USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 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 13 GLN : amide:sc= 0.841 K(o=1.8,f=-2.3) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -155:sc= 0.974 (180deg=0) USER MOD Single : A 1 MET CE :methyl -143:sc= -1.77 (180deg=-3.77!) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-8.94e-05) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 129:sc= 0.0133 USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.727 (180deg=-1.14) USER MOD Single : A 9 THR OG1 : rot 160:sc= 0.275 USER MOD Single : A 11 GLN : amide:sc= -0.902 K(o=-0.9,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.468 X(o=-0.47,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -144:sc= -14.4! (180deg=-19.3!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= -2.72! (180deg=-2.88!) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.237 (180deg=-0.846) USER MOD Single : A 46 GLN : amide:sc= -5.87 K(o=-5.9,f=-13!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 120:sc= -0.674 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.342 USER MOD Single : A 64 TYR OH : rot 153:sc= 1.24 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.11) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0699 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 47.898 6.093 -0.144 1.00 0.00 N ATOM 2 CA MET A 1 48.579 6.583 1.049 1.00 0.00 C ATOM 3 C MET A 1 49.906 7.246 0.678 1.00 0.00 C ATOM 4 O MET A 1 50.167 8.395 1.015 1.00 0.00 O ATOM 5 CB MET A 1 48.798 5.448 2.069 1.00 0.00 C ATOM 6 CG MET A 1 47.748 5.468 3.190 1.00 0.00 C ATOM 7 SD MET A 1 47.831 4.019 4.264 1.00 0.00 S ATOM 8 CE MET A 1 47.659 2.730 3.021 1.00 0.00 C ATOM 0 H1 MET A 1 46.991 5.661 0.126 1.00 0.00 H new ATOM 0 H2 MET A 1 47.724 6.886 -0.794 1.00 0.00 H new ATOM 0 H3 MET A 1 48.493 5.382 -0.616 1.00 0.00 H new ATOM 0 HA MET A 1 47.941 7.333 1.517 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.761 4.487 1.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.793 5.539 2.504 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.884 6.367 3.791 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.754 5.528 2.747 1.00 0.00 H new ATOM 0 HE1 MET A 1 47.061 1.913 3.424 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.167 3.139 2.139 1.00 0.00 H new ATOM 0 HE3 MET A 1 48.645 2.356 2.746 1.00 0.00 H new ATOM 20 N ALA A 2 50.717 6.439 -0.034 1.00 0.00 N ATOM 21 CA ALA A 2 52.039 6.884 -0.425 1.00 0.00 C ATOM 22 C ALA A 2 52.377 6.328 -1.812 1.00 0.00 C ATOM 23 O ALA A 2 51.656 5.503 -2.359 1.00 0.00 O ATOM 24 CB ALA A 2 53.022 6.387 0.622 1.00 0.00 C ATOM 0 H ALA A 2 50.473 5.496 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 2 52.088 7.971 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 2 54.030 6.706 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.756 6.799 1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 2 52.986 5.298 0.667 1.00 0.00 H new ATOM 30 N VAL A 3 53.517 6.835 -2.340 1.00 0.00 N ATOM 31 CA VAL A 3 53.959 6.457 -3.681 1.00 0.00 C ATOM 32 C VAL A 3 54.492 5.003 -3.653 1.00 0.00 C ATOM 33 O VAL A 3 54.220 4.245 -2.730 1.00 0.00 O ATOM 34 CB VAL A 3 54.992 7.485 -4.215 1.00 0.00 C ATOM 35 CG1 VAL A 3 54.603 8.955 -3.937 1.00 0.00 C ATOM 36 CG2 VAL A 3 56.424 7.202 -3.746 1.00 0.00 C ATOM 0 H VAL A 3 54.129 7.494 -1.859 1.00 0.00 H new ATOM 0 HA VAL A 3 53.123 6.478 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 3 54.970 7.349 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 3 55.371 9.617 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.648 9.175 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 3 54.515 9.111 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 3 57.096 7.957 -4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 3 56.463 7.232 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 3 56.732 6.216 -4.093 1.00 0.00 H new ATOM 46 N THR A 4 55.273 4.672 -4.705 1.00 0.00 N ATOM 47 CA THR A 4 55.921 3.372 -4.801 1.00 0.00 C ATOM 48 C THR A 4 57.456 3.525 -4.734 1.00 0.00 C ATOM 49 O THR A 4 58.021 4.607 -4.763 1.00 0.00 O ATOM 50 CB THR A 4 55.487 2.697 -6.113 1.00 0.00 C ATOM 51 OG1 THR A 4 54.198 3.134 -6.471 1.00 0.00 O ATOM 52 CG2 THR A 4 55.472 1.164 -6.010 1.00 0.00 C ATOM 0 H THR A 4 55.461 5.294 -5.491 1.00 0.00 H new ATOM 0 HA THR A 4 55.620 2.747 -3.961 1.00 0.00 H new ATOM 0 HB THR A 4 56.219 2.979 -6.870 1.00 0.00 H new ATOM 0 HG1 THR A 4 53.927 2.702 -7.308 1.00 0.00 H new ATOM 0 HG21 THR A 4 55.159 0.738 -6.963 1.00 0.00 H new ATOM 0 HG22 THR A 4 56.472 0.806 -5.764 1.00 0.00 H new ATOM 0 HG23 THR A 4 54.775 0.859 -5.230 1.00 0.00 H new ATOM 60 N ILE A 5 58.097 2.354 -4.650 1.00 0.00 N ATOM 61 CA ILE A 5 59.542 2.280 -4.559 1.00 0.00 C ATOM 62 C ILE A 5 59.959 1.042 -5.344 1.00 0.00 C ATOM 63 O ILE A 5 59.136 0.194 -5.623 1.00 0.00 O ATOM 64 CB ILE A 5 59.962 2.278 -3.062 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.390 3.696 -2.641 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.082 1.301 -2.773 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.483 3.757 -1.569 1.00 0.00 C ATOM 0 H ILE A 5 57.628 1.448 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 5 60.053 3.140 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 5 59.095 1.957 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 5 60.740 4.230 -3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.513 4.229 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.335 1.341 -1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 5 60.760 0.292 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 5 61.958 1.566 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 5 61.713 4.798 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 5 61.134 3.258 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.380 3.259 -1.936 1.00 0.00 H new ATOM 79 N THR A 6 61.265 0.984 -5.672 1.00 0.00 N ATOM 80 CA THR A 6 61.851 -0.201 -6.282 1.00 0.00 C ATOM 81 C THR A 6 63.230 -0.406 -5.645 1.00 0.00 C ATOM 82 O THR A 6 64.062 0.483 -5.693 1.00 0.00 O ATOM 83 CB THR A 6 61.958 0.009 -7.797 1.00 0.00 C ATOM 84 OG1 THR A 6 60.689 0.263 -8.347 1.00 0.00 O ATOM 85 CG2 THR A 6 62.536 -1.211 -8.523 1.00 0.00 C ATOM 0 H THR A 6 61.924 1.748 -5.521 1.00 0.00 H new ATOM 0 HA THR A 6 61.237 -1.086 -6.116 1.00 0.00 H new ATOM 0 HB THR A 6 62.629 0.857 -7.936 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.728 1.070 -8.901 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.589 -1.007 -9.592 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.536 -1.420 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 6 61.894 -2.075 -8.350 1.00 0.00 H new ATOM 93 N LEU A 7 63.436 -1.585 -5.019 1.00 0.00 N ATOM 94 CA LEU A 7 64.723 -1.897 -4.401 1.00 0.00 C ATOM 95 C LEU A 7 65.324 -3.120 -5.102 1.00 0.00 C ATOM 96 O LEU A 7 64.686 -3.757 -5.930 1.00 0.00 O ATOM 97 CB LEU A 7 64.581 -2.194 -2.906 1.00 0.00 C ATOM 98 CG LEU A 7 63.694 -1.239 -2.106 1.00 0.00 C ATOM 99 CD1 LEU A 7 63.922 0.246 -2.372 1.00 0.00 C ATOM 100 CD2 LEU A 7 62.226 -1.631 -2.201 1.00 0.00 C ATOM 0 H LEU A 7 62.734 -2.320 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 7 65.372 -1.028 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 7 64.185 -3.203 -2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 7 65.576 -2.191 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 7 64.014 -1.363 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 7 63.243 0.835 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 7 64.952 0.505 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 7 63.734 0.460 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 7 61.624 -0.931 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 7 61.909 -1.605 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 7 62.092 -2.638 -1.807 1.00 0.00 H new ATOM 112 N LYS A 8 66.585 -3.403 -4.707 1.00 0.00 N ATOM 113 CA LYS A 8 67.316 -4.498 -5.323 1.00 0.00 C ATOM 114 C LYS A 8 68.477 -4.917 -4.416 1.00 0.00 C ATOM 115 O LYS A 8 69.264 -4.099 -3.978 1.00 0.00 O ATOM 116 CB LYS A 8 67.845 -4.042 -6.694 1.00 0.00 C ATOM 117 CG LYS A 8 68.185 -5.224 -7.607 1.00 0.00 C ATOM 118 CD LYS A 8 68.321 -4.836 -9.084 1.00 0.00 C ATOM 119 CE LYS A 8 69.769 -4.675 -9.563 1.00 0.00 C ATOM 120 NZ LYS A 8 70.008 -5.469 -10.764 1.00 0.00 N ATOM 0 H LYS A 8 67.094 -2.896 -3.983 1.00 0.00 H new ATOM 0 HA LYS A 8 66.655 -5.354 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 8 67.098 -3.414 -7.179 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.734 -3.428 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.118 -5.676 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.409 -5.984 -7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.831 -5.595 -9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 8 67.789 -3.900 -9.252 1.00 0.00 H new ATOM 0 HE2 LYS A 8 69.974 -3.625 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 8 70.454 -4.985 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 71.030 -5.625 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 69.526 -6.386 -10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 69.639 -4.963 -11.594 1.00 0.00 H new ATOM 134 N THR A 9 68.561 -6.230 -4.157 1.00 0.00 N ATOM 135 CA THR A 9 69.655 -6.740 -3.337 1.00 0.00 C ATOM 136 C THR A 9 70.879 -7.016 -4.188 1.00 0.00 C ATOM 137 O THR A 9 71.225 -8.166 -4.436 1.00 0.00 O ATOM 138 CB THR A 9 69.216 -8.053 -2.710 1.00 0.00 C ATOM 139 OG1 THR A 9 68.658 -8.883 -3.700 1.00 0.00 O ATOM 140 CG2 THR A 9 68.205 -7.795 -1.621 1.00 0.00 C ATOM 0 H THR A 9 67.904 -6.934 -4.494 1.00 0.00 H new ATOM 0 HA THR A 9 69.902 -5.997 -2.579 1.00 0.00 H new ATOM 0 HB THR A 9 70.082 -8.549 -2.271 1.00 0.00 H new ATOM 0 HG1 THR A 9 68.671 -9.813 -3.392 1.00 0.00 H new ATOM 0 HG21 THR A 9 67.897 -8.742 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 