USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 585 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 60 TYR OH : rot 130:sc= 0.415 USER MOD Set 1.2: A 70 SER OG : rot 144:sc= 0.474 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0426 (180deg=-0.577) USER MOD Single : A 1 MET N :NH3+ -163:sc= -0.0125 (180deg=-0.353) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.146) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -157:sc= -0.128 (180deg=-0.903) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 39 MET CE :methyl -163:sc= -1.54 (180deg=-1.78) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 176:sc= -0.755 (180deg=-0.835) USER MOD Single : A 49 SER OG : rot -150:sc= -0.394 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.25 K(o=-1.2,f=-3.6!) USER MOD Single : A 71 THR OG1 : rot 48:sc= 0.0777 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot -15:sc= 0.673! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 73.468 -0.106 -11.443 1.00 0.00 N ATOM 2 CA MET A 1 72.223 -0.340 -10.660 1.00 0.00 C ATOM 3 C MET A 1 72.303 -1.701 -9.977 1.00 0.00 C ATOM 4 O MET A 1 72.750 -2.679 -10.575 1.00 0.00 O ATOM 5 CB MET A 1 71.018 -0.302 -11.604 1.00 0.00 C ATOM 6 CG MET A 1 70.861 1.109 -12.175 1.00 0.00 C ATOM 7 SD MET A 1 69.374 1.191 -13.208 1.00 0.00 S ATOM 8 CE MET A 1 69.979 0.210 -14.603 1.00 0.00 C ATOM 0 H1 MET A 1 73.552 0.906 -11.668 1.00 0.00 H new ATOM 0 H2 MET A 1 74.292 -0.405 -10.883 1.00 0.00 H new ATOM 0 H3 MET A 1 73.431 -0.655 -12.326 1.00 0.00 H new ATOM 0 HA MET A 1 72.112 0.436 -9.902 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.153 -1.020 -12.413 1.00 0.00 H new ATOM 0 HB3 MET A 1 70.114 -0.592 -11.069 1.00 0.00 H new ATOM 0 HG2 MET A 1 70.792 1.834 -11.364 1.00 0.00 H new ATOM 0 HG3 MET A 1 71.739 1.373 -12.764 1.00 0.00 H new ATOM 0 HE1 MET A 1 69.388 0.437 -15.491 1.00 0.00 H new ATOM 0 HE2 MET A 1 71.025 0.452 -14.792 1.00 0.00 H new ATOM 0 HE3 MET A 1 69.889 -0.851 -14.368 1.00 0.00 H new ATOM 20 N TYR A 2 71.863 -1.757 -8.721 1.00 0.00 N ATOM 21 CA TYR A 2 71.883 -3.006 -7.952 1.00 0.00 C ATOM 22 C TYR A 2 70.460 -3.495 -7.698 1.00 0.00 C ATOM 23 O TYR A 2 69.545 -2.699 -7.480 1.00 0.00 O ATOM 24 CB TYR A 2 72.602 -2.780 -6.613 1.00 0.00 C ATOM 25 CG TYR A 2 74.109 -2.808 -6.811 1.00 0.00 C ATOM 26 CD1 TYR A 2 74.734 -1.826 -7.591 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.881 -3.811 -6.200 1.00 0.00 C ATOM 28 CE1 TYR A 2 76.125 -1.846 -7.760 1.00 0.00 C ATOM 29 CE2 TYR A 2 76.270 -3.829 -6.370 1.00 0.00 C ATOM 30 CZ TYR A 2 76.891 -2.847 -7.149 1.00 0.00 C ATOM 31 OH TYR A 2 78.260 -2.865 -7.319 1.00 0.00 O ATOM 0 H TYR A 2 71.489 -0.956 -8.213 1.00 0.00 H new ATOM 0 HA TYR A 2 72.417 -3.763 -8.526 1.00 0.00 H new ATOM 0 HB2 TYR A 2 72.302 -1.822 -6.189 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.308 -3.550 -5.900 1.00 0.00 H new ATOM 0 HD1 TYR A 2 74.144 -1.054 -8.062 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.402 -4.569 -5.598 1.00 0.00 H new ATOM 0 HE1 TYR A 2 76.607 -1.089 -8.362 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.862 -4.600 -5.900 1.00 0.00 H new ATOM 0 HH TYR A 2 78.641 -3.623 -6.828 1.00 0.00 H new ATOM 41 N GLU A 3 70.286 -4.816 -7.726 1.00 0.00 N ATOM 42 CA GLU A 3 68.976 -5.422 -7.496 1.00 0.00 C ATOM 43 C GLU A 3 69.123 -6.672 -6.634 1.00 0.00 C ATOM 44 O GLU A 3 69.725 -7.657 -7.061 1.00 0.00 O ATOM 45 CB GLU A 3 68.336 -5.807 -8.832 1.00 0.00 C ATOM 46 CG GLU A 3 68.005 -4.549 -9.639 1.00 0.00 C ATOM 47 CD GLU A 3 67.418 -4.950 -10.989 1.00 0.00 C ATOM 48 OE1 GLU A 3 67.264 -6.139 -11.210 1.00 0.00 O ATOM 49 OE2 GLU A 3 67.130 -4.065 -11.778 1.00 0.00 O ATOM 0 H GLU A 3 71.034 -5.485 -7.905 1.00 0.00 H new ATOM 0 HA GLU A 3 68.343 -4.698 -6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 3 69.015 -6.444 -9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.429 -6.385 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 3 67.295 -3.929 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 3 68.904 -3.951 -9.785 1.00 0.00 H new ATOM 56 N PHE A 4 68.574 -6.630 -5.420 1.00 0.00 N ATOM 57 CA PHE A 4 68.659 -7.778 -4.513 1.00 0.00 C ATOM 58 C PHE A 4 67.484 -8.726 -4.734 1.00 0.00 C ATOM 59 O PHE A 4 66.321 -8.338 -4.613 1.00 0.00 O ATOM 60 CB PHE A 4 68.708 -7.306 -3.040 1.00 0.00 C ATOM 61 CG PHE A 4 68.335 -8.438 -2.086 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.141 -9.586 -1.985 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.162 -8.343 -1.309 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.776 -10.625 -1.121 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.808 -9.383 -0.445 1.00 0.00 C ATOM 66 CZ PHE A 4 67.611 -10.524 -0.355 1.00 0.00 C ATOM 0 H PHE A 4 68.072 -5.826 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 4 69.580 -8.318 -4.731 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.708 -6.943 -2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 4 68.024 -6.469 -2.900 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.042 -9.666 -2.575 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.536 -7.466 -1.382 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.396 -11.506 -1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 4 65.913 -9.305 0.154 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.331 -11.329 0.308 1.00 0.00 H new ATOM 76 N LYS A 5 67.811 -9.977 -5.048 1.00 0.00 N ATOM 77 CA LYS A 5 66.808 -11.014 -5.278 1.00 0.00 C ATOM 78 C LYS A 5 67.043 -12.162 -4.305 1.00 0.00 C ATOM 79 O LYS A 5 68.149 -12.322 -3.787 1.00 0.00 O ATOM 80 CB LYS A 5 66.909 -11.522 -6.721 1.00 0.00 C ATOM 81 CG LYS A 5 65.724 -12.439 -7.033 1.00 0.00 C ATOM 82 CD LYS A 5 65.785 -12.874 -8.499 1.00 0.00 C ATOM 83 CE LYS A 5 64.582 -13.766 -8.816 1.00 0.00 C ATOM 84 NZ LYS A 5 64.599 -14.129 -10.259 1.00 0.00 N ATOM 0 H LYS A 5 68.773 -10.300 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 5 65.812 -10.602 -5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 5 66.920 -10.680 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 5 67.845 -12.062 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.746 -13.313 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 5 64.787 -11.919 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 5 65.784 -11.999 -9.149 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.712 -13.414 -8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.612 -14.667 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 5 63.656 -13.246 -8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 63.936 -14.912 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.315 -13.306 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.558 -14.424 -10.532 1.00 0.00 H new ATOM 98 N LEU A 6 66.009 -12.955 -4.052 1.00 0.00 N ATOM 99 CA LEU A 6 66.146 -14.085 -3.123 1.00 0.00 C ATOM 100 C LEU A 6 67.462 -14.825 -3.422 1.00 0.00 C ATOM 101 O LEU A 6 67.702 -15.190 -4.573 1.00 0.00 O ATOM 102 CB LEU A 6 64.958 -15.054 -3.277 1.00 0.00 C ATOM 103 CG LEU A 6 64.981 -16.117 -2.156 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.316 -15.571 -0.884 1.00 0.00 C ATOM 105 CD2 LEU A 6 64.221 -17.367 -2.615 1.00 0.00 C ATOM 0 H LEU A 6 65.082 -12.846 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 6 66.156 -13.709 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.021 -14.499 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 6 65.002 -15.542 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 6 66.019 -16.368 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.341 -16.333 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.853 -14.686 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.281 -15.306 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 6 64.239 -18.115 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.188 -17.102 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.695 -17.774 -3.508 1.00 0.00 H new ATOM 117 N PRO A 7 68.334 -15.033 -2.451 1.00 0.00 N ATOM 118 CA PRO A 7 69.637 -15.718 -2.714 1.00 0.00 C ATOM 119 C PRO A 7 69.461 -17.193 -3.077 1.00 0.00 C ATOM 120 O PRO A 7 70.429 -17.951 -3.104 1.00 0.00 O ATOM 121 CB PRO A 7 70.426 -15.540 -1.404 1.00 0.00 C ATOM 122 CG PRO A 7 69.389 -15.338 -0.346 1.00 0.00 C ATOM 123 CD PRO A 7 68.201 -14.654 -1.028 1.00 0.00 C ATOM 0 HA PRO A 7 70.153 -15.292 -3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.040 -16.416 -1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.100 -14.685 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 7 69.090 -16.291 0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 7 69.777 -14.723 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 7 67.253 -14.994 -0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 7 68.236 -13.572 -0.899 1.00 0.00 