USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 513 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 7 MET CE :methyl 152:sc= -0.36 (180deg=-1.93) USER MOD Set 1.2: A 57 MET CE :methyl 166:sc= -1.53 (180deg=-3.05!) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.09) USER MOD Single : A 8 LYS NZ :NH3+ -116:sc= 1.02 (180deg=-3.74!) USER MOD Single : A 18 THR OG1 : rot -23:sc= 0.65 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : A 32 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.074) USER MOD Single : A 35 LYS NZ :NH3+ -165:sc=-0.00603 (180deg=-0.164) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0669 K(o=-0.067,f=-1.2!) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0548 USER MOD Single : A 47 TYR OH : rot 106:sc= 0.0457 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 50 HIS : no HD1:sc= -0.0528 X(o=-0.053,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 144:sc= -1.3 (180deg=-3.44!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0.983 K(o=0.98,f=-2.6!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.598 7.165 8.349 1.00 0.00 N ATOM 26 CA VAL A 3 -3.332 7.870 8.298 1.00 0.00 C ATOM 27 C VAL A 3 -2.579 7.382 7.060 1.00 0.00 C ATOM 28 O VAL A 3 -2.793 6.256 6.608 1.00 0.00 O ATOM 29 CB VAL A 3 -2.528 7.582 9.577 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.257 8.440 9.605 1.00 0.00 C ATOM 31 CG2 VAL A 3 -3.355 7.837 10.845 1.00 0.00 C ATOM 0 HA VAL A 3 -3.486 8.947 8.236 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.259 6.526 9.562 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.695 8.228 10.515 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.642 8.207 8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.530 9.495 9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.748 7.621 11.725 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.671 8.880 10.869 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.233 7.191 10.843 1.00 0.00 H new ATOM 41 N VAL A 4 -1.734 8.248 6.490 1.00 0.00 N ATOM 42 CA VAL A 4 -0.971 7.974 5.286 1.00 0.00 C ATOM 43 C VAL A 4 0.298 7.173 5.612 1.00 0.00 C ATOM 44 O VAL A 4 1.070 7.562 6.489 1.00 0.00 O ATOM 45 CB VAL A 4 -0.741 9.289 4.516 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.678 9.820 4.668 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.034 9.089 3.028 1.00 0.00 C ATOM 0 H VAL A 4 -1.564 9.179 6.869 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.531 7.326 4.611 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.423 10.022 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.782 10.747 4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.884 10.010 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.385 9.083 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.868 10.025 2.495 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.373 8.321 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.071 8.778 2.900 1.00 0.00 H new ATOM 57 N LEU A 5 0.535 6.080 4.882 1.00 0.00 N ATOM 58 CA LEU A 5 1.720 5.248 4.963 1.00 0.00 C ATOM 59 C LEU A 5 2.343 5.170 3.564 1.00 0.00 C ATOM 60 O LEU A 5 1.644 5.348 2.564 1.00 0.00 O ATOM 61 CB LEU A 5 1.353 3.936 5.676 1.00 0.00 C ATOM 62 CG LEU A 5 1.264 2.621 4.898 1.00 0.00 C ATOM 63 CD1 LEU A 5 0.135 2.649 3.877 1.00 0.00 C ATOM 64 CD2 LEU A 5 2.591 2.213 4.258 1.00 0.00 C ATOM 0 H LEU A 5 -0.131 5.742 4.188 1.00 0.00 H new ATOM 0 HA LEU A 5 2.519 5.654 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.083 3.789 6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.386 4.091 6.155 1.00 0.00 H new ATOM 0 HG LEU A 5 1.031 1.850 5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.103 1.699 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.814 2.811 4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.307 3.458 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.462 1.273 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.912 2.988 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.346 2.087 5.034 1.00 0.00 H new ATOM 76 N LYS A 6 3.664 4.967 3.489 1.00 0.00 N ATOM 77 CA LYS A 6 4.399 4.761 2.246 1.00 0.00 C ATOM 78 C LYS A 6 5.092 3.402 2.296 1.00 0.00 C ATOM 79 O LYS A 6 5.666 3.032 3.323 1.00 0.00 O ATOM 80 CB LYS A 6 5.405 5.901 1.960 1.00 0.00 C ATOM 81 CG LYS A 6 4.931 6.829 0.826 1.00 0.00 C ATOM 82 CD LYS A 6 5.924 6.978 -0.337 1.00 0.00 C ATOM 83 CE LYS A 6 6.936 8.117 -0.153 1.00 0.00 C ATOM 84 NZ LYS A 6 8.030 7.748 0.762 1.00 0.00 N ATOM 0 H LYS A 6 4.262 4.942 4.315 1.00 0.00 H new ATOM 0 HA LYS A 6 3.689 4.776 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.554 6.487 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.371 5.472 1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.987 6.449 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.729 7.816 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.466 6.041 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.366 7.147 -1.258 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.352 8.391 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.423 8.998 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.749 8.499 0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.653 7.627 1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.462 6.857 0.445 1.00 0.00 H new ATOM 98 N MET A 7 5.017 2.679 1.180 1.00 0.00 N ATOM 99 CA MET A 7 5.543 1.339 1.000 1.00 0.00 C ATOM 100 C MET A 7 6.454 1.317 -0.227 1.00 0.00 C ATOM 101 O MET A 7 6.165 1.973 -1.230 1.00 0.00 O ATOM 102 CB MET A 7 4.382 0.347 0.840 1.00 0.00 C ATOM 103 CG MET A 7 3.318 0.863 -0.138 1.00 0.00 C ATOM 104 SD MET A 7 2.289 -0.382 -0.949 1.00 0.00 S ATOM 105 CE MET A 7 1.672 -1.251 0.498 1.00 0.00 C ATOM 0 H MET A 7 4.564 3.035 0.338 1.00 0.00 H new ATOM 0 HA MET A 7 6.126 1.045 1.873 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.768 -0.609 0.485 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.924 0.165 1.812 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.663 1.547 0.402 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.820 1.445 -0.911 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.699 -1.687 0.273 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.369 -2.043 0.772 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.573 -0.551 1.328 1.00 0.00 H new ATOM 115 N LYS A 8 7.536 0.542 -0.141 1.00 0.00 N ATOM 116 CA LYS A 8 8.365 0.188 -1.280 1.00 0.00 C ATOM 117 C LYS A 8 7.707 -1.011 -1.942 1.00 0.00 C ATOM 118 O LYS A 8 7.360 -1.965 -1.247 1.00 0.00 O ATOM 119 CB LYS A 8 9.795 -0.150 -0.818 1.00 0.00 C ATOM 120 CG LYS A 8 10.814 0.895 -1.288 1.00 0.00 C ATOM 121 CD LYS A 8 10.964 0.909 -2.819 1.00 0.00 C ATOM 122 CE LYS A 8 12.393 0.689 -3.339 1.00 0.00 C ATOM 123 NZ LYS A 8 12.994 -0.569 -2.857 1.00 0.00 N ATOM 0 H LYS A 8 7.861 0.140 0.738 1.00 0.00 H new ATOM 0 HA LYS A 8 8.447 1.017 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.818 -0.215 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.078 -1.130 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.504 1.882 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.782 0.688 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.319 0.137 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.601 1.866 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.381 0.685 -4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.019 1.526 -3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.816 -0.354 -2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.291 -1.100 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.299 -1.142 -3.670 1.00 0.00 H new ATOM 137 N VAL A 9 7.534 -0.964 -3.263 1.00 0.00 N ATOM 138 CA VAL A 9 6.932 -2.050 -4.017 1.00 0.00 C ATOM 139 C VAL A 9 7.972 -2.538 -5.020 1.00 0.00 C ATOM 140 O VAL A 9 8.021 -2.068 -6.154 1.00 0.00 O ATOM 141 CB VAL A 9 5.616 -1.583 -4.660 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.915 -2.794 -5.282 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.680 -0.957 -3.615 1.00 0.00 C ATOM 0 H VAL A 9 7.810 -0.167 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 9 6.656 -2.889 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 9 5.847 -0.833 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.979 -2.476 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.560 -3.238 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.706 -3.531 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.757 -0.636 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.449 -1.694 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.169 -0.096 -3.158 1.00 0.00 H new ATOM 153 N GLU A 10 8.852 -3.431 -4.563 1.00 0.00 N ATOM 154 CA GLU A 10 9.974 -3.891 -5.367 1.00 0.00 C ATOM 155 C GLU A 10 9.540 -4.808 -6.504 1.00 0.00 C ATOM 156 O GLU A 10 8.440 -5.360 -6.499 1.00 0.00 O ATOM 157 CB GLU A 10 11.028 -4.571 -4.479 1.00 0.00 C ATOM 158 CG GLU A 10 12.005 -3.515 -3.968 1.00 0.00 C ATOM 159 CD GLU A 10 12.939 -3.024 -5.071 1.00 0.00 C ATOM 160 OE1 GLU A 10 12.798 -3.505 -6.218 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.754 -2.142 -4.718 1.00 0.00 O ATOM 0 H GLU A 10 8.804 -3.849 -3.634 1.00 0.00 H new ATOM 0 HA GLU A 10 10.421 -3.012 -5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.546 -5.074 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.561 -5.334 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.448 -2.671 -3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.595 -3.931 -3.151 1.00 0.00 H new ATOM 168 N GLY A 11 10.421 -4.963 -7.495 1.00 0.00 N ATOM 169 CA GLY A 11 10.218 -5.865 -8.626 1.00 0.00 C ATOM 170 C GLY A 11 9.197 -5.351 -9.651 1.00 0.00 C ATOM 171 O GLY A 11 9.446 -5.409 -10.854 1.00 0.00 O ATOM 0 H GLY A 11 11.306 -4.458 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.173 -6.026 -9.127 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.887 -6.834 -8.252 1.00 0.00 H new ATOM 256 N THR A 18 -0.065 -1.600 -11.733 1.00 0.00 N ATOM 257 CA THR A 18 -0.325 -0.424 -10.922 1.00 0.00 C ATOM 258 C THR A 18 -1.829 -0.362 -10.690 1.00 0.00 C ATOM 259 O THR A 18 -2.301 -0.807 -9.656 1.00 0.00 O ATOM 260 CB THR A 18 0.162 0.840 -11.651 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.300 0.837 -12.992 1.00 0.00 O ATOM 262 CG2 THR A 18 1.682 0.963 -11.667 1.00 0.00 C ATOM 0 HA THR A 18 0.206 -0.481 -9.972 1.00 0.00 H new ATOM 0 HB THR A 18 -0.243 1.689 -11.100 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.487 -0.083 -13.271 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.968 1.873 -12.194 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.054 1.004 -10.643 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.112 0.099 -12.175 1.00 0.00 H new ATOM 270 N SER A 19 -2.592 0.138 -11.662 1.00 0.00 N ATOM 271 CA SER A 19 -4.020 0.394 -11.507 1.00 0.00 C ATOM 272 C SER A 19 -4.786 -0.824 -11.010 1.00 0.00 C ATOM 273 O SER A 19 -5.612 -0.721 -10.102 1.00 0.00 O ATOM 274 CB SER A 19 -4.583 0.975 -12.811 1.00 0.00 C ATOM 275 OG SER A 19 -5.958 1.268 -12.688 1.00 0.00 O ATOM 0 H SER A 19 -2.232 0.378 -12.586 1.00 0.00 H new ATOM 0 HA SER A 19 -4.155 1.138 -10.722 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.038 1.881 -13.074 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.431 0.265 -13.624 1.00 0.00 H new ATOM 0 HG SER A 19 -6.290 1.638 -13.532 1.00 0.00 H new ATOM 281 N THR A 20 -4.455 -1.995 -11.548 1.00 0.00 N ATOM 282 CA THR A 20 -4.919 -3.253 -11.005 1.00 0.00 C ATOM 283 C THR A 20 -4.714 -3.324 -9.489 1.00 0.00 C ATOM 284 O THR A 20 -5.662 -3.569 -8.743 1.00 0.00 O ATOM 285 CB THR A 20 -4.192 -4.385 -11.738 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.699 -4.472 -13.052 1.00 0.00 O ATOM 287 CG2 THR A 20 -4.393 -5.702 -11.003 1.00 0.00 C ATOM 0 H THR A 20 -3.859 -2.091 -12.370 1.00 0.00 H new ATOM 0 HA THR A 20 -5.993 -3.351 -11.162 1.00 0.00 H new ATOM 0 HB THR A 20 -3.123 -4.176 -11.772 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.240 -5.192 -13.533 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.871 -6.498 -11.534 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.995 -5.619 -9.992 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.457 -5.934 -10.956 1.00 0.00 H new ATOM 295 N ILE A 21 -3.471 -3.146 -9.039 1.00 0.00 N ATOM 296 CA ILE A 21 -3.127 -3.139 -7.635 1.00 0.00 C ATOM 297 C ILE A 21 -3.943 -2.054 -6.932 1.00 0.00 C ATOM 298 O ILE A 21 -4.576 -2.355 -5.933 1.00 0.00 O ATOM 299 CB ILE A 21 -1.595 -3.005 -7.480 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.899 -4.352 -7.741 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.154 -2.479 -6.116 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.558 -4.548 -9.215 1.00 0.00 C ATOM 0 H ILE A 21 -2.671 -3.002 -9.656 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.387 -4.078 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.296 -2.267 -8.225 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.014 -4.408 -7.148 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.546 -5.164 -7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.066 -2.413 -6.086 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.582 -1.490 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.498 -3.158 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.068 -5.512 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.473 -4.519 -9.807 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.111 -3.752 -9.543 1.00 0.00 H new ATOM 314 N GLU A 22 -3.983 -0.826 -7.452 1.00 0.00 N ATOM 315 CA GLU A 22 -4.705 0.274 -6.833 1.00 0.00 C ATOM 316 C GLU A 22 -6.161 -0.121 -6.563 1.00 0.00 C ATOM 317 O GLU A 22 -6.597 -0.264 -5.421 1.00 0.00 O ATOM 318 CB GLU A 22 -4.599 1.541 -7.698 1.00 0.00 C ATOM 319 CG GLU A 22 -3.148 2.015 -7.844 1.00 0.00 C ATOM 320 CD GLU A 22 -3.077 3.457 -8.325 1.00 0.00 C ATOM 321 OE1 GLU A 22 -3.672 3.722 -9.389 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.435 4.264 -7.616 1.00 0.00 O ATOM 0 H GLU A 22 -3.511 -0.571 -8.319 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.249 0.500 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.017 1.343 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.197 2.336 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.637 1.925 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.623 1.369 -8.548 1.00 0.00 H new ATOM 329 N GLY A 23 -6.899 -0.323 -7.645 1.00 0.00 N ATOM 330 CA GLY A 23 -8.281 -0.776 -7.658 1.00 0.00 C ATOM 331 C GLY A 23 -8.514 -1.963 -6.722 1.00 0.00 C ATOM 332 O GLY A 23 -9.400 -1.910 -5.869 1.00 0.00 O ATOM 0 H GLY A 23 -6.531 -0.167 -8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.933 0.047 -7.366 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.559 -1.058 -8.674 1.00 0.00 H new ATOM 336 N LYS A 24 -7.733 -3.038 -6.871 1.00 0.00 N ATOM 337 CA LYS A 24 -7.862 -4.223 -6.031 1.00 0.00 C ATOM 338 C LYS A 24 -7.691 -3.851 -4.559 1.00 0.00 C ATOM 339 O LYS A 24 -8.512 -4.210 -3.721 1.00 0.00 O ATOM 340 CB LYS A 24 -6.841 -5.284 -6.464 1.00 0.00 C ATOM 341 CG LYS A 24 -6.892 -6.567 -5.613 1.00 0.00 C ATOM 342 CD LYS A 24 -7.104 -7.821 -6.470 1.00 0.00 C ATOM 343 CE LYS A 24 -8.563 -7.916 -6.944 1.00 0.00 C ATOM 344 NZ LYS A 24 -8.770 -9.027 -7.895 1.00 0.00 N ATOM 0 H LYS A 24 -6.998 -3.107 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.860 -4.644 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.018 -5.542 -7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.839 -4.858 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.963 -6.666 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.699 -6.486 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.437 -7.795 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.845 -8.709 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.215 -8.052 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.851 -6.977 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.768 -9.052 -8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.168 -8.885 -8.