9 68.651 -7.164 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 9 67.335 -7.292 -2.044 1.00 0.00 H new ATOM 148 N LEU A 10 71.511 -5.899 -4.614 1.00 0.00 N ATOM 149 CA LEU A 10 72.749 -5.950 -5.384 1.00 0.00 C ATOM 150 C LEU A 10 72.512 -6.326 -6.850 1.00 0.00 C ATOM 151 O LEU A 10 73.270 -5.889 -7.705 1.00 0.00 O ATOM 152 CB LEU A 10 73.833 -6.830 -4.702 1.00 0.00 C ATOM 153 CG LEU A 10 74.903 -6.091 -3.871 1.00 0.00 C ATOM 154 CD1 LEU A 10 74.456 -4.728 -3.345 1.00 0.00 C ATOM 155 CD2 LEU A 10 75.352 -6.954 -2.687 1.00 0.00 C ATOM 0 H LEU A 10 71.173 -4.954 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 10 73.148 -4.936 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 10 73.331 -7.545 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 10 74.341 -7.405 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 10 75.728 -5.912 -4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.266 -4.276 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 10 74.199 -4.081 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 10 73.584 -4.854 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.107 -6.418 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 10 74.495 -7.171 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.774 -7.888 -3.057 1.00 0.00 H new ATOM 167 N GLN A 11 71.453 -7.141 -7.089 1.00 0.00 N ATOM 168 CA GLN A 11 71.134 -7.693 -8.397 1.00 0.00 C ATOM 169 C GLN A 11 70.205 -8.888 -8.259 1.00 0.00 C ATOM 170 O GLN A 11 69.183 -8.945 -8.933 1.00 0.00 O ATOM 171 CB GLN A 11 72.388 -8.031 -9.216 1.00 0.00 C ATOM 172 CG GLN A 11 72.145 -8.938 -10.429 1.00 0.00 C ATOM 173 CD GLN A 11 73.466 -9.418 -11.044 1.00 0.00 C ATOM 174 OE1 GLN A 11 73.569 -10.544 -11.513 1.00 0.00 O ATOM 175 NE2 GLN A 11 74.467 -8.519 -10.992 1.00 0.00 N ATOM 0 H GLN A 11 70.800 -7.426 -6.360 1.00 0.00 H new ATOM 0 HA GLN A 11 70.610 -6.920 -8.960 1.00 0.00 H new ATOM 0 HB2 GLN A 11 72.840 -7.101 -9.561 1.00 0.00 H new ATOM 0 HB3 GLN A 11 73.113 -8.513 -8.560 1.00 0.00 H new ATOM 0 HG2 GLN A 11 71.548 -9.799 -10.127 1.00 0.00 H new ATOM 0 HG3 GLN A 11 71.568 -8.397 -11.179 1.00 0.00 H new ATOM 0 HE21 GLN A 11 74.305 -7.598 -10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 11 75.388 -8.759 -11.360 1.00 0.00 H new ATOM 184 N GLN A 12 70.634 -9.832 -7.385 1.00 0.00 N ATOM 185 CA GLN A 12 69.950 -11.112 -7.184 1.00 0.00 C ATOM 186 C GLN A 12 68.416 -10.980 -7.313 1.00 0.00 C ATOM 187 O GLN A 12 67.814 -11.458 -8.265 1.00 0.00 O ATOM 188 CB GLN A 12 70.368 -11.704 -5.822 1.00 0.00 C ATOM 189 CG GLN A 12 69.437 -12.820 -5.309 1.00 0.00 C ATOM 190 CD GLN A 12 69.780 -13.230 -3.874 1.00 0.00 C ATOM 191 OE1 GLN A 12 70.768 -13.905 -3.619 1.00 0.00 O ATOM 192 NE2 GLN A 12 68.888 -12.789 -2.964 1.00 0.00 N ATOM 0 H GLN A 12 71.465 -9.717 -6.805 1.00 0.00 H new ATOM 0 HA GLN A 12 70.254 -11.799 -7.974 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.380 -12.100 -5.905 1.00 0.00 H new ATOM 0 HB3 GLN A 12 70.398 -10.903 -5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 12 68.403 -12.479 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 12 69.515 -13.688 -5.964 1.00 0.00 H new ATOM 0 HE21 GLN A 12 68.089 -12.230 -3.263 1.00 0.00 H new ATOM 0 HE22 GLN A 12 69.012 -13.015 -1.977 1.00 0.00 H new ATOM 201 N GLN A 13 67.853 -10.291 -6.297 1.00 0.00 N ATOM 202 CA GLN A 13 66.417 -10.066 -6.226 1.00 0.00 C ATOM 203 C GLN A 13 66.141 -8.585 -6.457 1.00 0.00 C ATOM 204 O GLN A 13 66.948 -7.730 -6.128 1.00 0.00 O ATOM 205 CB GLN A 13 65.866 -10.493 -4.858 1.00 0.00 C ATOM 206 CG GLN A 13 65.660 -12.013 -4.758 1.00 0.00 C ATOM 207 CD GLN A 13 64.532 -12.343 -3.778 1.00 0.00 C ATOM 208 OE1 GLN A 13 64.747 -12.536 -2.588 1.00 0.00 O ATOM 209 NE2 GLN A 13 63.324 -12.393 -4.367 1.00 0.00 N ATOM 0 H GLN A 13 68.380 -9.887 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 13 65.922 -10.663 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 13 66.553 -10.170 -4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 13 64.917 -9.988 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 13 65.424 -12.418 -5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 13 66.584 -12.489 -4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 13 63.237 -12.218 -5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 13 62.495 -12.606 -3.813 1.00 0.00 H new ATOM 218 N THR A 14 64.943 -8.364 -7.044 1.00 0.00 N ATOM 219 CA THR A 14 64.477 -7.023 -7.367 1.00 0.00 C ATOM 220 C THR A 14 62.973 -6.947 -7.070 1.00 0.00 C ATOM 221 O THR A 14 62.169 -7.643 -7.677 1.00 0.00 O ATOM 222 CB THR A 14 64.754 -6.702 -8.852 1.00 0.00 C ATOM 223 OG1 THR A 14 65.815 -7.491 -9.336 1.00 0.00 O ATOM 224 CG2 THR A 14 65.062 -5.216 -9.081 1.00 0.00 C ATOM 0 H THR A 14 64.291 -9.106 -7.298 1.00 0.00 H new ATOM 0 HA THR A 14 65.009 -6.288 -6.762 1.00 0.00 H new ATOM 0 HB THR A 14 63.843 -6.937 -9.403 1.00 0.00 H new ATOM 0 HG1 THR A 14 65.978 -7.278 -10.279 1.00 0.00 H new ATOM 0 HG21 THR A 14 65.249 -5.042 -10.141 1.00 0.00 H new ATOM 0 HG22 THR A 14 64.212 -4.614 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 14 65.944 -4.934 -8.506 1.00 0.00 H new ATOM 232 N PHE A 15 62.657 -6.064 -6.103 1.00 0.00 N ATOM 233 CA PHE A 15 61.282 -5.870 -5.657 1.00 0.00 C ATOM 234 C PHE A 15 60.989 -4.367 -5.587 1.00 0.00 C ATOM 235 O PHE A 15 61.742 -3.544 -6.087 1.00 0.00 O ATOM 236 CB PHE A 15 61.073 -6.605 -4.320 1.00 0.00 C ATOM 237 CG PHE A 15 62.271 -6.526 -3.411 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.506 -5.388 -2.655 1.00 0.00 C ATOM 239 CD2 PHE A 15 63.140 -7.607 -3.287 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.574 -5.347 -1.768 1.00 0.00 C ATOM 241 CE2 PHE A 15 64.197 -7.570 -2.391 1.00 0.00 C ATOM 242 CZ PHE A 15 64.412 -6.437 -1.628 1.00 0.00 C ATOM 0 H PHE A 15 63.341 -5.479 -5.622 1.00 0.00 H new ATOM 0 HA PHE A 15 60.569 -6.299 -6.361 1.00 0.00 H new ATOM 0 HB2 PHE A 15 60.208 -6.181 -3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 15 60.844 -7.652 -4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 15 61.857 -4.531 -2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 15 62.988 -8.485 -3.897 1.00 0.00 H new ATOM 0 HE1 PHE A 15 63.751 -4.456 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 15 64.851 -8.424 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 15 65.232 -6.404 -0.925 1.00 0.00 H new ATOM 252 N LYS A 16 59.832 -4.088 -4.955 1.00 0.00 N ATOM 253 CA LYS A 16 59.289 -2.749 -4.822 1.00 0.00 C ATOM 254 C LYS A 16 58.371 -2.703 -3.597 1.00 0.00 C ATOM 255 O LYS A 16 57.847 -3.720 -3.161 1.00 0.00 O ATOM 256 CB LYS A 16 58.499 -2.363 -6.087 1.00 0.00 C ATOM 257 CG LYS A 16 57.718 -3.491 -6.776 1.00 0.00 C ATOM 258 CD LYS A 16 56.245 -3.121 -7.011 1.00 0.00 C ATOM 259 CE LYS A 16 55.313 -3.830 -6.020 1.00 0.00 C ATOM 260 NZ LYS A 16 54.622 -4.944 -6.651 1.00 0.00 N ATOM 0 H LYS A 16 59.251 -4.806 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 16 60.106 -2.038 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.796 -1.573 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.197 -1.940 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 16 58.188 -3.725 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 16 57.771 -4.392 -6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 16 56.122 -2.042 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 16 55.962 -3.386 -8.030 1.00 0.00 H new ATOM 0 HE2 LYS A 16 55.890 -4.192 -5.169 1.00 0.00 H new ATOM 0 HE3 LYS A 16 54.583 -3.120 -5.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 53.999 -5.404 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 54.053 -4.593 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 55.319 -5.632 -7.000 1.00 0.00 H new ATOM 274 N ILE A 17 58.227 -1.461 -3.068 1.00 0.00 N ATOM 275 CA ILE A 17 57.444 -1.257 -1.849 1.00 0.00 C ATOM 276 C ILE A 17 56.554 -0.022 -2.009 1.00 0.00 C ATOM 277 O ILE A 17 56.837 0.864 -2.796 1.00 0.00 O ATOM 278 CB ILE A 17 58.376 -1.070 -0.646 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.467 -2.153 -0.589 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.576 -1.039 0.651 1.00 0.00 C ATOM 281 CD1 ILE A 17 59.015 -3.562 -0.204 1.00 0.00 C ATOM 0 H ILE A 17 58.636 -0.614 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 17 56.820 -2.134 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 17 58.880 -0.111 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 17 59.947 -2.205 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.228 -1.833 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.254 -0.906 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 17 56.867 -0.212 0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 17 57.034 -1.978 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 17 59.875 -4.232 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.566 -3.541 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.281 -3.919 -0.927 1.00 0.00 H new ATOM 293 N ARG A 18 55.470 -0.017 -1.206 1.00 0.00 N ATOM 294 CA ARG A 18 54.517 1.080 -1.216 1.00 0.00 C ATOM 295 C ARG A 18 54.743 2.030 -0.024 1.00 0.00 C ATOM 296 O ARG A 18 53.936 2.113 0.894 1.00 0.00 O ATOM 297 CB ARG A 18 53.111 0.489 -1.137 1.00 0.00 C ATOM 298 CG ARG A 18 52.055 1.457 -1.679 1.00 0.00 C ATOM 299 CD ARG A 18 50.811 1.510 -0.795 1.00 0.00 C ATOM 300 NE ARG A 18 49.637 1.764 -1.617 1.00 0.00 N ATOM 301 CZ ARG A 18 48.412 1.875 -1.066 1.00 0.00 C ATOM 302 NH1 ARG A 18 48.253 1.786 0.246 1.00 0.00 N ATOM 303 NH2 ARG A 18 47.351 2.071 -1.837 1.00 0.00 N ATOM 0 H ARG A 18 55.245 -0.764 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 18 54.647 1.658 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 18 53.076 -0.442 -1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 18 52.879 0.241 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.486 