USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 763 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 96 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 96 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 67:sc= 0.355 USER MOD Set 1.2: A 96 HEM CMB :methyl 150:sc= -0.115 (180deg=-0.115) USER MOD Single : A 1 ASP N :NH3+ -122:sc= 1.17 (180deg=-0.687) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00096) USER MOD Single : A 6 TYR OH : rot 60:sc= 1.23 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 13 GLN : amide:sc= -0.0186 K(o=-0.019,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0.321 (180deg=-1.16!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 0.0597 (180deg=0.0321) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -50:sc= -0.291 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.29) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 103:sc= 1.14 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.609 K(o=0.61,f=-3.9!) USER MOD Single : A 55 THR OG1 : rot 106:sc= 0.409 USER MOD Single : A 57 ASN : amide:sc= -1.64 X(o=-1.6,f=-2) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0574 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -135:sc= 1.35 USER MOD Single : A 80 HIS : no HD1:sc= -0.538 K(o=-0.54,f=-2.5) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= -0.128 (180deg=-0.432) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 HEM CMA :methyl -30:sc= -0.0347 (180deg=-0.137) USER MOD Single : A 96 HEM CMC :methyl -30:sc= -2.93! (180deg=-4.98!) USER MOD Single : A 96 HEM CMD :methyl -30:sc= -1.58 (180deg=-4.28!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 2.896 -11.945 -20.279 1.00 0.00 N ATOM 2 CA ASP A 1 1.716 -12.325 -19.478 1.00 0.00 C ATOM 3 C ASP A 1 1.649 -11.431 -18.239 1.00 0.00 C ATOM 4 O ASP A 1 2.617 -11.463 -17.490 1.00 0.00 O ATOM 5 CB ASP A 1 0.383 -12.561 -20.249 1.00 0.00 C ATOM 6 CG ASP A 1 0.361 -12.298 -21.752 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.325 -11.672 -22.246 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.623 -12.739 -22.373 1.00 0.00 O ATOM 0 H1 ASP A 1 2.593 -11.674 -21.236 1.00 0.00 H new ATOM 0 H2 ASP A 1 3.378 -11.141 -19.828 1.00 0.00 H new ATOM 0 H3 ASP A 1 3.550 -12.752 -20.338 1.00 0.00 H new ATOM 0 HA ASP A 1 1.864 -13.351 -19.140 1.00 0.00 H new ATOM 0 HB2 ASP A 1 0.085 -13.597 -20.088 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.382 -11.934 -19.790 1.00 0.00 H new ATOM 15 N LYS A 2 0.575 -10.670 -18.002 1.00 0.00 N ATOM 16 CA LYS A 2 0.269 -10.103 -16.691 1.00 0.00 C ATOM 17 C LYS A 2 1.378 -9.173 -16.176 1.00 0.00 C ATOM 18 O LYS A 2 2.169 -9.540 -15.311 1.00 0.00 O ATOM 19 CB LYS A 2 -0.061 -11.240 -15.708 1.00 0.00 C ATOM 20 CG LYS A 2 -1.470 -11.791 -15.974 1.00 0.00 C ATOM 21 CD LYS A 2 -1.652 -13.260 -15.559 1.00 0.00 C ATOM 22 CE LYS A 2 -0.989 -13.590 -14.213 1.00 0.00 C ATOM 23 NZ LYS A 2 -1.685 -14.678 -13.494 1.00 0.00 N ATOM 0 H LYS A 2 -0.108 -10.431 -18.721 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.609 -9.464 -16.785 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.673 -12.039 -15.808 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.005 -10.873 -14.684 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.196 -11.179 -15.438 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.693 -11.693 -17.036 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.717 -13.485 -15.498 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.233 -13.905 -16.332 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.049 -13.876 -14.383 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.975 -12.696 -13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -1.201 -14.864 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.669 -14.397 -13.