USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 659 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= 0.778 K(o=1.8,f=-3.7) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.286 K(o=1.8,f=-3.7) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 0.974 K(o=1.8,f=-3.7!) USER MOD Set 1.4: A 201 HEM CMD :methyl -30:sc= -0.262 (180deg=-0.598) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.283 K(o=0.89,f=-6.2!) USER MOD Set 2.2: A 18 SER OG : rot -69:sc= 0.61 USER MOD Set 3.1: A 15 HIS : no HE2:sc= -2.82 K(o=-2.7,f=-9.7!) USER MOD Set 3.2: A 19 LYS NZ :NH3+ 165:sc= 0.0751 (180deg=0.557) USER MOD Set 4.1: A 13 GLN : amide:sc= 0.123 K(o=3.1,f=-13!) USER MOD Set 4.2: A 14 LYS NZ :NH3+ -179:sc= 2.98 (180deg=1.94) USER MOD Set 5.1: A 5 LYS NZ :NH3+ -169:sc= 1.28 (180deg=0) USER MOD Set 5.2: A 7 TYR OH : rot 143:sc= 2.26 USER MOD Single : A 6 TYR OH : rot -82:sc= 1.27 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 16 ASN : amide:sc= 1.05 K(o=1.1,f=-1.1) USER MOD Single : A 20 SER OG : rot 28:sc= 1.36 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.031) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0.92 (180deg=0.109!) USER MOD Single : A 30 TYR OH : rot 29:sc= 1.19 USER MOD Single : A 33 THR OG1 : rot 105:sc= 2.31 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0.527 (180deg=-0.0331) USER MOD Single : A 55 THR OG1 : rot 95:sc= 1.89 USER MOD Single : A 64 SER OG : rot 71:sc= 0.738 USER MOD Single : A 65 THR OG1 : rot 74:sc= 1.3 USER MOD Single : A 71 SER OG : rot -159:sc= -0.667 USER MOD Single : A 72 LYS NZ :NH3+ -129:sc= 0.579 (180deg=-3.65!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.414 K(o=-0.41,f=-0.97) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.589 (180deg=-1.87!) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.581 (180deg=-4.92!) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -1.22 (180deg=-1.32) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -10.242 18.125 0.491 1.00 10.00 N ATOM 2 CA ALA A 3 -9.124 18.387 1.417 1.00 10.00 C ATOM 3 C ALA A 3 -8.059 17.340 1.126 1.00 10.00 C ATOM 4 O ALA A 3 -8.403 16.364 0.467 1.00 10.00 O ATOM 5 CB ALA A 3 -9.582 18.296 2.877 1.00 10.00 C ATOM 0 HA ALA A 3 -8.735 19.395 1.272 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -8.737 18.494 3.536 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -10.365 19.032 3.059 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -9.971 17.297 3.075 1.00 10.00 H new ATOM 13 N VAL A 4 -6.819 17.518 1.590 1.00 10.00 N ATOM 14 CA VAL A 4 -5.718 16.611 1.267 1.00 10.00 C ATOM 15 C VAL A 4 -5.628 16.529 -0.262 1.00 10.00 C ATOM 16 O VAL A 4 -5.483 17.562 -0.913 1.00 10.00 O ATOM 17 CB VAL A 4 -5.900 15.246 1.975 1.00 10.00 C ATOM 18 CG1 VAL A 4 -4.562 14.495 2.018 1.00 10.00 C ATOM 19 CG2 VAL A 4 -6.436 15.405 3.392 1.00 10.00 C ATOM 0 H VAL A 4 -6.552 18.292 2.198 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.764 16.981 1.642 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.631 14.677 1.401 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -4.699 13.536 2.518 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.206 14.327 1.001 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -3.829 15.088 2.565 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -6.548 14.423 3.851 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -5.739 16.003 3.980 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -7.405 15.904 3.361 1.00 10.00 H new ATOM 29 N LYS A 5 -5.851 15.347 -0.842 1.00 10.00 N ATOM 30 CA LYS A 5 -6.681 15.257 -2.028 1.00 10.00 C ATOM 31 C LYS A 5 -7.868 14.350 -1.707 1.00 10.00 C ATOM 32 O LYS A 5 -9.015 14.675 -2.004 1.00 10.00 O ATOM 33 CB LYS A 5 -5.912 14.652 -3.210 1.00 10.00 C ATOM 34 CG LYS A 5 -4.528 15.249 -3.492 1.00 10.00 C ATOM 35 CD LYS A 5 -3.903 14.388 -4.599 1.00 10.00 C ATOM 36 CE LYS A 5 -2.424 14.693 -4.858 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.847 13.724 -5.816 1.00 10.00 N ATOM 0 H LYS A 5 -5.473 14.459 -0.512 1.00 10.00 H new ATOM 0 HA LYS A 5 -7.002 16.260 -2.307 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.795 13.583 -3.032 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.521 14.760 -4.107 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -4.611 16.289 -3.808 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.909 15.237 -2.595 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -4.006 13.337 -4.331 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -4.462 14.538 -5.522 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.320 15.705 -5.250 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -1.871 14.657 -3.919 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -0.813 13.829 -5.836 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -2.091 12.757 -5.521 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -2.231 13.904 -6.765 1.00 10.00 H new ATOM 51 N TYR A 6 -7.531 13.195 -1.125 1.00 10.00 N ATOM 52 CA TYR A 6 -8.317 11.984 -1.139 1.00 10.00 C ATOM 53 C TYR A 6 -8.408 11.396 -2.537 1.00 10.00 C ATOM 54 O TYR A 6 -8.242 12.053 -3.562 1.00 10.00 O ATOM 55 CB TYR A 6 -9.703 12.105 -0.500 1.00 10.00 C ATOM 56 CG TYR A 6 -9.746 12.118 1.003 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.626 13.306 1.740 1.00 10.00 C ATOM 58 CD2 TYR A 6 -9.927 10.900 1.665 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.604 13.252 3.144 1.00 10.00 C ATOM 60 CE2 TYR A 6 -9.812 10.831 3.055 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.665 12.011 3.803 1.00 10.00 C ATOM 62 OH TYR A 6 -9.432 11.947 5.140 1.00 10.00 O ATOM 0 H TYR A 6 -6.658 13.087 -0.609 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.770 11.293 -0.498 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.168 13.021 -0.863 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.316 11.275 -0.852 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -9.551 14.256 1.231 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.157 10.009 1.099 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.540 14.165 3.718 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -9.836 9.873 3.554 1.00 10.00 H new ATOM 0 HH TYR A 6 -8.466 11.931 5.303 1.00 10.00 H new ATOM 72 N TYR A 7 -8.598 10.088 -2.495 1.00 10.00 N ATOM 73 CA TYR A 7 -8.454 9.122 -3.533 1.00 10.00 C ATOM 74 C TYR A 7 -9.599 8.132 -3.347 1.00 10.00 C ATOM 75 O TYR A 7 -9.862 7.625 -2.257 1.00 10.00 O ATOM 76 CB TYR A 7 -7.084 8.494 -3.284 1.00 10.00 C ATOM 77 CG TYR A 7 -5.889 9.002 -4.087 1.00 10.00 C ATOM 78 CD1 TYR A 7 -5.961 10.140 -4.922 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.622 8.499 -3.746 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.794 10.831 -5.292 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.459 9.204 -4.097 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.548 10.405 -4.811 1.00 10.00 C ATOM 83 OH TYR A 7 -2.477 11.256 -4.837 1.00 10.00 O ATOM 0 H TYR A 7 -8.890 9.643 -1.625 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.499 9.507 -4.552 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.850 8.620 -2.227 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.173 7.423 -3.465 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.921 10.482 -5.279 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.542 7.564 -3.211 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.857 11.688 -5.946 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.491 8.818 -3.815 1.00 10.00 H new ATOM 0 HH TYR A 7 -1.932 11.121 -4.034 1.00 10.00 H new ATOM 93 N THR A 8 -10.340 7.931 -4.423 1.00 10.00 N ATOM 94 CA THR A 8 -11.577 7.181 -4.425 1.00 10.00 C ATOM 95 C THR A 8 -11.249 5.692 -4.474 1.00 10.00 C ATOM 96 O THR A 8 -10.230 5.313 -5.044 1.00 10.00 O ATOM 97 CB THR A 8 -12.374 7.613 -5.661 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.508 7.589 -6.781 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.907 9.037 -5.482 1.00 10.00 C ATOM 0 H THR A 8 -10.088 8.296 -5.342 1.00 10.00 H new ATOM 0 HA THR A 8 -12.167 7.369 -3.528 1.00 10.00 H new ATOM 0 HB THR A 8 -13.215 6.935 -5.803 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.002 7.861 -7.582 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.471 9.329 -6.368 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.559 9.075 -4.609 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.072 9.723 -5.341 1.00 10.00 H new ATOM 107 N LEU A 9 -12.118 4.833 -3.933 1.00 10.00 N ATOM 108 CA LEU A 9 -11.990 3.392 -4.141 1.00 10.00 C ATOM 109 C LEU A 9 -11.867 3.087 -5.631 1.00 10.00 C ATOM 110 O LEU A 9 -11.006 2.304 -6.024 1.00 10.00 O ATOM 111 CB LEU A 9 -13.124 2.654 -3.426 1.00 10.00 C ATOM 112 CG LEU A 9 -13.320 1.173 -3.801 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.952 0.437 -2.613 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.244 0.988 -5.013 1.00 10.00 C ATOM 0 H LEU A 9 -12.910 5.109 -3.353 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.071 3.019 -3.690 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.947 2.714 -2.352 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.056 3.183 -3.626 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.338 0.773 -4.054 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.095 -0.613 -2.869 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.295 0.513 -1.747 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.916 0.887 -2.377 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.347 -0.075 -5.233 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.224 1.409 -4.791 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.818 1.498 -5.877 1.00 10.00 H new ATOM 126 N GLU A 10 -12.672 3.778 -6.447 1.00 10.00 N ATOM 127 CA GLU A 10 -12.580 3.771 -7.900 1.00 10.00 C ATOM 128 C GLU A 10 -11.121 3.772 -8.349 1.00 10.00 C ATOM 129 O GLU A 10 -10.687 2.853 -9.037 1.00 10.00 O ATOM 130 CB GLU A 10 -13.322 4.994 -8.460 1.00 10.00 C ATOM 131 CG GLU A 10 -13.409 5.014 -9.993 1.00 10.00 C ATOM 132 CD GLU A 10 -14.172 3.822 -10.551 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.410 3.928 -10.641 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.493 2.820 -10.868 1.00 10.00 O ATOM 0 H GLU A 10 -13.424 4.372 -6.098 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.044 2.863 -8.284 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.331 5.016 -8.047 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.819 5.900 -8.122 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.896 5.935 -10.314 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.402 5.024 -10.410 1.00 10.00 H new ATOM 141 N GLU A 11 -10.354 4.784 -7.941 1.00 10.00 N ATOM 142 CA GLU A 11 -8.934 4.834 -8.257 1.00 10.00 C ATOM 143 C GLU A 11 -8.203 3.693 -7.566 1.00 10.00 C ATOM 144 O GLU A 11 -7.460 2.953 -8.204 1.00 10.00 O ATOM 145 CB GLU A 11 -8.311 6.152 -7.767 1.00 10.00 C ATOM 146 CG GLU A 11 -8.497 7.353 -8.697 1.00 10.00 C ATOM 147 CD GLU A 11 -7.551 7.333 -9.901 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.199 6.227 -10.375 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.168 8.435 -10.344 1.00 10.00 O ATOM 0 H GLU A 11 -10.694 5.575 -7.394 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.836 4.755 -9.340 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.739 6.397 -6.795 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.243 5.995 -7.614 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.527 7.374 -9.052 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.336 8.271 -8.132 1.00 10.00 H new ATOM 156 N ILE A 12 -8.360 3.594 -6.248 1.00 10.00 N ATOM 157 CA ILE A 12 -7.524 2.747 -5.420 1.00 10.00 C ATOM 158 C ILE A 12 -7.484 1.325 -5.970 1.00 10.00 C ATOM 159 O ILE A 12 -6.392 0.791 -6.144 1.00 10.00 O ATOM 160 CB ILE A 12 -7.941 2.832 -3.941 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.701 4.246 -3.382 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.147 1.845 -3.084 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.581 4.556 -2.173 1.00 10.00 C ATOM 0 H ILE A 12 -9.075 4.103 -5.728 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.498 3.113 -5.457 1.00 10.00 H new ATOM 0 HB ILE A 12 -9.002 2.587 -3.899 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.653 4.348 -3.100 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.893 4.980 -4.165 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.464 1.929 -2.044 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.327 0.830 -3.438 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.084 2.072 -3.158 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.371 5.565 -1.819 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.630 4.483 -2.458 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.371 3.841 -1.377 1.00 10.00 H new ATOM 175 N GLN A 13 -8.639 0.748 -6.322 1.00 10.00 N ATOM 176 CA GLN A 13 -8.687 -0.599 -6.897 1.00 10.00 C ATOM 177 C GLN A 13 -7.721 -0.707 -8.077 1.00 10.00 C ATOM 178 O GLN A 13 -6.998 -1.679 -8.285 1.00 10.00 O ATOM 179 CB GLN A 13 -10.053 -0.842 -7.564 1.00 10.00 C ATOM 180 CG GLN A 13 -11.325 -0.987 -6.734 1.00 10.00 C ATOM 181 CD GLN A 13 -12.530 -1.104 -7.672 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.372 -0.744 -8.867 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.584 -1.564 -7.191 1.00 10.00 N ATOM 0 H GLN A 13 -9.551 1.193 -6.218 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.464 -1.290 -6.084 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.219 -0.018 -8.258 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.958 -1.749 -8.162 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.259 -1.869 -6.097 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.444 -0.126 -6.076 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -13.622 -1.831 -6.207 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.409 -1.673 -7.781 1.00 10.00 H new ATOM 190 N LYS A 14 -7.853 0.307 -8.918 1.00 10.00 N ATOM 191 CA LYS A 14 -7.376 0.427 -10.271 1.00 10.00 C ATOM 192 C LYS A 14 -5.862 0.626 -10.215 1.00 10.00 C ATOM 193 O LYS A 14 -5.108 0.109 -11.041 1.00 10.00 O ATOM 194 CB LYS A 14 -8.152 1.633 -10.827 1.00 10.00 C ATOM 195 CG LYS A 14 -8.703 1.515 -12.243 1.00 10.00 C ATOM 196 CD LYS A 14 -9.831 0.463 -12.376 1.00 10.00 C ATOM 197 CE LYS A 14 -11.265 0.961 -12.085 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.657 1.010 -10.657 1.00 10.00 N ATOM 0 H LYS A 14 -8.350 1.150 -8.631 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.538 -0.439 -10.912 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.986 1.836 -10.156 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.496 2.502 -10.792 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -9.083 2.486 -12.560 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.890 1.254 -12.921 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.807 0.061 -13.389 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.611 -0.363 -11.700 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.374 1.961 -12.506 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.967 0.315 -12.612 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.640 1.341 -10.578 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.577 0.060 -10.242 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.030 1.664 -10.147 1.00 10.00 H new ATOM 212 N HIS A 15 -5.412 1.341 -9.185 1.00 10.00 N ATOM 213 CA HIS A 15 -4.029 1.428 -8.778 1.00 10.00 C ATOM 214 C HIS A 15 -3.523 0.113 -8.174 1.00 10.00 C ATOM 215 O HIS A 15 -3.165 0.021 -7.001 1.00 10.00 O ATOM 216 CB HIS A 15 -3.883 2.593 -7.812 1.00 10.00 C ATOM 217 CG HIS A 15 -3.686 3.899 -8.517 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.473 4.364 -8.951 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.644 4.789 -8.906 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.690 5.521 -9.596 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.004 5.802 -9.626 1.00 10.00 N ATOM 0 H HIS A 15 -6.033 1.894 -8.594 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.406 1.606 -9.654 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.771 2.653 -7.183 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -3.036 2.409 -7.151 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.569 3.913 -8.810 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.701 4.723 -8.696 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.918 6.139 -10.030 1.00 10.00 H new ATOM 229 N ASN A 16 -3.427 -0.899 -9.031 1.00 10.00 N ATOM 230 CA ASN A 16 -2.778 -2.169 -8.725 1.00 10.00 C ATOM 231 C ASN A 16 -1.819 -2.622 -9.829 1.00 10.00 C ATOM 232 O ASN A 16 -1.243 -3.703 -9.712 1.00 10.00 O ATOM 233 CB ASN A 16 -3.821 -3.250 -8.400 1.00 10.00 C ATOM 234 CG ASN A 16 -4.441 -3.852 -9.661 1.00 10.00 C ATOM 235 OD1 ASN A 16 -3.836 -4.688 -10.327 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.644 -3.420 -10.018 1.00 10.00 N ATOM 0 H ASN A 16 -3.806 -0.858 -9.977 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.165 -2.010 -7.838 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.352 -4.041 -7.815 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.608 -2.819 -7.781 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.086 -3.783 -10.862 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -6.126 -2.725 -9.448 1.00 10.00 H new ATOM 243 N ASN A 17 -1.654 -1.828 -10.899 1.00 10.00 N ATOM 244 CA ASN A 17 -0.782 -2.160 -12.026 1.00 10.00 C ATOM 245 C ASN A 17 -0.326 -0.897 -12.777 1.00 10.00 C ATOM 246 O ASN A 17 0.551 -0.179 -12.297 1.00 10.00 O ATOM 247 CB ASN A 17 -1.437 -3.220 -12.939 1.00 10.00 C ATOM 248 CG ASN A 17 -0.405 -4.003 -13.756 1.00 10.00 C ATOM 249 OD1 ASN A 17 -0.162 -5.176 -13.481 1.00 10.00 O ATOM 250 ND2 ASN A 17 0.218 -3.407 -14.764 1.00 10.00 N ATOM 0 H ASN A 17 -2.128 -0.931 -11.003 1.00 10.00 H new ATOM 0 HA ASN A 17 0.129 -2.615 -11.637 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -2.016 -3.914 -12.329 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.137 -2.730 -13.616 1.00 10.00 H new ATOM 0 HD21 ASN A 17 0.903 -3.922 -15.316 1.00 10.00 H new ATOM 0 HD22 ASN A 17 0.012 -2.433 -14.987 1.00 10.00 H new ATOM 257 N SER A 18 -0.909 -0.589 -13.942 1.00 10.00 N ATOM 258 CA SER A 18 -0.342 0.343 -14.919 1.00 10.00 C ATOM 259 C SER A 18 -0.823 1.751 -14.611 1.00 10.00 C ATOM 260 O SER A 18 -1.492 2.391 -15.419 1.00 10.00 O ATOM 261 CB SER A 18 -0.741 -0.076 -16.337 1.00 10.00 C ATOM 262 OG SER A 18 -0.415 -1.436 -16.536 1.00 10.00 O ATOM 0 H SER A 18 -1.801 -0.987 -14.235 1.00 10.00 H new ATOM 0 HA SER A 18 0.746 0.324 -14.856 1.00 10.00 H new ATOM 0 HB2 SER A 18 -1.810 0.078 -16.486 1.00 10.00 H new ATOM 0 HB3 SER A 18 -0.224 0.544 -17.070 1.00 10.00 H new ATOM 0 HG SER A 18 0.559 -1.538 -16.562 1.00 10.00 H new ATOM 268 N LYS A 19 -0.536 2.179 -13.390 1.00 10.00 N ATOM 269 CA LYS A 19 -1.167 3.312 -12.752 1.00 10.00 C ATOM 270 C LYS A 19 -0.211 3.803 -11.661 1.00 10.00 C ATOM 271 O LYS A 19 0.167 4.970 -11.655 1.00 10.00 O ATOM 272 CB LYS A 19 -2.521 2.850 -12.172 1.00 10.00 C ATOM 273 CG LYS A 19 -3.722 2.795 -13.133 1.00 10.00 C ATOM 274 CD LYS A 19 -4.134 4.134 -13.780 1.00 10.00 C ATOM 275 CE LYS A 19 -4.489 5.284 -12.815 1.00 10.00 C ATOM 276 NZ LYS A 19 -5.596 4.957 -11.887 1.00 10.00 N ATOM 0 H LYS A 19 0.166 1.729 -12.802 1.00 10.00 H new ATOM 0 HA LYS A 19 -1.364 4.130 -13.445 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -2.384 1.856 -11.747 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -2.779 3.515 -11.348 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -3.493 2.085 -13.928 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -4.579 2.398 -12.589 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -3.319 4.467 -14.423 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -4.994 3.951 -14.424 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -3.605 5.546 -12.234 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -4.761 6.165 -13.397 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -5.617 5.652 -11.114 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -6.500 4.984 -12.401 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -5.450 4.006 -11.494 1.00 10.00 H new ATOM 290 N SER A 20 0.157 2.887 -10.758 1.00 10.00 N ATOM 291 CA SER A 20 0.917 3.034 -9.513 1.00 10.00 C ATOM 292 C SER A 20 0.220 2.074 -8.544 1.00 10.00 C ATOM 293 O SER A 20 -1.002 1.982 -8.594 1.00 10.00 O ATOM 294 CB SER A 20 0.998 4.500 -9.030 1.00 10.00 C ATOM 295 OG SER A 20 1.091 4.645 -7.633 1.00 10.00 O ATOM 0 H SER A 20 -0.102 1.911 -10.900 1.00 10.00 H new ATOM 0 HA SER A 20 1.971 2.780 -9.623 1.00 10.00 H new ATOM 0 HB2 SER A 20 1.864 4.975 -9.491 1.00 10.00 H new ATOM 0 HB3 SER A 20 0.116 5.035 -9.381 1.00 10.00 H new ATOM 0 HG SER A 20 1.518 3.850 -7.249 1.00 10.00 H new ATOM 301 N THR A 21 0.966 1.282 -7.771 1.00 10.00 N ATOM 302 CA THR A 21 0.441 0.165 -6.992 1.00 10.00 C ATOM 303 C THR A 21 0.188 0.605 -5.547 1.00 10.00 C ATOM 304 O THR A 21 1.136 0.794 -4.782 1.00 10.00 O ATOM 305 CB THR A 21 1.427 -1.002 -7.098 1.00 10.00 C ATOM 306 OG1 THR A 21 1.546 -1.365 -8.459 1.00 10.00 O ATOM 307 CG2 THR A 21 0.953 -2.231 -6.317 1.00 10.00 C ATOM 0 H THR A 21 1.973 1.404 -7.669 1.00 10.00 H new ATOM 0 HA THR A 21 -0.521 -0.168 -7.383 1.00 10.00 H new ATOM 0 HB THR A 21 2.379 -0.676 -6.678 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.902 -2.276 -8.525 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.684 -3.033 -6.422 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.845 -1.973 -5.263 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.008 -2.563 -6.709 1.00 10.00 H new ATOM 315 N TRP A 22 -1.095 0.773 -5.205 1.00 10.00 N ATOM 316 CA TRP A 22 -1.608 1.415 -4.000 1.00 10.00 C ATOM 317 C TRP A 22 -2.112 0.374 -3.007 1.00 10.00 C ATOM 318 O TRP A 22 -2.539 -0.689 -3.429 1.00 10.00 O ATOM 319 CB TRP A 22 -2.765 2.331 -4.418 1.00 10.00 C ATOM 320 CG TRP A 22 -2.357 3.625 -5.070 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.130 3.905 -5.568 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.184 4.773 -5.428 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.151 5.115 -6.218 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.396 