2.455 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.770 1.154 -2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 18 50.694 0.569 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.919 2.294 -0.045 1.00 0.00 H new ATOM 0 HE ARG A 18 49.743 1.860 -2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 18 49.062 1.632 0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 18 47.322 1.871 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 18 47.461 2.138 -2.849 1.00 0.00 H new ATOM 0 HH22 ARG A 18 46.425 2.155 -1.418 1.00 0.00 H new ATOM 317 N MET A 19 55.878 2.748 -0.104 1.00 0.00 N ATOM 318 CA MET A 19 56.226 3.705 0.940 1.00 0.00 C ATOM 319 C MET A 19 56.019 5.140 0.437 1.00 0.00 C ATOM 320 O MET A 19 55.527 5.348 -0.663 1.00 0.00 O ATOM 321 CB MET A 19 57.688 3.506 1.272 1.00 0.00 C ATOM 322 CG MET A 19 58.601 3.856 0.091 1.00 0.00 C ATOM 323 SD MET A 19 59.664 5.253 0.487 1.00 0.00 S ATOM 324 CE MET A 19 60.560 4.432 1.801 1.00 0.00 C ATOM 0 H MET A 19 56.552 2.681 -0.867 1.00 0.00 H new ATOM 0 HA MET A 19 55.596 3.549 1.815 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.952 4.125 2.129 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.855 2.469 1.564 1.00 0.00 H new ATOM 0 HG2 MET A 19 59.212 2.992 -0.169 1.00 0.00 H new ATOM 0 HG3 MET A 19 57.995 4.092 -0.784 1.00 0.00 H new ATOM 0 HE1 MET A 19 60.786 5.149 2.590 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.951 3.625 2.208 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.490 4.022 1.406 1.00 0.00 H new ATOM 334 N GLU A 20 56.453 6.104 1.292 1.00 0.00 N ATOM 335 CA GLU A 20 56.294 7.526 0.991 1.00 0.00 C ATOM 336 C GLU A 20 57.668 8.210 0.872 1.00 0.00 C ATOM 337 O GLU A 20 58.552 7.968 1.677 1.00 0.00 O ATOM 338 CB GLU A 20 55.453 8.185 2.100 1.00 0.00 C ATOM 339 CG GLU A 20 54.683 9.420 1.590 1.00 0.00 C ATOM 340 CD GLU A 20 54.222 10.387 2.694 1.00 0.00 C ATOM 341 OE1 GLU A 20 54.448 10.116 3.874 1.00 0.00 O ATOM 342 OE2 GLU A 20 53.646 11.419 2.353 1.00 0.00 O ATOM 0 H GLU A 20 56.910 5.911 2.183 1.00 0.00 H new ATOM 0 HA GLU A 20 55.782 7.639 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.746 7.457 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 20 56.105 8.479 2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 20 55.317 9.964 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 20 53.809 9.083 1.032 1.00 0.00 H new ATOM 349 N PRO A 21 57.857 9.109 -0.137 1.00 0.00 N ATOM 350 CA PRO A 21 59.121 9.832 -0.257 1.00 0.00 C ATOM 351 C PRO A 21 59.474 10.763 0.917 1.00 0.00 C ATOM 352 O PRO A 21 60.572 11.293 0.992 1.00 0.00 O ATOM 353 CB PRO A 21 58.960 10.677 -1.529 1.00 0.00 C ATOM 354 CG PRO A 21 57.829 10.011 -2.294 1.00 0.00 C ATOM 355 CD PRO A 21 56.929 9.417 -1.218 1.00 0.00 C ATOM 0 HA PRO A 21 59.935 9.107 -0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 21 58.719 11.713 -1.289 1.00 0.00 H new ATOM 0 HB3 PRO A 21 59.880 10.691 -2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.289 10.731 -2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 21 58.206 9.239 -2.965 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.162 10.123 -0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.414 8.524 -1.572 1.00 0.00 H new ATOM 363 N ASP A 22 58.483 10.926 1.822 1.00 0.00 N ATOM 364 CA ASP A 22 58.645 11.803 2.971 1.00 0.00 C ATOM 365 C ASP A 22 59.149 11.039 4.200 1.00 0.00 C ATOM 366 O ASP A 22 59.767 11.625 5.080 1.00 0.00 O ATOM 367 CB ASP A 22 57.305 12.478 3.295 1.00 0.00 C ATOM 368 CG ASP A 22 56.851 13.452 2.188 1.00 0.00 C ATOM 369 OD1 ASP A 22 57.698 14.008 1.488 1.00 0.00 O ATOM 370 OD2 ASP A 22 55.646 13.651 2.042 1.00 0.00 O ATOM 0 H ASP A 22 57.577 10.461 1.768 1.00 0.00 H new ATOM 0 HA ASP A 22 59.391 12.556 2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 22 56.542 11.713 3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 22 57.393 13.019 4.237 1.00 0.00 H new ATOM 375 N GLU A 23 58.869 9.714 4.219 1.00 0.00 N ATOM 376 CA GLU A 23 59.309 8.909 5.352 1.00 0.00 C ATOM 377 C GLU A 23 60.845 8.861 5.414 1.00 0.00 C ATOM 378 O GLU A 23 61.527 9.226 4.465 1.00 0.00 O ATOM 379 CB GLU A 23 58.734 7.493 5.257 1.00 0.00 C ATOM 380 CG GLU A 23 59.406 6.614 4.188 1.00 0.00 C ATOM 381 CD GLU A 23 59.542 5.201 4.701 1.00 0.00 C ATOM 382 OE1 GLU A 23 60.372 4.956 5.560 1.00 0.00 O ATOM 383 OE2 GLU A 23 58.801 4.352 4.243 1.00 0.00 O ATOM 0 H GLU A 23 58.363 9.210 3.491 1.00 0.00 H new ATOM 0 HA GLU A 23 58.941 9.372 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 23 58.833 7.006 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 23 57.668 7.559 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 23 58.815 6.623 3.272 1.00 0.00 H new ATOM 0 HG3 GLU A 23 60.388 7.016 3.938 1.00 0.00 H new ATOM 390 N THR A 24 61.330 8.372 6.575 1.00 0.00 N ATOM 391 CA THR A 24 62.768 8.302 6.798 1.00 0.00 C ATOM 392 C THR A 24 63.384 6.962 6.363 1.00 0.00 C ATOM 393 O THR A 24 64.444 6.604 6.844 1.00 0.00 O ATOM 394 CB THR A 24 63.132 8.653 8.255 1.00 0.00 C ATOM 395 OG1 THR A 24 62.039 8.482 9.121 1.00 0.00 O ATOM 396 CG2 THR A 24 63.664 10.079 8.381 1.00 0.00 C ATOM 0 H THR A 24 60.756 8.031 7.346 1.00 0.00 H new ATOM 0 HA THR A 24 63.213 9.059 6.152 1.00 0.00 H new ATOM 0 HB THR A 24 63.921 7.960 8.546 1.00 0.00 H new ATOM 0 HG1 THR A 24 62.307 8.712 10.035 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.908 10.285 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.560 10.188 7.770 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.904 10.782 8.040 1.00 0.00 H new ATOM 404 N VAL A 25 62.733 6.249 5.429 1.00 0.00 N ATOM 405 CA VAL A 25 63.240 4.951 4.964 1.00 0.00 C ATOM 406 C VAL A 25 62.984 3.818 5.990 1.00 0.00 C ATOM 407 O VAL A 25 62.882 2.666 5.615 1.00 0.00 O ATOM 408 CB VAL A 25 64.734 4.975 4.554 1.00 0.00 C ATOM 409 CG1 VAL A 25 65.167 3.667 3.882 1.00 0.00 C ATOM 410 CG2 VAL A 25 65.097 6.170 3.662 1.00 0.00 C ATOM 0 H VAL A 25 61.864 6.547 4.986 1.00 0.00 H new ATOM 0 HA VAL A 25 62.666 4.739 4.062 1.00 0.00 H new ATOM 0 HB VAL A 25 65.285 5.086 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.221 3.729 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 25 65.017 2.837 4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.571 3.505 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 25 66.157 6.128 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.505 6.134 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.887 7.098 4.194 1.00 0.00 H new ATOM 420 N LYS A 26 62.868 4.166 7.288 1.00 0.00 N ATOM 421 CA LYS A 26 62.637 3.151 8.309 1.00 0.00 C ATOM 422 C LYS A 26 61.419 2.269 8.049 1.00 0.00 C ATOM 423 O LYS A 26 61.470 1.057 8.185 1.00 0.00 O ATOM 424 CB LYS A 26 62.447 3.794 9.678 1.00 0.00 C ATOM 425 CG LYS A 26 62.436 2.758 10.803 1.00 0.00 C ATOM 426 CD LYS A 26 63.023 3.324 12.095 1.00 0.00 C ATOM 427 CE LYS A 26 63.260 2.228 13.132 1.00 0.00 C ATOM 428 NZ LYS A 26 63.441 2.770 14.469 1.00 0.00 N ATOM 0 H LYS A 26 62.930 5.122 7.638 1.00 0.00 H new ATOM 0 HA LYS A 26 63.527 2.522 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.247 4.512 9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.510 4.351 9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 26 61.413 2.426 10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.007 1.881 10.497 1.00 0.00 H new ATOM 0 HD2 LYS A 26 63.964 3.829 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 26 62.346 4.074 12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 26 62.414 1.540 13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 26 64.141 1.650 12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 63.599 1.992 15.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 64.263 3.407 14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 62.590 3.300 14.747 1.00 0.00 H new ATOM 442 N VAL A 27 60.328 2.955 7.668 1.00 0.00 N ATOM 443 CA VAL A 27 59.113 2.241 7.300 1.00 0.00 C ATOM 444 C VAL A 27 59.414 1.227 6.187 1.00 0.00 C ATOM 445 O VAL A 27 58.952 0.103 6.232 1.00 0.00 O ATOM 446 CB VAL A 27 58.002 3.242 6.917 1.00 0.00 C ATOM 447 CG1 VAL A 27 57.107 2.787 5.745 1.00 0.00 C ATOM 448 CG2 VAL A 27 57.141 3.632 8.111 1.00 0.00 C ATOM 0 H VAL A 27 60.269 3.972 7.610 1.00 0.00 H new ATOM 0 HA VAL A 27 58.745 1.674 8.155 1.00 0.00 H new ATOM 0 HB VAL A 27 58.546 4.120 6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 27 56.355 3.550 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.720 2.638 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.613 1.851 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.374 4.337 7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.666 2.742 8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 27 57.766 4.096 8.874 1.00 0.00 H new ATOM 458 N LEU A 28 60.225 1.673 5.207 1.00 0.00 N ATOM 459 CA LEU A 28 60.584 0.799 4.100 1.00 0.00 C ATOM 460 C LEU A 28 61.278 -0.467 4.567 1.00 0.00 C ATOM 461 O LEU A 28 61.060 -1.548 4.043 1.00 0.00 O ATOM 462 CB LEU A 28 61.567 1.520 3.190 1.00 0.00 C ATOM 463 CG LEU A 28 61.932 0.757 1.938 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.726 0.487 1.070 1.00 0.00 C ATOM 465 CD2 LEU A 28 63.036 1.433 1.147 1.00 0.00 C ATOM 0 H LEU A 28 60.629 2.609 5.168 1.00 0.00 H new ATOM 0 HA LEU A 28 59.656 0.539 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.141 2.481 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.477 1.729 3.752 1.00 0.00 H new ATOM 0 HG LEU A 28 62.321 -0.205 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 28 61.034 -0.063 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 28 60.000 -0.103 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.273 1.433 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.260 0.844 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.712 2.430 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 