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.676 -15.540 -14.076 1.00 0.00 H new ATOM 37 N ASP A 3 1.358 -7.932 -16.659 1.00 0.00 N ATOM 38 CA ASP A 3 2.188 -6.818 -16.218 1.00 0.00 C ATOM 39 C ASP A 3 1.859 -6.356 -14.791 1.00 0.00 C ATOM 40 O ASP A 3 2.557 -5.497 -14.253 1.00 0.00 O ATOM 41 CB ASP A 3 1.988 -5.659 -17.208 1.00 0.00 C ATOM 42 CG ASP A 3 0.522 -5.245 -17.300 1.00 0.00 C ATOM 43 OD1 ASP A 3 -0.278 -6.137 -17.671 1.00 0.00 O ATOM 44 OD2 ASP A 3 0.227 -4.074 -16.986 1.00 0.00 O ATOM 0 H ASP A 3 0.724 -7.664 -17.412 1.00 0.00 H new ATOM 0 HA ASP A 3 3.227 -7.148 -16.198 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.589 -4.805 -16.895 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.345 -5.956 -18.194 1.00 0.00 H new ATOM 49 N VAL A 4 0.815 -6.917 -14.171 1.00 0.00 N ATOM 50 CA VAL A 4 0.438 -6.648 -12.800 1.00 0.00 C ATOM 51 C VAL A 4 1.406 -7.381 -11.859 1.00 0.00 C ATOM 52 O VAL A 4 2.564 -7.631 -12.187 1.00 0.00 O ATOM 53 CB VAL A 4 -1.050 -7.034 -12.613 1.00 0.00 C ATOM 54 CG1 VAL A 4 -1.930 -6.402 -13.700 1.00 0.00 C ATOM 55 CG2 VAL A 4 -1.283 -8.555 -12.598 1.00 0.00 C ATOM 0 H VAL A 4 0.199 -7.587 -14.631 1.00 0.00 H new ATOM 0 HA VAL A 4 0.519 -5.590 -12.552 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.332 -6.643 -11.635 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.969 -6.692 -13.541 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.845 -5.316 -13.652 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.602 -6.748 -14.680 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.345 -8.759 -12.464 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.948 -8.984 -13.542 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.721 -9.001 -11.777 1.00 0.00 H new ATOM 65 N LYS A 5 0.898 -7.765 -10.692 1.00 0.00 N ATOM 66 CA LYS A 5 1.603 -8.445 -9.621 1.00 0.00 C ATOM 67 C LYS A 5 0.548 -8.976 -8.645 1.00 0.00 C ATOM 68 O LYS A 5 0.311 -8.417 -7.576 1.00 0.00 O ATOM 69 CB LYS A 5 2.650 -7.515 -8.979 1.00 0.00 C ATOM 70 CG LYS A 5 4.063 -7.651 -9.584 1.00 0.00 C ATOM 71 CD LYS A 5 4.614 -6.298 -10.064 1.00 0.00 C ATOM 72 CE LYS A 5 5.751 -6.446 -11.081 1.00 0.00 C ATOM 73 NZ LYS A 5 6.902 -7.189 -10.533 1.00 0.00 N ATOM 0 H LYS A 5 -0.081 -7.597 -10.458 1.00 0.00 H new ATOM 0 HA LYS A 5 2.181 -9.292 -9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.318 -6.482 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.701 -7.725 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.737 -8.074 -8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.034 -8.349 -10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.806 -5.720 -10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.973 -5.732 -9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.378 -6.961 -11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.079 -5.457 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.651 -7.248 -11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.266 -6.695 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.601 -8.148 -10.267 1.00 0.00 H new ATOM 87 N TYR A 6 -0.136 -10.042 -9.060 1.00 0.00 N ATOM 88 CA TYR A 6 -1.083 -10.747 -8.209 1.00 0.00 C ATOM 89 C TYR A 6 -0.345 -11.355 -7.018 1.00 0.00 C ATOM 90 O TYR A 6 0.464 -12.257 -7.226 1.00 0.00 O ATOM 91 CB TYR A 6 -1.795 -11.846 -9.005 1.00 0.00 C ATOM 92 CG TYR A 6 -2.851 -11.336 -9.957 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.041 -10.800 -9.439 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.679 -11.438 -11.348 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.065 -10.397 -10.307 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.680 -10.971 -12.217 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.836 -10.372 -11.689 1.00 0.00 C ATOM 98 OH TYR A 6 -5.643 -9.631 -12.494 1.00 0.00 O ATOM 0 H TYR A 6 -0.046 -10.438 -9.996 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.831 -10.042 -7.846 