5.700 -6.171 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.533 5.112 -5.224 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.925 6.887 -6.700 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.096 6.261 -5.805 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.298 7.142 -6.556 1.00 10.00 C ATOM 0 H TRP A 22 -1.849 0.440 -5.806 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.814 1.984 -3.516 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.410 1.784 -5.106 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.362 2.560 -3.536 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.262 3.270 -5.469 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.342 5.530 -6.680 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.150 4.475 -4.607 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.286 7.593 -7.210 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.148 6.469 -5.674 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.740 8.011 -7.020 1.00 10.00 H new ATOM 339 N LEU A 23 -2.124 0.666 -1.703 1.00 10.00 N ATOM 340 CA LEU A 23 -2.864 -0.115 -0.711 1.00 10.00 C ATOM 341 C LEU A 23 -3.391 0.828 0.367 1.00 10.00 C ATOM 342 O LEU A 23 -2.893 1.949 0.471 1.00 10.00 O ATOM 343 CB LEU A 23 -2.035 -1.252 -0.076 1.00 10.00 C ATOM 344 CG LEU A 23 -0.632 -1.528 -0.629 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.355 -0.691 0.167 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.267 -3.010 -0.483 1.00 10.00 C ATOM 0 H LEU A 23 -1.617 1.456 -1.305 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.687 -0.605 -1.230 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.936 -1.036 0.988 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.613 -2.172 -0.162 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.602 -1.273 -1.688 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.364 -0.867 -0.205 1.00 10.00 H new ATOM 0 HD12 LEU A 23 0.107 0.365 0.058 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.302 -0.970 1.219 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.733 -3.180 -0.883 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.289 -3.288 0.571 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.986 -3.618 -1.033 1.00 10.00 H new ATOM 358 N ILE A 24 -4.375 0.384 1.162 1.00 10.00 N ATOM 359 CA ILE A 24 -4.882 1.137 2.308 1.00 10.00 C ATOM 360 C ILE A 24 -4.306 0.556 3.595 1.00 10.00 C ATOM 361 O ILE A 24 -4.457 -0.638 3.843 1.00 10.00 O ATOM 362 CB ILE A 24 -6.428 1.133 2.377 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.151 1.286 1.027 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.908 2.223 3.345 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.583 0.743 1.094 1.00 10.00 C ATOM 0 H ILE A 24 -4.841 -0.513 1.024 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.566 2.173 2.187 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.693 0.138 2.734 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.172 2.338 0.741 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.595 0.756 0.253 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.997 2.216 3.390 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.503 2.031 4.339 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.566 3.197 2.995 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.065 0.867 0.124 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.559 -0.315 1.355 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.145 1.291 1.851 1.00 10.00 H new ATOM 377 N LEU A 25 -3.668 1.410 4.402 1.00 10.00 N ATOM 378 CA LEU A 25 -3.125 1.087 5.717 1.00 10.00 C ATOM 379 C LEU A 25 -3.655 2.149 6.690 1.00 10.00 C ATOM 380 O LEU A 25 -3.104 3.244 6.782 1.00 10.00 O ATOM 381 CB LEU A 25 -1.589 1.079 5.680 1.00 10.00 C ATOM 382 CG LEU A 25 -0.894 -0.254 5.362 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.221 -0.796 3.972 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.627 -0.059 5.452 1.00 10.00 C ATOM 0 H LEU A 25 -3.512 2.384 4.142 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.434 0.092 6.036 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.267 1.811 4.940 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.227 1.424 6.649 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.260 -0.977 6.091 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.696 -1.739 3.816 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.295 -0.961 3.889 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.905 -0.076 3.217 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.128 -1.000 5.228 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.940 0.699 4.734 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.894 0.263 6.459 1.00 10.00 H new ATOM 396 N HIS A 26 -4.734 1.845 7.412 1.00 10.00 N ATOM 397 CA HIS A 26 -5.383 2.758 8.348 1.00 10.00 C ATOM 398 C HIS A 26 -6.021 3.927 7.595 1.00 10.00 C ATOM 399 O HIS A 26 -5.748 5.090 7.890 1.00 10.00 O ATOM 400 CB HIS A 26 -4.425 3.253 9.450 1.00 10.00 C ATOM 401 CG HIS A 26 -3.487 2.216 10.012 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.731 1.382 11.080 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.181 2.041 9.638 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.594 0.712 11.333 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.621 1.081 10.482 1.00 10.00 N ATOM 0 H HIS A 26 -5.191 0.934 7.359 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.170 2.200 8.856 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.831 4.074 9.048 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -5.020 3.660 10.268 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.675 2.554 8.834 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.478 -0.024 12.115 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.664 0.729 10.458 1.00 10.00 H new ATOM 413 N TYR A 27 -6.858 3.622 6.599 1.00 10.00 N ATOM 414 CA TYR A 27 -7.624 4.582 5.800 1.00 10.00 C ATOM 415 C TYR A 27 -6.773 5.467 4.881 1.00 10.00 C ATOM 416 O TYR A 27 -7.248 5.872 3.821 1.00 10.00 O ATOM 417 CB TYR A 27 -8.584 5.405 6.670 1.00 10.00 C ATOM 418 CG TYR A 27 -9.601 4.548 7.394 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.683 4.008 6.675 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.394 4.171 8.733 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.534 3.070 7.280 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.263 3.253 9.347 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.330 2.696 8.618 1.00 10.00 C ATOM 424 OH TYR A 27 -12.168 1.796 9.204 1.00 10.00 O ATOM 0 H TYR A 27 -7.027 2.657 6.316 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.223 3.975 5.121 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.008 5.973 7.401 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.106 6.128 6.043 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.859 4.316 5.655 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -8.567 4.587 9.289 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.346 2.636 6.716 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -10.112 2.975 10.380 1.00 10.00 H new ATOM 0 HH TYR A 27 -11.889 1.645 10.131 1.00 10.00 H new ATOM 434 N LYS A 28 -5.528 5.780 5.245 1.00 10.00 N ATOM 435 CA LYS A 28 -4.638 6.470 4.325 1.00 10.00 C ATOM 436 C LYS A 28 -4.243 5.502 3.195 1.00 10.00 C ATOM 437 O LYS A 28 -4.434 4.293 3.329 1.00 10.00 O ATOM 438 CB LYS A 28 -3.446 7.100 5.063 1.00 10.00 C ATOM 439 CG LYS A 28 -3.811 7.873 6.340 1.00 10.00 C ATOM 440 CD LYS A 28 -5.075 8.731 6.195 1.00 10.00 C ATOM 441 CE LYS A 28 -5.231 9.801 7.285 1.00 10.00 C ATOM 442 NZ LYS A 28 -4.402 10.997 7.030 1.00 10.00 N ATOM 0 H LYS A 28 -5.123 5.568 6.157 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.150 7.315 3.864 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.740 6.311 5.323 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.931 7.777 4.381 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.954 7.165 7.156 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.975 8.515 6.618 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -5.061 9.219 5.220 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.948 8.079 6.212 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -6.278 10.097 7.351 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.959 9.374 8.250 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.201 11.478 7.930 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.508 10.711 6.583 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.913 11.645 6.398 1.00 10.00 H new ATOM 456 N VAL A 29 -3.715 6.028 2.087 1.00 10.00 N ATOM 457 CA VAL A 29 -3.399 5.278 0.869 1.00 10.00 C ATOM 458 C VAL A 29 -1.903 5.388 0.572 1.00 10.00 C ATOM 459 O VAL A 29 -1.316 6.460 0.728 1.00 10.00 O ATOM 460 CB VAL A 29 -4.244 5.774 -0.312 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.859 5.081 -1.617 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.722 5.454 -0.100 1.00 10.00 C ATOM 0 H VAL A 29 -3.488 7.020 2.011 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.645 4.227 1.022 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.064 6.848 -0.371 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.481 5.461 -2.428 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.811 5.281 -1.839 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.010 4.006 -1.517 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.298 5.816 -0.951 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.851 4.376 -0.007 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.073 5.941 0.810 1.00 10.00 H new ATOM 472 N TYR A 30 -1.306 4.258 0.175 1.00 10.00 N ATOM 473 CA TYR A 30 0.119 3.980 0.234 1.00 10.00 C ATOM 474 C TYR A 30 0.554 3.438 -1.125 1.00 10.00 C ATOM 475 O TYR A 30 0.134 2.337 -1.467 1.00 10.00 O ATOM 476 CB TYR A 30 0.301 2.915 1.329 1.00 10.00 C ATOM 477 CG TYR A 30 0.068 3.449 2.727 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.251 3.655 3.154 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.131 3.764 3.590 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.506 4.197 4.417 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.862 4.229 4.895 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.460 4.409 5.318 1.00 10.00 C ATOM 483 OH TYR A 30 -0.739 4.636 6.633 1.00 10.00 O ATOM 0 H TYR A 30 -1.837 3.479 -0.214 1.00 10.00 H new ATOM 0 HA TYR A 30 0.715 4.864 0.460 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.387 2.091 1.143 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.310 2.508 1.266 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.074 3.394 2.505 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.152 3.651 3.255 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.517 4.453 4.698 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.678 4.446 5.569 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.576 4.187 6.872 1.00 10.00 H new ATOM 493 N ASP A 31 1.372 4.174 -1.887 1.00 10.00 N ATOM 494 CA ASP A 31 1.949 3.692 -3.143 1.00 10.00 C ATOM 495 C ASP A 31 3.277 3.056 -2.815 1.00 10.00 C ATOM 496 O ASP A 31 3.987 3.593 -1.967 1.00 10.00 