 52.00 C ATOM 992 CD2 TRP A 60 -6.829 2.954 10.465 1.00 52.22 C ATOM 993 NE1 TRP A 60 -8.210 4.692 10.778 1.00 45.41 N ATOM 994 CE2 TRP A 60 -8.147 3.413 10.288 1.00 2.20 C ATOM 995 CE3 TRP A 60 -6.501 1.662 10.037 1.00 50.11 C ATOM 996 CZ2 TRP A 60 -9.138 2.626 9.707 1.00 23.33 C ATOM 997 CZ3 TRP A 60 -7.487 0.881 9.460 1.00 75.13 C ATOM 998 CH2 TRP A 60 -8.791 1.367 9.300 1.00 2.32 C ATOM 0 H TRP A 60 -4.651 6.231 10.353 1.00 13.44 H new ATOM 0 HA TRP A 60 -2.633 4.335 10.809 1.00 31.55 H new ATOM 0 HB2 TRP A 60 -4.394 2.989 11.845 1.00 13.24 H new ATOM 0 HB3 TRP A 60 -4.501 4.668 12.337 1.00 13.24 H new ATOM 0 HD1 TRP A 60 -6.733 6.001 11.709 1.00 52.00 H new ATOM 0 HE1 TRP A 60 -9.041 5.284 10.785 1.00 45.41 H new ATOM 0 HE3 TRP A 60 -5.497 1.282 10.155 1.00 50.11 H new ATOM 0 HZ2 TRP A 60 -10.145 2.996 9.582 1.00 23.33 H new ATOM 0 HZ3 TRP A 60 -7.247 -0.118 9.128 1.00 75.13 H new ATOM 0 HH2 TRP A 60 -9.539 0.734 8.845 1.00 2.32 H new ATOM 1009 N ALA A 61 -4.372 3.753 8.130 1.00 34.23 N ATOM 1010 CA ALA A 61 -4.403 2.926 6.918 1.00 4.14 C ATOM 1011 C ALA A 61 -3.071 3.020 6.156 1.00 11.35 C ATOM 1012 O ALA A 61 -2.496 2.004 5.756 1.00 2.14 O ATOM 1013 CB ALA A 61 -5.566 3.339 6.022 1.00 54.25 C ATOM 0 H ALA A 61 -4.906 4.620 8.062 1.00 34.23 H new ATOM 0 HA ALA A 61 -4.548 1.888 7.216 1.00 4.14 H new ATOM 0 HB1 ALA A 61 -5.575 2.716 5.127 1.00 54.25 H new ATOM 0 HB2 ALA A 61 -6.504 3.212 6.562 1.00 54.25 H new ATOM 0 HB3 ALA A 61 -5.451 4.384 5.735 1.00 54.25 H new ATOM 1019 N ARG A 62 -2.576 4.248 5.974 1.00 43.54 N ATOM 1020 CA ARG A 62 -1.308 4.481 5.268 1.00 74.02 C ATOM 1021 C ARG A 62 -0.126 3.815 5.996 1.00 34.04 C ATOM 1022 O ARG A 62 0.681 3.116 5.375 1.00 35.33 O ATOM 1023 CB ARG A 62 -1.040 5.987 5.124 1.00 1.43 C ATOM 1024 CG ARG A 62 0.196 6.313 4.285 1.00 2.13 C ATOM 1025 CD ARG A 62 0.513 7.806 4.287 1.00 43.03 C ATOM 1026 NE ARG A 62 0.894 8.286 5.617 1.00 41.02 N ATOM 1027 CZ ARG A 62 1.658 9.324 5.830 1.00 44.35 C ATOM 1028 NH1 ARG A 62 2.127 10.016 4.841 1.00 1.24 N ATOM 1029 NH2 ARG A 62 1.958 9.666 7.039 1.00 0.43 N ATOM 0 H ARG A 62 -3.033 5.098 6.305 1.00 43.54 H new ATOM 0 HA ARG A 62 -1.399 4.033 4.279 1.00 74.02 H new ATOM 0 HB2 ARG A 62 -1.911 6.461 4.671 1.00 1.43 H new ATOM 0 HB3 ARG A 62 -0.920 6.422 6.116 1.00 1.43 H new ATOM 0 