28 63.931 1.511 1.765 1.00 0.00 H new ATOM 477 N LYS A 29 62.134 -0.247 5.579 1.00 0.00 N ATOM 478 CA LYS A 29 62.848 -1.351 6.171 1.00 0.00 C ATOM 479 C LYS A 29 61.847 -2.413 6.657 1.00 0.00 C ATOM 480 O LYS A 29 62.056 -3.599 6.474 1.00 0.00 O ATOM 481 CB LYS A 29 63.716 -0.837 7.317 1.00 0.00 C ATOM 482 CG LYS A 29 64.703 0.285 6.947 1.00 0.00 C ATOM 483 CD LYS A 29 66.123 -0.217 6.731 1.00 0.00 C ATOM 484 CE LYS A 29 67.235 0.759 7.148 1.00 0.00 C ATOM 485 NZ LYS A 29 67.615 0.643 8.551 1.00 0.00 N ATOM 0 H LYS A 29 62.334 0.667 5.984 1.00 0.00 H new ATOM 0 HA LYS A 29 63.499 -1.816 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 29 63.063 -0.475 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.281 -1.675 7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.357 0.781 6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.705 1.034 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 29 66.251 -1.146 7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 29 66.250 -0.457 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 29 68.113 0.584 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.904 1.779 6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.356 1.340 8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 66.785 0.821 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 67.976 -0.315 8.735 1.00 0.00 H new ATOM 499 N GLU A 30 60.733 -1.909 7.241 1.00 0.00 N ATOM 500 CA GLU A 30 59.681 -2.783 7.754 1.00 0.00 C ATOM 501 C GLU A 30 59.024 -3.623 6.644 1.00 0.00 C ATOM 502 O GLU A 30 58.718 -4.790 6.841 1.00 0.00 O ATOM 503 CB GLU A 30 58.617 -1.972 8.512 1.00 0.00 C ATOM 504 CG GLU A 30 59.200 -1.231 9.724 1.00 0.00 C ATOM 505 CD GLU A 30 58.080 -0.599 10.568 1.00 0.00 C ATOM 506 OE1 GLU A 30 57.354 -1.341 11.229 1.00 0.00 O ATOM 507 OE2 GLU A 30 57.946 0.625 10.558 1.00 0.00 O ATOM 0 H GLU A 30 60.552 -0.912 7.362 1.00 0.00 H new ATOM 0 HA GLU A 30 60.158 -3.477 8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 30 58.162 -1.251 7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 30 57.824 -2.641 8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 30 59.776 -1.924 10.337 1.00 0.00 H new ATOM 0 HG3 GLU A 30 59.888 -0.456 9.386 1.00 0.00 H new ATOM 514 N LYS A 31 58.833 -2.968 5.481 1.00 0.00 N ATOM 515 CA LYS A 31 58.168 -3.621 4.358 1.00 0.00 C ATOM 516 C LYS A 31 59.054 -4.680 3.690 1.00 0.00 C ATOM 517 O LYS A 31 58.651 -5.819 3.523 1.00 0.00 O ATOM 518 CB LYS A 31 57.809 -2.577 3.313 1.00 0.00 C ATOM 519 CG LYS A 31 56.457 -1.895 3.530 1.00 0.00 C ATOM 520 CD LYS A 31 56.314 -1.298 4.924 1.00 0.00 C ATOM 521 CE LYS A 31 55.192 -0.269 5.037 1.00 0.00 C ATOM 522 NZ LYS A 31 55.138 0.639 3.893 1.00 0.00 N ATOM 0 H LYS A 31 59.126 -2.007 5.305 1.00 0.00 H new ATOM 0 HA LYS A 31 57.280 -4.115 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.587 -1.814 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.809 -3.050 2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.329 -1.107 2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.659 -2.620 3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.131 -2.102 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.256 -0.828 5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 31 54.238 -0.788 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 31 55.328 0.311 5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 54.628 1.505 4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 56.105 0.884 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 54.642 0.175 3.105 1.00 0.00 H new ATOM 536 N ILE A 32 60.266 -4.236 3.298 1.00 0.00 N ATOM 537 CA ILE A 32 61.240 -5.129 2.676 1.00 0.00 C ATOM 538 C ILE A 32 61.552 -6.331 3.572 1.00 0.00 C ATOM 539 O ILE A 32 61.718 -7.447 3.102 1.00 0.00 O ATOM 540 CB ILE A 32 62.528 -4.349 2.364 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.299 -3.424 1.182 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.711 -5.259 2.045 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.215 -2.213 1.199 1.00 0.00 C ATOM 0 H ILE A 32 60.583 -3.272 3.404 1.00 0.00 H new ATOM 0 HA ILE A 32 60.811 -5.511 1.750 1.00 0.00 H new ATOM 0 HB ILE A 32 62.772 -3.783 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 32 62.454 -3.979 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.262 -3.090 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.591 -4.651 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.913 -5.905 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.475 -5.871 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 32 63.007 -1.587 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.043 -1.639 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.254 -2.542 1.169 1.00 0.00 H new ATOM 555 N GLU A 33 61.620 -6.028 4.882 1.00 0.00 N ATOM 556 CA GLU A 33 61.868 -7.079 5.854 1.00 0.00 C ATOM 557 C GLU A 33 60.648 -7.990 5.994 1.00 0.00 C ATOM 558 O GLU A 33 60.768 -9.165 6.282 1.00 0.00 O ATOM 559 CB GLU A 33 62.200 -6.458 7.208 1.00 0.00 C ATOM 560 CG GLU A 33 62.803 -7.444 8.216 1.00 0.00 C ATOM 561 CD GLU A 33 61.780 -7.967 9.236 1.00 0.00 C ATOM 562 OE1 GLU A 33 61.179 -7.151 9.932 1.00 0.00 O ATOM 563 OE2 GLU A 33 61.598 -9.178 9.334 1.00 0.00 O ATOM 0 H GLU A 33 61.509 -5.092 5.271 1.00 0.00 H new ATOM 0 HA GLU A 33 62.710 -7.678 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.899 -5.636 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.292 -6.030 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 33 63.233 -8.288 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.620 -6.956 8.748 1.00 0.00 H new ATOM 570 N ALA A 34 59.464 -7.397 5.766 1.00 0.00 N ATOM 571 CA ALA A 34 58.244 -8.193 5.791 1.00 0.00 C ATOM 572 C ALA A 34 58.130 -9.106 4.556 1.00 0.00 C ATOM 573 O ALA A 34 57.513 -10.162 4.606 1.00 0.00 O ATOM 574 CB ALA A 34 57.031 -7.266 5.889 1.00 0.00 C ATOM 0 H ALA A 34 59.335 -6.404 5.570 1.00 0.00 H new ATOM 0 HA ALA A 34 58.278 -8.842 6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.118 -7.862 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.097 -6.675 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 34 57.012 -6.600 5.027 1.00 0.00 H new ATOM 580 N GLU A 35 58.766 -8.646 3.459 1.00 0.00 N ATOM 581 CA GLU A 35 58.767 -9.403 2.220 1.00 0.00 C ATOM 582 C GLU A 35 59.687 -10.622 2.363 1.00 0.00 C ATOM 583 O GLU A 35 59.324 -11.738 2.012 1.00 0.00 O ATOM 584 CB GLU A 35 59.218 -8.471 1.087 1.00 0.00 C ATOM 585 CG GLU A 35 59.597 -9.206 -0.211 1.00 0.00 C ATOM 586 CD GLU A 35 60.506 -8.391 -1.124 1.00 0.00 C ATOM 587 OE1 GLU A 35 60.776 -7.222 -0.839 1.00 0.00 O ATOM 588 OE2 GLU A 35 60.941 -8.965 -2.116 1.00 0.00 O ATOM 0 H GLU A 35 59.276 -7.763 3.419 1.00 0.00 H new ATOM 0 HA GLU A 35 57.770 -9.776 1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.418 -7.763 0.872 1.00 0.00 H new ATOM 0 HB3 GLU A 35 60.075 -7.890 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 35 60.094 -10.143 0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.687 -9.464 -0.753 1.00 0.00 H new ATOM 595 N LYS A 36 60.898 -10.326 2.876 1.00 0.00 N ATOM 596 CA LYS A 36 61.924 -11.347 2.966 1.00 0.00 C ATOM 597 C LYS A 36 61.956 -11.970 4.366 1.00 0.00 C ATOM 598 O LYS A 36 61.684 -13.150 4.544 1.00 0.00 O ATOM 599 CB LYS A 36 63.269 -10.739 2.568 1.00 0.00 C ATOM 600 CG LYS A 36 63.906 -11.468 1.371 1.00 0.00 C ATOM 601 CD LYS A 36 63.896 -12.995 1.449 1.00 0.00 C ATOM 602 CE LYS A 36 65.121 -13.634 0.776 1.00 0.00 C ATOM 603 NZ LYS A 36 64.771 -14.415 -0.396 1.00 0.00 N ATOM 0 H LYS A 36 61.172 -9.407 3.223 1.00 0.00 H new ATOM 0 HA LYS A 36 61.698 -12.159 2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.131 -9.687 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 36 63.949 -10.778 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 36 63.384 -11.165 0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 36 64.939 -11.133 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 36 63.861 -13.301 2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 36 62.989 -13.372 0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 36 65.823 -12.851 0.490 1.00 0.00 H new ATOM 0 HE3 LYS A 36 65.633 -14.274 1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 65.499 -15.139 -0.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 63.852 -14.877 -0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 64.711 -13.790 -1.225 1.00 0.00 H new ATOM 617 N GLY A 37 62.312 -11.102 5.331 1.00 0.00 N ATOM 618 CA GLY A 37 62.364 -11.499 6.730 1.00 0.00 C ATOM 619 C GLY A 37 63.570 -10.855 7.398 1.00 0.00 C ATOM 620 O GLY A 37 64.369 -10.168 6.774 1.00 0.00 O ATOM 0 H GLY A 37 62.565 -10.129 5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.449 -11.196 7.239 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.428 -12.584 6.809 1.00 0.00 H new ATOM 624 N ARG A 38 63.645 -11.147 8.712 1.00 0.00 N ATOM 625 CA ARG A 38 64.753 -10.680 9.537 1.00 0.00 C ATOM 626 C ARG A 38 66.008 -11.554 9.344 1.00 0.00 C ATOM 627 O ARG A 38 66.985 -11.406 10.066 1.00 0.00 O ATOM 628 CB ARG A 38 64.355 -10.705 11.022 1.00 0.00 C ATOM 629 CG ARG A 38 63.637 -12.002 11.433 1.00 0.00 C ATOM 630 CD ARG A 38 63.798 -12.321 12.924 1.00 0.00 C ATOM 631 NE ARG A 38 62.554 -12.076 13.641 1.00 0.00 N ATOM 632 CZ ARG A 38 62.515 -11.973 14.988 1.00 0.00 C ATOM 633 NH1 ARG A 38 63.626 -12.059 15.717 1.00 0.00 N ATOM 634 NH2 ARG A 38 61.348 -11.783 15.594 1.00 0.00 N ATOM 0 H ARG A 38 62.951 -11.701 9.213 1.00 0.00 H new ATOM 0 HA ARG A 38 64.984 -9.661 9.227 1.00 0.00 H new ATOM 0 HB2 ARG A 38 65.249 -10.582 11.634 1.00 0.00 H new ATOM 0 HB3 ARG A 38 63.706 -9.855 11.232 1.00 0.00 H new ATOM 0 HG2 ARG A 38 62.576 -11.916 11.197 1.00 0.00 H new ATOM 0 HG3 ARG A 38 64.028 -12.831 10.844 1.00 0.00 H new ATOM 0 HD2 ARG A 38 64.096 -13.362 13.048 1.00 0.00 H