O ATOM 497 CB ASP A 31 2.273 4.824 -4.123 1.00 10.00 C ATOM 498 CG ASP A 31 3.066 4.294 -5.317 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.584 3.329 -5.953 1.00 10.00 O ATOM 500 OD2 ASP A 31 4.161 4.824 -5.581 1.00 10.00 O ATOM 0 H ASP A 31 1.652 5.125 -1.647 1.00 10.00 H new ATOM 0 HA ASP A 31 1.222 3.018 -3.597 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.349 5.287 -4.470 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.846 5.599 -3.614 1.00 10.00 H new ATOM 505 N LEU A 32 3.632 1.968 -3.498 1.00 10.00 N ATOM 506 CA LEU A 32 4.971 1.420 -3.352 1.00 10.00 C ATOM 507 C LEU A 32 5.703 1.253 -4.687 1.00 10.00 C ATOM 508 O LEU A 32 6.864 1.646 -4.766 1.00 10.00 O ATOM 509 CB LEU A 32 4.978 0.144 -2.501 1.00 10.00 C ATOM 510 CG LEU A 32 3.839 -0.059 -1.488 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.122 -1.378 -0.759 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.729 1.038 -0.430 1.00 10.00 C ATOM 0 H LEU A 32 3.024 1.462 -4.142 1.00 10.00 H new ATOM 0 HA LEU A 32 5.549 2.163 -2.802 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.976 -0.709 -3.180 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.920 0.114 -1.954 1.00 10.00 H new ATOM 0 HG LEU A 32 2.903 -0.048 -2.046 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.336 -1.565 -0.027 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.147 -2.194 -1.481 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.084 -1.314 -0.251 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.900 0.814 0.242 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.656 1.087 0.141 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.552 1.997 -0.917 1.00 10.00 H new ATOM 524 N THR A 33 5.058 0.658 -5.702 1.00 10.00 N ATOM 525 CA THR A 33 5.504 0.463 -7.095 1.00 10.00 C ATOM 526 C THR A 33 6.978 0.086 -7.317 1.00 10.00 C ATOM 527 O THR A 33 7.258 -0.997 -7.811 1.00 10.00 O ATOM 528 CB THR A 33 5.083 1.672 -7.946 1.00 10.00 C ATOM 529 OG1 THR A 33 3.696 1.872 -7.790 1.00 10.00 O ATOM 530 CG2 THR A 33 5.345 1.448 -9.439 1.00 10.00 C ATOM 0 H THR A 33 4.128 0.265 -5.559 1.00 10.00 H new ATOM 0 HA THR A 33 4.991 -0.440 -7.425 1.00 10.00 H new ATOM 0 HB THR A 33 5.667 2.529 -7.610 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.540 2.642 -7.205 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.032 2.329 -10.000 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.409 1.275 -9.600 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.781 0.580 -9.781 1.00 10.00 H new ATOM 538 N LYS A 34 7.935 0.956 -6.998 1.00 10.00 N ATOM 539 CA LYS A 34 9.339 0.579 -6.974 1.00 10.00 C ATOM 540 C LYS A 34 9.576 -0.480 -5.890 1.00 10.00 C ATOM 541 O LYS A 34 10.290 -1.453 -6.109 1.00 10.00 O ATOM 542 CB LYS A 34 10.189 1.837 -6.736 1.00 10.00 C ATOM 543 CG LYS A 34 11.640 1.476 -6.398 1.00 10.00 C ATOM 544 CD LYS A 34 12.553 2.706 -6.472 1.00 10.00 C ATOM 545 CE LYS A 34 13.863 2.458 -5.711 1.00 10.00 C ATOM 546 NZ LYS A 34 14.474 1.162 -6.060 1.00 10.00 N ATOM 0 H LYS A 34 7.758 1.930 -6.752 1.00 10.00 H new ATOM 0 HA LYS A 34 9.631 0.141 -7.929 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.167 2.467 -7.626 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.758 2.420 -5.922 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.686 1.046 -5.397 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.998 0.713 -7.090 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.771 2.941 -7.514 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.041 3.571 -6.051 1.00 10.00 H new ATOM 0 HE2 LYS A 34 14.567 3.261 -5.932 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.670 2.489 -4.639 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 15.268 0.968 -5.417 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 13.764 0.408 -5.970 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 14.822 1.195 -7.039 1.00 10.00 H new ATOM 560 N PHE A 35 8.989 -0.279 -4.709 1.00 10.00 N ATOM 561 CA PHE A 35 9.321 -1.044 -3.508 1.00 10.00 C ATOM 562 C PHE A 35 8.932 -2.509 -3.678 1.00 10.00 C ATOM 563 O PHE A 35 9.474 -3.386 -3.020 1.00 10.00 O ATOM 564 CB PHE A 35 8.576 -0.469 -2.299 1.00 10.00 C ATOM 565 CG PHE A 35 9.239 -0.782 -0.975 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.458 -0.165 -0.641 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.680 -1.741 -0.110 1.00 10.00 C ATOM 568 CE1 PHE A 35 11.103 -0.483 0.566 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.340 -2.079 1.081 1.00 10.00 C ATOM 570 CZ PHE A 35 10.542 -1.439 1.430 1.00 10.00 C ATOM 0 H PHE A 35 8.265 0.424 -4.559 1.00 10.00 H new ATOM 0 HA PHE A 35 10.397 -0.975 -3.348 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.499 0.613 -2.411 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.559 -0.862 -2.289 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.899 0.555 -1.314 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.744 -2.216 -0.363 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.029 0.007 0.830 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.923 -2.833 1.732 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.034 -1.682 2.361 1.00 10.00 H new ATOM 580 N LEU A 36 7.972 -2.750 -4.570 1.00 10.00 N ATOM 581 CA LEU A 36 7.644 -4.052 -5.113 1.00 10.00 C ATOM 582 C LEU A 36 8.902 -4.896 -5.366 1.00 10.00 C ATOM 583 O LEU A 36 8.919 -6.075 -5.014 1.00 10.00 O ATOM 584 CB LEU A 36 6.858 -3.807 -6.404 1.00 10.00 C ATOM 585 CG LEU A 36 5.511 -3.088 -6.245 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.724 -3.293 -7.543 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.683 -3.596 -5.065 1.00 10.00 C ATOM 0 H LEU A 36 7.382 -2.007 -4.945 1.00 10.00 H new ATOM 0 HA LEU A 36 7.047 -4.624 -4.403 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.482 -3.223 -7.080 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.680 -4.768 -6.885 1.00 10.00 H new ATOM 0 HG LEU A 36 5.712 -2.036 -6.044 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.758 -2.794 -7.466 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.284 -2.872 -8.378 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.569 -4.359 -7.710 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.745 -3.043 -5.014 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.472 -4.657 -5.199 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.241 -3.451 -4.140 1.00 10.00 H new ATOM 599 N GLU A 37 9.954 -4.287 -5.927 1.00 10.00 N ATOM 600 CA GLU A 37 11.273 -4.901 -6.004 1.00 10.00 C ATOM 601 C GLU A 37 11.827 -5.093 -4.587 1.00 10.00 C ATOM 602 O GLU A 37 11.963 -6.215 -4.101 1.00 10.00 O ATOM 603 CB GLU A 37 12.216 -4.016 -6.842 1.00 10.00 C ATOM 604 CG GLU A 37 11.808 -3.924 -8.322 1.00 10.00 C ATOM 605 CD GLU A 37 12.276 -5.110 -9.162 1.00 10.00 C ATOM 606 OE1 GLU A 37 12.722 -6.113 -8.565 1.00 10.00 O ATOM 607 OE2 GLU A 37 12.206 -4.972 -10.403 1.00 10.00 O ATOM 0 H GLU A 37 9.908 -3.355 -6.339 1.00 10.00 H new ATOM 0 HA GLU A 37 11.197 -5.875 -6.488 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.237 -3.013 -6.415 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.229 -4.412 -6.776 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.722 -3.850 -8.387 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.216 -3.006 -8.746 1.00 10.00 H new ATOM 614 N GLU A 38 12.159 -3.989 -3.912 1.00 10.00 N ATOM 615 CA GLU A 38 12.830 -3.995 -2.618 1.00 10.00 C ATOM 616 C GLU A 38 11.899 -4.322 -1.441 1.00 10.00 C ATOM 617 O GLU A 38 11.908 -3.627 -0.426 1.00 10.00 O ATOM 618 CB GLU A 38 13.502 -2.638 -2.417 1.00 10.00 C ATOM 619 CG GLU A 38 14.603 -2.394 -3.461 1.00 10.00 C ATOM 620 CD GLU A 38 14.447 -1.072 -4.187 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.397 -0.857 -4.831 1.00 10.00 O ATOM 622 OE2 GLU A 38 15.400 -0.259 -4.167 1.00 10.00 O ATOM 0 H GLU A 38 11.963 -3.050 -4.260 1.00 10.00 H new ATOM 0 HA GLU A 38 13.569 -4.796 -2.630 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.755 -1.847 -2.484 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.931 -2.588 -1.416 1.00 10.00 H new ATOM 0 HG2 GLU A 38 15.575 -2.420 -2.969 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.593 -3.206 -4.189 1.00 10.00 H new ATOM 629 N HIS A 39 11.153 -5.420 -1.539 1.00 10.00 N ATOM 630 CA HIS A 39 10.296 -5.926 -0.480 1.00 10.00 C ATOM 631 C HIS A 39 10.616 -7.403 -0.242 1.00 10.00 C ATOM 632 O HIS A 39 10.406 -8.204 -1.149 1.00 10.00 O ATOM 633 CB HIS A 39 8.824 -5.750 -0.873 1.00 10.00 C ATOM 634 CG HIS A 39 7.872 -6.231 0.192 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.793 -7.063 0.009 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.874 -5.837 1.502 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.157 -7.152 1.192 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.783 -6.430 2.139 1.00 10.00 N ATOM 0 H HIS A 39 11.130 -5.995 -2.381 1.00 10.00 H new ATOM 0 HA HIS A 39 10.474 -5.369 0.440 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.631 -4.697 -1.077 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.632 -6.294 -1.798 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.525 -7.526 -0.860 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.596 -5.180 1.964 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.259 -7.729 1.359 1.00 10.00 H new ATOM 646 N PRO A 40 11.075 -7.803 0.956 1.00 10.00 N ATOM 647 CA PRO A 40 11.271 -9.204 1.311 1.00 10.00 C ATOM 648 C PRO A 40 10.043 -10.081 1.036 1.00 10.00 C ATOM 649 O PRO A 40 10.181 -11.207 0.569 1.00 10.00 O ATOM 650 CB PRO A 40 11.659 -9.199 2.791 1.00 10.00 C ATOM 651 CG PRO A 40 12.375 -7.857 2.932 1.00 10.00 C ATOM 652 CD PRO A 40 11.546 -6.944 2.029 1.00 10.00 C ATOM 0 HA PRO A 40 12.048 -9.651 0.690 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.786 -9.265 3.441 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.309 -10.036 3.044 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.383 -7.508 3.965 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.414 -7.915 2.607 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.713 -6.501 2.574 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.147 -6.121 1.641 1.00 10.00 H new ATOM 660 N GLY A 41 8.836 -9.568 1.302 1.00 10.00 N ATOM 661 CA GLY A 41 7.596 -10.270 0.984 1.00 10.00 C ATOM 662 C GLY A 41 7.367 -10.436 -0.527 1.00 10.00 C ATOM 663 O GLY A 41 6.515 -11.225 -0.932 1.00 10.00 O ATOM 0 H GLY A 41 8.696 -8.658 1.742 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.612 -11.254 1.453 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.756 -9.725 1.415 1.00 10.00 H new ATOM 667 N GLY A 42 8.084 -9.678 -1.363 1.00 10.00 N ATOM 668 CA GLY A 42 7.907 -9.659 -2.806 1.00 10.00 C ATOM 669 C GLY A 42 6.686 -8.844 -3.208 1.00 10.00 C ATOM 670 O GLY A 42 5.920 -8.373 -2.363 1.00 10.00 O ATOM 0 H GLY A 42 8.819 -9.048 -1.041 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.796 -9.240 -3.277 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.802 -10.680 -3.174 1.00 10.00 H new ATOM 674 N GLU A 43 6.532 -8.661 -4.519 1.00 10.00 N ATOM 675 CA GLU A 43 5.427 -7.931 -5.104 1.00 10.00 C ATOM 676 C GLU