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.052 -12.408 -9.571 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.258 -12.543 -8.306 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.167 -10.698 -8.371 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.777 -11.876 -11.750 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.027 -10.107 -9.912 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.561 -11.072 -13.286 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.595 -8.689 -12.228 1.00 0.00 H new ATOM 108 N TYR A 7 -0.617 -10.892 -5.793 1.00 0.00 N ATOM 109 CA TYR A 7 0.010 -11.441 -4.592 1.00 0.00 C ATOM 110 C TYR A 7 -1.013 -11.803 -3.515 1.00 0.00 C ATOM 111 O TYR A 7 -2.081 -11.202 -3.424 1.00 0.00 O ATOM 112 CB TYR A 7 1.046 -10.461 -4.047 1.00 0.00 C ATOM 113 CG TYR A 7 2.272 -10.290 -4.924 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.102 -11.395 -5.195 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.648 -9.014 -5.379 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.271 -11.233 -5.956 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.878 -8.840 -6.036 1.00 0.00 C ATOM 118 CZ TYR A 7 4.661 -9.953 -6.374 1.00 0.00 C ATOM 119 OH TYR A 7 5.776 -9.786 -7.143 1.00 0.00 O ATOM 0 H TYR A 7 -1.273 -10.133 -5.610 1.00 0.00 H new ATOM 0 HA TYR A 7 0.508 -12.368 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.572 -9.489 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.364 -10.799 -3.061 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.838 -12.371 -4.816 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.993 -8.169 -5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.869 -12.093 -6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.221 -7.846 -6.281 1.00 0.00 H new ATOM 0 HH TYR A 7 5.914 -10.583 -7.696 1.00 0.00 H new ATOM 129 N THR A 8 -0.685 -12.816 -2.709 1.00 0.00 N ATOM 130 CA THR A 8 -1.541 -13.318 -1.643 1.00 0.00 C ATOM 131 C THR A 8 -1.396 -12.441 -0.395 1.00 0.00 C ATOM 132 O THR A 8 -0.486 -11.617 -0.309 1.00 0.00 O ATOM 133 CB THR A 8 -1.181 -14.781 -1.342 1.00 0.00 C ATOM 134 OG1 THR A 8 0.144 -14.868 -0.863 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.328 -15.679 -2.576 1.00 0.00 C ATOM 0 H THR A 8 0.201 -13.316 -2.784 1.00 0.00 H new ATOM 0 HA THR A 8 -2.583 -13.278 -1.960 1.00 0.00 H new ATOM 0 HB THR A 8 -1.880 -15.131 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.362 -15.804 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.063 -16.703 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.360 -15.650 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.666 -15.323 -3.366 1.00 0.00 H new ATOM 143 N LEU A 9 -2.283 -12.628 0.587 1.00 0.00 N ATOM 144 CA LEU A 9 -2.279 -11.845 1.807 1.00 0.00 C ATOM 145 C LEU A 9 -0.954 -12.050 2.534 1.00 0.00 C ATOM 146 O LEU A 9 -0.174 -11.108 2.646 1.00 0.00 O ATOM 147 CB LEU A 9 -3.467 -12.241 2.699 1.00 0.00 C ATOM 148 CG LEU A 9 -4.875 -11.940 2.154 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.022 -10.499 1.668 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.333 -12.899 1.049 1.00 0.00 C ATOM 0 H LEU A 9 -3.022 -13.330 0.550 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.385 -10.788 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.401 -13.311 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.357 -11.732 3.657 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.527 -12.093 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.034 -10.342 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.830 -9.815 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.307 -10.310 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.334 -12.621 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.643 -12.840 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.349 -13.918 1.435 1.00 0.00 H new ATOM 162 N GLU A 10 -0.683 -13.276 2.998 1.00 0.00 N ATOM 163 CA GLU A 10 0.518 -13.608 3.755 1.00 0.00 C ATOM 164 C GLU A 10 1.778 -13.075 3.078 1.00 0.00 C ATOM 165 O GLU A 10 2.633 -12.494 3.743 1.00 0.00 O ATOM 166 CB GLU A 10 0.628 -15.122 3.949 1.00 0.00 C ATOM 167 CG GLU A 10 -0.494 -15.685 4.828 1.00 0.00 C ATOM 168 CD GLU A 10 -0.225 -17.150 5.148 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.056 -17.892 4.181 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.265 -17.493 6.348 1.00 0.00 O ATOM 0 H GLU A 10 -1.304 -14.072 2.853 1.00 0.00 H new ATOM 0 HA GLU A 10 0.432 -13.127 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.603 -15.612 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.592 -15.358 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.566 -15.110 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.451 -15.587 4.316 1.00 0.00 H new ATOM 177 N GLU A 11 1.895 -13.274 1.760 1.00 0.00 N ATOM 178 CA GLU A 11 3.002 -12.754 0.970 1.00 0.00 C ATOM 179 C GLU A 11 3.216 -11.273 1.295 1.00 0.00 C ATOM 180 O GLU A 11 4.246 -10.892 1.849 1.00 0.00 O ATOM 181 CB GLU A 11 2.720 -12.997 -0.517 1.00 0.00 C ATOM 182 CG GLU A 11 3.909 -12.646 -1.422 1.00 0.00 C ATOM 183 CD GLU A 11 4.547 -13.903 -1.996 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.135 -14.654 -1.186 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.394 -14.102 -3.220 1.00 0.00 O ATOM 0 H GLU A 11 1.216 -13.805 1.214 1.00 0.00 H new ATOM 0 HA GLU A 11 3.928 -13.274 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.456 -14.044 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.855 -12.405 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.574 -12.000 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.650 -12.085 -0.853 1.00 0.00 H new ATOM 192 N ILE A 12 2.226 -10.427 1.007 1.00 0.00 N ATOM 193 CA ILE A 12 2.357 -9.006 1.279 1.00 0.00 C ATOM 194 C ILE A 12 2.509 -8.726 2.776 1.00 0.00 C ATOM 195 O ILE A 12 3.230 -7.812 3.167 1.00 0.00 O ATOM 196 CB ILE A 12 1.190 -8.254 0.634 1.00 0.00 C ATOM 197 CG1 ILE A 12 1.072 -8.606 -0.857 1.00 0.00 C ATOM 198 CG2 ILE A 12 1.383 -6.739 0.773 1.00 0.00 C ATOM 199 CD1 ILE A 12 2.388 -8.640 -1.630 1.00 0.00 C ATOM 0 H ILE A 12 1.337 -10.702 0.590 1.00 0.00 H new ATOM 0 HA ILE A 12 3.277 -8.635 0.828 1.00 0.00 H new ATOM 0 HB ILE A 12 0.278 -8.555 1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.593 -9.581 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.410 -7.882 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.544 -6.221 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.433 -6.474 1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.309 -6.443 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.192 -8.898 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.863 -7.660 -1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.049 -9.386 -1.190 1.00 0.00 H new ATOM 211 N GLN A 13 1.884 -9.548 3.616 1.00 0.00 N ATOM 212 CA GLN A 13 1.987 -9.474 5.065 1.00 0.00 C ATOM 213 C GLN A 13 3.433 -9.651 5.545 1.00 0.00 C ATOM 214 O GLN A 13 3.756 -9.234 6.656 1.00 0.00 O ATOM 215 CB GLN A 13 1.048 -10.510 5.698 1.00 0.00 C ATOM 216 CG GLN A 13 0.456 -10.036 7.025 1.00 0.00 C ATOM 217 CD GLN A 13 -0.483 -11.092 7.602 1.00 0.00 C ATOM 218 OE1 GLN A 13 -0.151 -12.272 7.641 1.00 0.00 O ATOM 219 NE2 GLN A 13 -1.675 -10.692 8.032 1.00 0.00 N ATOM 0 H GLN A 13 1.277 -10.302 3.296 1.00 0.00 H new ATOM 0 HA GLN A 13 1.679 -8.479 5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.239 -10.733 5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.595 -11.439 5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.258 -9.828 7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.086 -9.102 6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.928 -9.705 7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.337 -11.372 8.405 1.00 0.00 