new ATOM 0 HD3 ARG A 38 64.594 -11.709 13.348 1.00 0.00 H new ATOM 0 HE ARG A 38 61.688 -11.979 13.111 1.00 0.00 H new ATOM 0 HH11 ARG A 38 64.526 -12.205 15.260 1.00 0.00 H new ATOM 0 HH12 ARG A 38 63.577 -11.979 16.733 1.00 0.00 H new ATOM 0 HH21 ARG A 38 60.492 -11.716 15.043 1.00 0.00 H new ATOM 0 HH22 ARG A 38 61.308 -11.704 16.610 1.00 0.00 H new ATOM 648 N ASP A 39 65.928 -12.471 8.356 1.00 0.00 N ATOM 649 CA ASP A 39 67.058 -13.319 8.007 1.00 0.00 C ATOM 650 C ASP A 39 67.686 -12.842 6.702 1.00 0.00 C ATOM 651 O ASP A 39 68.888 -12.953 6.497 1.00 0.00 O ATOM 652 CB ASP A 39 66.583 -14.784 7.879 1.00 0.00 C ATOM 653 CG ASP A 39 67.180 -15.721 8.951 1.00 0.00 C ATOM 654 OD1 ASP A 39 68.228 -15.411 9.520 1.00 0.00 O ATOM 655 OD2 ASP A 39 66.586 -16.768 9.203 1.00 0.00 O ATOM 0 H ASP A 39 65.091 -12.633 7.796 1.00 0.00 H new ATOM 0 HA ASP A 39 67.812 -13.260 8.792 1.00 0.00 H new ATOM 0 HB2 ASP A 39 65.496 -14.812 7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 39 66.850 -15.159 6.891 1.00 0.00 H new ATOM 660 N ALA A 40 66.803 -12.308 5.836 1.00 0.00 N ATOM 661 CA ALA A 40 67.281 -11.822 4.560 1.00 0.00 C ATOM 662 C ALA A 40 67.758 -10.378 4.713 1.00 0.00 C ATOM 663 O ALA A 40 68.925 -10.076 4.495 1.00 0.00 O ATOM 664 CB ALA A 40 66.179 -11.961 3.524 1.00 0.00 C ATOM 0 H ALA A 40 65.801 -12.211 5.999 1.00 0.00 H new ATOM 0 HA ALA A 40 68.131 -12.413 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.536 -11.595 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 40 65.896 -13.010 3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.312 -11.378 3.834 1.00 0.00 H new ATOM 670 N PHE A 41 66.782 -9.515 5.084 1.00 0.00 N ATOM 671 CA PHE A 41 67.042 -8.086 5.206 1.00 0.00 C ATOM 672 C PHE A 41 66.388 -7.603 6.518 1.00 0.00 C ATOM 673 O PHE A 41 65.246 -7.162 6.523 1.00 0.00 O ATOM 674 CB PHE A 41 66.488 -7.296 3.998 1.00 0.00 C ATOM 675 CG PHE A 41 66.495 -8.023 2.694 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.659 -8.586 2.194 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.317 -8.141 1.973 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.622 -9.335 1.033 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.293 -8.818 0.772 1.00 0.00 C ATOM 680 CZ PHE A 41 66.438 -9.450 0.323 1.00 0.00 C ATOM 0 H PHE A 41 65.824 -9.792 5.299 1.00 0.00 H new ATOM 0 HA PHE A 41 68.118 -7.911 5.223 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.464 -6.997 4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 41 67.070 -6.381 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.595 -8.439 2.712 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.409 -7.698 2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.515 -9.830 0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.386 -8.854 0.186 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.409 -10.035 -0.584 1.00 0.00 H new ATOM 690 N PRO A 42 67.148 -7.690 7.644 1.00 0.00 N ATOM 691 CA PRO A 42 66.688 -7.164 8.926 1.00 0.00 C ATOM 692 C PRO A 42 66.769 -5.644 8.893 1.00 0.00 C ATOM 693 O PRO A 42 67.830 -5.101 8.606 1.00 0.00 O ATOM 694 CB PRO A 42 67.691 -7.692 9.964 1.00 0.00 C ATOM 695 CG PRO A 42 68.613 -8.646 9.200 1.00 0.00 C ATOM 696 CD PRO A 42 68.471 -8.291 7.725 1.00 0.00 C ATOM 0 HA PRO A 42 65.663 -7.460 9.151 1.00 0.00 H new ATOM 0 HB2 PRO A 42 68.257 -6.875 10.412 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.179 -8.208 10.776 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.646 -8.534 9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 42 68.332 -9.684 9.379 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.247 -7.597 7.403 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.550 -9.174 7.091 1.00 0.00 H new ATOM 704 N VAL A 43 65.606 -5.003 9.173 1.00 0.00 N ATOM 705 CA VAL A 43 65.471 -3.545 9.157 1.00 0.00 C ATOM 706 C VAL A 43 66.674 -2.797 9.754 1.00 0.00 C ATOM 707 O VAL A 43 66.997 -1.694 9.356 1.00 0.00 O ATOM 708 CB VAL A 43 64.201 -3.081 9.901 1.00 0.00 C ATOM 709 CG1 VAL A 43 62.942 -3.747 9.354 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.283 -3.279 11.413 1.00 0.00 C ATOM 0 H VAL A 43 64.744 -5.492 9.414 1.00 0.00 H new ATOM 0 HA VAL A 43 65.409 -3.295 8.098 1.00 0.00 H new ATOM 0 HB VAL A 43 64.137 -2.009 9.716 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.073 -3.391 9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 43 62.828 -3.498 8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.025 -4.828 9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.359 -2.933 11.876 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.426 -4.337 11.634 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.123 -2.709 11.810 1.00 0.00 H new ATOM 720 N ALA A 44 67.315 -3.465 10.730 1.00 0.00 N ATOM 721 CA ALA A 44 68.516 -2.947 11.352 1.00 0.00 C ATOM 722 C ALA A 44 69.579 -2.550 10.303 1.00 0.00 C ATOM 723 O ALA A 44 69.792 -1.374 10.037 1.00 0.00 O ATOM 724 CB ALA A 44 69.037 -4.006 12.325 1.00 0.00 C ATOM 0 H ALA A 44 67.009 -4.366 11.096 1.00 0.00 H new ATOM 0 HA ALA A 44 68.286 -2.032 11.897 1.00 0.00 H new ATOM 0 HB1 ALA A 44 69.943 -3.641 12.809 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.279 -4.210 13.081 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.261 -4.923 11.779 1.00 0.00 H new ATOM 730 N GLY A 45 70.210 -3.594 9.721 1.00 0.00 N ATOM 731 CA GLY A 45 71.264 -3.364 8.741 1.00 0.00 C ATOM 732 C GLY A 45 70.744 -3.315 7.300 1.00 0.00 C ATOM 733 O GLY A 45 71.493 -3.563 6.370 1.00 0.00 O ATOM 0 H GLY A 45 70.007 -4.575 9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 45 71.768 -2.425 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.009 -4.155 8.825 1.00 0.00 H new ATOM 737 N GLN A 46 69.446 -2.978 7.151 1.00 0.00 N ATOM 738 CA GLN A 46 68.835 -2.902 5.828 1.00 0.00 C ATOM 739 C GLN A 46 69.158 -1.573 5.140 1.00 0.00 C ATOM 740 O GLN A 46 68.282 -0.789 4.832 1.00 0.00 O ATOM 741 CB GLN A 46 67.325 -3.093 5.970 1.00 0.00 C ATOM 742 CG GLN A 46 66.822 -4.500 5.706 1.00 0.00 C ATOM 743 CD GLN A 46 65.643 -4.432 4.744 1.00 0.00 C ATOM 744 OE1 GLN A 46 65.812 -4.135 3.577 1.00 0.00 O ATOM 745 NE2 GLN A 46 64.459 -4.715 5.293 1.00 0.00 N ATOM 0 H GLN A 46 68.817 -2.759 7.924 1.00 0.00 H new ATOM 0 HA GLN A 46 69.245 -3.692 5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.032 -2.803 6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 46 66.823 -2.411 5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.619 -5.112 5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.519 -4.973 6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 46 64.400 -4.956 6.282 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.614 -4.690 4.723 1.00 0.00 H new ATOM 754 N LYS A 47 70.455 -1.359 4.881 1.00 0.00 N ATOM 755 CA LYS A 47 70.858 -0.126 4.228 1.00 0.00 C ATOM 756 C LYS A 47 70.445 -0.177 2.763 1.00 0.00 C ATOM 757 O LYS A 47 70.149 -1.238 2.240 1.00 0.00 O ATOM 758 CB LYS A 47 72.367 0.045 4.342 1.00 0.00 C ATOM 759 CG LYS A 47 72.845 -0.116 5.789 1.00 0.00 C ATOM 760 CD LYS A 47 74.119 0.687 6.043 1.00 0.00 C ATOM 761 CE LYS A 47 75.363 0.001 5.471 1.00 0.00 C ATOM 762 NZ LYS A 47 76.007 -0.850 6.462 1.00 0.00 N ATOM 0 H LYS A 47 71.212 -2.003 5.107 1.00 0.00 H new ATOM 0 HA LYS A 47 70.371 0.722 4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.866 -0.689 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 47 72.651 1.030 3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 47 72.062 0.214 6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 47 73.028 -1.170 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 47 74.016 1.677 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 47 74.247 0.831 7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 47 75.084 -0.597 4.603 1.00 0.00 H new ATOM 0 HE3 LYS A 47 76.069 0.756 5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 76.846 -1.299 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 76.295 -0.275 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 75.341 -1.585 6.774 1.00 0.00 H new ATOM 776 N LEU A 48 70.413 1.027 2.164 1.00 0.00 N ATOM 777 CA LEU A 48 69.971 1.187 0.788 1.00 0.00 C ATOM 778 C LEU A 48 70.959 2.131 0.104 1.00 0.00 C ATOM 779 O LEU A 48 71.562 2.951 0.780 1.00 0.00 O ATOM 780 CB LEU A 48 68.535 1.722 0.774 1.00 0.00 C ATOM 781 CG LEU A 48 67.479 0.691 1.190 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.272 0.709 2.707 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.099 0.820 0.558 1.00 0.00 C ATOM 0 H LEU A 48 70.690 1.896 2.620 1.00 0.00 H new ATOM 0 HA LEU A 48 69.956 0.241 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.472 2.581 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.302 2.081 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 48 67.906 -0.241 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.519 -0.030 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.212 0.471 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 48 66.938 1.699 3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.450 0.031 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.673 1.792 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.185 0.730 -0.525 1.00 0.00 H new ATOM 795 N ILE A 49 71.129 1.963 -1.239 1.00 0.00 N ATOM 796 CA ILE A 49 72.112 2.762 -1.984 1.00 0.00 C ATOM 797 C ILE A 49 71.503 3.419 -3.229 1.00 0.00 C ATOM 798 O ILE A 49 71.127 2.732 -4.170 1.00 0.00 O ATOM 799 CB ILE A 49 73.327 1.931 -2.472 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.733 0.798 -1.531 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.539 2.820 -2.783 1.00 0.00 C ATOM 802 CD1 ILE A 49 73.931 1.253 -0.097 1.00 0.00 C ATOM 0 H ILE A 49 70.606 1.295 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 49 72.439 3.515 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 49 72.983 1.459 