A 43 4.120 -8.700 -4.905 1.00 10.00 C ATOM 677 O GLU A 43 3.129 -8.123 -4.463 1.00 10.00 O ATOM 678 CB GLU A 43 5.760 -7.620 -6.570 1.00 10.00 C ATOM 679 CG GLU A 43 4.532 -7.159 -7.362 1.00 10.00 C ATOM 680 CD GLU A 43 4.850 -6.771 -8.802 1.00 10.00 C ATOM 681 OE1 GLU A 43 5.990 -6.327 -9.042 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.923 -6.899 -9.635 1.00 10.00 O ATOM 0 H GLU A 43 7.188 -9.026 -5.210 1.00 10.00 H new ATOM 0 HA GLU A 43 5.278 -6.974 -4.604 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.526 -6.846 -6.609 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.180 -8.509 -7.041 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.790 -7.957 -7.364 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.081 -6.306 -6.855 1.00 10.00 H new ATOM 689 N GLU A 44 4.111 -9.997 -5.223 1.00 10.00 N ATOM 690 CA GLU A 44 2.913 -10.825 -5.218 1.00 10.00 C ATOM 691 C GLU A 44 2.076 -10.617 -3.951 1.00 10.00 C ATOM 692 O GLU A 44 0.908 -10.235 -4.034 1.00 10.00 O ATOM 693 CB GLU A 44 3.297 -12.298 -5.403 1.00 10.00 C ATOM 694 CG GLU A 44 4.030 -12.537 -6.732 1.00 10.00 C ATOM 695 CD GLU A 44 4.276 -14.024 -6.956 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.926 -14.622 -6.074 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.802 -14.530 -7.995 1.00 10.00 O ATOM 0 H GLU A 44 4.953 -10.505 -5.495 1.00 10.00 H new ATOM 0 HA GLU A 44 2.285 -10.520 -6.055 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.933 -12.614 -4.576 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.399 -12.914 -5.368 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.440 -12.134 -7.555 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.980 -12.003 -6.729 1.00 10.00 H new ATOM 704 N VAL A 45 2.681 -10.823 -2.776 1.00 10.00 N ATOM 705 CA VAL A 45 1.972 -10.712 -1.506 1.00 10.00 C ATOM 706 C VAL A 45 1.403 -9.303 -1.304 1.00 10.00 C ATOM 707 O VAL A 45 0.333 -9.146 -0.724 1.00 10.00 O ATOM 708 CB VAL A 45 2.870 -11.168 -0.338 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.844 -10.079 0.124 1.00 10.00 C ATOM 710 CG2 VAL A 45 2.025 -11.619 0.859 1.00 10.00 C ATOM 0 H VAL A 45 3.667 -11.069 -2.683 1.00 10.00 H new ATOM 0 HA VAL A 45 1.115 -11.385 -1.529 1.00 10.00 H new ATOM 0 HB VAL A 45 3.455 -12.005 -0.720 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.449 -10.458 0.948 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.494 -9.797 -0.704 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.282 -9.206 0.458 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.682 -11.936 1.669 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.403 -10.790 1.198 1.00 10.00 H new ATOM 0 HG23 VAL A 45 1.388 -12.452 0.562 1.00 10.00 H new ATOM 720 N LEU A 46 2.101 -8.269 -1.785 1.00 10.00 N ATOM 721 CA LEU A 46 1.581 -6.913 -1.728 1.00 10.00 C ATOM 722 C LEU A 46 0.368 -6.812 -2.645 1.00 10.00 C ATOM 723 O LEU A 46 -0.686 -6.332 -2.240 1.00 10.00 O ATOM 724 CB LEU A 46 2.649 -5.891 -2.146 1.00 10.00 C ATOM 725 CG LEU A 46 3.858 -5.854 -1.202 1.00 10.00 C ATOM 726 CD1 LEU A 46 5.001 -5.093 -1.873 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.493 -5.143 0.101 1.00 10.00 C ATOM 0 H LEU A 46 3.022 -8.352 -2.215 1.00 10.00 H new ATOM 0 HA LEU A 46 1.292 -6.687 -0.702 1.00 10.00 H new ATOM 0 HB2 LEU A 46 2.991 -6.126 -3.154 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.197 -4.900 -2.185 1.00 10.00 H new ATOM 0 HG LEU A 46 4.162 -6.877 -0.982 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.861 -5.065 -1.204 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.278 -5.595 -2.800 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.680 -4.075 -2.094 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.360 -5.124 0.761 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.181 -4.122 -0.117 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.677 -5.675 0.590 1.00 10.00 H new ATOM 739 N ARG A 47 0.514 -7.249 -3.894 1.00 10.00 N ATOM 740 CA ARG A 47 -0.459 -6.994 -4.942 1.00 10.00 C ATOM 741 C ARG A 47 -1.754 -7.772 -4.756 1.00 10.00 C ATOM 742 O ARG A 47 -2.829 -7.266 -5.067 1.00 10.00 O ATOM 743 CB ARG A 47 0.174 -7.198 -6.311 1.00 10.00 C ATOM 744 CG ARG A 47 1.042 -5.971 -6.619 1.00 10.00 C ATOM 745 CD ARG A 47 1.562 -6.028 -8.050 1.00 10.00 C ATOM 746 NE ARG A 47 0.513 -5.719 -9.021 1.00 10.00 N ATOM 747 CZ ARG A 47 0.496 -6.148 -10.287 1.00 10.00 C ATOM 748 NH1 ARG A 47 1.545 -6.780 -10.822 1.00 10.00 N ATOM 749 NH2 ARG A 47 -0.595 -5.906 -11.009 1.00 10.00 N ATOM 0 H ARG A 47 1.319 -7.794 -4.205 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.758 -5.948 -4.871 1.00 10.00 H new ATOM 0 HB2 ARG A 47 0.779 -8.105 -6.320 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.596 -7.321 -7.073 1.00 10.00 H new ATOM 0 HG2 ARG A 47 0.460 -5.061 -6.474 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.880 -5.928 -5.923 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.385 -5.322 -8.166 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.963 -7.021 -8.252 1.00 10.00 H new ATOM 0 HE ARG A 47 -0.262 -5.134 -8.710 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.382 -6.944 -10.262 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.509 -7.098 -11.790 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.382 -5.408 -10.593 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -0.644 -6.218 -11.979 1.00 10.00 H new ATOM 763 N GLU A 48 -1.643 -8.960 -4.173 1.00 10.00 N ATOM 764 CA GLU A 48 -2.734 -9.701 -3.548 1.00 10.00 C ATOM 765 C GLU A 48 -3.665 -8.790 -2.722 1.00 10.00 C ATOM 766 O GLU A 48 -4.849 -9.081 -2.567 1.00 10.00 O ATOM 767 CB GLU A 48 -2.075 -10.768 -2.665 1.00 10.00 C ATOM 768 CG GLU A 48 -3.038 -11.697 -1.906 1.00 10.00 C ATOM 769 CD GLU A 48 -3.901 -12.563 -2.818 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.474 -12.792 -3.971 1.00 10.00 O ATOM 771 OE2 GLU A 48 -4.962 -13.007 -2.330 1.00 10.00 O ATOM 0 H GLU A 48 -0.753 -9.455 -4.120 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.373 -10.150 -4.309 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.427 -11.381 -3.291 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.435 -10.267 -1.938 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.460 -12.344 -1.246 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.687 -11.093 -1.272 1.00 10.00 H new ATOM 778 N GLN A 49 -3.135 -7.717 -2.126 1.00 10.00 N ATOM 779 CA GLN A 49 -3.887 -6.777 -1.298 1.00 10.00 C ATOM 780 C GLN A 49 -4.010 -5.394 -1.944 1.00 10.00 C ATOM 781 O GLN A 49 -4.955 -4.659 -1.663 1.00 10.00 O ATOM 782 CB GLN A 49 -3.189 -6.669 0.057 1.00 10.00 C ATOM 783 CG GLN A 49 -2.983 -8.017 0.764 1.00 10.00 C ATOM 784 CD GLN A 49 -4.271 -8.692 1.234 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.501 -8.788 2.436 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.097 -9.210 0.329 1.00 10.00 N ATOM 0 H GLN A 49 -2.148 -7.475 -2.210 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.903 -7.154 -1.182 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.219 -6.192 -0.083 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.775 -6.017 0.705 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.461 -8.692 0.086 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.333 -7.865 1.625 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.887 -9.119 -0.665 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.941 -9.698 0.629 1.00 10.00 H new ATOM 795 N ALA A 50 -3.032 -5.017 -2.769 1.00 10.00 N ATOM 796 CA ALA A 50 -2.993 -3.724 -3.441 1.00 10.00 C ATOM 797 C ALA A 50 -4.285 -3.451 -4.211 1.00 10.00 C ATOM 798 O ALA A 50 -4.933 -4.363 -4.718 1.00 10.00 O ATOM 799 CB ALA A 50 -1.800 -3.619 -4.390 1.00 10.00 C ATOM 0 H ALA A 50 -2.234 -5.613 -2.990 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.886 -2.971 -2.660 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.804 -2.642 -4.873 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.875 -3.742 -3.827 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.869 -4.399 -5.149 1.00 10.00 H new ATOM 805 N GLY A 51 -4.659 -2.176 -4.283 1.00 10.00 N ATOM 806 CA GLY A 51 -5.988 -1.761 -4.666 1.00 10.00 C ATOM 807 C GLY A 51 -7.011 -2.454 -3.794 1.00 10.00 C ATOM 808 O GLY A 51 -8.043 -2.943 -4.246 1.00 10.00 O ATOM 0 H GLY A 51 -4.033 -1.399 -4.072 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.084 -0.680 -4.567 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.167 -2.002 -5.714 1.00 10.00 H new ATOM 812 N GLY A 52 -6.726 -2.386 -2.497 1.00 10.00 N ATOM 813 CA GLY A 52 -7.643 -2.723 -1.457 1.00 10.00 C ATOM 814 C GLY A 52 -6.933 -2.446 -0.145 1.00 10.00 C ATOM 815 O GLY A 52 -5.873 -1.811 -0.088 1.00 10.00 O ATOM 0 H GLY A 52 -5.817 -2.083 -2.149 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.554 -2.130 -1.537 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.937 -3.770 -1.525 1.00 10.00 H new ATOM 819 N ASP A 53 -7.567 -2.935 0.905 1.00 10.00 N ATOM 820 CA ASP A 53 -7.047 -2.882 2.256 1.00 10.00 C ATOM 821 C ASP A 53 -5.853 -3.815 2.403 1.00 10.00 C ATOM 822 O ASP A 53 -5.877 -4.944 1.917 1.00 10.00 O ATOM 823 CB ASP A 53 -8.123 -3.225 3.292 1.00 10.00 C ATOM 824 CG ASP A 53 -7.510 -3.226 4.688 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.754 -2.271 4.968 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.732 -4.195 5.438 1.00 10.00 O ATOM 0 H ASP A 53 -8.478 -3.390 0.839 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.723 -1.858 2.444 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.935 -2.499 3.241 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.554 -4.202 3.073 1.00 10.00 H new ATOM 831 N ALA A 54 -4.825 -3.342 3.104 1.00 10.00 N ATOM 832 CA ALA A 54 -3.776 -4.199 3.631 1.00 10.00 C ATOM 833 C ALA A 54 -3.406 -3.808 5.067 1.00 10.00 C ATOM 834 O ALA A 54 -2.323 -4.164 5.533 1.00 10.00 O ATOM 835 CB ALA A 54 -2.571 -4.158 2.689 1.00 10.00 C ATOM 0 H ALA A 54 -4.700 -2.353 3.320 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.138 -5.226 3.680 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.781 -4.799 3.080 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.869 -4.510 1.702 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.203 -3.135 2.613 1.00 10.00 H new ATOM 841 N THR A 55 -4.286 -3.089 5.778 1.00 10.00 N ATOM 842 CA THR A 55 -4.007 -2.578 7.111 1.00 10.00 C ATOM 843 C THR A 55 -3.683 -3.726 8.065 1.00 10.00 C ATOM 844 O THR A 55 -2.586 -3.789 8.622 1.00 10.00 O ATOM 845 CB THR A 55 -5.194 -1.744 7.638 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.577 -0.739 6.723 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.798 -1.043 8.940 1.00 10.00 C ATOM 0 H THR A 55 -5.216 -2.849 5.434 1.00 10.00 H new ATOM 0 HA THR A 55 -3.137 -1.924 7.053 1.00 10.00 H new ATOM 0 HB THR A 55 -6.024 -2.434 7.790 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.311 -1.068 6.164 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.640 -0.456 9.308 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.523 -1.789 9.686 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.949 -0.385 8.755 1.00 10.00 