H new ATOM 221 N GLU A 15 59.479 -20.534 -2.716 1.00 0.00 N ATOM 222 CA GLU A 15 58.577 -19.536 -2.149 1.00 0.00 C ATOM 223 C GLU A 15 59.372 -18.520 -1.337 1.00 0.00 C ATOM 224 O GLU A 15 60.458 -18.825 -0.842 1.00 0.00 O ATOM 225 CB GLU A 15 57.533 -20.222 -1.264 1.00 0.00 C ATOM 226 CG GLU A 15 56.548 -19.188 -0.714 1.00 0.00 C ATOM 227 CD GLU A 15 55.476 -19.889 0.113 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.654 -21.061 0.402 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.495 -19.245 0.447 1.00 0.00 O ATOM 0 HA GLU A 15 58.065 -19.015 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.997 -20.977 -1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 15 58.026 -20.740 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.076 -18.459 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.087 -18.639 -1.535 1.00 0.00 H new ATOM 236 N GLY A 16 58.835 -17.303 -1.207 1.00 0.00 N ATOM 237 CA GLY A 16 59.515 -16.244 -0.454 1.00 0.00 C ATOM 238 C GLY A 16 58.613 -15.683 0.642 1.00 0.00 C ATOM 239 O GLY A 16 57.427 -15.446 0.416 1.00 0.00 O ATOM 0 H GLY A 16 57.939 -17.028 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.429 -16.639 -0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 16 59.810 -15.443 -1.132 1.00 0.00 H new ATOM 243 N GLU A 17 59.182 -15.466 1.828 1.00 0.00 N ATOM 244 CA GLU A 17 58.421 -14.926 2.950 1.00 0.00 C ATOM 245 C GLU A 17 59.346 -14.153 3.883 1.00 0.00 C ATOM 246 O GLU A 17 60.433 -14.619 4.225 1.00 0.00 O ATOM 247 CB GLU A 17 57.739 -16.062 3.718 1.00 0.00 C ATOM 248 CG GLU A 17 56.883 -15.480 4.846 1.00 0.00 C ATOM 249 CD GLU A 17 56.137 -16.601 5.560 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.450 -17.751 5.305 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.264 -16.292 6.353 1.00 0.00 O ATOM 0 H GLU A 17 60.163 -15.655 2.034 1.00 0.00 H new ATOM 0 HA GLU A 17 57.658 -14.250 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.117 -16.649 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.489 -16.738 4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.514 -14.943 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 17 56.173 -14.759 4.441 1.00 0.00 H new ATOM 258 N ILE A 18 58.909 -12.960 4.277 1.00 0.00 N ATOM 259 CA ILE A 18 59.702 -12.097 5.161 1.00 0.00 C ATOM 260 C ILE A 18 59.181 -12.134 6.597 1.00 0.00 C ATOM 261 O ILE A 18 58.008 -11.858 6.849 1.00 0.00 O ATOM 262 CB ILE A 18 59.648 -10.662 4.614 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.518 -10.561 3.343 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.131 -9.649 5.659 1.00 0.00 C ATOM 265 CD1 ILE A 18 62.014 -10.422 3.699 1.00 0.00 C ATOM 0 H ILE A 18 58.010 -12.565 4.000 1.00 0.00 H new ATOM 0 HA ILE A 18 60.730 -12.458 5.182 1.00 0.00 H new ATOM 0 HB ILE A 18 58.612 -10.426 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.369 -11.447 2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 18 60.202 -9.703 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.081 -8.643 5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.496 -9.707 6.543 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.160 -9.875 5.937 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.601 -10.353 2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.164 -9.522 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.334 -11.293 4.271 1.00 0.00 H new ATOM 277 N VAL A 19 60.065 -12.473 7.540 1.00 0.00 N ATOM 278 CA VAL A 19 59.681 -12.530 8.948 1.00 0.00 C ATOM 279 C VAL A 19 59.931 -11.192 9.654 1.00 0.00 C ATOM 280 O VAL A 19 59.093 -10.745 10.438 1.00 0.00 O ATOM 281 CB VAL A 19 60.457 -13.637 9.666 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.933 -13.251 9.774 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.884 -13.831 11.071 1.00 0.00 C ATOM 0 H VAL A 19 61.040 -12.709 7.355 1.00 0.00 H new ATOM 0 HA VAL A 19 58.613 -12.746 8.988 1.00 0.00 H new ATOM 0 HB VAL A 19 60.366 -14.563 9.099 1.00 0.00 H new ATOM 0 HG11 VAL A 19 62.480 -14.043 10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 19 62.347 -13.112 8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 19 62.026 -12.323 10.338 1.00 0.00 H new ATOM 0 HG21 VAL A 19 60.436 -14.619 11.583 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.974 -12.901 11.632 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.833 -14.111 11.000 1.00 0.00 H new ATOM 293 N ARG A 20 61.093 -10.565 9.414 1.00 0.00 N ATOM 294 CA ARG A 20 61.404 -9.297 10.090 1.00 0.00 C ATOM 295 C ARG A 20 62.338 -8.394 9.268 1.00 0.00 C ATOM 296 O ARG A 20 63.330 -8.857 8.704 1.00 0.00 O ATOM 297 CB ARG A 20 62.063 -9.623 11.438 1.00 0.00 C ATOM 298 CG ARG A 20 62.307 -8.345 12.248 1.00 0.00 C ATOM 299 CD ARG A 20 62.995 -8.707 13.565 1.00 0.00 C ATOM 300 NE ARG A 20 63.045 -7.541 14.441 1.00 0.00 N ATOM 301 CZ ARG A 20 63.811 -7.526 15.526 1.00 0.00 C ATOM 302 NH1 ARG A 20 64.522 -8.574 15.843 1.00 0.00 N ATOM 303 NH2 ARG A 20 63.854 -6.457 16.274 1.00 0.00 N ATOM 0 H ARG A 20 61.814 -10.903 8.776 1.00 0.00 H new ATOM 0 HA ARG A 20 60.472 -8.747 10.222 1.00 0.00 H new ATOM 0 HB2 ARG A 20 61.426 -10.302 12.005 1.00 0.00 H new ATOM 0 HB3 ARG A 20 63.009 -10.139 11.270 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.927 -7.652 11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.362 -7.839 12.445 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.456 -9.517 14.055 1.00 0.00 H new ATOM 0 HD3 ARG A 20 64.005 -9.069 13.370 1.00 0.00 H new ATOM 0 HE ARG A 20 62.481 -6.722 14.216 1.00 0.00 H new ATOM 0 HH11 ARG A 20 64.490 -9.408 15.257 1.00 0.00 H new ATOM 0 HH12 ARG A 20 65.109 -8.559 16.677 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.301 -5.637 16.024 1.00 0.00 H new ATOM 0 HH22 ARG A 20 64.441 -6.441 17.108 1.00 0.00 H new ATOM 317 N TRP A 21 62.025 -7.090 9.254 1.00 0.00 N ATOM 318 CA TRP A 21 62.847 -6.085 8.556 1.00 0.00 C ATOM 319 C TRP A 21 63.584 -5.242 9.603 1.00 0.00 C ATOM 320 O TRP A 21 62.979 -4.820 10.589 1.00 0.00 O ATOM 321 CB TRP A 21 61.973 -5.101 7.737 1.00 0.00 C ATOM 322 CG TRP A 21 61.474 -5.675 6.444 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.165 -5.869 6.154 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.221 -6.065 5.242 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.060 -6.358 4.867 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.295 -6.501 4.265 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.593 -6.093 4.904 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.708 -6.941 3.003 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.010 -6.536 3.635 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.070 -6.957 2.687 1.00 0.00 C ATOM 0 H TRP A 21 61.204 -6.703 9.720 1.00 0.00 H new ATOM 0 HA TRP A 21 63.526 -6.618 7.890 1.00 0.00 H new ATOM 0 HB2 TRP A 21 61.120 -4.795 8.343 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.553 -4.202 7.526 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.338 -5.673 6.821 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.175 -6.587 4.414 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.328 -5.771 5.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.978 -7.267 2.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.062 -6.551 3.391 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.396 -7.293 1.714 1.00 0.00 H new ATOM 341 N ASP A 22 64.871 -4.959 9.377 1.00 0.00 N ATOM 342 CA ASP A 22 65.642 -4.116 10.309 1.00 0.00 C ATOM 343 C ASP A 22 65.920 -2.743 9.695 1.00 0.00 C ATOM 344 O ASP A 22 66.557 -1.893 10.319 1.00 0.00 O ATOM 345 CB ASP A 22 66.968 -4.785 10.698 1.00 0.00 C ATOM 346 CG ASP A 22 66.703 -5.938 11.662 1.00 0.00 C ATOM 347 OD1 ASP A 22 65.983 -6.849 11.285 1.00 0.00 O ATOM 348 OD2 ASP A 22 67.226 -5.896 12.763 1.00 0.00 O ATOM 0 H ASP A 22 65.398 -5.293 8.571 1.00 0.00 H new ATOM 0 HA ASP A 22 65.040 -3.989 11.209 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.475 -5.154 9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.631 -4.055 11.163 1.00 0.00 H new ATOM 353 N VAL A 23 65.435 -2.527 8.470 1.00 0.00 N ATOM 354 CA VAL A 23 65.627 -1.252 7.773 1.00 0.00 C ATOM 355 C VAL A 23 64.301 -0.794 7.165 1.00 0.00 C ATOM 356 O VAL A 23 63.400 -1.606 6.956 1.00 0.00 O ATOM 357 CB VAL A 23 66.679 -1.429 6.674 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.970 -1.956 7.300 1.00 0.00 C ATOM 359 CG2 VAL A 23 66.179 -2.438 5.639 1.00 0.00 C ATOM 0 H VAL A 23 64.906 -3.219 7.939 1.00 0.00 H new ATOM 0 HA VAL A 23 65.970 -0.495 8.479 1.00 0.00 H new ATOM 0 HB VAL A 23 66.861 -0.470 6.188 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.724 -2.085 6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.331 -1.245 8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.776 -2.915 7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.930 -2.561 4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 23 65.999 -3.397 6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 23 65.252 -2.075 5.196 1.00 0.00 H new ATOM 369 N LYS A 24 64.171 0.507 6.887 1.00 0.00 N ATOM 370 CA LYS A 24 62.927 1.036 6.317 1.00 0.00 C ATOM 371 C LYS A 24 63.199 2.046 5.204 1.00 0.00 C ATOM 372 O LYS A 24 64.246 2.692 5.172 1.00 0.00 O ATOM 373 CB LYS A 24 62.108 1.709 7.420 1.00 0.00 C ATOM 374 CG LYS A 24 61.649 0.652 8.426 1.00 0.00 C ATOM 375 CD LYS A 24 60.848 1.317 9.548 1.00 0.00 C ATOM 376 CE LYS A 24 60.350 0.243 10.516 1.00 0.00 C ATOM 377 NZ LYS A 24 59.583 0.877 11.625 1.00 0.00 N ATOM 0 H LYS A 24 64.899 1.204 7.044 1.00 0.00 H new ATOM 0 HA LYS A 24 62.374 0.201 5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 24 62.707 2.469 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.245 2.217 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.037 -0.098 7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.513 0.133 8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 24 61.470 2.039 10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.004 1.867 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 24 59.719 -0.471 9.987 1.00 0.00 H new ATOM 0 HE3 LYS A 24 61.195 -0.316 10.