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.968 0.022 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.657 0.347 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.368 2.199 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.276 3.533 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.834 3.361 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.218 0.401 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.716 2.008 -0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 49 73.001 1.677 0.282 1.00 0.00 H new ATOM 814 N TYR A 50 71.444 4.771 -3.192 1.00 0.00 N ATOM 815 CA TYR A 50 70.857 5.528 -4.291 1.00 0.00 C ATOM 816 C TYR A 50 71.902 6.484 -4.850 1.00 0.00 C ATOM 817 O TYR A 50 72.362 7.379 -4.156 1.00 0.00 O ATOM 818 CB TYR A 50 69.660 6.346 -3.793 1.00 0.00 C ATOM 819 CG TYR A 50 68.728 6.670 -4.928 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.769 5.758 -5.362 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.811 7.903 -5.560 1.00 0.00 C ATOM 822 CE1 TYR A 50 66.898 6.072 -6.385 1.00 0.00 C ATOM 823 CE2 TYR A 50 67.926 8.232 -6.575 1.00 0.00 C ATOM 824 CZ TYR A 50 66.968 7.320 -6.973 1.00 0.00 C ATOM 825 OH TYR A 50 66.061 7.668 -7.936 1.00 0.00 O ATOM 0 H TYR A 50 71.793 5.340 -2.421 1.00 0.00 H new ATOM 0 HA TYR A 50 70.523 4.833 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 50 69.125 5.787 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.011 7.268 -3.330 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.706 4.789 -4.890 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.570 8.610 -5.259 1.00 0.00 H new ATOM 0 HE1 TYR A 50 66.169 5.350 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.985 9.199 -7.053 1.00 0.00 H new ATOM 0 HH TYR A 50 65.563 8.461 -7.646 1.00 0.00 H new ATOM 835 N ALA A 51 72.229 6.250 -6.138 1.00 0.00 N ATOM 836 CA ALA A 51 73.194 7.089 -6.843 1.00 0.00 C ATOM 837 C ALA A 51 74.612 6.933 -6.260 1.00 0.00 C ATOM 838 O ALA A 51 75.389 7.879 -6.216 1.00 0.00 O ATOM 839 CB ALA A 51 72.758 8.566 -6.831 1.00 0.00 C ATOM 0 H ALA A 51 71.838 5.492 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 51 73.222 6.751 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.495 9.167 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.789 8.663 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.681 8.914 -5.801 1.00 0.00 H new ATOM 845 N GLY A 52 74.885 5.692 -5.794 1.00 0.00 N ATOM 846 CA GLY A 52 76.175 5.398 -5.179 1.00 0.00 C ATOM 847 C GLY A 52 76.272 5.837 -3.701 1.00 0.00 C ATOM 848 O GLY A 52 77.240 5.518 -3.023 1.00 0.00 O ATOM 0 H GLY A 52 74.239 4.904 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.363 4.326 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 52 76.961 5.894 -5.749 1.00 0.00 H new ATOM 852 N LYS A 53 75.233 6.576 -3.242 1.00 0.00 N ATOM 853 CA LYS A 53 75.171 7.074 -1.868 1.00 0.00 C ATOM 854 C LYS A 53 74.438 6.055 -0.996 1.00 0.00 C ATOM 855 O LYS A 53 73.773 5.191 -1.523 1.00 0.00 O ATOM 856 CB LYS A 53 74.401 8.404 -1.845 1.00 0.00 C ATOM 857 CG LYS A 53 75.308 9.623 -1.677 1.00 0.00 C ATOM 858 CD LYS A 53 75.464 10.409 -2.978 1.00 0.00 C ATOM 859 CE LYS A 53 74.270 11.337 -3.222 1.00 0.00 C ATOM 860 NZ LYS A 53 74.477 12.205 -4.371 1.00 0.00 N ATOM 0 H LYS A 53 74.429 6.835 -3.814 1.00 0.00 H new ATOM 0 HA LYS A 53 76.181 7.227 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 53 73.836 8.505 -2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 53 73.677 8.383 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 53 74.897 10.276 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 53 76.289 9.299 -1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 53 76.381 10.997 -2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 53 75.563 9.716 -3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 53 73.372 10.739 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 74.098 11.946 -2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 73.645 12.816 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 75.319 12.795 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 74.616 11.625 -5.223 1.00 0.00 H new ATOM 874 N ILE A 54 74.578 6.212 0.341 1.00 0.00 N ATOM 875 CA ILE A 54 73.947 5.315 1.320 1.00 0.00 C ATOM 876 C ILE A 54 72.833 6.071 2.045 1.00 0.00 C ATOM 877 O ILE A 54 72.896 7.276 2.206 1.00 0.00 O ATOM 878 CB ILE A 54 75.004 4.818 2.340 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.565 3.446 1.930 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.525 4.787 3.812 1.00 0.00 C ATOM 881 CD1 ILE A 54 74.758 2.280 2.526 1.00 0.00 C ATOM 0 H ILE A 54 75.128 6.960 0.763 1.00 0.00 H new ATOM 0 HA ILE A 54 73.526 4.451 0.806 1.00 0.00 H new ATOM 0 HB ILE A 54 75.796 5.566 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.564 3.366 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.603 3.369 2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.332 4.426 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.239 5.792 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.667 4.121 3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 54 75.195 1.334 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 54 74.780 2.341 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 54 73.726 2.338 2.181 1.00 0.00 H new ATOM 893 N LEU A 55 71.852 5.264 2.510 1.00 0.00 N ATOM 894 CA LEU A 55 70.691 5.760 3.228 1.00 0.00 C ATOM 895 C LEU A 55 70.283 4.737 4.303 1.00 0.00 C ATOM 896 O LEU A 55 70.161 3.546 4.045 1.00 0.00 O ATOM 897 CB LEU A 55 69.520 6.006 2.262 1.00 0.00 C ATOM 898 CG LEU A 55 69.359 4.978 1.144 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.883 4.873 0.757 1.00 0.00 C ATOM 900 CD2 LEU A 55 70.201 5.297 -0.107 1.00 0.00 C ATOM 0 H LEU A 55 71.858 4.251 2.390 1.00 0.00 H new ATOM 0 HA LEU A 55 70.945 6.708 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.596 6.036 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.645 6.990 1.811 1.00 0.00 H new ATOM 0 HG LEU A 55 69.726 4.028 1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.767 4.139 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.301 4.561 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.527 5.844 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 55 70.039 4.527 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.904 6.266 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.257 5.324 0.162 1.00 0.00 H new ATOM 912 N SER A 56 70.077 5.298 5.514 1.00 0.00 N ATOM 913 CA SER A 56 69.644 4.535 6.681 1.00 0.00 C ATOM 914 C SER A 56 68.157 4.816 6.946 1.00 0.00 C ATOM 915 O SER A 56 67.541 5.681 6.347 1.00 0.00 O ATOM 916 CB SER A 56 70.534 4.924 7.878 1.00 0.00 C ATOM 917 OG SER A 56 70.015 4.533 9.125 1.00 0.00 O ATOM 0 H SER A 56 70.209 6.292 5.699 1.00 0.00 H new ATOM 0 HA SER A 56 69.749 3.463 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.518 4.474 7.748 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.675 6.005 7.877 1.00 0.00 H new ATOM 0 HG SER A 56 70.630 4.809 9.836 1.00 0.00 H new ATOM 923 N ASP A 57 67.625 4.029 7.896 1.00 0.00 N ATOM 924 CA ASP A 57 66.250 4.162 8.358 1.00 0.00 C ATOM 925 C ASP A 57 65.919 5.534 8.974 1.00 0.00 C ATOM 926 O ASP A 57 64.757 5.844 9.173 1.00 0.00 O ATOM 927 CB ASP A 57 65.929 3.083 9.404 1.00 0.00 C ATOM 928 CG ASP A 57 66.851 3.069 10.641 1.00 0.00 C ATOM 929 OD1 ASP A 57 68.067 2.974 10.490 1.00 0.00 O ATOM 930 OD2 ASP A 57 66.338 3.143 11.755 1.00 0.00 O ATOM 0 H ASP A 57 68.144 3.284 8.360 1.00 0.00 H new ATOM 0 HA ASP A 57 65.640 4.048 7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 57 64.901 3.220 9.739 1.00 0.00 H new ATOM 0 HB3 ASP A 57 65.980 2.107 8.922 1.00 0.00 H new ATOM 935 N ASP A 58 66.950 6.343 9.276 1.00 0.00 N ATOM 936 CA ASP A 58 66.676 7.654 9.862 1.00 0.00 C ATOM 937 C ASP A 58 66.767 8.787 8.829 1.00 0.00 C ATOM 938 O ASP A 58 66.473 9.930 9.153 1.00 0.00 O ATOM 939 CB ASP A 58 67.659 7.904 11.025 1.00 0.00 C ATOM 940 CG ASP A 58 66.975 8.179 12.384 1.00 0.00 C ATOM 941 OD1 ASP A 58 65.823 7.789 12.583 1.00 0.00 O ATOM 942 OD2 ASP A 58 67.615 8.785 13.241 1.00 0.00 O ATOM 0 H ASP A 58 67.935 6.122 9.130 1.00 0.00 H new ATOM 0 HA ASP A 58 65.651 7.651 10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.311 7.037 11.128 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.295 8.753 10.773 1.00 0.00 H new ATOM 947 N VAL A 59 67.190 8.432 7.594 1.00 0.00 N ATOM 948 CA VAL A 59 67.365 9.444 6.552 1.00 0.00 C ATOM 949 C VAL A 59 66.092 9.516 5.691 1.00 0.00 C ATOM 950 O VAL A 59 65.432 8.513 5.520 1.00 0.00 O ATOM 951 CB VAL A 59 68.562 9.097 5.647 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.740 8.525 6.443 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.195 8.154 4.494 1.00 0.00 C ATOM 0 H VAL A 59 67.409 7.477 7.309 1.00 0.00 H new ATOM 0 HA VAL A 59 67.552 10.404 7.032 1.00 0.00 H new ATOM 0 HB VAL A 59 68.870 10.045 5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.561 8.295 5.764 1.00 0.00 H new ATOM 0 HG12 VAL A 59 70.072 9.258 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.426 7.615 6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 59 69.082 7.949 3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.807 7.219 4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.435 8.622 3.869 1.00 0.00 H new ATOM 963 N PRO A 60 65.780 10.696 5.099 1.00 0.00 N ATOM 964 CA PRO A 60 64.582 10.863 4.277 1.00 0.00 C ATOM 965 C PRO A 60 64.789 10.289 2.869 1.00 0.00 C ATOM 966 O PRO A 60 65.845 10.458 2.283 1.00 0.00 O ATOM 967 CB PRO A 60 64.365 12.380 4.217 1.00 0.00 C ATOM 968 CG PRO A 60 65.555 13.011 4.956 1.00 0.00 C ATOM 969 CD PRO A 60 66.585 11.905 5.152 1.00 0.00 C ATOM 0 HA PRO A 60 63.725 10.334 4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 60 64.319 12.726 3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 60 63.422 12.658 4.688 