H new ATOM 855 N GLU A 56 -4.651 -4.630 8.252 1.00 10.00 N ATOM 856 CA GLU A 56 -4.533 -5.743 9.163 1.00 10.00 C ATOM 857 C GLU A 56 -3.324 -6.553 8.730 1.00 10.00 C ATOM 858 O GLU A 56 -2.410 -6.725 9.514 1.00 10.00 O ATOM 859 CB GLU A 56 -5.843 -6.543 9.160 1.00 10.00 C ATOM 860 CG GLU A 56 -5.867 -7.621 10.249 1.00 10.00 C ATOM 861 CD GLU A 56 -7.230 -8.296 10.304 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.520 -9.057 9.357 1.00 10.00 O ATOM 863 OE2 GLU A 56 -7.965 -8.016 11.275 1.00 10.00 O ATOM 0 H GLU A 56 -5.545 -4.597 7.762 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.377 -5.425 10.194 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.682 -5.863 9.306 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.978 -7.011 8.185 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.095 -8.364 10.050 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -5.637 -7.174 11.216 1.00 10.00 H new ATOM 870 N ASN A 57 -3.273 -6.971 7.464 1.00 10.00 N ATOM 871 CA ASN A 57 -2.186 -7.788 6.934 1.00 10.00 C ATOM 872 C ASN A 57 -0.803 -7.194 7.261 1.00 10.00 C ATOM 873 O ASN A 57 0.091 -7.883 7.754 1.00 10.00 O ATOM 874 CB ASN A 57 -2.407 -7.976 5.426 1.00 10.00 C ATOM 875 CG ASN A 57 -1.741 -9.242 4.904 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.725 -9.682 5.422 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.318 -9.858 3.878 1.00 10.00 N ATOM 0 H ASN A 57 -3.991 -6.749 6.775 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.197 -8.765 7.417 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.476 -8.017 5.219 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.012 -7.112 4.891 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.913 -10.717 3.506 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.166 -9.472 3.462 1.00 10.00 H new ATOM 884 N PHE A 58 -0.630 -5.890 7.022 1.00 10.00 N ATOM 885 CA PHE A 58 0.603 -5.187 7.354 1.00 10.00 C ATOM 886 C PHE A 58 0.936 -5.302 8.847 1.00 10.00 C ATOM 887 O PHE A 58 2.026 -5.752 9.207 1.00 10.00 O ATOM 888 CB PHE A 58 0.493 -3.718 6.932 1.00 10.00 C ATOM 889 CG PHE A 58 1.719 -2.891 7.263 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.891 -3.038 6.502 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.723 -2.041 8.385 1.00 10.00 C ATOM 892 CE1 PHE A 58 4.032 -2.275 6.802 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.884 -1.329 8.726 1.00 10.00 C ATOM 894 CZ PHE A 58 4.035 -1.429 7.923 1.00 10.00 C ATOM 0 H PHE A 58 -1.342 -5.298 6.594 1.00 10.00 H new ATOM 0 HA PHE A 58 1.420 -5.655 6.806 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.314 -3.671 5.858 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.375 -3.274 7.419 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.915 -3.741 5.682 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.831 -1.936 8.985 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.906 -2.339 6.171 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.894 -0.703 9.606 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.918 -0.857 8.168 1.00 10.00 H new ATOM 904 N GLU A 59 0.014 -4.861 9.709 1.00 10.00 N ATOM 905 CA GLU A 59 0.240 -4.776 11.148 1.00 10.00 C ATOM 906 C GLU A 59 0.492 -6.169 11.735 1.00 10.00 C ATOM 907 O GLU A 59 1.482 -6.392 12.427 1.00 10.00 O ATOM 908 CB GLU A 59 -0.983 -4.115 11.793 1.00 10.00 C ATOM 909 CG GLU A 59 -1.103 -2.630 11.421 1.00 10.00 C ATOM 910 CD GLU A 59 -0.120 -1.754 12.185 1.00 10.00 C ATOM 911 OE1 GLU A 59 -0.478 -1.334 13.306 1.00 10.00 O ATOM 912 OE2 GLU A 59 0.985 -1.468 11.673 1.00 10.00 O ATOM 0 H GLU A 59 -0.915 -4.552 9.422 1.00 10.00 H new ATOM 0 HA GLU A 59 1.125 -4.174 11.353 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.885 -4.640 11.480 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -0.917 -4.212 12.877 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -0.933 -2.512 10.351 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.119 -2.290 11.622 1.00 10.00 H new ATOM 919 N ASP A 60 -0.424 -7.088 11.433 1.00 10.00 N ATOM 920 CA ASP A 60 -0.403 -8.521 11.687 1.00 10.00 C ATOM 921 C ASP A 60 1.008 -9.093 11.539 1.00 10.00 C ATOM 922 O ASP A 60 1.544 -9.702 12.464 1.00 10.00 O ATOM 923 CB ASP A 60 -1.356 -9.196 10.688 1.00 10.00 C ATOM 924 CG ASP A 60 -1.231 -10.710 10.747 1.00 10.00 C ATOM 925 OD1 ASP A 60 -1.900 -11.311 11.613 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.442 -11.229 9.927 1.00 10.00 O ATOM 0 H ASP A 60 -1.284 -6.816 10.957 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.723 -8.712 12.711 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.383 -8.904 10.907 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.135 -8.849 9.679 1.00 10.00 H new ATOM 931 N HIS A 61 1.622 -8.858 10.378 1.00 10.00 N ATOM 932 CA HIS A 61 2.947 -9.376 10.056 1.00 10.00 C ATOM 933 C HIS A 61 4.070 -8.788 10.926 1.00 10.00 C ATOM 934 O HIS A 61 5.212 -9.226 10.813 1.00 10.00 O ATOM 935 CB HIS A 61 3.213 -9.157 8.567 1.00 10.00 C ATOM 936 CG HIS A 61 2.480 -10.119 7.666 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.306 -10.795 7.928 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.934 -10.544 6.451 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.065 -11.595 6.875 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.035 -11.486 5.948 1.00 10.00 N ATOM 0 H HIS A 61 1.209 -8.299 9.632 1.00 10.00 H new ATOM 0 HA HIS A 61 2.952 -10.442 10.283 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.928 -8.139 8.303 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.284 -9.246 8.383 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.729 -10.705 8.764 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.836 -10.208 5.962 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.205 -12.241 6.784 1.00 10.00 H new ATOM 948 N GLY A 62 3.781 -7.816 11.793 1.00 10.00 N ATOM 949 CA GLY A 62 4.744 -7.280 12.743 1.00 10.00 C ATOM 950 C GLY A 62 5.859 -6.523 12.031 1.00 10.00 C ATOM 951 O GLY A 62 7.025 -6.634 12.402 1.00 10.00 O ATOM 0 H GLY A 62 2.862 -7.378 11.852 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.237 -6.614 13.442 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.171 -8.093 13.330 1.00 10.00 H new ATOM 955 N HIS A 63 5.491 -5.741 11.014 1.00 10.00 N ATOM 956 CA HIS A 63 6.433 -4.933 10.257 1.00 10.00 C ATOM 957 C HIS A 63 7.181 -3.959 11.169 1.00 10.00 C ATOM 958 O HIS A 63 6.578 -3.302 12.019 1.00 10.00 O ATOM 959 CB HIS A 63 5.686 -4.191 9.150 1.00 10.00 C ATOM 960 CG HIS A 63 5.454 -5.055 7.943 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.396 -5.904 7.726 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.246 -5.085 6.832 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.544 -6.422 6.493 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.653 -5.938 5.899 1.00 10.00 N ATOM 0 H HIS A 63 4.526 -5.654 10.696 1.00 10.00 H new ATOM 0 HA HIS A 63 7.180 -5.586 9.805 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.728 -3.840 9.533 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.255 -3.308 8.859 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.638 -6.105 8.379 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.171 -4.543 6.698 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.866 -7.130 6.040 1.00 10.00 H new ATOM 972 N SER A 64 8.500 -3.871 10.986 1.00 10.00 N ATOM 973 CA SER A 64 9.376 -3.087 11.838 1.00 10.00 C ATOM 974 C SER A 64 9.037 -1.597 11.790 1.00 10.00 C ATOM 975 O SER A 64 8.471 -1.096 10.815 1.00 10.00 O ATOM 976 CB SER A 64 10.835 -3.329 11.434 1.00 10.00 C ATOM 977 OG SER A 64 11.113 -4.713 11.508 1.00 10.00 O ATOM 0 H SER A 64 8.989 -4.351 10.230 1.00 10.00 H new ATOM 0 HA SER A 64 9.228 -3.410 12.868 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.010 -2.964 10.422 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.504 -2.775 12.093 1.00 10.00 H new ATOM 0 HG SER A 64 10.641 -5.180 10.787 1.00 10.00 H new ATOM 983 N THR A 65 9.449 -0.883 12.840 1.00 10.00 N ATOM 984 CA THR A 65 9.410 0.564 12.961 1.00 10.00 C ATOM 985 C THR A 65 9.741 1.236 11.633 1.00 10.00 C ATOM 986 O THR A 65 8.999 2.079 11.144 1.00 10.00 O ATOM 987 CB THR A 65 10.446 0.950 14.036 1.00 10.00 C ATOM 988 OG1 THR A 65 11.497 -0.008 14.074 1.00 10.00 O ATOM 989 CG2 THR A 65 9.785 0.943 15.416 1.00 10.00 C ATOM 0 H THR A 65 9.839 -1.329 13.670 1.00 10.00 H new ATOM 0 HA THR A 65 8.411 0.897 13.242 1.00 10.00 H new ATOM 0 HB THR A 65 10.835 1.938 13.790 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.080 0.115 13.296 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.520 1.216 16.173 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.965 1.661 15.430 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.398 -0.053 15.629 1.00 10.00 H new ATOM 997 N ASP A 66 10.860 0.826 11.055 1.00 10.00 N ATOM 998 CA ASP A 66 11.488 1.366 9.868 1.00 10.00 C ATOM 999 C ASP A 66 10.574 1.193 8.654 1.00 10.00 C ATOM 1000 O ASP A 66 10.395 2.115 7.860 1.00 10.00 O ATOM 1001 CB ASP A 66 12.831 0.637 9.691 1.00 10.00 C ATOM 1002 CG ASP A 66 13.676 0.639 10.968 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.162 0.106 11.985 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.797 1.183 10.912 1.00 10.00 O ATOM 0 H ASP A 66 11.391 0.044 11.438 1.00 10.00 H new ATOM 0 HA ASP A 66 11.665 2.437 9.967 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.644 -0.392 9.386 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.394 1.111 8.887 1.00 10.00 H new ATOM 1009 N ALA A 67 9.956 0.015 8.528 1.00 10.00 N ATOM 1010 CA ALA A 67 8.997 -0.283 7.483 1.00 10.00 C ATOM 1011 C ALA A 67 7.792 0.635 7.661 1.00 10.00 C ATOM 1012 O ALA A 67 7.317 1.238 6.706 1.00 10.00 O ATOM 1013 CB ALA A 67 8.589 -1.759 7.550 1.00 10.00 C ATOM 0 H ALA A 67 10.117 -0.765 9.165 1.00 10.00 H new ATOM 0 HA ALA A 67 9.437 -0.110 6.501 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.868 -1.973 6.761 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.470 -2.386 7.417 1.00 10.00 H new ATOM 0 HB3 ALA A 67 8.138 -1.968 8.520 1.00 10.00 H new ATOM 1019 N ARG A 68 7.327 0.762 8.905 1.00 10.00 N ATOM 1020 CA ARG A 68 6.239 1.652 9.290 1.00 10.00 C ATOM 1021 C ARG A 68 6.551 3.102 8.886 1.00 10.00 C ATOM 1022 O ARG A 68 5.725 3.783 8.280 1.00 10.00 O ATOM 1023 CB ARG A 68 5.989 1.482 10.802 1.00 10.00 C ATOM 1024 CG ARG A 68 4.503 1.400 11.188 1.00 10.00 C ATOM 1025 CD ARG A 68 4.291 0.256 12.195 1.00 10.00 C ATOM 1026 NE ARG A 68 2.889 0.158 12.645 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.352 0.874 13.643 1.00 10.00 C ATOM 1028 NH1 ARG A 68 3.071 1.845 14.219 1.00 10.00 N ATOM 1029 NH2 ARG A 68 1.114 0.632 14.074 1.00 10.00 N ATOM 0 H ARG A 68 7.709 0.234 9.690 1.00 10.00 H new ATOM 0 HA ARG A 68 5.322 1.393 8.761 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.492 0.577 11.143 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.445 2.319 11.331 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.178 2.345 11.623 1.00 10.00 H new ATOM 0 HG3 ARG A 68 3.895 1.232 10.299 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.590 -0.687 11.738 