H new ATOM 228 N LYS A 14 4.311 -10.247 4.728 1.00 0.00 N ATOM 229 CA LYS A 14 5.735 -10.302 5.026 1.00 0.00 C ATOM 230 C LYS A 14 6.392 -8.952 4.690 1.00 0.00 C ATOM 231 O LYS A 14 7.223 -8.457 5.446 1.00 0.00 O ATOM 232 CB LYS A 14 6.383 -11.479 4.290 1.00 0.00 C ATOM 233 CG LYS A 14 5.880 -12.819 4.866 1.00 0.00 C ATOM 234 CD LYS A 14 5.638 -13.860 3.765 1.00 0.00 C ATOM 235 CE LYS A 14 6.246 -15.233 4.080 1.00 0.00 C ATOM 236 NZ LYS A 14 5.923 -16.222 3.026 1.00 0.00 N ATOM 0 H LYS A 14 4.051 -10.699 3.851 1.00 0.00 H new ATOM 0 HA LYS A 14 5.886 -10.475 6.091 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.150 -11.423 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.468 -11.421 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.610 -13.206 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.955 -12.653 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.565 -13.973 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.057 -13.492 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.328 -15.140 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.871 -15.587 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.348 -17.139 3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.891 -16.327 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.303 -15.895 2.115 1.00 0.00 H new ATOM 250 N HIS A 15 6.011 -8.336 3.564 1.00 0.00 N ATOM 251 CA HIS A 15 6.610 -7.105 3.049 1.00 0.00 C ATOM 252 C HIS A 15 6.167 -5.865 3.838 1.00 0.00 C ATOM 253 O HIS A 15 5.450 -5.001 3.325 1.00 0.00 O ATOM 254 CB HIS A 15 6.274 -6.969 1.557 1.00 0.00 C ATOM 255 CG HIS A 15 7.162 -7.793 0.667 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.310 -7.341 0.059 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.990 -9.105 0.315 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.819 -8.362 -0.650 1.00 0.00 C ATOM 259 NE2 HIS A 15 8.052 -9.458 -0.525 1.00 0.00 N ATOM 0 H HIS A 15 5.259 -8.691 2.974 1.00 0.00 H new ATOM 0 HA HIS A 15 7.691 -7.170 3.174 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.237 -7.265 1.397 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.355 -5.921 1.268 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.182 -9.750 0.628 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.722 -8.309 -1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.212 -10.368 -0.957 1.00 0.00 H new ATOM 267 N LYS A 16 6.626 -5.751 5.085 1.00 0.00 N ATOM 268 CA LYS A 16 6.285 -4.616 5.937 1.00 0.00 C ATOM 269 C LYS A 16 7.290 -4.406 7.072 1.00 0.00 C ATOM 270 O LYS A 16 6.934 -3.926 8.148 1.00 0.00 O ATOM 271 CB LYS A 16 4.865 -4.811 6.471 1.00 0.00 C ATOM 272 CG LYS A 16 4.756 -6.153 7.205 1.00 0.00 C ATOM 273 CD LYS A 16 3.839 -6.058 8.430 1.00 0.00 C ATOM 274 CE LYS A 16 4.245 -7.114 9.467 1.00 0.00 C ATOM 275 NZ LYS A 16 3.940 -6.690 10.843 1.00 0.00 N ATOM 0 H LYS A 16 7.238 -6.436 5.527 1.00 0.00 H new ATOM 0 HA LYS A 16 6.330 -3.707 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.608 -3.996 7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.151 -4.779 5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.373 -6.911 6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.748 -6.478 7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.904 -5.062 8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.802 -6.208 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.726 -8.048 9.253 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.313 -7.315 9.