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.520 -9.927 -7.437 1.00 0.00 H new ATOM 358 N ILE A 25 -6.621 -3.139 -4.228 1.00 0.00 N ATOM 359 CA ILE A 25 -6.328 -2.734 -2.872 1.00 0.00 C ATOM 360 C ILE A 25 -7.420 -1.805 -2.340 1.00 0.00 C ATOM 361 O ILE A 25 -7.727 -1.839 -1.151 1.00 0.00 O ATOM 362 CB ILE A 25 -4.908 -2.157 -2.842 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.817 -3.208 -3.102 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.638 -1.307 -1.608 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.827 -4.324 -2.076 1.00 0.00 C ATOM 0 H ILE A 25 -5.928 -2.826 -4.907 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.339 -3.580 -2.185 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.855 -1.473 -3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.956 -3.632 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.841 -2.723 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.617 -0.927 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.336 -0.470 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.767 -1.915 -0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.037 -5.038 -2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.660 -3.907 -1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.792 -4.831 -2.099 1.00 0.00 H new ATOM 377 N GLY A 26 -8.083 -1.053 -3.217 1.00 0.00 N ATOM 378 CA GLY A 26 -9.284 -0.302 -2.893 1.00 0.00 C ATOM 379 C GLY A 26 -10.409 -1.148 -2.276 1.00 0.00 C ATOM 380 O GLY A 26 -11.325 -0.575 -1.690 1.00 0.00 O ATOM 0 H GLY A 26 -7.791 -0.950 -4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.023 0.497 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.658 0.173 -3.800 1.00 0.00 H new ATOM 384 N LYS A 27 -10.385 -2.485 -2.388 1.00 0.00 N ATOM 385 CA LYS A 27 -11.356 -3.341 -1.733 1.00 0.00 C ATOM 386 C LYS A 27 -10.909 -3.695 -0.314 1.00 0.00 C ATOM 387 O LYS A 27 -11.731 -4.172 0.467 1.00 0.00 O ATOM 388 CB LYS A 27 -11.583 -4.603 -2.567 1.00 0.00 C ATOM 389 CG LYS A 27 -12.682 -4.395 -3.614 1.00 0.00 C ATOM 390 CD LYS A 27 -14.087 -4.488 -2.996 1.00 0.00 C ATOM 391 CE LYS A 27 -15.149 -4.686 -4.088 1.00 0.00 C ATOM 392 NZ LYS A 27 -16.517 -4.713 -3.531 1.00 0.00 N ATOM 0 H LYS A 27 -9.689 -2.991 -2.936 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.299 -2.800 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.654 -4.884 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.856 -5.430 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.556 -3.420 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.581 -5.143 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.125 -5.318 -2.290 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.303 -3.580 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.071 -3.882 -4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.955 -5.619 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.203 -4.848 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.600 -5.496 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.713 -3.813 -3.047 1.00 0.00 H new ATOM 406 N LEU A 28 -9.624 -3.533 0.021 1.00 0.00 N ATOM 407 CA LEU A 28 -9.101 -4.006 1.278 1.00 0.00 C ATOM 408 C LEU A 28 -9.750 -3.267 2.439 1.00 0.00 C ATOM 409 O LEU A 28 -9.898 -2.044 2.435 1.00 0.00 O ATOM 410 CB LEU A 28 -7.587 -3.826 1.349 1.00 0.00 C ATOM 411 CG LEU A 28 -6.714 -4.681 0.420 1.00 0.00 C ATOM 412 CD1 LEU A 28 -5.895 -5.626 1.284 1.00 0.00 C ATOM 413 CD2 LEU A 28 -7.473 -5.547 -0.583 1.00 0.00 C ATOM 0 H LEU A 28 -8.935 -3.073 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.332 -5.069 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.366 -2.779 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.275 -4.023 2.375 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.123 -3.972 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.264 -6.247 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.268 -5.048 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.565 -6.263 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.763 -6.109 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.122 -6.240 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.077 -4.910 -1.229 1.00 0.00 H new ATOM 425 N GLN A 29 -10.117 -4.035 3.458 1.00 0.00 N ATOM 426 CA GLN A 29 -10.834 -3.496 4.592 1.00 0.00 C ATOM 427 C GLN A 29 -9.896 -2.572 5.369 1.00 0.00 C ATOM 428 O GLN A 29 -8.844 -3.009 5.829 1.00 0.00 O ATOM 429 CB GLN A 29 -11.387 -4.647 5.447 1.00 0.00 C ATOM 430 CG GLN A 29 -12.670 -4.224 6.174 1.00 0.00 C ATOM 431 CD GLN A 29 -13.832 -3.982 5.215 1.00 0.00 C ATOM 432 OE1 GLN A 29 -14.329 -2.866 5.106 1.00 0.00 O ATOM 433 NE2 GLN A 29 -14.266 -5.014 4.499 1.00 0.00 N ATOM 0 H GLN A 29 -9.926 -5.035 3.516 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.691 -2.904 4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.591 -5.510 4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.637 -4.957 6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.949 -4.996 6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.478 -3.315 6.744 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.833 -5.931 4.611 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.032 -4.889 3.837 1.00 0.00 H new ATOM 442 N GLY A 30 -10.259 -1.293 5.491 1.00 0.00 N ATOM 443 CA GLY A 30 -9.472 -0.300 6.205 1.00 0.00 C ATOM 444 C GLY A 30 -8.867 0.749 5.286 1.00 0.00 C ATOM 445 O GLY A 30 -8.505 1.820 5.767 1.00 0.00 O ATOM 0 H GLY A 30 -11.119 -0.919 5.090 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.103 0.193 6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.673 -0.801 6.751 1.00 0.00 H new ATOM 449 N VAL A 31 -8.744 0.468 3.987 1.00 0.00 N ATOM 450 CA VAL A 31 -8.124 1.390 3.062 1.00 0.00 C ATOM 451 C VAL A 31 -9.116 2.492 2.697 1.00 0.00 C ATOM 452 O VAL A 31 -10.285 2.224 2.428 1.00 0.00 O ATOM 453 CB VAL A 31 -7.662 0.580 1.839 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.520 1.429 0.576 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.330 -0.107 2.145 1.00 0.00 C ATOM 0 H VAL A 31 -9.071 -0.399 3.560 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.257 1.883 3.501 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.437 -0.160 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.191 0.799 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.482 1.878 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.785 2.216 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.008 -0.679 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.579 0.646 2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.453 -0.778 2.995 1.00 0.00 H new ATOM 465 N GLN A 32 -8.622 3.730 2.673 1.00 0.00 N ATOM 466 CA GLN A 32 -9.350 4.909 2.246 1.00 0.00 C ATOM 467 C GLN A 32 -8.949 5.289 0.819 1.00 0.00 C ATOM 468 O GLN A 32 -9.819 5.545 -0.009 1.00 0.00 O ATOM 469 CB GLN A 32 -9.115 6.045 3.244 1.00 0.00 C ATOM 470 CG GLN A 32 -10.348 6.361 