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 59.247 0.142 12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 60.198 1.542 12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 58.768 1.391 11.234 1.00 0.00 H new ATOM 391 N GLU A 25 62.228 2.170 4.301 1.00 0.00 N ATOM 392 CA GLU A 25 62.323 3.099 3.178 1.00 0.00 C ATOM 393 C GLU A 25 62.607 4.519 3.663 1.00 0.00 C ATOM 394 O GLU A 25 62.084 4.952 4.690 1.00 0.00 O ATOM 395 CB GLU A 25 60.999 3.085 2.404 1.00 0.00 C ATOM 396 CG GLU A 25 61.098 3.994 1.174 1.00 0.00 C ATOM 397 CD GLU A 25 59.777 3.989 0.414 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.969 3.110 0.670 1.00 0.00 O ATOM 399 OE2 GLU A 25 59.594 4.865 -0.416 1.00 0.00 O ATOM 0 H GLU A 25 61.361 1.634 4.327 1.00 0.00 H new ATOM 0 HA GLU A 25 63.144 2.784 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.760 2.067 2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.188 3.421 3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.346 5.010 1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 25 61.903 3.652 0.523 1.00 0.00 H new ATOM 406 N GLY A 26 63.420 5.248 2.895 1.00 0.00 N ATOM 407 CA GLY A 26 63.747 6.633 3.228 1.00 0.00 C ATOM 408 C GLY A 26 64.950 6.748 4.164 1.00 0.00 C ATOM 409 O GLY A 26 65.254 7.842 4.640 1.00 0.00 O ATOM 0 H GLY A 26 63.861 4.903 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 26 63.952 7.184 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 26 62.882 7.104 3.696 1.00 0.00 H new ATOM 413 N ASP A 27 65.631 5.629 4.439 1.00 0.00 N ATOM 414 CA ASP A 27 66.795 5.648 5.339 1.00 0.00 C ATOM 415 C ASP A 27 68.039 5.093 4.642 1.00 0.00 C ATOM 416 O ASP A 27 67.943 4.246 3.753 1.00 0.00 O ATOM 417 CB ASP A 27 66.485 4.811 6.585 1.00 0.00 C ATOM 418 CG ASP A 27 67.582 4.980 7.634 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.559 5.647 7.344 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.424 4.443 8.718 1.00 0.00 O ATOM 0 H ASP A 27 65.402 4.711 4.059 1.00 0.00 H new ATOM 0 HA ASP A 27 66.997 6.681 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.525 5.114 7.003 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.396 3.760 6.310 1.00 0.00 H new ATOM 425 N MET A 28 69.207 5.583 5.056 1.00 0.00 N ATOM 426 CA MET A 28 70.474 5.140 4.475 1.00 0.00 C ATOM 427 C MET A 28 70.875 3.779 5.044 1.00 0.00 C ATOM 428 O MET A 28 70.551 3.455 6.187 1.00 0.00 O ATOM 429 CB MET A 28 71.577 6.160 4.775 1.00 0.00 C ATOM 430 CG MET A 28 71.234 7.498 4.118 1.00 0.00 C ATOM 431 SD MET A 28 72.589 8.668 4.402 1.00 0.00 S ATOM 432 CE MET A 28 72.341 8.903 6.183 1.00 0.00 C ATOM 0 H MET A 28 69.302 6.285 5.790 1.00 0.00 H new ATOM 0 HA MET A 28 70.344 5.052 3.396 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.683 6.289 5.852 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.534 5.795 4.402 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.074 7.361 3.048 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.305 7.892 4.531 1.00 0.00 H new ATOM 0 HE1 MET A 28 72.774 9.856 6.488 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.274 8.901 6.405 1.00 0.00 H new ATOM 0 HE3 MET A 28 72.826 8.093 6.728 1.00 0.00 H new ATOM 442 N VAL A 29 71.573 2.981 4.233 1.00 0.00 N ATOM 443 CA VAL A 29 72.007 1.643 4.651 1.00 0.00 C ATOM 444 C VAL A 29 73.530 1.516 4.562 1.00 0.00 C ATOM 445 O VAL A 29 74.140 1.906 3.567 1.00 0.00 O ATOM 446 CB VAL A 29 71.351 0.594 3.742 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.963 -0.788 4.002 1.00 0.00 C ATOM 448 CG2 VAL A 29 69.845 0.549 4.016 1.00 0.00 C ATOM 0 H VAL A 29 71.850 3.236 3.285 1.00 0.00 H new ATOM 0 HA VAL A 29 71.706 1.482 5.686 1.00 0.00 H new ATOM 0 HB VAL A 29 71.525 0.868 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.490 -1.524 3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.033 -0.757 3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.802 -1.067 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.380 -0.196 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.673 0.284 5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.409 1.527 3.814 1.00 0.00 H new ATOM 458 N GLU A 30 74.132 0.959 5.617 1.00 0.00 N ATOM 459 CA GLU A 30 75.585 0.767 5.672 1.00 0.00 C ATOM 460 C GLU A 30 75.936 -0.705 5.447 1.00 0.00 C ATOM 461 O GLU A 30 75.102 -1.589 5.651 1.00 0.00 O ATOM 462 CB GLU A 30 76.105 1.228 7.036 1.00 0.00 C ATOM 463 CG GLU A 30 75.152 0.742 8.128 1.00 0.00 C ATOM 464 CD GLU A 30 75.730 1.043 9.507 1.00 0.00 C ATOM 465 OE1 GLU A 30 76.877 1.452 9.572 1.00 0.00 O ATOM 466 OE2 GLU A 30 75.011 0.870 10.477 1.00 0.00 O ATOM 0 H GLU A 30 73.635 0.633 6.446 1.00 0.00 H new ATOM 0 HA GLU A 30 76.055 1.357 4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 30 77.106 0.834 7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 30 76.182 2.315 7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 30 74.183 1.229 8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 30 74.984 -0.330 8.023 1.00 0.00 H new ATOM 473 N LYS A 31 77.169 -0.959 5.013 1.00 0.00 N ATOM 474 CA LYS A 31 77.614 -2.324 4.743 1.00 0.00 C ATOM 475 C LYS A 31 78.030 -3.046 6.025 1.00 0.00 C ATOM 476 O LYS A 31 79.179 -2.941 6.447 1.00 0.00 O ATOM 477 CB LYS A 31 78.811 -2.287 3.786 1.00 0.00 C ATOM 478 CG LYS A 31 79.207 -3.708 3.384 1.00 0.00 C ATOM 479 CD LYS A 31 80.379 -3.647 2.402 1.00 0.00 C ATOM 480 CE LYS A 31 80.772 -5.063 1.978 1.00 0.00 C ATOM 481 NZ LYS A 31 81.906 -4.990 1.014 1.00 0.00 N ATOM 0 H LYS A 31 77.874 -0.242 4.842 1.00 0.00 H new ATOM 0 HA LYS A 31 76.780 -2.866 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.559 -1.707 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.654 -1.788 4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.486 -4.283 4.266 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.360 -4.218 2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.102 -3.059 1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.229 -3.147 2.866 1.00 0.00 H new ATOM 0 HE2 LYS A 31 81.058 -5.650 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 31 79.921 -5.567 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.177 -5.951 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 81.616 -4.444 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 82.718 -4.524 1.468 1.00 0.00 H new ATOM 495 N ASP A 32 77.098 -3.798 6.621 1.00 0.00 N ATOM 496 CA ASP A 32 77.393 -4.557 7.841 1.00 0.00 C ATOM 497 C ASP A 32 76.130 -5.196 8.419 1.00 0.00 C ATOM 498 O ASP A 32 75.233 -4.503 8.899 1.00 0.00 O ATOM 499 CB ASP A 32 78.028 -3.653 8.909 1.00 0.00 C ATOM 500 CG ASP A 32 77.265 -2.338 9.001 1.00 0.00 C ATOM 501 OD1 ASP A 32 76.126 -2.308 8.567 1.00 0.00 O ATOM 502 OD2 ASP A 32 77.830 -1.381 9.505 1.00 0.00 O ATOM 0 H ASP A 32 76.141 -3.897 6.282 1.00 0.00 H new ATOM 0 HA ASP A 32 78.095 -5.344 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.018 -4.157 9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.072 -3.460 8.660 1.00 0.00 H new ATOM 507 N GLN A 33 76.090 -6.524 8.396 1.00 0.00 N ATOM 508 CA GLN A 33 74.963 -7.267 8.942 1.00 0.00 C ATOM 509 C GLN A 33 73.636 -6.802 8.349 1.00 0.00 C ATOM 510 O GLN A 33 73.111 -7.416 7.422 1.00 0.00 O ATOM 511 CB GLN A 33 74.922 -7.099 10.460 1.00 0.00 C ATOM 512 CG GLN A 33 76.072 -7.879 11.105 1.00 0.00 C ATOM 513 CD GLN A 33 76.044 -7.687 12.617 1.00 0.00 C ATOM 514 OE1 GLN A 33 75.690 -6.612 13.102 1.00 0.00 O ATOM 515 NE2 GLN A 33 76.401 -8.672 13.394 1.00 0.00 N ATOM 0 H GLN A 33 76.828 -7.108 8.003 