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.976 13.834 4.379 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.241 13.422 5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 60 67.345 11.918 4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 60 67.105 12.002 6.105 1.00 0.00 H new ATOM 977 N ILE A 61 63.740 9.607 2.363 1.00 0.00 N ATOM 978 CA ILE A 61 63.768 9.078 0.997 1.00 0.00 C ATOM 979 C ILE A 61 63.901 10.209 -0.035 1.00 0.00 C ATOM 980 O ILE A 61 64.516 10.050 -1.080 1.00 0.00 O ATOM 981 CB ILE A 61 62.472 8.301 0.727 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.343 7.113 1.685 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.322 7.847 -0.739 1.00 0.00 C ATOM 984 CD1 ILE A 61 63.016 5.840 1.157 1.00 0.00 C ATOM 0 H ILE A 61 62.879 9.416 2.876 1.00 0.00 H new ATOM 0 HA ILE A 61 64.632 8.421 0.902 1.00 0.00 H new ATOM 0 HB ILE A 61 61.654 8.997 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.784 7.379 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.287 6.911 1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.384 7.304 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 61 62.321 8.720 -1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 61 63.154 7.196 -1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.890 5.035 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.558 5.552 0.210 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.079 6.027 1.004 1.00 0.00 H new ATOM 996 N ARG A 62 63.285 11.353 0.325 1.00 0.00 N ATOM 997 CA ARG A 62 63.333 12.524 -0.536 1.00 0.00 C ATOM 998 C ARG A 62 64.778 13.017 -0.703 1.00 0.00 C ATOM 999 O ARG A 62 65.144 13.557 -1.740 1.00 0.00 O ATOM 1000 CB ARG A 62 62.398 13.614 0.024 1.00 0.00 C ATOM 1001 CG ARG A 62 62.906 15.062 -0.134 1.00 0.00 C ATOM 1002 CD ARG A 62 61.794 16.088 -0.337 1.00 0.00 C ATOM 1003 NE ARG A 62 62.055 16.816 -1.574 1.00 0.00 N ATOM 1004 CZ ARG A 62 61.229 17.782 -2.016 1.00 0.00 C ATOM 1005 NH1 ARG A 62 60.140 18.104 -1.325 1.00 0.00 N ATOM 1006 NH2 ARG A 62 61.509 18.414 -3.151 1.00 0.00 N ATOM 0 H ARG A 62 62.761 11.478 1.191 1.00 0.00 H new ATOM 0 HA ARG A 62 62.978 12.262 -1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 62 61.431 13.530 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 62 62.232 13.418 1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 62 63.481 15.334 0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.588 15.107 -0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 62 60.825 15.591 -0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 62 61.756 16.777 0.507 1.00 0.00 H new ATOM 0 HE ARG A 62 62.886 16.587 -2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 62 59.926 17.618 -0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 62 59.518 18.837 -1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 62 62.345 18.166 -3.680 1.00 0.00 H new ATOM 0 HH22 ARG A 62 60.888 19.147 -3.493 1.00 0.00 H new ATOM 1020 N ASP A 63 65.568 12.796 0.370 1.00 0.00 N ATOM 1021 CA ASP A 63 66.961 13.218 0.345 1.00 0.00 C ATOM 1022 C ASP A 63 67.749 12.500 -0.768 1.00 0.00 C ATOM 1023 O ASP A 63 68.730 13.013 -1.288 1.00 0.00 O ATOM 1024 CB ASP A 63 67.595 12.948 1.719 1.00 0.00 C ATOM 1025 CG ASP A 63 68.952 13.651 1.930 1.00 0.00 C ATOM 1026 OD1 ASP A 63 69.328 14.504 1.124 1.00 0.00 O ATOM 1027 OD2 ASP A 63 69.623 13.334 2.911 1.00 0.00 O ATOM 0 H ASP A 63 65.266 12.342 1.232 1.00 0.00 H new ATOM 0 HA ASP A 63 66.999 14.286 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 63 66.904 13.272 2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.731 11.873 1.841 1.00 0.00 H new ATOM 1032 N TYR A 64 67.240 11.293 -1.096 1.00 0.00 N ATOM 1033 CA TYR A 64 67.848 10.464 -2.120 1.00 0.00 C ATOM 1034 C TYR A 64 66.937 10.351 -3.334 1.00 0.00 C ATOM 1035 O TYR A 64 67.144 9.466 -4.139 1.00 0.00 O ATOM 1036 CB TYR A 64 68.116 9.057 -1.569 1.00 0.00 C ATOM 1037 CG TYR A 64 69.059 9.110 -0.408 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.571 9.445 0.843 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.416 8.858 -0.562 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.422 9.584 1.922 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.264 8.959 0.531 1.00 0.00 C ATOM 1042 CZ TYR A 64 70.769 9.330 1.775 1.00 0.00 C ATOM 1043 OH TYR A 64 71.590 9.439 2.878 1.00 0.00 O ATOM 0 H TYR A 64 66.413 10.886 -0.660 1.00 0.00 H new ATOM 0 HA TYR A 64 68.787 10.931 -2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 64 67.177 8.598 -1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.535 8.428 -2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.511 9.600 0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.810 8.584 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.032 9.892 2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.317 8.748 0.414 1.00 0.00 H new ATOM 0 HH TYR A 64 72.369 8.856 2.765 1.00 0.00 H new ATOM 1053 N ARG A 65 65.930 11.249 -3.450 1.00 0.00 N ATOM 1054 CA ARG A 65 65.034 11.294 -4.614 1.00 0.00 C ATOM 1055 C ARG A 65 64.668 9.910 -5.185 1.00 0.00 C ATOM 1056 O ARG A 65 64.656 9.709 -6.392 1.00 0.00 O ATOM 1057 CB ARG A 65 65.604 12.215 -5.713 1.00 0.00 C ATOM 1058 CG ARG A 65 67.145 12.262 -5.794 1.00 0.00 C ATOM 1059 CD ARG A 65 67.692 13.233 -6.852 1.00 0.00 C ATOM 1060 NE ARG A 65 66.768 14.331 -7.116 1.00 0.00 N ATOM 1061 CZ ARG A 65 66.542 15.332 -6.234 1.00 0.00 C ATOM 1062 NH1 ARG A 65 67.200 15.399 -5.079 1.00 0.00 N ATOM 1063 NH2 ARG A 65 65.629 16.254 -6.523 1.00 0.00 N ATOM 0 H ARG A 65 65.723 11.954 -2.742 1.00 0.00 H new ATOM 0 HA ARG A 65 64.097 11.713 -4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 65 65.215 11.888 -6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 65 65.233 13.226 -5.546 1.00 0.00 H new ATOM 0 HG2 ARG A 65 67.540 12.545 -4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 65 67.517 11.260 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 65 68.647 13.636 -6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 65 67.884 12.690 -7.778 1.00 0.00 H new ATOM 0 HE ARG A 65 66.270 14.345 -8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 65 67.891 14.687 -4.844 1.00 0.00 H new ATOM 0 HH12 ARG A 65 67.013 16.163 -4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 65 65.110 16.201 -7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 65 65.447 17.015 -5.868 1.00 0.00 H new ATOM 1077 N ILE A 66 64.399 8.977 -4.239 1.00 0.00 N ATOM 1078 CA ILE A 66 64.173 7.590 -4.626 1.00 0.00 C ATOM 1079 C ILE A 66 62.827 7.471 -5.340 1.00 0.00 C ATOM 1080 O ILE A 66 61.784 7.286 -4.727 1.00 0.00 O ATOM 1081 CB ILE A 66 64.259 6.626 -3.431 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.363 7.068 -2.458 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.441 5.170 -3.891 1.00 0.00 C ATOM 1084 CD1 ILE A 66 65.901 5.971 -1.559 1.00 0.00 C ATOM 0 H ILE A 66 64.337 9.164 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 66 64.969 7.297 -5.310 1.00 0.00 H new ATOM 0 HB ILE A 66 63.312 6.665 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 66 66.190 7.483 -3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 66 64.975 7.872 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.498 4.518 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.594 4.875 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.361 5.083 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.675 6.380 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 66 65.091 5.569 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.325 5.174 -2.171 1.00 0.00 H new ATOM 1096 N ASP A 67 62.937 7.605 -6.676 1.00 0.00 N ATOM 1097 CA ASP A 67 61.762 7.575 -7.525 1.00 0.00 C ATOM 1098 C ASP A 67 61.572 6.134 -7.985 1.00 0.00 C ATOM 1099 O ASP A 67 62.516 5.362 -8.009 1.00 0.00 O ATOM 1100 CB ASP A 67 61.918 8.566 -8.692 1.00 0.00 C ATOM 1101 CG ASP A 67 63.055 8.215 -9.669 1.00 0.00 C ATOM 1102 OD1 ASP A 67 64.192 8.593 -9.422 1.00 0.00 O ATOM 1103 OD2 ASP A 67 62.789 7.584 -10.680 1.00 0.00 O ATOM 0 H ASP A 67 63.820 7.733 -7.171 1.00 0.00 H new ATOM 0 HA ASP A 67 60.869 7.893 -6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 67 60.980 8.610 -9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 67 62.096 9.562 -8.287 1.00 0.00 H new ATOM 1108 N GLU A 68 60.307 5.833 -8.334 1.00 0.00 N ATOM 1109 CA GLU A 68 59.923 4.511 -8.825 1.00 0.00 C ATOM 1110 C GLU A 68 60.708 4.104 -10.085 1.00 0.00 C ATOM 1111 O GLU A 68 61.180 2.977 -10.184 1.00 0.00 O ATOM 1112 CB GLU A 68 58.414 4.450 -9.127 1.00 0.00 C ATOM 1113 CG GLU A 68 57.822 5.773 -9.661 1.00 0.00 C ATOM 1114 CD GLU A 68 57.269 6.702 -8.553 1.00 0.00 C ATOM 1115 OE1 GLU A 68 57.399 6.389 -7.367 1.00 0.00 O ATOM 1116 OE2 GLU A 68 56.707 7.741 -8.896 1.00 0.00 O ATOM 0 H GLU A 68 59.535 6.497 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 68 60.166 3.807 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 68 58.233 3.662 -9.858 1.00 0.00 H new ATOM 0 HB3 GLU A 68 57.884 4.169 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 68 58.592 6.306 -10.218 1.00 0.00 H new ATOM 0 HG3 GLU A 68 57.021 5.544 -10.364 1.00 0.00 H new ATOM 1123 N LYS A 69 60.829 5.079 -11.023 1.00 0.00 N ATOM 1124 CA LYS A 69 61.578 4.868 -12.265 1.00 0.00 C ATOM 1125 C LYS A 69 63.002 4.328 -12.008 1.00 0.00 C ATOM 1126 O LYS A 69 63.559 3.607 -12.825 1.00 0.00 O ATOM 1127 CB LYS A 69 61.661 6.174 -13.086 1.00 0.00 C ATOM 1128 CG LYS A 69 60.709 6.237 -14.278 1.00 0.00 C ATOM 1129 CD LYS A 69 59.291 6.651 -13.862 1.00 0.00 C ATOM 1130 CE LYS A 69 58.564 7.396 -14.983 1.00 0.00 C ATOM 1131 NZ LYS A 69 57.344 8.038 -14.517 1.00 0.00 N ATOM 0 H LYS A 69 60.417 6.008 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 69 61.031 4.115 -12.833 1.00 0.00 H new ATOM 0 HB2 LYS A 69 61.452 7.016 -12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 69 62.682 6.297 -13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 69 61.093 6.946 -15.011 1.00 0.00 H new ATOM 0 HG3 LYS A 69 60.674 5.263 -14.765 1.00 0.00 H new ATOM 0 HD2 LYS A 69 58.720 5.765 -13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 69 59.343 7.286 -12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 69 59.229 8.148 -15.407 1.00 0.00 H new ATOM 0 HE3 LYS A 69 58.322 6.697 -15.