HG2 ARG A 62 1.052 5.760 4.672 1.00 2.13 H new ATOM 0 HG3 ARG A 62 0.037 5.978 3.260 1.00 2.13 H new ATOM 0 HD2 ARG A 62 1.322 8.005 3.584 1.00 43.03 H new ATOM 0 HD3 ARG A 62 -0.357 8.361 3.937 1.00 43.03 H new ATOM 0 HE ARG A 62 0.541 7.778 6.428 1.00 41.02 H new ATOM 0 HH11 ARG A 62 1.901 9.753 3.882 1.00 1.24 H new ATOM 0 HH12 ARG A 62 2.722 10.824 5.021 1.00 1.24 H new ATOM 0 HH21 ARG A 62 1.598 9.126 7.826 1.00 0.43 H new ATOM 0 HH22 ARG A 62 2.554 10.476 7.207 1.00 0.43 H new ATOM 1043 N GLU A 63 -0.044 4.032 7.315 1.00 22.21 N ATOM 1044 CA GLU A 63 1.032 3.466 8.147 1.00 13.31 C ATOM 1045 C GLU A 63 1.156 1.946 7.960 1.00 61.33 C ATOM 1046 O GLU A 63 2.255 1.390 8.004 1.00 0.54 O ATOM 1047 CB GLU A 63 0.785 3.791 9.632 1.00 52.51 C ATOM 1048 CG GLU A 63 0.778 5.286 9.947 1.00 31.12 C ATOM 1049 CD GLU A 63 0.534 5.584 11.421 1.00 74.43 C ATOM 1050 OE1 GLU A 63 -0.618 5.439 11.882 1.00 74.15 O ATOM 1051 OE2 GLU A 63 1.493 5.966 12.128 1.00 54.02 O ATOM 0 H GLU A 63 -0.714 4.599 7.834 1.00 22.21 H new ATOM 0 HA GLU A 63 1.969 3.922 7.826 1.00 13.31 H new ATOM 0 HB2 GLU A 63 -0.171 3.362 9.933 1.00 52.51 H new ATOM 0 HB3 GLU A 63 1.555 3.307 10.232 1.00 52.51 H new ATOM 0 HG2 GLU A 63 1.733 5.719 9.648 1.00 31.12 H new ATOM 0 HG3 GLU A 63 0.006 5.773 9.351 1.00 31.12 H new ATOM 1058 N ARG A 64 0.023 1.277 7.756 1.00 24.10 N ATOM 1059 CA ARG A 64 0.014 -0.169 7.508 1.00 3.43 C ATOM 1060 C ARG A 64 0.609 -0.502 6.129 1.00 35.21 C ATOM 1061 O ARG A 64 1.487 -1.356 6.013 1.00 4.20 O ATOM 1062 CB ARG A 64 -1.417 -0.717 7.624 1.00 71.11 C ATOM 1063 CG ARG A 64 -2.009 -0.567 9.023 1.00 13.20 C ATOM 1064 CD ARG A 64 -3.455 -1.050 9.088 1.00 43.54 C ATOM 1065 NE ARG A 64 -3.588 -2.461 8.724 1.00 34.04 N ATOM 1066 CZ ARG A 64 -4.717 -3.120 8.746 1.00 32.53 C ATOM 1067 NH1 ARG A 64 -5.805 -2.550 9.159 1.00 71.32 N ATOM 1068 NH2 ARG A 64 -4.752 -4.358 8.373 1.00 1.32 N ATOM 0 H ARG A 64 -0.901 1.709 7.757 1.00 24.10 H new ATOM 0 HA ARG A 64 0.638 -0.647 8.263 1.00 3.43 H new ATOM 0 HB2 ARG A 64 -2.056 -0.199 6.909 1.00 71.11 H new ATOM 0 HB3 ARG A 64 -1.419 -1.771 7.347 1.00 71.11 H new ATOM 0 HG2 ARG A 64 -1.406 -1.132 9.734 1.00 13.20 H new ATOM 0 HG3 ARG A 64 -1.962 0.479 9.326 1.00 13.20 H new ATOM 0 HD2 ARG A 64 -3.841 -0.900 10.096 1.00 43.54 H new ATOM 0 HD3 ARG A 64 -4.068 -0.446 8.419 1.00 43.54 H new ATOM 0 HE ARG A 64 -2.748 -2.962 8.435 1.00 34.04 H new ATOM 0 HH11 ARG A 64 -5.785 -1.579 9.471 1.00 71.32 H new ATOM 0 HH12 ARG A 64 -6.681 -3.072 9.172 1.00 71.32 H new ATOM 0 HH21 ARG A 64 -3.898 -4.821 8.061 1.00 1.32 H new ATOM 0 HH22 ARG A 64 -5.633 -4.871 8.391 1.00 1.32 H new ATOM 1082 N VAL A 65 0.140 0.197 5.096 1.00 71.11 N ATOM 1083 CA VAL A 65 0.614 -0.019 3.718 1.00 12.42 C ATOM 1084 C VAL A 65 2.143 0.138 3.604 1.00 1.24 C ATOM 1085 O VAL A 65 2.846 -0.768 3.139 1.00 70.23 O ATOM 1086 CB VAL A 65 -0.078 0.963 2.734 1.00 24.44 C ATOM 1087 CG1 VAL A 65 0.431 0.762 1.305 1.00 73.25 C ATOM 1088 CG2 VAL A 65 -1.598 0.804 2.798 1.00 45.22 C ATOM 0 H VAL A 65 -0.572 0.923 5.182 1.00 71.11 H new ATOM 0 HA VAL A 65 0.353 -1.044 3.453 1.00 12.42 H new ATOM 0 HB VAL A 65 0.174 1.979 3.037 1.00 24.44 H new ATOM 0 HG11 VAL A 65 -0.071 1.463 0.638 1.00 73.25 H new ATOM 0 HG12 VAL A 65 1.506 0.938 1.274 1.00 73.25 H new ATOM 0 HG13 VAL A 65 0.221 -0.258 0.984 1.00 73.25 H new ATOM 0 HG21 VAL A 65 -2.066 1.500 2.102 1.00 45.22 H new ATOM 0 HG22 VAL A 65 -1.869 -0.217 2.528 1.00 45.22 H new ATOM 0 HG23 VAL A 65 -1.944 1.015 3.810 1.00 45.22 H new ATOM 1098 N GLU A 66 2.654 1.286 4.047 1.00 23.05 N ATOM 1099 CA GLU A 66 4.093 1.565 3.983 1.00 74.55 C ATOM 1100 C GLU A 66 4.900 0.570 4.837 1.00 73.34 C ATOM 1101 O GLU A 66 6.004 0.168 4.461 1.00 23.11 O ATOM 1102 CB GLU A 66 4.382 3.010 4.420 1.00 15.21 C ATOM 1103 CG GLU A 66 3.976 3.328 5.857 1.00 15.33 C ATOM 1104 CD GLU A 66 4.182 4.794 6.215 1.00 20.42 C ATOM 1105 OE1 GLU A 66 5.328 5.175 6.543 1.00 72.12 O ATOM 1106 OE2 GLU A 66 3.204 5.569 6.169 1.00 31.20 O ATOM 0 H GLU A 66 2.097 2.038 4.453 1.00 23.05 H new ATOM 0 HA GLU A 66 4.408 1.443 2.947 1.00 74.55 H new ATOM 0 HB2 GLU A 66 5.448 3.205 4.305 1.00 15.21 H new ATOM 0 HB3 GLU A 66 3.859 3.691 3.749 1.00 15.21 H new ATOM 0 HG2 GLU A 66 2.927 3.067 6.000 1.00 15.33 H new ATOM 0 HG3 GLU A 66 4.555 2.707 6.540 1.00 15.33 H new ATOM 1113 N ASN A 67 4.338 0.165 5.979 1.00 54.02 N ATOM 1114 CA ASN A 67 4.990 -0.821 6.851 1.00 41.25 C ATOM 1115 C ASN A 67 5.092 -2.188 6.155 1.00 73.41 C ATOM 1116 O ASN A 67 6.102 -2.878 6.276 1.00 74.44 O ATOM 1117 CB ASN A 67 4.228 -0.961 8.172 1.00 12.13 C ATOM 1118 CG ASN A 67 4.933 -1.868 