1.00 0.00 H new ATOM 0 HA GLN A 33 75.102 -8.316 8.681 1.00 0.00 H new ATOM 0 HB2 GLN A 33 74.997 -6.043 10.719 1.00 0.00 H new ATOM 0 HB3 GLN A 33 73.968 -7.455 10.848 1.00 0.00 H new ATOM 0 HG2 GLN A 33 75.986 -8.938 10.862 1.00 0.00 H new ATOM 0 HG3 GLN A 33 77.026 -7.536 10.704 1.00 0.00 H new ATOM 0 HE21 GLN A 33 76.694 -9.561 12.989 1.00 0.00 H new ATOM 0 HE22 GLN A 33 76.387 -8.553 14.407 1.00 0.00 H new ATOM 524 N ASP A 34 73.098 -5.723 8.913 1.00 0.00 N ATOM 525 CA ASP A 34 71.817 -5.172 8.466 1.00 0.00 C ATOM 526 C ASP A 34 70.671 -6.055 8.960 1.00 0.00 C ATOM 527 O ASP A 34 69.531 -5.919 8.513 1.00 0.00 O ATOM 528 CB ASP A 34 71.796 -5.076 6.934 1.00 0.00 C ATOM 529 CG ASP A 34 70.822 -3.994 6.477 1.00 0.00 C ATOM 530 OD1 ASP A 34 70.814 -2.937 7.084 1.00 0.00 O ATOM 531 OD2 ASP A 34 70.104 -4.240 5.522 1.00 0.00 O ATOM 0 H ASP A 34 73.529 -5.211 9.682 1.00 0.00 H new ATOM 0 HA ASP A 34 71.692 -4.172 8.881 1.00 0.00 H new ATOM 0 HB2 ASP A 34 72.797 -4.852 6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.507 -6.037 6.508 1.00 0.00 H new ATOM 536 N LEU A 35 71.009 -6.949 9.893 1.00 0.00 N ATOM 537 CA LEU A 35 70.043 -7.887 10.501 1.00 0.00 C ATOM 538 C LEU A 35 68.794 -8.097 9.635 1.00 0.00 C ATOM 539 O LEU A 35 67.759 -7.474 9.857 1.00 0.00 O ATOM 540 CB LEU A 35 69.630 -7.386 11.911 1.00 0.00 C ATOM 541 CG LEU A 35 70.554 -7.979 13.001 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.512 -7.100 14.254 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.082 -9.392 13.380 1.00 0.00 C ATOM 0 H LEU A 35 71.958 -7.048 10.253 1.00 0.00 H new ATOM 0 HA LEU A 35 70.544 -8.852 10.581 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.676 -6.297 11.942 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.596 -7.667 12.113 1.00 0.00 H new ATOM 0 HG LEU A 35 71.570 -8.021 12.608 1.00 0.00 H new ATOM 0 HD11 LEU A 35 71.165 -7.523 15.017 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.850 -6.094 14.004 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.491 -7.056 14.633 1.00 0.00 H new ATOM 0 HD21 LEU A 35 70.739 -9.801 14.148 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.062 -9.345 13.762 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.110 -10.033 12.499 1.00 0.00 H new ATOM 555 N VAL A 36 68.895 -9.012 8.676 1.00 0.00 N ATOM 556 CA VAL A 36 67.769 -9.356 7.799 1.00 0.00 C ATOM 557 C VAL A 36 67.490 -10.852 7.943 1.00 0.00 C ATOM 558 O VAL A 36 68.403 -11.671 7.848 1.00 0.00 O ATOM 559 CB VAL A 36 68.094 -8.982 6.326 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.610 -9.016 6.116 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.449 -9.988 5.358 1.00 0.00 C ATOM 0 H VAL A 36 69.749 -9.535 8.482 1.00 0.00 H new ATOM 0 HA VAL A 36 66.881 -8.792 8.086 1.00 0.00 H new ATOM 0 HB VAL A 36 67.701 -7.985 6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.840 -8.754 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 36 70.086 -8.301 6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.984 -10.017 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.688 -9.710 4.332 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.834 -10.987 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.367 -9.981 5.494 1.00 0.00 H new ATOM 571 N GLU A 37 66.225 -11.202 8.167 1.00 0.00 N ATOM 572 CA GLU A 37 65.837 -12.607 8.319 1.00 0.00 C ATOM 573 C GLU A 37 64.892 -13.023 7.199 1.00 0.00 C ATOM 574 O GLU A 37 63.844 -12.409 6.997 1.00 0.00 O ATOM 575 CB GLU A 37 65.147 -12.818 9.671 1.00 0.00 C ATOM 576 CG GLU A 37 66.141 -12.568 10.814 1.00 0.00 C ATOM 577 CD GLU A 37 66.284 -11.072 11.079 1.00 0.00 C ATOM 578 OE1 GLU A 37 65.702 -10.298 10.336 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.971 -10.722 12.025 1.00 0.00 O ATOM 0 H GLU A 37 65.454 -10.539 8.247 1.00 0.00 H new ATOM 0 HA GLU A 37 66.737 -13.219 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.297 -12.142 9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.756 -13.833 9.734 1.00 0.00 H new ATOM 0 HG2 GLU A 37 65.800 -13.073 11.718 1.00 0.00 H new ATOM 0 HG3 GLU A 37 67.112 -12.993 10.559 1.00 0.00 H new ATOM 586 N VAL A 38 65.269 -14.080 6.478 1.00 0.00 N ATOM 587 CA VAL A 38 64.458 -14.596 5.377 1.00 0.00 C ATOM 588 C VAL A 38 64.015 -16.024 5.691 1.00 0.00 C ATOM 589 O VAL A 38 64.806 -16.846 6.171 1.00 0.00 O ATOM 590 CB VAL A 38 65.259 -14.562 4.061 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.279 -13.133 3.511 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.695 -15.020 4.313 1.00 0.00 C ATOM 0 H VAL A 38 66.134 -14.596 6.638 1.00 0.00 H new ATOM 0 HA VAL A 38 63.576 -13.967 5.259 1.00 0.00 H new ATOM 0 HB VAL A 38 64.786 -15.230 3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.846 -13.109 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.258 -12.801 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.748 -12.470 4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 38 67.255 -14.993 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 38 67.167 -14.356 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.689 -16.038 4.703 1.00 0.00 H new ATOM 602 N MET A 39 62.732 -16.300 5.440 1.00 0.00 N ATOM 603 CA MET A 39 62.149 -17.618 5.702 1.00 0.00 C ATOM 604 C MET A 39 61.500 -18.179 4.443 1.00 0.00 C ATOM 605 O MET A 39 61.035 -17.431 3.582 1.00 0.00 O ATOM 606 CB MET A 39 61.103 -17.508 6.816 1.00 0.00 C ATOM 607 CG MET A 39 60.365 -18.840 6.984 1.00 0.00 C ATOM 608 SD MET A 39 59.380 -18.796 8.504 1.00 0.00 S ATOM 609 CE MET A 39 57.879 -18.089 7.786 1.00 0.00 C ATOM 0 H MET A 39 62.074 -15.623 5.053 1.00 0.00 H new ATOM 0 HA MET A 39 62.945 -18.294 6.014 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.587 -17.232 7.753 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.391 -16.717 6.579 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.720 -19.021 6.125 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.080 -19.662 7.025 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.246 -17.696 8.581 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.147 -17.283 7.103 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.338 -18.862 7.240 1.00 0.00 H new ATOM 619 N THR A 40 61.469 -19.507 4.347 1.00 0.00 N ATOM 620 CA THR A 40 60.875 -20.186 3.194 1.00 0.00 C ATOM 621 C THR A 40 59.514 -20.756 3.577 1.00 0.00 C ATOM 622 O THR A 40 58.511 -20.516 2.904 1.00 0.00 O ATOM 623 CB THR A 40 61.797 -21.327 2.736 1.00 0.00 C ATOM 624 OG1 THR A 40 61.427 -22.528 3.401 1.00 0.00 O ATOM 625 CG2 THR A 40 63.249 -20.982 3.081 1.00 0.00 C ATOM 0 H THR A 40 61.849 -20.136 5.054 1.00 0.00 H new ATOM 0 HA THR A 40 60.751 -19.470 2.381 1.00 0.00 H new ATOM 0 HB THR A 40 61.702 -21.461 1.658 1.00 0.00 H new ATOM 0 HG1 THR A 40 62.013 -23.257 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 40 63.902 -21.792 2.756 1.00 0.00 H new ATOM 0 HG22 THR A 40 63.534 -20.060 2.574 1.00 0.00 H new ATOM 0 HG23 THR A 40 63.345 -20.849 4.159 1.00 0.00 H new ATOM 633 N ASP A 41 59.497 -21.511 4.671 1.00 0.00 N ATOM 634 CA ASP A 41 58.264 -22.131 5.177 1.00 0.00 C ATOM 635 C ASP A 41 58.218 -21.997 6.693 1.00 0.00 C ATOM 636 O ASP A 41 57.334 -21.342 7.245 1.00 0.00 O ATOM 637 CB ASP A 41 58.237 -23.612 4.792 1.00 0.00 C ATOM 638 CG ASP A 41 57.942 -23.762 3.303 1.00 0.00 C ATOM 639 OD1 ASP A 41 57.437 -22.815 2.719 1.00 0.00 O ATOM 640 OD2 ASP A 41 58.219 -24.821 2.766 1.00 0.00 O ATOM 0 H ASP A 41 60.325 -21.713 5.231 1.00 0.00 H new ATOM 0 HA ASP A 41 57.400 -21.631 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 41 59.195 -24.075 5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 41 57.478 -24.133 5.375 1.00 0.00 H new ATOM 645 N LYS A 42 59.193 -22.610 7.361 1.00 0.00 N ATOM 646 CA LYS A 42 59.281 -22.549 8.823 1.00 0.00 C ATOM 647 C LYS A 42 60.740 -22.548 9.281 1.00 0.00 C ATOM 648 O LYS A 42 61.081 -23.174 10.285 1.00 0.00 O ATOM 649 CB LYS A 42 58.545 -23.739 9.448 1.00 0.00 C ATOM 650 CG LYS A 42 59.184 -25.051 8.972 1.00 0.00 C ATOM 651 CD LYS A 42 58.361 -26.244 9.476 1.00 0.00 C ATOM 652 CE LYS A 42 58.528 -26.411 10.991 1.00 0.00 C ATOM 653 NZ LYS A 42 58.007 -27.748 11.393 1.00 0.00 N ATOM 0 H LYS A 42 59.933 -23.154 6.917 1.00 0.00 H new ATOM 0 HA LYS A 42 58.812 -21.622 9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.589 -23.676 10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 42 57.492 -23.714 9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 42 59.235 -25.067 7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 42 60.207 -25.122 9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.309 -26.095 9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 42 58.679 -27.154 8.967 1.00 0.00 H new ATOM 0 HE2 LYS A 42 59.579 -26.318 11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 42 57.990 -25.623 11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 58.117 -27.869 12.