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.937 0.411 13.059 1.00 10.00 H new ATOM 0 HE ARG A 68 2.283 -0.504 12.160 1.00 10.00 H new ATOM 0 HH11 ARG A 68 4.020 2.036 13.898 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.670 2.394 14.979 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.560 -0.108 13.643 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.721 1.187 14.835 1.00 10.00 H new ATOM 1043 N GLU A 69 7.760 3.570 9.203 1.00 10.00 N ATOM 1044 CA GLU A 69 8.278 4.874 8.815 1.00 10.00 C ATOM 1045 C GLU A 69 8.184 5.012 7.291 1.00 10.00 C ATOM 1046 O GLU A 69 7.634 5.984 6.764 1.00 10.00 O ATOM 1047 CB GLU A 69 9.719 5.027 9.342 1.00 10.00 C ATOM 1048 CG GLU A 69 10.092 6.482 9.662 1.00 10.00 C ATOM 1049 CD GLU A 69 9.272 7.057 10.807 1.00 10.00 C ATOM 1050 OE1 GLU A 69 8.909 6.304 11.739 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.874 8.241 10.726 1.00 10.00 O ATOM 0 H GLU A 69 8.425 3.029 9.756 1.00 10.00 H new ATOM 0 HA GLU A 69 7.689 5.679 9.254 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.837 4.422 10.241 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.414 4.635 8.600 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.151 6.535 9.916 1.00 10.00 H new ATOM 0 HG3 GLU A 69 9.947 7.095 8.772 1.00 10.00 H new ATOM 1058 N LEU A 70 8.662 3.984 6.587 1.00 10.00 N ATOM 1059 CA LEU A 70 8.524 3.896 5.146 1.00 10.00 C ATOM 1060 C LEU A 70 7.062 4.101 4.719 1.00 10.00 C ATOM 1061 O LEU A 70 6.783 4.891 3.819 1.00 10.00 O ATOM 1062 CB LEU A 70 9.109 2.571 4.612 1.00 10.00 C ATOM 1063 CG LEU A 70 10.361 2.711 3.731 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.316 3.918 2.786 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.617 2.777 4.604 1.00 10.00 C ATOM 0 H LEU A 70 9.153 3.194 7.006 1.00 10.00 H new ATOM 0 HA LEU A 70 9.103 4.703 4.697 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.353 1.933 5.461 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.337 2.058 4.038 1.00 10.00 H new ATOM 0 HG LEU A 70 10.389 1.824 3.098 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.232 3.953 2.196 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.458 3.826 2.119 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.226 4.834 3.370 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.497 2.876 3.969 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.552 3.637 5.271 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.697 1.865 5.195 1.00 10.00 H new ATOM 1077 N SER A 71 6.109 3.453 5.394 1.00 10.00 N ATOM 1078 CA SER A 71 4.694 3.612 5.097 1.00 10.00 C ATOM 1079 C SER A 71 4.299 5.084 5.150 1.00 10.00 C ATOM 1080 O SER A 71 3.583 5.556 4.271 1.00 10.00 O ATOM 1081 CB SER A 71 3.844 2.746 6.040 1.00 10.00 C ATOM 1082 OG SER A 71 4.474 1.508 6.296 1.00 10.00 O ATOM 0 H SER A 71 6.302 2.806 6.159 1.00 10.00 H new ATOM 0 HA SER A 71 4.503 3.264 4.082 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.681 3.276 6.978 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.863 2.574 5.597 1.00 10.00 H new ATOM 0 HG SER A 71 3.807 0.859 6.603 1.00 10.00 H new ATOM 1088 N LYS A 72 4.790 5.824 6.146 1.00 10.00 N ATOM 1089 CA LYS A 72 4.489 7.248 6.245 1.00 10.00 C ATOM 1090 C LYS A 72 4.883 7.946 4.951 1.00 10.00 C ATOM 1091 O LYS A 72 4.056 8.589 4.312 1.00 10.00 O ATOM 1092 CB LYS A 72 5.204 7.911 7.427 1.00 10.00 C ATOM 1093 CG LYS A 72 5.038 7.112 8.717 1.00 10.00 C ATOM 1094 CD LYS A 72 5.690 7.896 9.861 1.00 10.00 C ATOM 1095 CE LYS A 72 5.765 7.077 11.158 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.760 7.642 12.090 1.00 10.00 N ATOM 0 H LYS A 72 5.391 5.463 6.887 1.00 10.00 H new ATOM 0 HA LYS A 72 3.417 7.346 6.414 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.265 8.013 7.198 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.810 8.917 7.571 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.981 6.945 8.926 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.502 6.131 8.617 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.695 8.198 9.566 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.123 8.809 10.042 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.786 7.057 11.636 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.027 6.045 10.925 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.404 6.890 12.408 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.305 8.384 11.607 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.272 8.050 12.913 1.00 10.00 H new ATOM 1110 N THR A 73 6.145 7.797 4.551 1.00 10.00 N ATOM 1111 CA THR A 73 6.611 8.464 3.337 1.00 10.00 C ATOM 1112 C THR A 73 5.896 7.929 2.084 1.00 10.00 C ATOM 1113 O THR A 73 5.739 8.659 1.109 1.00 10.00 O ATOM 1114 CB THR A 73 8.150 8.505 3.242 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.570 9.488 2.317 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.793 7.185 2.833 1.00 10.00 C ATOM 0 H THR A 73 6.846 7.236 5.035 1.00 10.00 H new ATOM 0 HA THR A 73 6.322 9.513 3.398 1.00 10.00 H new ATOM 0 HB THR A 73 8.478 8.737 4.255 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.549 9.499 2.273 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.876 7.305 2.791 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.541 6.416 3.563 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.423 6.889 1.852 1.00 10.00 H new ATOM 1124 N PHE A 74 5.415 6.679 2.113 1.00 10.00 N ATOM 1125 CA PHE A 74 4.631 6.112 1.022 1.00 10.00 C ATOM 1126 C PHE A 74 3.213 6.682 0.955 1.00 10.00 C ATOM 1127 O PHE A 74 2.528 6.442 -0.042 1.00 10.00 O ATOM 1128 CB PHE A 74 4.541 4.590 1.158 1.00 10.00 C ATOM 1129 CG PHE A 74 5.827 3.786 1.127 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.964 4.223 0.418 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.802 2.485 1.654 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.087 3.384 0.304 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.889 1.620 1.461 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.070 2.103 0.882 1.00 10.00 C ATOM 0 H PHE A 74 5.561 6.039 2.894 1.00 10.00 H new ATOM 0 HA PHE A 74 5.150 6.382 0.103 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.034 4.370 2.098 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.900 4.222 0.357 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.973 5.202 -0.038 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.940 2.148 2.211 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.963 3.724 -0.228 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.816 0.584 1.758 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.962 1.494 0.880 1.00 10.00 H new ATOM 1144 N ILE A 75 2.732 7.377 1.995 1.00 10.00 N ATOM 1145 CA ILE A 75 1.414 8.010 1.918 1.00 10.00 C ATOM 1146 C ILE A 75 1.338 8.974 0.733 1.00 10.00 C ATOM 1147 O ILE A 75 2.168 9.867 0.586 1.00 10.00 O ATOM 1148 CB ILE A 75 0.976 8.684 3.233 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.611 7.567 4.212 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.251 9.595 3.046 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.513 8.036 5.667 1.00 10.00 C ATOM 0 H ILE A 75 3.224 7.512 2.878 1.00 10.00 H new ATOM 0 HA ILE A 75 0.697 7.206 1.752 1.00 10.00 H new ATOM 0 HB ILE A 75 1.792 9.309 3.596 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.343 7.131 3.914 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.358 6.776 4.143 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.519 10.045 4.002 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -0.015 10.381 2.328 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.089 9.005 2.675 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.251 7.192 6.305 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.473 8.445 5.983 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.254 8.806 5.750 1.00 10.00 H new ATOM 1163 N ILE A 76 0.305 8.791 -0.090 1.00 10.00 N ATOM 1164 CA ILE A 76 0.074 9.540 -1.324 1.00 10.00 C ATOM 1165 C ILE A 76 -1.313 10.190 -1.351 1.00 10.00 C ATOM 1166 O ILE A 76 -1.613 10.944 -2.279 1.00 10.00 O ATOM 1167 CB ILE A 76 0.200 8.580 -2.520 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.515 7.254 -2.196 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.672 8.350 -2.879 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -0.965 6.481 -3.428 1.00 10.00 C ATOM 0 H ILE A 76 -0.417 8.094 0.091 1.00 10.00 H new ATOM 0 HA ILE A 76 0.817 10.335 -1.379 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.279 9.027 -3.391 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.154 6.625 -1.609 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.384 7.464 -1.573 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.737 7.668 -3.727 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.135 9.301 -3.141 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.192 7.917 -2.024 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.460 5.560 -3.119 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.660 7.090 -4.006 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.098 6.239 -4.042 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.191 9.839 -0.409 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.630 9.942 -0.625 1.00 10.00 C ATOM 1184 C GLY A 77 -4.336 9.285 0.532 1.00 10.00 C ATOM 1185 O GLY A 77 -3.671 8.797 1.446 1.00 10.00 O ATOM 0 H GLY A 77 -1.928 9.481 0.509 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.927 10.988 -0.705 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.908 9.459 -1.562 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.667 9.249 0.467 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.487 8.654 1.495 1.00 10.00 C ATOM 1191 C GLU A 78 -7.753 8.087 0.868 1.00 10.00 C ATOM 1192 O GLU A 78 -8.187 8.576 -0.172 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.875 9.719 2.520 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.727 10.644 2.961 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.981 11.379 4.268 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.001 11.098 4.929 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -5.056 12.096 4.708 1.00 10.00 O ATOM 0 H GLU A 78 -6.200 9.638 -0.311 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.927 7.857 1.985 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.674 10.331 2.102 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.281 9.223 3.401 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.817 10.052 3.062 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.545 11.377 2.175 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.336 7.088 1.522 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.494 6.335 1.070 1.00 10.00 C ATOM 1206 C LEU A 79 -10.752 7.181 1.235 1.00 10.00 C ATOM 1207 O LEU A 79 -11.103 7.560 2.350 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.545 5.051 1.904 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.552 3.969 1.490 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.327 3.531 2.724 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.539 4.300 0.376 1.00 10.00 C ATOM 0 H LEU A 79 -7.994 6.767 2.428 