4.085 1.00 0.00 C ATOM 471 CD GLN A 32 -11.427 7.064 3.267 1.00 0.00 C ATOM 472 OE1 GLN A 32 -11.175 8.100 2.657 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.633 6.508 3.218 1.00 0.00 N ATOM 0 H GLN A 32 -7.667 3.939 2.963 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.420 4.702 2.230 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.290 5.777 3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.812 6.941 2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.751 5.437 4.501 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.062 6.991 4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.819 5.647 3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.373 6.942 2.665 1.00 0.00 H new ATOM 482 N ARG A 33 -7.643 5.341 0.515 1.00 0.00 N ATOM 483 CA ARG A 33 -7.155 5.732 -0.807 1.00 0.00 C ATOM 484 C ARG A 33 -5.793 5.081 -1.063 1.00 0.00 C ATOM 485 O ARG A 33 -5.117 4.692 -0.111 1.00 0.00 O ATOM 486 CB ARG A 33 -7.045 7.268 -0.888 1.00 0.00 C ATOM 487 CG ARG A 33 -7.609 7.858 -2.189 1.00 0.00 C ATOM 488 CD ARG A 33 -9.134 8.032 -2.096 1.00 0.00 C ATOM 489 NE ARG A 33 -9.708 8.614 -3.322 1.00 0.00 N ATOM 490 CZ ARG A 33 -9.673 9.912 -3.669 1.00 0.00 C ATOM 491 NH1 ARG A 33 -9.030 10.792 -2.893 1.00 0.00 N ATOM 492 NH2 ARG A 33 -10.274 10.322 -4.791 1.00 0.00 N ATOM 0 H ARG A 33 -6.902 5.113 1.178 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.855 5.393 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.573 7.707 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.998 7.554 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.140 8.822 -2.389 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.364 7.204 -3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.597 7.064 -1.906 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.373 8.672 -1.247 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.174 7.974 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.568 10.477 -2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.002 11.778 -3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.760 9.649 -5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.247 11.307 -5.053 1.00 0.00 H new ATOM 506 N ILE A 34 -5.385 5.005 -2.337 1.00 0.00 N ATOM 507 CA ILE A 34 -4.100 4.480 -2.785 1.00 0.00 C ATOM 508 C ILE A 34 -3.548 5.378 -3.899 1.00 0.00 C ATOM 509 O ILE A 34 -4.333 5.931 -4.667 1.00 0.00 O ATOM 510 CB ILE A 34 -4.249 3.009 -3.230 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.909 2.483 -3.775 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.353 2.810 -4.291 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.734 0.981 -3.545 1.00 0.00 C ATOM 0 H ILE A 34 -5.969 5.322 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.383 4.488 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.545 2.443 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.846 2.694 -4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.090 3.019 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.410 1.756 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.311 3.132 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.118 3.402 -5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.773 0.661 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.768 0.770 -2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.536 0.440 -4.047 1.00 0.00 H new ATOM 525 N LYS A 35 -2.221 5.546 -3.945 1.00 0.00 N ATOM 526 CA LYS A 35 -1.450 6.206 -4.995 1.00 0.00 C ATOM 527 C LYS A 35 -0.184 5.367 -5.239 1.00 0.00 C ATOM 528 O LYS A 35 0.711 5.386 -4.395 1.00 0.00 O ATOM 529 CB LYS A 35 -1.062 7.624 -4.522 1.00 0.00 C ATOM 530 CG LYS A 35 -1.721 8.771 -5.296 1.00 0.00 C ATOM 531 CD LYS A 35 -3.248 8.780 -5.146 1.00 0.00 C ATOM 532 CE LYS A 35 -3.875 10.106 -5.600 1.00 0.00 C ATOM 533 NZ LYS A 35 -3.520 11.235 -4.715 1.00 0.00 N ATOM 0 H LYS A 35 -1.621 5.199 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.029 6.290 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.321 7.722 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.020 7.731 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.319 9.721 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.463 8.688 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.672 7.963 -5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.509 8.596 -4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.549 10.329 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.959 10.000 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.155 12.037 -4.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.618 10.942 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.537 11.522 -4.895 1.00 0.00 H new ATOM 547 N VAL A 36 -0.089 4.635 -6.353 1.00 0.00 N ATOM 548 CA VAL A 36 1.094 3.855 -6.724 1.00 0.00 C ATOM 549 C VAL A 36 1.904 4.593 -7.796 1.00 0.00 C ATOM 550 O VAL A 36 1.603 4.502 -8.985 1.00 0.00 O ATOM 551 CB VAL A 36 0.685 2.443 -7.187 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.902 1.636 -7.663 1.00 0.00 C ATOM 553 CG2 VAL A 36 0.038 1.660 -6.039 1.00 0.00 C ATOM 0 H VAL A 36 -0.846 4.567 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 36 1.733 3.740 -5.848 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.020 2.576 -8.007 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.579 0.645 -7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.375 2.151 -8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.616 1.539 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.243 0.667 -6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.747 1.568 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.851 2.188 -5.694 1.00 0.00 H new ATOM 563 N SER A 37 2.969 5.290 -7.395 1.00 0.00 N ATOM 564 CA SER A 37 3.863 5.984 -8.281 1.00 0.00 C ATOM 565 C SER A 37 4.973 5.036 -8.736 1.00 0.00 C ATOM 566 O SER A 37 6.070 5.063 -8.178 1.00 0.00 O ATOM 567 CB SER A 37 4.413 7.151 -7.479 1.00 0.00 C ATOM 568 OG SER A 37 3.406 8.121 -7.262 1.00 0.00 O ATOM 0 H SER A 37 3.228 5.381 -6.413 1.00 0.00 H new ATOM 0 HA SER A 37 3.366 6.341 -9.183 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.795 6.795 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.252 7.601 -8.010 1.00 0.00 H new ATOM 0 HG SER A 37 3.775 8.865 -6.743 1.00 0.00 H new ATOM 574 N LEU A 38 4.697 4.208 -9.750 1.00 0.00 N ATOM 575 CA LEU A 38 5.650 3.244 -10.286 1.00 0.00 C ATOM 576 C LEU A 38 6.998 3.902 -10.589 1.00 0.00 C ATOM 577 O LEU A 38 8.036 3.370 -10.202 1.00 0.00 O ATOM 578 CB LEU A 38 5.033 2.561 -11.516 1.00 0.00 C ATOM 579 CG LEU A 38 5.354 1.069 -11.660 1.00 0.00 C ATOM 580 CD1 LEU A 38 6.776 0.821 -12.161 1.00 0.00 C ATOM 581 CD2 LEU A 38 5.092 0.237 -10.398 1.00 0.00 C ATOM 0 H LEU A 38 3.794 4.193 -10.223 1.00 0.00 H new ATOM 0 HA LEU A 38 5.857 2.478 -9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.950 2.682 -11.475 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.377 3.079 -12.411 1.00 0.00 H new ATOM 0 HG LEU A 38 4.648 0.724 -12.415 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.950 -0.252 -12.245 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.904 1.287 -13.138 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.490 1.251 -11.458 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.346 -0.805 -10.590 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.704 0.615 -9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.039 0.309 -10.127 1.00 0.00 H new ATOM 593 N ASP A 39 6.976 5.090 -11.198 1.00 0.00 N ATOM 594 CA ASP A 39 8.122 5.972 -11.398 1.00 0.00 C ATOM 595 C ASP A 39 9.027 5.985 -10.174 1.00 0.00 C ATOM 596 O ASP A 39 10.240 5.802 -10.268 1.00 0.00 O ATOM 597 CB ASP A 39 7.638 7.417 -11.597 1.00 0.00 C ATOM 598 CG ASP A 39 6.543 7.545 -12.647 1.00 0.00 C ATOM 599 OD1 ASP A 39 5.489 6.903 -12.422 1.00 0.00 O ATOM 600 OD2 ASP A 39 6.774 8.267 -13.638 1.00 0.00 O ATOM 0 H ASP A 39 6.115 5.479 -11.583 1.00 0.00 H new ATOM 0 HA ASP A 39 8.664 5.602 -12.268 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.268 7.803 -10.647 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.484 8.040 -11.887 1.00 0.00 H new ATOM 605 N ASN A 40 8.408 6.248 -9.020 1.00 0.00 N ATOM 606 CA ASN A 40 9.118 6.469 -7.778 1.00 0.00 C ATOM 607 C ASN A 40 9.481 5.139 -7.113 1.00 0.00 C ATOM 608 O ASN A 40 10.196 5.128 -6.116 1.00 0.00 O ATOM 609 CB ASN A 40 8.277 7.325 -6.820 1.00 0.00 C ATOM 610 CG ASN A 40 9.140 8.095 -5.820 1.00 0.00 C ATOM 611 OD1 ASN A 40 10.245 8.526 -6.128 1.00 0.00 O ATOM 612 ND2 ASN A 40 8.626 8.329 -4.616 1.00 0.00 N ATOM 0 H ASN A 40 7.394 6.312 -8.931 1.00 0.00 H new ATOM 0 HA ASN A 40 10.040 7.003 -8.009 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.677 8.029 -7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.582 6.684 -6.278 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.153 8.874 -3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.705 7.963 -4.375 1.00 0.00 H new ATOM 619 N GLN A 41 8.944 4.022 -7.630 1.00 0.00 N ATOM 620 CA GLN A 41 9.126 2.659 -7.127 1.00 0.00 C ATOM 621 C GLN A 41 8.538 2.502 -5.726 1.00 0.00 C ATOM 622 O GLN A 41 8.877 1.587 -4.970 1.00 0.00 O ATOM 623 CB GLN A 41 10.598 2.246 -7.228 1.00 0.00 C ATOM 624 CG GLN A 41 11.105 2.696 -8.596 1.00 0.00 C ATOM 625 CD GLN A 41 12.479 2.151 -8.962 1.00 0.00 C ATOM 626 OE1 GLN A 41 13.131 1.475 -8.174 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.939 2.458 -10.172 1.00 0.00 N ATOM 0 H GLN A 41 8.341 4.051 -8.452 1.00 0.00 H new ATOM 0 HA GLN A 41 8.566 1.967 -7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.182 2.707 -6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.703 1.167 -7.116 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.389 2.385 -9.357 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.141 3.785 -8.618 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.372 3.022 -10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.858 2.129 -10.467 1.00 0.00 H new ATOM 636 N GLU A 42 7.634 3.424 -5.407 1.00 0.00 N ATOM 637 CA GLU A 42 7.090 3.637 -4.081 1.00 0.00 C ATOM 638 C GLU A 42 5.618 4.034 -4.195 1.00 0.00 C ATOM 639 O GLU A 42 5.242 4.763 -5.115 1.00 0.00 O ATOM 640 CB GLU A 42 7.949 4.688 -3.342 1.00 0.00 C ATOM 641 CG GLU A 42 8.392 4.133 -1.982 1.00 0.00 C ATOM 642 CD GLU A 42 9.530 4.897 -1.331 1.00 0.00 C ATOM 643 OE1 GLU A 42 9.239 5.885 -0.623 1.00 0.00 O ATOM 644 OE2 GLU A 42 10.679 4.418 -1.441 1.00 0.00 O ATOM 0 H GLU A 42 7.248 4.067 -6.099 1.00 0.00 H new ATOM 0 HA GLU A 42 7.126 2.722 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.822 4.945 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.377 5.605 -3.202 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.536 4.135 -1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.695 3.094 -2.109 1.00 0.00 H new ATOM 651 N ALA A 43 4.791 3.538 -3.273 1.00 0.00 N ATOM 652 CA ALA A 43 3.355 3.785 -3.252 1.00 0.00 C ATOM 653 C ALA A 43 2.959 4.370 -1.899 1.00 0.00 C ATOM 654 O ALA A 43 3.625 4.101 -0.897 1.00 0.00 O ATOM 655 CB ALA A 43 2.604 2.489 -3.556 1.00 0.00 C ATOM 0 H ALA A 43 5.110 2.943 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 43 3.087 4.509 -4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.531 2.678 -3.539 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.893 2.124 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.852 1.740 -2.804 1.00 0.00 H new ATOM 661 N THR A 44 1.889 5.167 -1.876 1.00 0.00 N ATOM 662 CA THR A 44 1.382 5.909 -0.750 1.00 0.00 C ATOM 663 C THR A 44 -0.068 5.480 -0.595 1.00 0.00 C ATOM 664 O THR A 44 -0.847 5.635 -1.537 1.00 0.00 O ATOM 665 CB THR A 44 1.474 7.402 -1.085 1.00 0.00 C ATOM 666 OG1 THR A 44 2.815 7.784 -1.314 1.00 0.00 O ATOM 667 CG2 THR A 44 0.909 8.234 0.060 1.00 0.00 C ATOM 0 H THR A 44 1.322 5.312 -2.711 1.00 0.00 H new ATOM 0 HA THR A 44 1.937 5.728 0.170 1.00 0.00 H new ATOM 0 HB THR A 44 0.893 7.579 -1.990 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.851 8.740 -1.528 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.980 9.293 -0.190 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.136 7.969 0.222 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.478 8.037 0.968 1.00 0.00 H new ATOM 675 N ILE A 45 -0.422 4.907 0.554 1.00 0.00 N ATOM 676 CA ILE A 45 -1.770 4.447 0.837 1.00 0.00 C ATOM 677 C ILE A 45 -2.239 5.104 2.131 1.00 0.00 C ATOM 678 O ILE A 45 -1.411 5.595 2.898 1.00 0.00 O ATOM 679 CB ILE A 45 -1.781 2.919 0.898 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.348 2.394 -0.473 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.162 2.358 1.262 1.00 0.00 C ATOM 682 CD1 ILE A 45 -0.864 0.961 -0.372 1.00 0.00 C ATOM 0 H ILE A 45 0.232 4.750 1.321 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.467 4.733 0.049 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.097 2.593 1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.184 2.452 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.554 3.023 -0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.116 1.269 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.462 2.736 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.890 2.670 0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.561 0.609 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.013 0.911 0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.669 0.331 0.007 1.00 0.00 H new ATOM 694 N VAL A 46 -3.551 5.130 2.372 1.00 0.00 N ATOM 695 CA VAL A 46 -4.137 5.704 3.569 1.00 0.00 C ATOM 696 C VAL A 46 -5.091 4.668 4.174 1.00 0.00 C ATOM 697 O VAL A 46 -5.956 4.155 3.464 1.00 0.00 O ATOM 698 CB VAL A 46 -4.698 7.100 3.270 1.00 0.00 C ATOM 699 CG1 VAL A 46 -5.877 7.034 2.342 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.052 7.904 4.522 1.00 0.00 C ATOM 0 H VAL A 46 -4.241 4.745 1.727 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.406 5.906 4.352 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.886 7.634 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.248 8.041 2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.574 6.576 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.666 6.437 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.442 8.879 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.807 7.368 5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.159 8.038 5.133 1.00 0.00 H new ATOM 710 N TYR A 47 -4.887 4.304 5.444 1.00 0.00 N ATOM 711 CA TYR A 47 -5.706 3.330 6.170 1.00 0.00 C ATOM 712 C TYR A 47 -5.586 3.591 7.673 1.00 0.00 C ATOM 713 O TYR A 47 -4.736 4.390 8.062 1.00 0.00 O ATOM 714 CB TYR A 47 -5.256 1.889 5.833 1.00 0.00 C ATOM 715 CG TYR A 47 -3.872 1.480 6.328 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.623 1.336 7.706 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.846 1.145 5.423 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.318 1.172 8.177 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.584 0.753 5.909 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.290 0.865 7.279 1.00 0.00 C ATOM 721 OH TYR A 47 -0.017 0.705 7.737 1.00 0.00 O ATOM 0 H TYR A 47 -4.129 4.688 6.009 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.748 3.438 5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.987 1.196 6.250 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.282 