9.170 1.00 0.15 C ATOM 1119 OD1 ASN A 67 6.156 -1.926 9.229 1.00 61.44 O ATOM 1120 ND2 ASN A 67 4.162 -2.595 9.956 1.00 64.11 N ATOM 0 H ASN A 67 3.438 0.501 6.322 1.00 54.02 H new ATOM 0 HA ASN A 67 5.998 -0.465 7.063 1.00 41.25 H new ATOM 0 HB2 ASN A 67 4.096 0.026 8.616 1.00 12.13 H new ATOM 0 HB3 ASN A 67 3.232 -1.356 7.971 1.00 12.13 H new ATOM 0 HD21 ASN A 67 4.581 -3.228 10.637 1.00 64.11 H new ATOM 0 HD22 ASN A 67 3.147 -2.524 9.882 1.00 64.11 H new ATOM 1127 N ILE A 68 4.040 -2.572 5.426 1.00 21.13 N ATOM 1128 CA ILE A 68 4.043 -3.830 4.668 1.00 13.53 C ATOM 1129 C ILE A 68 5.222 -3.881 3.690 1.00 54.44 C ATOM 1130 O ILE A 68 5.918 -4.895 3.591 1.00 30.44 O ATOM 1131 CB ILE A 68 2.717 -4.038 3.886 1.00 42.41 C ATOM 1132 CG1 ILE A 68 1.544 -4.226 4.862 1.00 14.44 C ATOM 1133 CG2 ILE A 68 2.820 -5.230 2.928 1.00 25.35 C ATOM 1134 CD1 ILE A 68 0.198 -4.387 4.181 1.00 24.44 C ATOM 0 H ILE A 68 3.178 -2.033 5.344 1.00 21.13 H new ATOM 0 HA ILE A 68 4.144 -4.634 5.397 1.00 13.53 H new ATOM 0 HB ILE A 68 2.533 -3.145 3.288 1.00 42.41 H new ATOM 0 HG12 ILE A 68 1.735 -5.104 5.480 1.00 14.44 H new ATOM 0 HG13 ILE A 68 1.501 -3.368 5.532 1.00 14.44 H new ATOM 0 HG21 ILE A 68 1.877 -5.351 2.395 1.00 25.35 H new ATOM 0 HG22 ILE A 68 3.622 -5.053 2.211 1.00 25.35 H new ATOM 0 HG23 ILE A 68 3.034 -6.136 3.496 1.00 25.35 H new ATOM 0 HD11 ILE A 68 -0.578 -4.515 4.935 1.00 24.44 H new ATOM 0 HD12 ILE A 68 -0.017 -3.500 3.586 1.00 24.44 H new ATOM 0 HD13 ILE A 68 0.221 -5.262 3.532 1.00 24.44 H new ATOM 1146 N TYR A 69 5.454 -2.782 2.970 1.00 22.13 N ATOM 1147 CA TYR A 69 6.593 -2.713 2.047 1.00 42.51 C ATOM 1148 C TYR A 69 7.929 -2.855 2.798 1.00 11.14 C ATOM 1149 O TYR A 69 8.856 -3.510 2.314 1.00 52.41 O ATOM 1150 CB TYR A 69 6.572 -1.407 1.245 1.00 75.32 C ATOM 1151 CG TYR A 69 7.623 -1.359 0.148 1.00 3.15 C ATOM 1152 CD1 TYR A 69 7.544 -2.216 -0.945 1.00 25.42 C ATOM 1153 CD2 TYR A 69 8.696 -0.474 0.208 1.00 22.03 C ATOM 1154 CE1 TYR A 69 8.497 -2.191 -1.945 1.00 43.32 C ATOM 1155 CE2 TYR A 69 9.654 -0.445 -0.788 1.00 2.01 C ATOM 1156 CZ TYR A 69 9.551 -1.307 -1.862 1.00 41.32 C ATOM 1157 OH TYR A 69 10.505 -1.288 -2.856 1.00 35.42 O ATOM 0 H TYR A 69 4.880 -1.939 3.005 1.00 22.13 H new ATOM 0 HA TYR A 69 6.501 -3.548 1.352 1.00 42.51 H new ATOM 0 HB2 TYR A 69 5.586 -1.278 