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 56.886 8.530 -15.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 56.697 7.319 -14.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 57.576 8.725 -13.771 1.00 0.00 H new ATOM 1145 N ASN A 70 63.533 4.712 -10.827 1.00 0.00 N ATOM 1146 CA ASN A 70 64.833 4.244 -10.380 1.00 0.00 C ATOM 1147 C ASN A 70 64.617 3.248 -9.234 1.00 0.00 C ATOM 1148 O ASN A 70 63.560 3.183 -8.622 1.00 0.00 O ATOM 1149 CB ASN A 70 65.647 5.464 -9.933 1.00 0.00 C ATOM 1150 CG ASN A 70 67.166 5.231 -10.032 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.816 5.673 -10.970 1.00 0.00 O ATOM 1152 ND2 ASN A 70 67.683 4.511 -9.023 1.00 0.00 N ATOM 0 H ASN A 70 63.069 5.346 -10.176 1.00 0.00 H new ATOM 0 HA ASN A 70 65.381 3.736 -11.173 1.00 0.00 H new ATOM 0 HB2 ASN A 70 65.374 6.323 -10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 70 65.388 5.712 -8.904 1.00 0.00 H new ATOM 0 HD21 ASN A 70 68.681 4.300 -9.006 1.00 0.00 H new ATOM 0 HD22 ASN A 70 67.078 4.175 -8.274 1.00 0.00 H new ATOM 1159 N PHE A 71 65.690 2.478 -8.982 1.00 0.00 N ATOM 1160 CA PHE A 71 65.683 1.574 -7.852 1.00 0.00 C ATOM 1161 C PHE A 71 66.988 1.700 -7.065 1.00 0.00 C ATOM 1162 O PHE A 71 68.062 1.896 -7.620 1.00 0.00 O ATOM 1163 CB PHE A 71 65.402 0.152 -8.350 1.00 0.00 C ATOM 1164 CG PHE A 71 66.515 -0.475 -9.134 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.654 -0.922 -8.479 1.00 0.00 C ATOM 1166 CD2 PHE A 71 66.418 -0.623 -10.514 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.707 -1.461 -9.190 1.00 0.00 C ATOM 1168 CE2 PHE A 71 67.461 -1.193 -11.229 1.00 0.00 C ATOM 1169 CZ PHE A 71 68.610 -1.598 -10.568 1.00 0.00 C ATOM 0 H PHE A 71 66.545 2.472 -9.538 1.00 0.00 H new ATOM 0 HA PHE A 71 64.887 1.834 -7.155 1.00 0.00 H new ATOM 0 HB2 PHE A 71 65.181 -0.481 -7.491 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.506 0.171 -8.970 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.717 -0.847 -7.403 1.00 0.00 H new ATOM 0 HD2 PHE A 71 65.528 -0.293 -11.030 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.603 -1.775 -8.676 1.00 0.00 H new ATOM 0 HE2 PHE A 71 67.378 -1.321 -12.298 1.00 0.00 H new ATOM 0 HZ PHE A 71 69.432 -2.021 -11.126 1.00 0.00 H new ATOM 1179 N VAL A 72 66.814 1.558 -5.738 1.00 0.00 N ATOM 1180 CA VAL A 72 67.944 1.581 -4.826 1.00 0.00 C ATOM 1181 C VAL A 72 68.417 0.151 -4.583 1.00 0.00 C ATOM 1182 O VAL A 72 67.694 -0.807 -4.814 1.00 0.00 O ATOM 1183 CB VAL A 72 67.492 2.282 -3.532 1.00 0.00 C ATOM 1184 CG1 VAL A 72 67.299 1.332 -2.360 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.460 3.359 -3.090 1.00 0.00 C ATOM 0 H VAL A 72 65.907 1.428 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 72 68.789 2.133 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 72 66.530 2.722 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 72 66.981 1.896 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 72 66.538 0.593 -2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 72 68.240 0.825 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.095 3.822 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.439 2.916 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.544 4.115 -3.870 1.00 0.00 H new ATOM 1195 N VAL A 73 69.659 0.079 -4.068 1.00 0.00 N ATOM 1196 CA VAL A 73 70.212 -1.208 -3.700 1.00 0.00 C ATOM 1197 C VAL A 73 70.183 -1.406 -2.179 1.00 0.00 C ATOM 1198 O VAL A 73 70.945 -0.795 -1.456 1.00 0.00 O ATOM 1199 CB VAL A 73 71.636 -1.337 -4.244 1.00 0.00 C ATOM 1200 CG1 VAL A 73 72.333 -2.573 -3.671 1.00 0.00 C ATOM 1201 CG2 VAL A 73 71.636 -1.359 -5.784 1.00 0.00 C ATOM 0 H VAL A 73 70.271 0.879 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 73 69.597 -1.991 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 73 72.200 -0.461 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 73 73.343 -2.641 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 73 72.380 -2.493 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 73 71.772 -3.467 -3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 73 72.660 -1.451 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 73 71.049 -2.207 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 73 71.200 -0.434 -6.161 1.00 0.00 H new ATOM 1211 N VAL A 74 69.320 -2.340 -1.739 1.00 0.00 N ATOM 1212 CA VAL A 74 69.297 -2.706 -0.329 1.00 0.00 C ATOM 1213 C VAL A 74 70.505 -3.610 0.043 1.00 0.00 C ATOM 1214 O VAL A 74 70.460 -4.825 -0.100 1.00 0.00 O ATOM 1215 CB VAL A 74 67.962 -3.381 0.013 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.547 -4.392 -1.055 1.00 0.00 C ATOM 1217 CG2 VAL A 74 67.978 -4.043 1.396 1.00 0.00 C ATOM 0 H VAL A 74 68.651 -2.837 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 74 69.388 -1.798 0.267 1.00 0.00 H new ATOM 0 HB VAL A 74 67.219 -2.584 0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.597 -4.848 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 74 67.438 -3.885 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 74 68.310 -5.166 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 74 67.010 -4.506 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.757 -4.805 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 74 68.178 -3.290 2.158 1.00 0.00 H new ATOM 1227 N MET A 75 71.561 -2.943 0.561 1.00 0.00 N ATOM 1228 CA MET A 75 72.741 -3.641 1.069 1.00 0.00 C ATOM 1229 C MET A 75 72.635 -3.819 2.592 1.00 0.00 C ATOM 1230 O MET A 75 72.175 -2.936 3.301 1.00 0.00 O ATOM 1231 CB MET A 75 73.996 -2.832 0.711 1.00 0.00 C ATOM 1232 CG MET A 75 75.245 -3.287 1.481 1.00 0.00 C ATOM 1233 SD MET A 75 76.755 -2.689 0.705 1.00 0.00 S ATOM 1234 CE MET A 75 77.590 -2.063 2.173 1.00 0.00 C ATOM 0 H MET A 75 71.611 -1.927 0.634 1.00 0.00 H new ATOM 0 HA MET A 75 72.806 -4.629 0.613 1.00 0.00 H new ATOM 0 HB2 MET A 75 74.184 -2.919 -0.359 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.813 -1.778 0.918 1.00 0.00 H new ATOM 0 HG2 MET A 75 75.194 -2.923 2.507 1.00 0.00 H new ATOM 0 HG3 MET A 75 75.267 -4.376 1.530 1.00 0.00 H new ATOM 0 HE1 MET A 75 78.557 -1.646 1.892 1.00 0.00 H new ATOM 0 HE2 MET A 75 76.981 -1.286 2.635 1.00 0.00 H new ATOM 0 HE3 MET A 75 77.738 -2.877 2.882 1.00 0.00 H new ATOM 1244 N VAL A 76 73.108 -5.010 3.038 1.00 0.00 N ATOM 1245 CA VAL A 76 73.129 -5.348 4.460 1.00 0.00 C ATOM 1246 C VAL A 76 74.431 -6.097 4.793 1.00 0.00 C ATOM 1247 O VAL A 76 75.002 -6.793 3.964 1.00 0.00 O ATOM 1248 CB VAL A 76 71.897 -6.202 4.853 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.827 -6.434 6.378 1.00 0.00 C ATOM 1250 CG2 VAL A 76 70.571 -5.645 4.300 1.00 0.00 C ATOM 0 H VAL A 76 73.475 -5.740 2.427 1.00 0.00 H new ATOM 0 HA VAL A 76 73.087 -4.424 5.036 1.00 0.00 H new ATOM 0 HB VAL A 76 72.038 -7.172 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.950 -7.037 6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.725 -6.955 6.708 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.756 -5.474 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.748 -6.289 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.410 -4.638 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.615 -5.613 3.211 1.00 0.00 H new ATOM 1260 N THR A 77 74.846 -5.899 6.067 1.00 0.00 N ATOM 1261 CA THR A 77 76.038 -6.540 6.606 1.00 0.00 C ATOM 1262 C THR A 77 75.683 -7.964 7.060 1.00 0.00 C ATOM 1263 O THR A 77 75.191 -8.159 8.164 1.00 0.00 O ATOM 1264 CB THR A 77 76.582 -5.738 7.814 1.00 0.00 C ATOM 1265 OG1 THR A 77 75.918 -4.506 7.950 1.00 0.00 O ATOM 1266 CG2 THR A 77 78.087 -5.497 7.699 1.00 0.00 C ATOM 0 H THR A 77 74.361 -5.296 6.731 1.00 0.00 H new ATOM 0 HA THR A 77 76.804 -6.574 5.832 1.00 0.00 H new ATOM 0 HB THR A 77 76.393 -6.342 8.702 1.00 0.00 H new ATOM 0 HG1 THR A 77 76.281 -4.022 8.721 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.432 -4.931 8.565 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.607 -6.454 7.660 1.00 0.00 H new ATOM 0 HG23 THR A 77 78.297 -4.933 6.790 1.00 0.00 H new ATOM 1274 N LYS A 78 75.963 -8.933 6.157 1.00 0.00 N ATOM 1275 CA LYS A 78 75.705 -10.344 6.444 1.00 0.00 C ATOM 1276 C LYS A 78 74.200 -10.593 6.754 1.00 0.00 C ATOM 1277 O LYS A 78 73.777 -10.399 7.894 1.00 0.00 O ATOM 1278 CB LYS A 78 76.668 -10.854 7.545 1.00 0.00 C ATOM 1279 CG LYS A 78 76.330 -12.253 8.088 1.00 0.00 C ATOM 1280 CD LYS A 78 76.629 -13.366 7.077 1.00 0.00 C ATOM 1281 CE LYS A 78 78.047 -13.915 7.255 1.00 0.00 C ATOM 1282 NZ LYS A 78 78.074 -15.043 8.177 1.00 0.00 N ATOM 1283 OXT LYS A 78 73.471 -10.989 5.847 1.00 0.00 O ATOM 0 H LYS A 78 76.363 -8.756 5.236 1.00 0.00 H new ATOM 0 HA LYS A 78 75.916 -10.937 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 78 77.682 -10.868 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 78 76.662 -10.145 8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 78 76.900 -12.432 8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 78 75.275 -12.288 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 78 75.907 -14.173 7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 78 76.510 -12.981 6.064 1.00 0.00 H new ATOM 0 HE2 LYS A 78 78.442 -14.226 6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 78 78.700 -13.125 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 79.050 -15.389 8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 77.721 -14.740 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 77.471 -15.806 7.810 1.00 0.00 H new TER 1297 LYS A 78