1.767 4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.447 1.352 8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.027 1.189 4.359 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.104 1.282 9.230 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.841 0.366 5.228 1.00 0.00 H new ATOM 0 HH TYR A 47 0.213 -0.248 7.738 1.00 0.00 H new ATOM 731 N GLN A 48 -6.366 2.900 8.522 1.00 0.00 N ATOM 732 CA GLN A 48 -6.209 2.919 9.972 1.00 0.00 C ATOM 733 C GLN A 48 -6.007 1.522 10.594 1.00 0.00 C ATOM 734 O GLN A 48 -6.603 0.548 10.123 1.00 0.00 O ATOM 735 CB GLN A 48 -7.400 3.691 10.559 1.00 0.00 C ATOM 736 CG GLN A 48 -8.110 2.989 11.712 1.00 0.00 C ATOM 737 CD GLN A 48 -9.110 3.888 12.433 1.00 0.00 C ATOM 738 OE1 GLN A 48 -9.521 4.921 11.918 1.00 0.00 O ATOM 739 NE2 GLN A 48 -9.501 3.512 13.647 1.00 0.00 N ATOM 0 H GLN A 48 -7.133 2.306 8.207 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.282 3.432 10.229 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.050 4.664 10.904 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.123 3.876 9.764 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.630 2.110 11.330 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.367 2.635 12.427 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.144 2.647 14.053 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.158 4.088 14.172 1.00 0.00 H new ATOM 748 N PRO A 49 -5.218 1.428 11.686 1.00 0.00 N ATOM 749 CA PRO A 49 -4.968 0.197 12.428 1.00 0.00 C ATOM 750 C PRO A 49 -6.217 -0.215 13.211 1.00 0.00 C ATOM 751 O PRO A 49 -6.306 -0.037 14.424 1.00 0.00 O ATOM 752 CB PRO A 49 -3.809 0.525 13.373 1.00 0.00 C ATOM 753 CG PRO A 49 -4.065 1.993 13.697 1.00 0.00 C ATOM 754 CD PRO A 49 -4.526 2.534 12.342 1.00 0.00 C ATOM 0 HA PRO A 49 -4.724 -0.638 11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.824 -0.098 14.267 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.840 0.376 12.896 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.827 2.115 14.467 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.166 2.496 14.054 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.189 3.390 12.468 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.678 2.872 11.747 1.00 0.00 H new ATOM 762 N HIS A 50 -7.197 -0.761 12.504 1.00 0.00 N ATOM 763 CA HIS A 50 -8.409 -1.310 13.095 1.00 0.00 C ATOM 764 C HIS A 50 -8.919 -2.405 12.175 1.00 0.00 C ATOM 765 O HIS A 50 -9.131 -3.539 12.597 1.00 0.00 O ATOM 766 CB HIS A 50 -9.441 -0.187 13.279 1.00 0.00 C ATOM 767 CG HIS A 50 -10.840 -0.645 13.615 1.00 0.00 C ATOM 768 ND1 HIS A 50 -12.000 -0.087 13.125 1.00 0.00 N ATOM 769 CD2 HIS A 50 -11.195 -1.687 14.432 1.00 0.00 C ATOM 770 CE1 HIS A 50 -13.030 -0.784 13.633 1.00 0.00 C ATOM 771 NE2 HIS A 50 -12.591 -1.766 14.436 1.00 0.00 N ATOM 0 H HIS A 50 -7.171 -0.836 11.487 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.216 -1.737 14.079 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -9.094 0.477 14.071 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.480 0.402 12.363 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.519 -2.331 14.975 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.070 -0.582 13.424 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.163 -2.437 14.948 1.00 0.00 H new ATOM 779 N LEU A 51 -9.116 -2.045 10.907 1.00 0.00 N ATOM 780 CA LEU A 51 -9.653 -2.950 9.911 1.00 0.00 C ATOM 781 C LEU A 51 -8.528 -3.727 9.225 1.00 0.00 C ATOM 782 O LEU A 51 -8.786 -4.802 8.691 1.00 0.00 O ATOM 783 CB LEU A 51 -10.499 -2.155 8.917 1.00 0.00 C ATOM 784 CG LEU A 51 -11.769 -1.584 9.570 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.315 -0.414 8.746 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.873 -2.630 9.766 1.00 0.00 C ATOM 0 H LEU A 51 -8.905 -1.114 10.548 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.295 -3.690 10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.904 -1.339 8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.778 -2.798 8.082 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.471 -1.240 10.561 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.214 -0.022 9.222 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.562 0.372 8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.558 -0.759 7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.740 -2.161 10.231 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.159 -3.043 8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.506 -3.431 10.408 1.00 0.00 H new ATOM 798 N ILE A 52 -7.292 -3.204 9.246 1.00 0.00 N ATOM 799 CA ILE A 52 -6.130 -3.860 8.682 1.00 0.00 C ATOM 800 C ILE A 52 -5.080 -4.059 9.768 1.00 0.00 C ATOM 801 O ILE A 52 -4.957 -3.227 10.665 1.00 0.00 O ATOM 802 CB ILE A 52 -5.642 -3.057 7.474 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.718 -3.854 6.550 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.941 -1.783 7.913 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.410 -5.107 6.021 1.00 0.00 C ATOM 0 H ILE A 52 -7.082 -2.298 9.665 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.372 -4.857 8.314 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.538 -2.809 6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.407 -3.227 5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.814 -4.136 7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.604 -1.232 7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.633 -1.166 8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.082 -2.036 8.534 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.728 -5.651 5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.698 -5.744 6.857 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.300 -4.822 5.459 1.00 0.00 H new ATOM 817 N SER A 53 -4.271 -5.119 9.665 1.00 0.00 N ATOM 818 CA SER A 53 -3.282 -5.477 10.674 1.00 0.00 C ATOM 819 C SER A 53 -1.971 -4.726 10.483 1.00 0.00 C ATOM 820 O SER A 53 -0.904 -5.252 10.787 1.00 0.00 O ATOM 821 CB SER A 53 -3.068 -6.979 10.668 1.00 0.00 C ATOM 822 OG SER A 53 -4.300 -7.631 10.894 1.00 0.00 O ATOM 0 H SER A 53 -4.289 -5.756 8.868 1.00 0.00 H new ATOM 0 HA SER A 53 -3.666 -5.179 11.650 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.648 -7.293 9.713 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.350 -7.258 11.439 1.00 0.00 H new ATOM 0 HG SER A 53 -4.162 -8.601 10.888 1.00 0.00 H new ATOM 828 N VAL A 54 -2.076 -3.512 9.943 1.00 0.00 N ATOM 829 CA VAL A 54 -1.029 -2.551 9.649 1.00 0.00 C ATOM 830 C VAL A 54 -0.230 -3.055 8.460 1.00 0.00 C ATOM 831 O VAL A 54 -0.209 -2.465 7.383 1.00 0.00 O ATOM 832 CB VAL A 54 -0.219 -2.239 10.930 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.297 -2.421 10.833 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.487 -0.797 11.332 1.00 0.00 C ATOM 0 H VAL A 54 -2.990 -3.147 9.676 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.430 -1.583 9.347 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.559 -2.972 11.662 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.755 -2.173 11.790 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.524 -3.457 10.580 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.694 -1.763 10.060 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.077 -0.560 12.234 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.178 -0.131 10.526 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.552 -0.665 11.524 1.00 0.00 H new ATOM 844 N GLU A 55 0.396 -4.200 8.671 1.00 0.00 N ATOM 845 CA GLU A 55 1.343 -4.784 7.772 1.00 0.00 C ATOM 846 C GLU A 55 0.641 -5.603 6.697 1.00 0.00 C ATOM 847 O GLU A 55 1.147 -5.699 5.574 1.00 0.00 O ATOM 