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 57.000 -27.818 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 58.540 -28.491 10.898 1.00 0.00 H new ATOM 667 N VAL A 43 61.599 -21.835 8.547 1.00 0.00 N ATOM 668 CA VAL A 43 63.021 -21.757 8.894 1.00 0.00 C ATOM 669 C VAL A 43 63.476 -20.304 8.917 1.00 0.00 C ATOM 670 O VAL A 43 63.186 -19.540 8.001 1.00 0.00 O ATOM 671 CB VAL A 43 63.855 -22.521 7.867 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.332 -22.484 8.274 1.00 0.00 C ATOM 673 CG2 VAL A 43 63.370 -23.972 7.797 1.00 0.00 C ATOM 0 H VAL A 43 61.337 -21.307 7.714 1.00 0.00 H new ATOM 0 HA VAL A 43 63.159 -22.199 9.881 1.00 0.00 H new ATOM 0 HB VAL A 43 63.744 -22.056 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 43 65.925 -23.030 7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 43 65.671 -21.449 8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.451 -22.947 9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.964 -24.519 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 43 63.479 -24.440 8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 43 62.321 -23.991 7.501 1.00 0.00 H new ATOM 683 N THR A 44 64.199 -19.929 9.966 1.00 0.00 N ATOM 684 CA THR A 44 64.702 -18.556 10.098 1.00 0.00 C ATOM 685 C THR A 44 66.222 -18.549 10.044 1.00 0.00 C ATOM 686 O THR A 44 66.886 -19.103 10.920 1.00 0.00 O ATOM 687 CB THR A 44 64.248 -17.953 11.432 1.00 0.00 C ATOM 688 OG1 THR A 44 62.865 -18.212 11.630 1.00 0.00 O ATOM 689 CG2 THR A 44 64.482 -16.440 11.426 1.00 0.00 C ATOM 0 H THR A 44 64.452 -20.548 10.736 1.00 0.00 H new ATOM 0 HA THR A 44 64.304 -17.963 9.275 1.00 0.00 H new ATOM 0 HB THR A 44 64.824 -18.406 12.239 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.579 -17.827 12.484 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.157 -16.018 12.377 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.543 -16.237 11.282 1.00 0.00 H new ATOM 0 HG23 THR A 44 63.912 -15.987 10.615 1.00 0.00 H new ATOM 697 N VAL A 45 66.771 -17.914 9.013 1.00 0.00 N ATOM 698 CA VAL A 45 68.228 -17.831 8.849 1.00 0.00 C ATOM 699 C VAL A 45 68.666 -16.390 8.608 1.00 0.00 C ATOM 700 O VAL A 45 68.106 -15.692 7.760 1.00 0.00 O ATOM 701 CB VAL A 45 68.678 -18.712 7.678 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.618 -20.186 8.089 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.758 -18.478 6.476 1.00 0.00 C ATOM 0 H VAL A 45 66.236 -17.450 8.279 1.00 0.00 H new ATOM 0 HA VAL A 45 68.695 -18.187 9.768 1.00 0.00 H new ATOM 0 HB VAL A 45 69.702 -18.454 7.407 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.938 -20.810 7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.277 -20.353 8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.596 -20.446 8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.079 -19.105 5.644 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.733 -18.732 6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.806 -17.430 6.180 1.00 0.00 H new ATOM 713 N LYS A 46 69.679 -15.954 9.360 1.00 0.00 N ATOM 714 CA LYS A 46 70.207 -14.598 9.231 1.00 0.00 C ATOM 715 C LYS A 46 71.410 -14.591 8.293 1.00 0.00 C ATOM 716 O LYS A 46 72.299 -15.437 8.404 1.00 0.00 O ATOM 717 CB LYS A 46 70.622 -14.070 10.613 1.00 0.00 C ATOM 718 CG LYS A 46 71.167 -12.621 10.506 1.00 0.00 C ATOM 719 CD LYS A 46 72.703 -12.620 10.542 1.00 0.00 C ATOM 720 CE LYS A 46 73.222 -11.209 10.261 1.00 0.00 C ATOM 721 NZ LYS A 46 72.773 -10.288 11.344 1.00 0.00 N ATOM 0 H LYS A 46 70.149 -16.522 10.065 1.00 0.00 H new ATOM 0 HA LYS A 46 69.432 -13.953 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 46 69.767 -14.093 11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.385 -14.720 11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 46 70.819 -12.163 9.580 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.778 -12.018 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.054 -12.960 11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.095 -13.317 9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.310 -11.215 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 46 72.853 -10.860 9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.182 -9.344 11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.735 -10.221 11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.088 -10.655 12.265 1.00 0.00 H new ATOM 735 N ILE A 47 71.428 -13.639 7.362 1.00 0.00 N ATOM 736 CA ILE A 47 72.524 -13.528 6.392 1.00 0.00 C ATOM 737 C ILE A 47 73.068 -12.088 6.375 1.00 0.00 C ATOM 738 O ILE A 47 72.281 -11.141 6.345 1.00 0.00 O ATOM 739 CB ILE A 47 72.000 -13.893 4.994 1.00 0.00 C ATOM 740 CG1 ILE A 47 71.317 -15.265 5.034 1.00 0.00 C ATOM 741 CG2 ILE A 47 73.158 -13.945 3.996 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.518 -15.470 3.744 1.00 0.00 C ATOM 0 H ILE A 47 70.699 -12.933 7.256 1.00 0.00 H new ATOM 0 HA ILE A 47 73.327 -14.208 6.676 1.00 0.00 H new ATOM 0 HB ILE A 47 71.283 -13.133 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 47 72.063 -16.052 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.657 -15.330 5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.776 -14.204 3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 47 73.645 -12.971 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.880 -14.697 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 47 70.031 -16.445 3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.763 -14.689 3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 47 71.191 -15.422 2.888 1.00 0.00 H new ATOM 754 N PRO A 48 74.374 -11.885 6.391 1.00 0.00 N ATOM 755 CA PRO A 48 74.955 -10.507 6.369 1.00 0.00 C ATOM 756 C PRO A 48 74.750 -9.843 5.011 1.00 0.00 C ATOM 757 O PRO A 48 74.781 -10.510 3.979 1.00 0.00 O ATOM 758 CB PRO A 48 76.442 -10.733 6.689 1.00 0.00 C ATOM 759 CG PRO A 48 76.727 -12.118 6.210 1.00 0.00 C ATOM 760 CD PRO A 48 75.436 -12.914 6.425 1.00 0.00 C ATOM 0 HA PRO A 48 74.481 -9.832 7.081 1.00 0.00 H new ATOM 0 HB2 PRO A 48 77.072 -10.001 6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.636 -10.636 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 48 77.013 -12.116 5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 48 77.555 -12.560 6.765 1.00 0.00 H new ATOM 0 HD2 PRO A 48 75.293 -13.662 5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 48 75.448 -13.445 7.377 1.00 0.00 H new ATOM 768 N SER A 49 74.515 -8.530 5.021 1.00 0.00 N ATOM 769 CA SER A 49 74.279 -7.777 3.789 1.00 0.00 C ATOM 770 C SER A 49 75.544 -7.044 3.308 1.00 0.00 C ATOM 771 O SER A 49 75.890 -6.000 3.859 1.00 0.00 O ATOM 772 CB SER A 49 73.199 -6.735 4.060 1.00 0.00 C ATOM 773 OG SER A 49 72.064 -7.364 4.639 1.00 0.00 O ATOM 0 H SER A 49 74.483 -7.966 5.870 1.00 0.00 H new ATOM 0 HA SER A 49 73.978 -8.483 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.582 -5.965 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.918 -6.238 3.132 1.00 0.00 H new ATOM 0 HG SER A 49 71.254 -6.873 4.387 1.00 0.00 H new ATOM 779 N PRO A 50 76.227 -7.527 2.285 1.00 0.00 N ATOM 780 CA PRO A 50 77.440 -6.845 1.746 1.00 0.00 C ATOM 781 C PRO A 50 77.046 -5.747 0.750 1.00 0.00 C ATOM 782 O PRO A 50 77.560 -5.702 -0.369 1.00 0.00 O ATOM 783 CB PRO A 50 78.186 -7.980 1.042 1.00 0.00 C ATOM 784 CG PRO A 50 77.106 -8.882 0.535 1.00 0.00 C ATOM 785 CD PRO A 50 75.938 -8.766 1.530 1.00 0.00 C ATOM 0 HA PRO A 50 78.036 -6.350 2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 50 78.803 -7.603 0.227 1.00 0.00 H new ATOM 0 HB3 PRO A 50 78.851 -8.504 1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 50 76.793 -8.588 -0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 50 77.459 -9.911 0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 50 74.980 -8.704 1.014 1.00 0.00 H new ATOM 0 HD3 PRO A 50 75.889 -9.632 2.190 1.00 0.00 H new ATOM 793 N VAL A 51 76.089 -4.894 1.136 1.00 0.00 N ATOM 794 CA VAL A 51 75.592 -3.847 0.239 1.00 0.00 C ATOM 795 C VAL A 51 75.540 -2.471 0.917 1.00 0.00 C ATOM 796 O VAL A 51 75.491 -2.369 2.143 1.00 0.00 O ATOM 797 CB VAL A 51 74.184 -4.263 -0.197 1.00 0.00 C ATOM 798 CG1 VAL A 51 74.214 -5.739 -0.603 1.00 0.00 C ATOM 799 CG2 VAL A 51 73.222 -4.091 0.986 1.00 0.00 C ATOM 0 H VAL A 51 75.648 -4.908 2.055 1.00 0.00 H new ATOM 0 HA VAL A 51 76.269 -3.748 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 51 73.854 -3.648 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.218 -6.051 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 51 74.913 -5.875 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.533 -6.344 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.217 -4.385 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.549 -4.718 