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.394 -7.341 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.299 -5.726 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.911 -6.703 10.990 1.00 0.00 H new ATOM 289 N ASP A 17 8.548 -4.769 6.840 1.00 0.00 N ATOM 290 CA ASP A 17 9.618 -4.698 7.815 1.00 0.00 C ATOM 291 C ASP A 17 10.913 -4.409 7.067 1.00 0.00 C ATOM 292 O ASP A 17 10.916 -4.316 5.838 1.00 0.00 O ATOM 293 CB ASP A 17 9.702 -6.010 8.608 1.00 0.00 C ATOM 294 CG ASP A 17 10.233 -7.183 7.788 1.00 0.00 C ATOM 295 OD1 ASP A 17 10.144 -7.114 6.544 1.00 0.00 O ATOM 296 OD2 ASP A 17 10.747 -8.119 8.433 1.00 0.00 O ATOM 0 H ASP A 17 8.855 -5.132 5.937 1.00 0.00 H new ATOM 0 HA ASP A 17 9.432 -3.902 8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.346 -5.861 9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.711 -6.261 8.987 1.00 0.00 H new ATOM 301 N SER A 18 12.005 -4.230 7.817 1.00 0.00 N ATOM 302 CA SER A 18 13.321 -3.876 7.300 1.00 0.00 C ATOM 303 C SER A 18 13.290 -2.494 6.633 1.00 0.00 C ATOM 304 O SER A 18 13.768 -1.515 7.204 1.00 0.00 O ATOM 305 CB SER A 18 13.866 -4.998 6.392 1.00 0.00 C ATOM 306 OG SER A 18 15.042 -5.544 6.959 1.00 0.00 O ATOM 0 H SER A 18 11.992 -4.332 8.832 1.00 0.00 H new ATOM 0 HA SER A 18 14.026 -3.790 8.127 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.114 -5.778 6.270 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.079 -4.603 5.399 1.00 0.00 H new ATOM 0 HG SER A 18 15.384 -6.257 6.380 1.00 0.00 H new ATOM 312 N LYS A 19 12.695 -2.409 5.441 1.00 0.00 N ATOM 313 CA LYS A 19 12.493 -1.182 4.687 1.00 0.00 C ATOM 314 C LYS A 19 11.408 -1.360 3.614 1.00 0.00 C ATOM 315 O LYS A 19 10.704 -0.406 3.294 1.00 0.00 O ATOM 316 CB LYS A 19 13.820 -0.726 4.059 1.00 0.00 C ATOM 317 CG LYS A 19 13.853 0.800 3.891 1.00 0.00 C ATOM 318 CD LYS A 19 14.256 1.194 2.468 1.00 0.00 C ATOM 319 CE LYS A 19 14.394 2.719 2.386 1.00 0.00 C ATOM 320 NZ LYS A 19 14.421 3.193 0.989 1.00 0.00 N ATOM 0 H LYS A 19 12.328 -3.230 4.960 1.00 0.00 H new ATOM 0 HA LYS A 19 12.148 -0.409 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.652 -1.044 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.951 -1.205 3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.872 1.215 4.121 1.00 0.00 H new ATOM 0 HG3 LYS A 19 14.556 1.231 4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.198 0.717 2.199 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.508 0.846 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.563 3.188 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.308 3.029 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.749 4.180 0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.068 2.598 0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.465 3.135 0.584 1.00 0.00 H new ATOM 334 N SER A 20 11.292 -2.561 3.030 1.00 0.00 N ATOM 335 CA SER A 20 10.334 -2.908 1.989 1.00 0.00 C ATOM 336 C SER A 20 8.870 -2.854 2.446 1.00 0.00 C ATOM 337 O SER A 20 8.213 -3.886 2.555 1.00 0.00 O ATOM 338 CB SER A 20 10.695 -4.297 1.462 1.00 0.00 C ATOM 339 OG SER A 20 12.061 -4.307 1.087 1.00 0.00 O ATOM 0 H SER A 20 11.892 -3.345 3.286 1.00 0.00 H new ATOM 0 HA SER A 20 10.405 -2.158 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.509 -5.050 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.068 -4.550 0.607 1.00 0.00 H new ATOM 0 HG SER A 20 12.301 -5.195 0.749 1.00 0.00 H new ATOM 345 N THR A 21 8.358 -1.649 2.687 1.00 0.00 N ATOM 346 CA THR A 21 6.998 -1.378 3.095 1.00 0.00 C ATOM 347 C THR A 21 6.024 -1.452 1.923 1.00 0.00 C ATOM 348 O THR A 21 5.983 -0.538 1.097 1.00 0.00 O ATOM 349 CB THR A 21 6.995 0.027 3.693 1.00 0.00 C ATOM 350 OG1 THR A 21 8.006 0.089 4.675 1.00 0.00 O ATOM 351 CG2 THR A 21 5.643 0.330 4.325 1.00 0.00 C ATOM 0 H THR A 21 8.915 -0.799 2.596 1.00 0.00 H new ATOM 0 HA THR A 21 6.669 -2.127 3.816 1.00 0.00 H new ATOM 0 HB THR A 21 7.179 0.763 2.911 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.916 -0.672 5.286 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.656 1.335 4.747 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.864 0.265 3.566 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.441 -0.393 5.115 1.00 0.00 H new ATOM 359 N TRP A 22 5.203 -2.503 1.875 1.00 