848 CB GLU A 55 2.341 -5.604 8.581 1.00 0.00 C ATOM 849 CG GLU A 55 3.572 -5.694 7.680 1.00 0.00 C ATOM 850 CD GLU A 55 4.838 -6.317 8.221 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.917 -6.608 9.428 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.707 -6.480 7.334 1.00 0.00 O ATOM 0 H GLU A 55 0.244 -4.760 9.510 1.00 0.00 H new ATOM 0 HA GLU A 55 1.890 -4.004 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.576 -5.121 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.946 -6.593 8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.286 -6.253 6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.817 -4.682 7.357 1.00 0.00 H new ATOM 859 N GLU A 56 -0.513 -6.190 7.049 1.00 0.00 N ATOM 860 CA GLU A 56 -1.290 -7.016 6.136 1.00 0.00 C ATOM 861 C GLU A 56 -1.383 -6.368 4.759 1.00 0.00 C ATOM 862 O GLU A 56 -1.088 -7.001 3.750 1.00 0.00 O ATOM 863 CB GLU A 56 -2.713 -7.203 6.664 1.00 0.00 C ATOM 864 CG GLU A 56 -3.054 -8.666 6.941 1.00 0.00 C ATOM 865 CD GLU A 56 -4.529 -8.890 6.660 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.855 -8.905 5.452 1.00 0.00 O ATOM 867 OE2 GLU A 56 -5.287 -8.974 7.648 1.00 0.00 O ATOM 0 H GLU A 56 -0.927 -6.100 7.977 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.784 -7.978 6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.834 -6.627 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.421 -6.801 5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.448 -9.319 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.826 -8.916 7.977 1.00 0.00 H new ATOM 874 N MET A 57 -1.801 -5.098 4.757 1.00 0.00 N ATOM 875 CA MET A 57 -1.968 -4.278 3.573 1.00 0.00 C ATOM 876 C MET A 57 -0.816 -4.553 2.604 1.00 0.00 C ATOM 877 O MET A 57 -1.014 -5.038 1.494 1.00 0.00 O ATOM 878 CB MET A 57 -2.055 -2.797 4.011 1.00 0.00 C ATOM 879 CG MET A 57 -3.315 -2.095 3.488 1.00 0.00 C ATOM 880 SD MET A 57 -3.164 -1.197 1.933 1.00 0.00 S ATOM 881 CE MET A 57 -2.333 -2.381 0.872 1.00 0.00 C ATOM 0 H MET A 57 -2.039 -4.603 5.617 1.00 0.00 H new ATOM 0 HA MET A 57 -2.890 -4.519 3.043 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.040 -2.743 5.100 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.173 -2.265 3.654 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.097 -2.845 3.372 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.655 -1.396 4.252 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.403 -2.052 -0.165 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.284 -2.454 1.159 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.806 -3.357 0.976 1.00 0.00 H new ATOM 891 N LYS A 58 0.405 -4.279 3.052 1.00 0.00 N ATOM 892 CA LYS A 58 1.598 -4.489 2.258 1.00 0.00 C ATOM 893 C LYS A 58 1.809 -5.976 1.967 1.00 0.00 C ATOM 894 O LYS A 58 2.117 -6.334 0.832 1.00 0.00 O ATOM 895 CB LYS A 58 2.765 -3.800 2.984 1.00 0.00 C ATOM 896 CG LYS A 58 4.111 -3.902 2.255 1.00 0.00 C ATOM 897 CD LYS A 58 4.923 -5.167 2.584 1.00 0.00 C ATOM 898 CE LYS A 58 5.672 -5.175 3.920 1.00 0.00 C ATOM 899 NZ LYS A 58 4.809 -5.430 5.081 1.00 0.00 N ATOM 0 H LYS A 58 0.590 -3.903 3.982 1.00 0.00 H new ATOM 0 HA LYS A 58 1.511 -4.038 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.520 -2.747 3.124 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.869 -4.238 3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.931 -3.871 1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.711 -3.026 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.245 -6.020 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.649 -5.323 1.786 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.452 -5.936 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.170 -4.214 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.327 -6.000 5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.529 -4.525 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.959 -5.945 4.775 1.00 0.00 H new ATOM 913 N LYS A 59 1.657 -6.858 2.961 1.00 0.00 N ATOM 914 CA LYS A 59 1.835 -8.289 2.734 1.00 0.00 C ATOM 915 C LYS A 59 0.965 -8.824 1.596 1.00 0.00 C ATOM 916 O LYS A 59 1.391 -9.729 0.879 1.00 0.00 O ATOM 917 CB LYS A 59 1.608 -9.099 4.009 1.00 0.00 C ATOM 918 CG LYS A 59 2.633 -8.829 5.114 1.00 0.00 C ATOM 919 CD LYS A 59 4.092 -8.883 4.622 1.00 0.00 C ATOM 920 CE LYS A 59 5.054 -9.149 5.788 1.00 0.00 C ATOM 921 NZ LYS A 59 5.160 -10.587 6.107 1.00 0.00 N ATOM 0 H LYS A 59 1.414 -6.606 3.919 1.00 0.00 H new ATOM 0 HA LYS A 59 2.874 -8.413 2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.611 -8.881 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.629 -10.160 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.439 -7.848 5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.499 -9.561 5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.198 -9.667 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.352 -7.941 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.041 -8.760 5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.712 -8.607 6.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.820 -10.719 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.223 -10.954 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.511 -11.102 5.275 1.00 0.00 H new ATOM 935 N GLN A 60 -0.237 -8.276 1.404 1.00 0.00 N ATOM 936 CA GLN A 60 -1.123 -8.702 0.337 1.00 0.00 C ATOM 937 C GLN A 60 -0.417 -8.485 -0.994 1.00 0.00 C ATOM 938 O GLN A 60 -0.362 -9.375 -1.837 1.00 0.00 O ATOM 939 CB GLN A 60 -2.424 -7.904 0.400 1.00 0.00 C ATOM 940 CG GLN A 60 -3.144 -8.081 1.749 1.00 0.00 C ATOM 941 CD GLN A 60 -4.486 -8.817 1.669 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.977 -9.127 0.586 1.00 0.00 O ATOM 943 NE2 GLN A 60 -5.125 -9.110 2.799 1.00 0.00 N ATOM 0 H GLN A 60 -0.615 -7.528 1.985 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.369 -9.759 0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.209 -6.847 0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.084 -8.222 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.487 -8.625 2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.311 -7.097 2.188 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.717 -8.852 3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.023 -9.592 2.767 1.00 0.00 H new ATOM 952 N ILE A 61 0.162 -7.297 -1.149 1.00 0.00 N ATOM 953 CA ILE A 61 0.984 -6.975 -2.311 1.00 0.00 C ATOM 954 C ILE A 61 2.131 -7.978 -2.464 1.00 0.00 C ATOM 955 O ILE A 61 2.310 -8.515 -3.554 1.00 0.00 O ATOM 956 CB ILE A 61 1.453 -5.513 -2.307 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.294 -4.567 -2.667 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.549 -5.257 -3.349 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.461 -4.138 -1.422 1.00 0.00 C ATOM 0 H ILE A 61 0.075 -6.535 -0.477 1.00 0.00 H new ATOM 0 HA ILE A 61 0.360 -7.072 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 61 1.831 -5.326 -1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.683 -3.689 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.387 -5.066 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.850 -4.210 -3.311 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.410 -5.890 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.167 -5.488 -4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.275 -3.470 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.868 -5.017 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.218 -3.619 -0.746 1.00 0.00 H new ATOM 971 N GLU A 62 2.882 -8.262 -1.396 1.00 0.00 N ATOM 972 CA GLU A 62 3.995 -9.211 -1.467 1.00 0.00 C ATOM 973 C GLU A 62 3.488 -10.532 -2.046 1.00 0.00 C ATOM 974 O GLU A 62 4.052 -11.094 -2.983 1.00 0.00 O ATOM 975 CB GLU A 62 4.609 -9.424 -0.085 1.00 0.00 C ATOM 976 CG GLU A 62 5.007 -8.059 0.468 1.00 0.00 C ATOM 977 CD GLU A 62 6.254 -8.147 1.316 1.00 0.00 C ATOM 978 OE1 GLU A 62 7.312 -8.311 0.677 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.122 -8.035 2.555 1.00 0.00 O ATOM 0 H GLU A 62 2.739 -7.849 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 62 4.774 -8.810 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.894 -9.911 0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.479 -10.077 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.175 -7.366 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.189 -7.654 1.063 1.00 0.00 H new ATOM 986 N ALA A 63 2.366 -10.988 -1.485 1.00 0.00 N ATOM 987 CA ALA A 63 1.684 -12.214 -1.851 1.00 0.00 C ATOM 988 C ALA A 63 1.202 -12.236 -3.308 1.00 0.00 C ATOM 989 O ALA A 63 0.983 -13.321 -3.843 1.00 0.00 O ATOM 990 CB ALA A 63 0.531 -12.435 -0.870 1.00 0.00 C ATOM 0 H ALA A 63 1.895 -10.486 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 63 2.398 -13.035 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.004 -13.354 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.925 -12.516 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.160 -11.593 -0.925 1.00 0.00 H new ATOM 996 N MET A 64 1.057 -11.083 -3.977 1.00 0.00 N ATOM 997 CA MET A 64 0.791 -11.059 -5.414 1.00 0.00 C ATOM 998 C MET A 64 1.962 -11.694 -6.173 1.00 0.00 C ATOM 999 O MET A 64 1.766 -12.251 -7.249 1.00 0.00 O ATOM 1000 CB MET A 64 0.552 -9.627 -5.921 1.00 0.00 C ATOM 1001 CG MET A 64 -0.624 -8.919 -5.236 1.00 0.00 C ATOM 1002 SD MET A 64 -2.293 -9.444 -5.706 1.00 0.00 S ATOM 1003 CE MET A 64 -2.471 -8.564 -7.273 1.00 0.00 C ATOM 0 H MET A 64 1.120 -10.161 -3.544 1.00 0.00 H new ATOM 0 HA MET A 64 -0.117 -11.634 -5.596 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.458 -9.040 -5.767 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.371 -9.657 -6.995 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.518 -9.053 -4.159 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.537 -7.851 -5.434 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.450 -8.778 -7.701 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.377 -7.492 -7.101 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.694 -8.890 -7.964 1.00 0.00 H new ATOM 1013 N GLY A 65 3.179 -11.591 -5.621 1.00 0.00 N ATOM 1014 CA GLY A 65 4.383 -12.188 -6.183 1.00 0.00 C ATOM 1015 C GLY A 65 5.564 -11.226 -6.095 1.00 0.00 C ATOM 1016 O GLY A 65 6.702 -11.650 -5.908 1.00 0.00 O ATOM 0 H GLY A 65 3.350 -11.079 -4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.619 -13.109 -5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.207 -12.459 -7.224 1.00 0.00 H new ATOM 1020 N PHE A 66 5.299 -9.927 -6.247 1.00 0.00 N ATOM 1021 CA PHE A 66 6.326 -8.898 -6.224 1.00 0.00 C ATOM 1022 C PHE A 66 6.638 -8.568 -4.766 1.00 0.00 C ATOM 1023 O PHE A 66 5.755 -8.024 -4.106 1.00 0.00 O ATOM 1024 CB PHE A 66 5.810 -7.646 -6.942 1.00 0.00 C ATOM 1025 CG PHE A 66 5.594 -7.844 -8.425 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.706 -8.036 -9.264 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.295 -7.922 -8.957 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.522 -8.300 -10.630 1.00 0.00 C ATOM 1029 CE2 PHE A 66 4.110 -8.179 -10.327 1.00 0.00 C ATOM 1030 CZ PHE A 66 5.223 -8.361 -11.165 1.00 0.00 C ATOM 0 H PHE A 66 4.357 -9.563 -6.390 1.00 0.00 H new ATOM 0 HA PHE A 66 7.227 -9.247 -6.729 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.870 -7.337 -6.485 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.520 -6.833 -6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.704 -7.980 -8.856 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.439 -7.784 -8.313 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.378 -8.456 -11.270 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.112 -8.237 -10.735 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.081 -8.548 -12.219 1.00 0.00 H new ATOM 1040 N PRO A 67 7.836 -8.873 -4.239 1.00 0.00 N ATOM 1041 CA PRO A 67 8.152 -8.580 -2.851 1.00 0.00 C ATOM 1042 C PRO A 67 8.050 -7.070 -2.628 1.00 0.00 C ATOM 1043 O PRO A 67 8.486 -6.293 -3.474 1.00 0.00 O ATOM 1044 CB PRO A 67 9.574 -9.108 -2.631 1.00 0.00 C ATOM 1045 CG PRO A 67 10.196 -9.051 -4.027 1.00 0.00 C ATOM 1046 CD PRO A 67 9.012 -9.357 -4.947 1.00 0.00 C ATOM 0 HA PRO A 67 7.468 -9.049 -2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.125 -8.492 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.568 -10.124 -2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.627 -8.072 -4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.996 -9.783 -4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.124 -8.858 -5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.937 -10.426 -5.148 1.00 0.00 H new ATOM 1054 N ALA A 68 7.452 -6.648 -1.513 1.00 0.00 N ATOM 1055 CA ALA A 68 7.313 -5.236 -1.176 1.00 0.00 C ATOM 1056 C ALA A 68 8.004 -4.943 0.160 1.00 0.00 C ATOM 1057 O ALA A 68 8.855 -5.705 0.609 1.00 0.00 O ATOM 1058 CB ALA A 68 5.830 -4.842 -1.226 1.00 0.00 C ATOM 0 H ALA A 68 7.051 -7.279 -0.819 1.00 0.00 H new ATOM 0 HA ALA A 68 7.819 -4.608 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.725 -3.787 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.441 -5.016 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.269 -5.443 -0.510 1.00 0.00 H new ATOM 1064 N PHE A 69 7.685 -3.807 0.782 1.00 0.00 N ATOM 1065 CA PHE A 69 8.278 -3.383 2.047 1.00 0.00 C ATOM 1066 C PHE A 69 7.543 -2.176 2.625 1.00 0.00 C ATOM 1067 O PHE A 69 7.029 -1.354 1.870 1.00 0.00 O ATOM 1068 CB PHE A 69 9.777 -3.080 1.885 1.00 0.00 C ATOM 1069 CG PHE A 69 10.616 -3.604 3.032 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.858 -2.805 4.165 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.090 -4.927 2.997 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.565 -3.332 5.259 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.822 -5.445 4.080 1.00 0.00 C ATOM 1074 CZ PHE A 69 12.054 -4.649 5.214 1.00 0.00 C ATOM 0 H PHE A 69 6.998 -3.148 0.415 1.00 0.00 H new ATOM 0 HA PHE A 69 8.175 -4.209 2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.132 -3.519 0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.917 -2.002 1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.500 -1.786 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.891 -5.547 2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.733 -2.724 6.136 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.205 -6.454 4.040 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.608 -5.049 6.051 1.00 0.00 H new ATOM 1084 N VAL A 70 7.491 -2.060 3.956 1.00 0.00 N ATOM 1085 CA VAL A 70 6.889 -0.948 4.661 1.00 0.00 C ATOM 1086 C VAL A 70 7.972 0.095 4.924 1.00 0.00 C ATOM 1087 O VAL A 70 9.026 -0.253 5.450 1.00 0.00 O ATOM 1088 CB VAL A 70 6.234 -1.398 5.973 1.00 0.00 C ATOM 1089 CG1 VAL A 70 4.730 -1.651 5.805 1.00 0.00 C ATOM 1090 CG2 VAL A 70 6.911 -2.611 6.588 1.00 0.00 C ATOM 0 H VAL A 70 7.882 -2.764 4.582 1.00 0.00 H new ATOM 0 HA VAL A 70 6.097 -0.519 4.048 1.00 0.00 H new ATOM 0 HB VAL A 70 6.367 -0.568 6.667 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.306 -1.968 6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.241 -0.734 5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.573 -2.432 5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.403 -2.881 7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.863 -3.447 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.954 -2.376 6.802 1.00 0.00 H new