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 51 73.215 -3.047 1.301 1.00 0.00 H new ATOM 809 N ARG A 52 75.529 -1.417 0.094 1.00 0.00 N ATOM 810 CA ARG A 52 75.458 -0.045 0.590 1.00 0.00 C ATOM 811 C ARG A 52 74.979 0.891 -0.519 1.00 0.00 C ATOM 812 O ARG A 52 75.308 0.698 -1.688 1.00 0.00 O ATOM 813 CB ARG A 52 76.831 0.410 1.089 1.00 0.00 C ATOM 814 CG ARG A 52 77.853 0.313 -0.044 1.00 0.00 C ATOM 815 CD ARG A 52 79.223 0.758 0.468 1.00 0.00 C ATOM 816 NE ARG A 52 80.205 0.704 -0.609 1.00 0.00 N ATOM 817 CZ ARG A 52 81.508 0.676 -0.351 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.932 0.674 0.884 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.367 0.652 -1.334 1.00 0.00 N ATOM 0 H ARG A 52 75.569 -1.492 -0.922 1.00 0.00 H new ATOM 0 HA ARG A 52 74.750 -0.012 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.774 1.436 1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.146 -0.209 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.906 -0.711 -0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.545 0.939 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 52 79.160 1.772 0.862 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.538 0.116 1.290 1.00 0.00 H new ATOM 0 HE ARG A 52 79.886 0.687 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 52 81.262 0.694 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 52 82.933 0.652 1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.038 0.655 -2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 52 83.367 0.631 -1.137 1.00 0.00 H new ATOM 833 N GLY A 53 74.207 1.908 -0.144 1.00 0.00 N ATOM 834 CA GLY A 53 73.699 2.869 -1.119 1.00 0.00 C ATOM 835 C GLY A 53 72.471 3.602 -0.584 1.00 0.00 C ATOM 836 O GLY A 53 72.447 4.013 0.576 1.00 0.00 O ATOM 0 H GLY A 53 73.922 2.087 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.479 3.590 -1.363 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.443 2.352 -2.044 1.00 0.00 H new ATOM 840 N LYS A 54 71.449 3.772 -1.433 1.00 0.00 N ATOM 841 CA LYS A 54 70.223 4.470 -1.029 1.00 0.00 C ATOM 842 C LYS A 54 69.006 3.605 -1.328 1.00 0.00 C ATOM 843 O LYS A 54 68.957 2.925 -2.351 1.00 0.00 O ATOM 844 CB LYS A 54 70.108 5.793 -1.798 1.00 0.00 C ATOM 845 CG LYS A 54 71.240 6.730 -1.370 1.00 0.00 C ATOM 846 CD LYS A 54 71.126 8.053 -2.129 1.00 0.00 C ATOM 847 CE LYS A 54 72.244 8.995 -1.678 1.00 0.00 C ATOM 848 NZ LYS A 54 72.132 10.286 -2.412 1.00 0.00 N ATOM 0 H LYS A 54 71.447 3.438 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 54 70.266 4.670 0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.160 5.608 -2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.142 6.258 -1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.190 6.910 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.205 6.266 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 54 71.195 7.876 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 54 70.154 8.509 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.177 9.168 -0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 54 73.216 8.540 -1.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 72.892 10.927 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 72.216 10.113 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 71.210 10.722 -2.210 1.00 0.00 H new ATOM 862 N ILE A 55 68.019 3.631 -0.433 1.00 0.00 N ATOM 863 CA ILE A 55 66.806 2.837 -0.622 1.00 0.00 C ATOM 864 C ILE A 55 65.715 3.718 -1.234 1.00 0.00 C ATOM 865 O ILE A 55 65.340 4.741 -0.662 1.00 0.00 O ATOM 866 CB ILE A 55 66.349 2.289 0.738 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.569 1.865 1.570 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.444 1.072 0.541 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.423 0.858 0.791 1.00 0.00 C ATOM 0 H ILE A 55 68.034 4.187 0.422 1.00 0.00 H new ATOM 0 HA ILE A 55 67.004 2.003 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 55 65.800 3.074 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.167 2.741 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.240 1.422 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.127 0.693 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.568 1.360 -0.039 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.991 0.294 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.283 0.567 1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.826 -0.025 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.768 1.314 -0.137 1.00 0.00 H new ATOM 881 N VAL A 56 65.237 3.332 -2.418 1.00 0.00 N ATOM 882 CA VAL A 56 64.218 4.116 -3.125 1.00 0.00 C ATOM 883 C VAL A 56 62.789 3.741 -2.711 1.00 0.00 C ATOM 884 O VAL A 56 61.977 4.622 -2.434 1.00 0.00 O ATOM 885 CB VAL A 56 64.386 3.926 -4.649 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.127 4.396 -5.394 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.587 4.742 -5.142 1.00 0.00 C ATOM 0 H VAL A 56 65.535 2.488 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 56 64.367 5.161 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 56 64.546 2.866 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.264 4.254 -6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.268 3.815 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 56 62.955 5.452 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.703 4.606 -6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.423 5.798 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.490 4.403 -4.634 1.00 0.00 H new ATOM 897 N LYS A 57 62.466 2.447 -2.709 1.00 0.00 N ATOM 898 CA LYS A 57 61.105 2.028 -2.369 1.00 0.00 C ATOM 899 C LYS A 57 61.060 0.575 -1.908 1.00 0.00 C ATOM 900 O LYS A 57 61.953 -0.215 -2.209 1.00 0.00 O ATOM 901 CB LYS A 57 60.204 2.215 -3.597 1.00 0.00 C ATOM 902 CG LYS A 57 58.741 1.958 -3.225 1.00 0.00 C ATOM 903 CD LYS A 57 57.848 2.272 -4.426 1.00 0.00 C ATOM 904 CE LYS A 57 56.384 2.047 -4.045 1.00 0.00 C ATOM 905 NZ LYS A 57 55.513 2.381 -5.207 1.00 0.00 N ATOM 0 H LYS A 57 63.109 1.688 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 57 60.751 2.644 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.315 3.227 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.511 1.532 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.609 0.920 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.456 2.578 -2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 57 57.998 3.304 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.117 1.636 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.230 1.010 -3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.120 2.667 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.517 2.228 -4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.654 3.377 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.760 1.771 -6.012 1.00 0.00 H new ATOM 919 N ILE A 58 59.999 0.236 -1.170 1.00 0.00 N ATOM 920 CA ILE A 58 59.809 -1.116 -0.655 1.00 0.00 C ATOM 921 C ILE A 58 58.459 -1.672 -1.112 1.00 0.00 C ATOM 922 O ILE A 58 57.411 -1.080 -0.855 1.00 0.00 O ATOM 923 CB ILE A 58 59.879 -1.072 0.880 1.00 0.00 C ATOM 924 CG1 ILE A 58 60.066 -2.488 1.421 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.592 -0.459 1.454 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.906 -2.501 2.945 1.00 0.00 C ATOM 0 H ILE A 58 59.256 0.887 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 58 60.591 -1.771 -1.039 1.00 0.00 H new ATOM 0 HB ILE A 58 60.724 -0.453 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.336 -3.158 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 58 61.053 -2.861 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.655 -0.434 2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.471 0.555 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.736 -1.063 1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 58 60.042 -3.517 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 58 60.653 -1.847 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.909 -2.148 3.209 1.00 0.00 H new ATOM 938 N LEU A 59 58.497 -2.816 -1.799 1.00 0.00 N ATOM 939 CA LEU A 59 57.279 -3.457 -2.300 1.00 0.00 C ATOM 940 C LEU A 59 56.843 -4.587 -1.370 1.00 0.00 C ATOM 941 O LEU A 59 55.697 -5.034 -1.418 1.00 0.00 O ATOM 942 CB LEU A 59 57.532 -4.022 -3.701 1.00 0.00 C ATOM 943 CG LEU A 59 57.817 -2.881 -4.691 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.340 -3.474 -6.002 1.00 0.00 C ATOM 945 CD2 LEU A 59 56.535 -2.069 -4.966 1.00 0.00 C ATOM 0 H LEU A 59 59.357 -3.317 -2.021 1.00 0.00 H new ATOM 0 HA LEU A 59 56.487 -2.709 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.376 -4.711 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.665 -4.593 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 59 58.563 -2.214 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.544 -2.670 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.258 -4.030 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.591 -4.145 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.757 -1.266 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.774 -2.723 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.167 -1.643 -4.033 1.00 0.00 H new ATOM 957 N TYR A 60 57.767 -5.049 -0.527 1.00 0.00 N ATOM 958 CA TYR A 60 57.482 -6.135 0.416 1.00 0.00 C ATOM 959 C TYR A 60 57.335 -5.597 1.833 1.00 0.00 C ATOM 960 O TYR A 60 58.117 -4.755 2.280 1.00 0.00 O ATOM 961 CB TYR A 60 58.613 -7.179 0.373 1.00 0.00 C ATOM 962 CG TYR A 60 58.422 -8.088 -0.832 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.601 -7.581 -2.131 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.055 -9.433 -0.654 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.415 -8.417 -3.240 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.873 -10.263 -1.766 1.00 0.00 C ATOM 967 CZ TYR A 60 58.052 -9.755 -3.057 1.00 0.00 C ATOM 968 OH TYR A 60 57.868 -10.577 -4.152 1.00 0.00 O ATOM 0 H TYR A 60 58.720 -4.689 -0.477 1.00 0.00 H new ATOM 0 HA TYR A 60 56.543 -6.604 0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.580 -6.680 0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.613 -7.769 1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.882 -6.548 -2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.913 -9.826 0.342 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.552 -8.027 -4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.594 -11.297 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 60 58.376 -11.406 -4.028 1.00 0.00 H new ATOM 978 N ARG A 61 56.319 -6.096 2.537 1.00 0.00 N ATOM 979 CA ARG A 61 56.047 -5.683 3.913 1.00 0.00 C ATOM 980 C ARG A 61 56.098 -6.892 4.841 1.00 0.00 C ATOM 981 O ARG A 61 56.419 -7.998 4.417 1.00 0.00 O ATOM 982 CB ARG A 61 54.668 -5.021 3.991 1.00 0.00 C ATOM 983 CG ARG A 61 53.585 -5.999 3.525 1.00 0.00 C ATOM 984 CD ARG A 61 52.219 -5.320 3.645 1.00 0.00 C ATOM 985 NE ARG A 61 52.126 -4.225 2.687 1.00 0.00 N ATOM 986 CZ ARG A 61 51.084 -3.402 2.675 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.111 -3.565 3.531 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.034 -2.432 1.803 1.00 0.00 N ATOM 0 H ARG A 61 55.667 -6.791 2.174 1.00 0.00 H new ATOM 0 HA ARG A 61 56.806 -4.966 4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 61 54.466 -4.704 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 61 54.651 -4.125 3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 61 53.767 -6.299 2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 61 53.610 -6.905 4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 61 51.425 -6.044 3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.078 -4.942 4.658 1.00 0.00 H new ATOM 0 HE ARG A 61 52.878 -4.088 2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.151 -4.325 4.210 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.311 -2.932 3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 61 51.794 -2.308 1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 61 50.235 -1.798 1.791 1.00 0.00 H new ATOM 1002 N GLU A 62 55.797 -6.671 6.111 1.00 0.00 N ATOM 1003 CA GLU A 62 55.823 -7.753 7.088 1.00 0.00 C ATOM 1004 C GLU A 62 54.767 -8.816 6.779 1.00 0.00 C ATOM 1005 O GLU A 62 53.582 -8.507 6.662 1.00 0.00 O ATOM 1006 CB GLU A 62 55.545 -7.194 8.489 1.00 0.00 C ATOM 1007 CG GLU A 62 56.653 -6.212 8.905 1.00 0.00 C ATOM 1008 CD GLU A 62 56.365 -4.810 8.369 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.409 -4.661 7.625 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.108 -3.906 8.712 1.00 0.00 O ATOM 0 H GLU A 62 55.534 -5.761 6.489 1.00 0.00 H new ATOM 0 HA GLU A 62 56.811 -8.211 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.579 -6.689 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.486 -8.011 9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 62 56.729 -6.182 9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.614 -6.560 8.527 1.00 0.00 H new ATOM 1017 N GLY A 63 55.200 -10.075 6.692 1.00 0.00 N ATOM 1018 CA GLY A 63 54.266 -11.183 6.443 1.00 0.00 C ATOM 1019 C GLY A 63 53.961 -11.392 4.961 1.00 0.00 C ATOM 1020 O GLY A 63 53.113 -12.215 4.618 1.00 0.00 O ATOM 0 H GLY A 63 56.176 -10.354 6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.684 -12.102 6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 63 53.334 -10.991 6.975 1.00 0.00 H new ATOM 1024 N GLN A 64 54.633 -10.659 4.081 1.00 0.00 N ATOM 1025 CA GLN A 64 54.375 -10.811 2.649 1.00 0.00 C ATOM 1026 C GLN A 64 54.900 -12.156 2.141 1.00 0.00 C ATOM 1027 O GLN A 64 56.027 -12.554 2.434 1.00 0.00 O ATOM 1028 CB GLN A 64 55.017 -9.642 1.859 1.00 0.00 C ATOM 1029 CG GLN A 64 53.930 -8.770 1.211 1.00 0.00 C ATOM 1030 CD GLN A 64 53.229 -9.550 0.103 1.00 0.00 C ATOM 1031 OE1 GLN A 64 53.886 -10.113 -0.773 1.00 0.00 O ATOM 1032 NE2 GLN A 64 51.926 -9.612 0.088 1.00 0.00 N ATOM 0 H GLN A 64 55.344 -9.969 4.322 1.00 0.00 H new ATOM 0 HA GLN A 64 53.297 -10.787 2.490 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.628 -9.035 2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.682 -10.036 1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 64 53.205 -8.459 1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 64 54.375 -7.863 0.803 1.00 0.00 H new ATOM 0 HE21 GLN A 64 51.385 -9.144 0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 64 51.448 -10.128 -0.651 1.00 0.00 H new ATOM 1041 N VAL A 65 54.062 -12.834 1.359 1.00 0.00 N ATOM 1042 CA VAL A 65 54.412 -14.130 0.771 1.00 0.00 C ATOM 1043 C VAL A 65 54.257 -14.034 -0.746 1.00 0.00 C ATOM 1044 O VAL A 65 53.204 -13.629 -1.237 1.00 0.00 O ATOM 1045 CB VAL A 65 53.463 -15.210 1.301 1.00 0.00 C ATOM 1046 CG1 VAL A 65 53.669 -16.520 0.527 1.00 0.00 C ATOM 1047 CG2 VAL A 65 53.700 -15.452 2.797 1.00 0.00 C ATOM 0 H VAL A 65 53.128 -12.506 1.115 1.00 0.00 H new ATOM 0 HA VAL A 65 55.438 -14.389 1.034 1.00 0.00 H new ATOM 0 HB VAL A 65 52.439 -14.865 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.990 -17.281 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 65 53.466 -16.353 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 65 54.698 -16.857 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.016 -16.222 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.728 -15.778 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 65 53.524 -14.528 3.347 1.00 0.00 H new ATOM 1057 N VAL A 66 55.302 -14.397 -1.487 1.00 0.00 N ATOM 1058 CA VAL A 66 55.250 -14.326 -2.954 1.00 0.00 C ATOM 1059 C VAL A 66 56.129 -15.417 -3.596 1.00 0.00 C ATOM 1060 O VAL A 66 57.241 -15.648 -3.127 1.00 0.00 O ATOM 1061 CB VAL A 66 55.769 -12.956 -3.404 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.575 -12.795 -4.911 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.996 -11.845 -2.688 1.00 0.00 C ATOM 0 H VAL A 66 56.185 -14.739 -1.107 1.00 0.00 H new ATOM 0 HA VAL A 66 54.217 -14.477 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 66 56.829 -12.887 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.946 -11.819 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.125 -13.577 -5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.515 -12.874 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.370 -10.874 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.936 -11.925 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.131 -11.944 -1.611 1.00 0.00 H new ATOM 1073 N PRO A 67 55.700 -16.070 -4.669 1.00 0.00 N ATOM 1074 CA PRO A 67 56.554 -17.102 -5.337 1.00 0.00 C ATOM 1075 C PRO A 67 57.900 -16.519 -5.789 1.00 0.00 C ATOM 1076 O PRO A 67 58.001 -15.333 -6.101 1.00 0.00 O ATOM 1077 CB PRO A 67 55.727 -17.572 -6.553 1.00 0.00 C ATOM 1078 CG PRO A 67 54.317 -17.157 -6.272 1.00 0.00 C ATOM 1079 CD PRO A 67 54.389 -15.937 -5.348 1.00 0.00 C ATOM 0 HA PRO A 67 56.799 -17.919 -4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.092 -17.117 -7.474 1.00 0.00 H new ATOM 0 HB3 PRO A 67 55.799 -18.652 -6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 67 53.795 -16.911 -7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 67 53.763 -17.968 -5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.325 -15.006 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 67 53.568 -15.932 -4.631 1.00 0.00 H new ATOM 1087 N VAL A 68 58.923 -17.367 -5.815 1.00 0.00 N ATOM 1088 CA VAL A 68 60.264 -16.943 -6.222 1.00 0.00 C ATOM 1089 C VAL A 68 60.287 -16.499 -7.681 1.00 0.00 C ATOM 1090 O VAL A 68 59.850 -17.226 -8.574 1.00 0.00 O ATOM 1091 CB VAL A 68 61.244 -18.109 -6.025 1.00 0.00 C ATOM 1092 CG1 VAL A 68 60.751 -19.339 -6.798 1.00 0.00 C ATOM 1093 CG2 VAL A 68 62.631 -17.718 -6.542 1.00 0.00 C ATOM 0 H