0.800 1.00 75.32 H new ATOM 0 HB3 TYR A 69 6.727 -0.569 1.924 1.00 75.32 H new ATOM 0 HD1 TYR A 69 6.722 -2.914 -1.013 1.00 25.42 H new ATOM 0 HD2 TYR A 69 8.781 0.201 1.047 1.00 22.03 H new ATOM 0 HE1 TYR A 69 8.416 -2.861 -2.788 1.00 43.32 H new ATOM 0 HE2 TYR A 69 10.479 0.249 -0.727 1.00 2.01 H new ATOM 0 HH TYR A 69 10.120 -1.639 -3.686 1.00 35.42 H new ATOM 1167 N LEU A 70 8.020 -2.247 3.982 1.00 50.43 N ATOM 1168 CA LEU A 70 9.213 -2.375 4.834 1.00 12.24 C ATOM 1169 C LEU A 70 9.431 -3.837 5.258 1.00 21.41 C ATOM 1170 O LEU A 70 10.540 -4.371 5.163 1.00 10.32 O ATOM 1171 CB LEU A 70 9.081 -1.483 6.077 1.00 44.13 C ATOM 1172 CG LEU A 70 8.949 0.022 5.799 1.00 4.31 C ATOM 1173 CD1 LEU A 70 8.779 0.796 7.105 1.00 21.32 C ATOM 1174 CD2 LEU A 70 10.155 0.539 5.017 1.00 12.11 C ATOM 0 H LEU A 70 7.285 -1.660 4.376 1.00 50.43 H new ATOM 0 HA LEU A 70 10.077 -2.051 4.254 1.00 12.24 H new ATOM 0 HB2 LEU A 70 8.209 -1.808 6.645 1.00 44.13 H new ATOM 0 HB3 LEU A 70 9.953 -1.643 6.712 1.00 44.13 H new ATOM 0 HG LEU A 70 8.059 0.179 5.189 1.00 4.31 H new ATOM 0 HD11 LEU A 70 8.687 1.860 6.888 1.00 21.32 H new ATOM 0 HD12 LEU A 70 7.881 0.451 7.618 1.00 21.32 H new ATOM 0 HD13 LEU A 70 9.647 0.629 7.742 1.00 21.32 H new ATOM 0 HD21 LEU A 70 10.038 1.607 4.832 1.00 12.11 H new ATOM 0 HD22 LEU A 70 11.064 0.368 5.594 1.00 12.11 H new ATOM 0 HD23 LEU A 70 10.225 0.012 4.066 1.00 12.11 H new ATOM 1186 N LYS A 71 8.359 -4.482 5.718 1.00 33.33 N ATOM 1187 CA LYS A 71 8.393 -5.905 6.062 1.00 12.40 C ATOM 1188 C LYS A 71 8.820 -6.743 4.848 1.00 64.21 C ATOM 1189 O LYS A 71 9.540 -7.736 4.980 1.00 25.21 O ATOM 1190 CB LYS A 71 7.019 -6.361 6.564 1.00 5.51 C ATOM 1191 CG LYS A 71 6.556 -5.644 7.829 1.00 54.31 C ATOM 1192 CD LYS A 71 5.140 -6.053 8.227 1.00 71.52 C ATOM 1193 CE LYS A 71 5.041 -7.539 8.557 1.00 60.11 C ATOM 1194 NZ LYS A 71 3.637 -7.959 8.813 1.00 74.34 N ATOM 0 H LYS A 71 7.451 -4.039 5.862 1.00 33.33 H new ATOM 0 HA LYS A 71 9.124 -6.051 6.857 1.00 12.40 H new ATOM 0 HB2 LYS A 71 6.283 -6.200 5.776 1.00 5.51 H new ATOM 0 HB3 LYS A 71 7.050 -7.433 6.756 1.00 5.51 H new ATOM 0 HG2 LYS A 71 7.242 -5.868 8.646 1.00 54.31 H new ATOM 0 HG3 LYS A 71 6.592 -4.566 7.670 1.00 54.31 H new ATOM 0 HD2 LYS A 71 4.824 -5.469 9.091 1.00 71.52 H new ATOM 0 HD3 LYS A 71 4.453 -5.816 