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.427 6.078 0.013 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.551 4.605 1.893 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.758 5.330 2.936 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.932 3.184 1.057 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.048 2.762 2.447 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.635 3.130 3.465 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -11.854 4.387 3.145 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.185 3.441 0.195 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -12.147 5.155 0.671 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.992 4.541 -0.535 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.400 7.519 0.118 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.394 8.575 0.069 1.00 10.00 C ATOM 1225 C HIS A 80 -13.647 8.291 0.903 1.00 10.00 C ATOM 1226 O HIS A 80 -14.451 7.465 0.500 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.819 8.855 -1.372 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.708 10.063 -1.426 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.082 10.066 -1.313 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.265 11.297 -1.050 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.447 11.288 -0.883 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.372 12.071 -0.698 1.00 10.00 N ATOM 0 H HIS A 80 -11.243 7.060 -0.780 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.904 9.446 0.504 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -11.938 9.015 -1.994 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.343 7.990 -1.778 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.235 11.620 -1.028 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.467 11.597 -0.710 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.366 13.036 -0.367 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.905 9.033 1.986 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.893 8.705 2.998 1.00 10.00 C ATOM 1242 C PRO A 81 -16.336 8.430 2.626 1.00 10.00 C ATOM 1243 O PRO A 81 -17.103 7.999 3.488 1.00 10.00 O ATOM 1244 CB PRO A 81 -14.972 9.975 3.835 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.566 10.557 3.816 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.064 10.123 2.447 1.00 10.00 C ATOM 0 HA PRO A 81 -14.546 7.762 3.420 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -15.694 10.677 3.417 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.293 9.756 4.853 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -13.572 11.642 3.924 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -12.949 10.160 4.622 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -13.102 10.956 1.745 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.024 9.803 2.506 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.736 8.723 1.403 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.999 8.194 0.922 1.00 10.00 C ATOM 1256 C ASP A 82 -18.017 6.669 1.149 1.00 10.00 C ATOM 1257 O ASP A 82 -19.000 6.102 1.615 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.163 8.562 -0.554 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.520 8.119 -1.076 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.515 8.736 -0.641 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.525 7.198 -1.918 1.00 10.00 O ATOM 0 H ASP A 82 -16.223 9.306 0.741 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.840 8.624 1.466 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.055 9.639 -0.678 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.373 8.093 -1.140 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.849 6.067 0.906 1.00 10.00 N ATOM 1267 CA ASP A 83 -16.478 4.670 1.038 1.00 10.00 C ATOM 1268 C ASP A 83 -17.017 3.926 2.267 1.00 10.00 C ATOM 1269 O ASP A 83 -17.955 3.141 2.146 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.946 4.602 1.016 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.523 3.149 0.885 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.460 2.683 -0.270 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -14.279 2.536 1.944 1.00 10.00 O ATOM 0 H ASP A 83 -16.056 6.617 0.575 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.948 4.150 0.203 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.554 5.186 0.183 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -14.536 5.034 1.929 1.00 10.00 H new ATOM 1278 N ARG A 84 -16.315 4.087 3.397 1.00 10.00 N ATOM 1279 CA ARG A 84 -16.258 3.089 4.456 1.00 10.00 C ATOM 1280 C ARG A 84 -17.521 3.039 5.331 1.00 10.00 C ATOM 1281 O ARG A 84 -18.580 3.552 4.912 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.953 3.291 5.263 1.00 10.00 C ATOM 1283 CG ARG A 84 -14.643 4.683 5.861 1.00 10.00 C ATOM 1284 CD ARG A 84 -15.435 5.038 7.135 1.00 10.00 C ATOM 1285 NE ARG A 84 -16.843 5.320 6.831 1.00 10.00 N ATOM 1286 CZ ARG A 84 -17.211 6.292 5.985 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -16.522 7.432 5.973 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -18.203 6.132 5.109 1.00 10.00 N ATOM 1289 OXT ARG A 84 -17.382 2.696 6.524 1.00 10.00 O ATOM 0 H ARG A 84 -15.768 4.924 3.597 1.00 10.00 H new ATOM 0 HA ARG A 84 -16.236 2.100 3.997 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.962 2.575 6.085 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -14.121 3.020 4.614 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.578 4.735 6.088 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.845 5.440 5.103 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -15.373 4.213 7.845 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.984 5.907 7.615 1.00 10.00 H new ATOM 0 HE ARG A 84 -17.566 4.757 7.279 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -15.728 7.555 6.601 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -16.788 8.182 5.335 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -18.709 5.247 5.068 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -18.456 6.894 4.480 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.283 -6.162 4.038 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.691 -8.396 5.211 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.566 -3.559 4.351 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.780 -3.922 3.274 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.089 -8.833 3.549 1.00 10.00 C HETATM 1309 NA HEM A 201 8.275 -6.010 4.643 1.00 10.00 N HETATM 1310 C1A HEM A 201 9.035 -7.043 5.117 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.290 -6.481 5.566 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.296 -5.152 5.202 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.983 -4.843 4.694 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.426 -4.162 5.365 1.00 10.00 C HETATM 1315 CAA HEM A 201 11.308 -7.175 6.448 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.903 -7.143 7.927 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.873 -5.724 8.492 1.00 10.00 C HETATM 1318 O1A HEM A 201 9.892 -5.404 9.199 1.00 10.00 O HETATM 1319 O2A HEM A 201 11.850 -4.985 8.251 1.00 10.00 O HETATM 1320 NB HEM A 201 6.205 -4.132 3.794 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.262 -3.266 3.951 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.782 -1.929 3.687 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.447 -2.059 3.382 1.00 10.00 C HETATM 1324 C4B HEM A 201 5.072 -3.443 3.477 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.561 -0.654 3.893 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.555 -1.007 2.762 1.00 10.00 C HETATM 1327 CBB HEM A 201 4.037 -0.029 3.526 1.00 10.00 C HETATM 1328 NC HEM A 201 4.294 -6.340 3.526 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.450 -5.274 3.328 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.113 -5.799 3.187 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.243 -7.165 3.171 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.612 -7.524 3.418 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.825 -5.023 3.064 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.092 -8.141 3.202 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.281 -8.265 2.132 1.00 10.00 C HETATM 1336 ND HEM A 201 6.391 -8.250 4.277 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.388 -9.130 3.967 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.899 -10.464 4.199 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.174 -10.328 4.691 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.477 -8.918 4.750 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.176 -11.778 4.001 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.115 -11.447 5.064 1.00 10.00 C HETATM 1343 CBD HEM A 201 8.227 -11.642 6.580 1.00 10.00 C HETATM 1344 CGD HEM A 201 9.612 -12.169 6.927 1.00 10.00 C HETATM 1345 O1D HEM A 201 10.564 -11.373 6.771 1.00 10.00 O HETATM 1346 O2D HEM A 201 9.696 -13.355 7.309 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.336 -3.380 4.611 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.380 -4.675 5.244 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.378 -3.715 6.358 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.268 -0.788 4.712 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.874 0.157 4.135 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 8.105 -0.408 2.981 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.917 -4.078 3.599 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.008 -5.604 3.492 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.618 -4.826 2.012 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 4.108 -11.635 4.168 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.558 -12.514 4.708 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.339 -12.134 2.984 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.394 0.729 3.079 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.260 0.006 4.592 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.550 -8.970 2.157 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 0.456 -7.660 1.242 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.602 -7.747 8.506 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.919 -7.598 8.041 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.279 -6.695 6.328 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.422 -8.210 6.125 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 7.464 -12.341 6.924 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 8.048 -10.697 7.092 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.103 -11.238 4.654 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.770 -12.374 4.607 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.400 -9.074 5.663 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.285 -2.754 4.397 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.995 -3.210 3.064 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.423 -9.650 3.316 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.332 -1.041 1.696 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.916 -8.747 4.091 1.00 10.00 H new