VAL A 68 58.852 -18.352 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 68 60.558 -16.094 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 68 61.303 -18.342 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 68 61.450 -20.163 -6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 68 59.767 -19.630 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 68 60.685 -19.099 -7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 68 63.321 -18.550 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 68 62.569 -17.477 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 68 62.992 -16.849 -5.993 1.00 0.00 H new ATOM 1103 N GLY A 69 60.813 -15.295 -7.912 1.00 0.00 N ATOM 1104 CA GLY A 69 60.914 -14.745 -9.268 1.00 0.00 C ATOM 1105 C GLY A 69 60.462 -13.283 -9.330 1.00 0.00 C ATOM 1106 O GLY A 69 59.623 -12.929 -10.158 1.00 0.00 O ATOM 0 H GLY A 69 61.175 -14.682 -7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.945 -14.821 -9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.305 -15.342 -9.947 1.00 0.00 H new ATOM 1110 N SER A 70 61.020 -12.433 -8.466 1.00 0.00 N ATOM 1111 CA SER A 70 60.650 -11.018 -8.475 1.00 0.00 C ATOM 1112 C SER A 70 61.676 -10.170 -7.729 1.00 0.00 C ATOM 1113 O SER A 70 62.480 -10.691 -6.957 1.00 0.00 O ATOM 1114 CB SER A 70 59.271 -10.830 -7.850 1.00 0.00 C ATOM 1115 OG SER A 70 59.241 -11.461 -6.577 1.00 0.00 O ATOM 0 H SER A 70 61.715 -12.692 -7.766 1.00 0.00 H new ATOM 0 HA SER A 70 60.625 -10.687 -9.513 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.048 -9.768 -7.747 1.00 0.00 H new ATOM 0 HB3 SER A 70 58.505 -11.256 -8.498 1.00 0.00 H new ATOM 0 HG SER A 70 58.699 -10.927 -5.960 1.00 0.00 H new ATOM 1121 N THR A 71 61.633 -8.855 -7.958 1.00 0.00 N ATOM 1122 CA THR A 71 62.557 -7.934 -7.294 1.00 0.00 C ATOM 1123 C THR A 71 61.962 -7.451 -5.977 1.00 0.00 C ATOM 1124 O THR A 71 60.961 -6.736 -5.955 1.00 0.00 O ATOM 1125 CB THR A 71 62.845 -6.729 -8.206 1.00 0.00 C ATOM 1126 OG1 THR A 71 61.658 -6.369 -8.899 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.937 -7.094 -9.212 1.00 0.00 C ATOM 0 H THR A 71 60.973 -8.407 -8.594 1.00 0.00 H new ATOM 0 HA THR A 71 63.490 -8.460 -7.091 1.00 0.00 H new ATOM 0 HB THR A 71 63.183 -5.888 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 71 60.913 -6.313 -8.265 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.139 -6.238 -9.857 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.847 -7.368 -8.678 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.605 -7.936 -9.820 1.00 0.00 H new ATOM 1135 N LEU A 72 62.590 -7.857 -4.886 1.00 0.00 N ATOM 1136 CA LEU A 72 62.133 -7.476 -3.557 1.00 0.00 C ATOM 1137 C LEU A 72 62.306 -5.979 -3.312 1.00 0.00 C ATOM 1138 O LEU A 72 61.473 -5.349 -2.661 1.00 0.00 O ATOM 1139 CB LEU A 72 62.934 -8.231 -2.492 1.00 0.00 C ATOM 1140 CG LEU A 72 62.680 -9.744 -2.574 1.00 0.00 C ATOM 1141 CD1 LEU A 72 63.560 -10.448 -1.534 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.197 -10.061 -2.306 1.00 0.00 C ATOM 0 H LEU A 72 63.419 -8.451 -4.893 1.00 0.00 H new ATOM 0 HA LEU A 72 61.074 -7.728 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.997 -8.031 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.661 -7.867 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 72 62.927 -10.098 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 72 63.390 -11.524 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.609 -10.237 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.308 -10.084 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.038 -11.138 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 72 60.924 -9.711 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.578 -9.559 -3.049 1.00 0.00 H new ATOM 1154 N LEU A 73 63.418 -5.422 -3.793 1.00 0.00 N ATOM 1155 CA LEU A 73 63.708 -4.003 -3.563 1.00 0.00 C ATOM 1156 C LEU A 73 64.563 -3.434 -4.705 1.00 0.00 C ATOM 1157 O LEU A 73 65.438 -4.121 -5.231 1.00 0.00 O ATOM 1158 CB LEU A 73 64.475 -3.889 -2.216 1.00 0.00 C ATOM 1159 CG LEU A 73 64.016 -2.686 -1.376 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.578 -2.833 0.041 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.532 -1.383 -1.987 1.00 0.00 C ATOM 0 H LEU A 73 64.123 -5.920 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 73 62.780 -3.433 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.332 -4.804 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.543 -3.802 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 73 62.927 -2.658 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.260 -1.986 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.208 -3.757 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.667 -2.861 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.199 -0.540 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.621 -1.401 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.144 -1.277 -3.000 1.00 0.00 H new ATOM 1173 N GLN A 74 64.329 -2.170 -5.054 1.00 0.00 N ATOM 1174 CA GLN A 74 65.111 -1.508 -6.103 1.00 0.00 C ATOM 1175 C GLN A 74 66.107 -0.579 -5.427 1.00 0.00 C ATOM 1176 O GLN A 74 65.732 0.227 -4.576 1.00 0.00 O ATOM 1177 CB GLN A 74 64.194 -0.709 -7.027 1.00 0.00 C ATOM 1178 CG GLN A 74 65.014 -0.087 -8.160 1.00 0.00 C ATOM 1179 CD GLN A 74 64.101 0.714 -9.081 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.497 1.699 -8.654 1.00 0.00 O ATOM 1181 NE2 GLN A 74 63.964 0.350 -10.325 1.00 0.00 N ATOM 0 H GLN A 74 63.609 -1.585 -4.630 1.00 0.00 H new ATOM 0 HA GLN A 74 65.632 -2.251 -6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.422 -1.359 -7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 74 63.685 0.072 -6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.788 0.560 -7.748 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.521 -0.869 -8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 74 64.465 -0.466 -10.676 1.00 0.00 H new ATOM 0 HE22 GLN A 74 63.355 0.881 -10.948 1.00 0.00 H new ATOM 1190 N ILE A 75 67.390 -0.733 -5.754 1.00 0.00 N ATOM 1191 CA ILE A 75 68.434 0.072 -5.111 1.00 0.00 C ATOM 1192 C ILE A 75 69.395 0.657 -6.139 1.00 0.00 C ATOM 1193 O ILE A 75 69.935 -0.055 -6.985 1.00 0.00 O ATOM 1194 CB ILE A 75 69.200 -0.818 -4.118 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.219 -1.413 -3.096 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.244 0.006 -3.363 1.00 0.00 C ATOM 1197 CD1 ILE A 75 68.918 -2.504 -2.291 1.00 0.00 C ATOM 0 H ILE A 75 67.730 -1.397 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 75 67.967 0.906 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 75 69.694 -1.613 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 75 67.855 -0.632 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.350 -1.825 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 75 70.779 -0.637 -2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 75 70.950 0.437 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 75 69.748 0.806 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.221 -2.925 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.260 -3.290 -2.964 1.00 0.00 H new ATOM 0 HD13 ILE A 75 69.773 -2.078 -1.766 1.00 0.00 H new ATOM 1209 N ASP A 76 69.602 1.967 -6.044 1.00 0.00 N ATOM 1210 CA ASP A 76 70.507 2.674 -6.955 1.00 0.00 C ATOM 1211 C ASP A 76 71.846 2.918 -6.268 1.00 0.00 C ATOM 1212 O ASP A 76 71.888 3.313 -5.103 1.00 0.00 O ATOM 1213 CB ASP A 76 69.898 4.018 -7.356 1.00 0.00 C ATOM 1214 CG ASP A 76 68.599 3.798 -8.122 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.412 2.705 -8.630 1.00 0.00 O ATOM 1216 OD2 ASP A 76 67.810 4.727 -8.190 1.00 0.00 O ATOM 0 H ASP A 76 69.157 2.564 -5.347 1.00 0.00 H new ATOM 0 HA ASP A 76 70.658 2.062 -7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.707 4.619 -6.467 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.603 4.576 -7.973 1.00 0.00 H new ATOM 1221 N THR A 77 72.941 2.682 -6.985 1.00 0.00 N ATOM 1222 CA THR A 77 74.266 2.887 -6.412 1.00 0.00 C ATOM 1223 C THR A 77 74.480 4.360 -6.079 1.00 0.00 C ATOM 1224 O THR A 77 75.460 4.663 -5.421 1.00 0.00 O ATOM 1225 CB THR A 77 75.344 2.426 -7.395 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.622 2.791 -6.894 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.115 3.098 -8.750 1.00 0.00 C ATOM 1228 OXT THR A 77 73.663 5.165 -6.496 1.00 0.00 O ATOM 0 H THR A 77 72.938 2.353 -7.951 1.00 0.00 H new ATOM 0 HA THR A 77 74.338 2.300 -5.496 1.00 0.00 H new ATOM 0 HB THR A 77 75.295 1.344 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 77 76.516 3.454 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.882 2.771 -9.452 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.132 2.822 -9.132 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.168 4.180 -8.633 1.00 0.00 H new