7.414 1.00 71.52 H new ATOM 0 HE2 LYS A 71 5.449 -8.122 7.731 1.00 60.11 H new ATOM 0 HE3 LYS A 71 5.651 -7.757 9.434 1.00 60.11 H new ATOM 0 HZ1 LYS A 71 3.613 -8.975 9.033 1.00 74.34 H new ATOM 0 HZ2 LYS A 71 3.255 -7.421 9.617 1.00 74.34 H new ATOM 0 HZ3 LYS A 71 3.060 -7.775 7.968 1.00 74.34 H new ATOM 1208 N LEU A 72 8.372 -6.333 3.667 1.00 55.31 N ATOM 1209 CA LEU A 72 8.795 -6.962 2.413 1.00 41.13 C ATOM 1210 C LEU A 72 10.310 -6.798 2.196 1.00 50.01 C ATOM 1211 O LEU A 72 10.981 -7.722 1.744 1.00 4.04 O ATOM 1212 CB LEU A 72 8.021 -6.359 1.228 1.00 3.34 C ATOM 1213 CG LEU A 72 8.453 -6.839 -0.171 1.00 45.03 C ATOM 1214 CD1 LEU A 72 8.254 -8.347 -0.327 1.00 50.32 C ATOM 1215 CD2 LEU A 72 7.692 -6.077 -1.257 1.00 15.14 C ATOM 0 H LEU A 72 7.712 -5.564 3.547 1.00 55.31 H new ATOM 0 HA LEU A 72 8.574 -8.027 2.477 1.00 41.13 H new ATOM 0 HB2 LEU A 72 6.963 -6.585 1.358 1.00 3.34 H new ATOM 0 HB3 LEU A 72 8.123 -5.274 1.266 1.00 3.34 H new ATOM 0 HG LEU A 72 9.517 -6.632 -0.283 1.00 45.03 H new ATOM 0 HD11 LEU A 72 8.568 -8.654 -1.325 1.00 50.32 H new ATOM 0 HD12 LEU A 72 8.851 -8.872 0.419 1.00 50.32 H new ATOM 0 HD13 LEU A 72 7.201 -8.591 -0.187 1.00 50.32 H new ATOM 0 HD21 LEU A 72 8.010 -6.429 -2.239 1.00 15.14 H new ATOM 0 HD22 LEU A 72 6.622 -6.247 -1.139 1.00 15.14 H new ATOM 0 HD23 LEU A 72 7.902 -5.011 -1.168 1.00 15.14 H new ATOM 1227 N GLN A 73 10.845 -5.622 2.536 1.00 21.04 N ATOM 1228 CA GLN A 73 12.278 -5.343 2.348 1.00 3.23 C ATOM 1229 C GLN A 73 13.154 -6.294 3.176 1.00 61.03 C ATOM 1230 O GLN A 73 14.116 -6.865 2.664 1.00 3.41 O ATOM 1231 CB GLN A 73 12.612 -3.881 2.697 1.00 64.45 C ATOM 1232 CG GLN A 73 11.836 -2.849 1.883 1.00 55.33 C ATOM 1233 CD GLN A 73 11.836 -3.142 0.389 1.00 3.11 C ATOM 1234 OE1 GLN A 73 12.727 -2.724 -0.343 1.00 43.02 O ATOM 1235 NE2 GLN A 73 10.826 -3.851 -0.076 1.00 2.13 N ATOM 0 H GLN A 73 10.315 -4.850 2.940 1.00 21.04 H new ATOM 0 HA GLN A 73 12.498 -5.509 1.293 1.00 3.23 H new ATOM 0 HB2 GLN A 73 12.411 -3.717 3.756 1.00 64.45 H new ATOM 0 HB3 GLN A 73 13.679 -3.718 2.546 1.00 64.45 H new ATOM 0 HG2 GLN A 73 10.807 -2.813 2.240 1.00 55.33 H new ATOM 0 HG3 GLN A 73 12.267 -1.862 2.053 1.00 55.33 H new ATOM 0 HE21 GLN A 73 10.101 -4.184 0.560 1.00 2.13 H new ATOM 0 HE22 GLN A 73 10.770 -4.067 -1.071 1.00 2.13 H new