0.00 N ATOM 360 CA TRP A 22 4.103 -2.598 0.928 1.00 0.00 C ATOM 361 C TRP A 22 2.763 -2.476 1.648 1.00 0.00 C ATOM 362 O TRP A 22 2.629 -2.811 2.827 1.00 0.00 O ATOM 363 CB TRP A 22 4.189 -3.911 0.173 1.00 0.00 C ATOM 364 CG TRP A 22 5.278 -4.029 -0.848 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.387 -3.269 -1.001 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.319 -4.992 -1.925 1.00 0.00 C ATOM 367 NE1 TRP A 22 7.093 -3.693 -2.106 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.481 -4.769 -2.711 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.446 -6.010 -2.331 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.767 -5.543 -3.842 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.788 -6.870 -3.387 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.944 -6.636 -4.150 1.00 0.00 C ATOM 0 H TRP A 22 5.286 -3.310 2.494 1.00 0.00 H new ATOM 0 HA TRP A 22 4.177 -1.777 0.215 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.315 -4.714 0.900 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.235 -4.080 -0.326 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.675 -2.453 -0.355 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.959 -3.265 -2.434 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.499 -6.135 -1.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.612 -5.301 -4.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.158 -7.717 -3.614 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.197 -7.294 -4.968 1.00 0.00 H new ATOM 383 N VAL A 23 1.764 -1.997 0.911 1.00 0.00 N ATOM 384 CA VAL A 23 0.412 -1.758 1.390 1.00 0.00 C ATOM 385 C VAL A 23 -0.563 -2.165 0.292 1.00 0.00 C ATOM 386 O VAL A 23 -0.207 -2.170 -0.889 1.00 0.00 O ATOM 387 CB VAL A 23 0.200 -0.277 1.749 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.622 0.056 3.179 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.944 0.665 0.811 1.00 0.00 C ATOM 0 H VAL A 23 1.882 -1.757 -0.073 1.00 0.00 H new ATOM 0 HA VAL A 23 0.244 -2.345 2.293 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.875 -0.127 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.448 1.115 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.038 -0.541 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.681 -0.167 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.759 1.697 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.013 0.458 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.592 0.515 -0.210 1.00 0.00 H new ATOM 399 N ILE A 24 -1.791 -2.491 0.701 1.00 0.00 N ATOM 400 CA ILE A 24 -2.882 -2.867 -0.172 1.00 0.00 C ATOM 401 C ILE A 24 -4.035 -1.881 0.020 1.00 0.00 C ATOM 402 O ILE A 24 -4.604 -1.821 1.110 1.00 0.00 O ATOM 403 CB ILE A 24 -3.270 -4.335 0.059 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.672 -4.641 1.504 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.083 -5.232 -0.294 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.143 -5.036 1.613 1.00 0.00 C ATOM 0 H ILE A 24 -2.052 -2.498 1.687 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.581 -2.806 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.135 -4.526 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.050 -5.448 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.484 -3.766 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.354 -6.275 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.815 -5.086 -1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.233 -4.976 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.387 -5.245 2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.767 -4.219 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.326 -5.927 1.012 1.00 0.00 H new ATOM 418 N LEU A 25 -4.335 -1.066 -1.000 1.00 0.00 N ATOM 419 CA LEU A 25 -5.411 -0.075 -0.952 1.00 0.00 C ATOM 420 C LEU A 25 -6.492 -0.454 -1.967 1.00 0.00 C ATOM 421 O LEU A 25 -6.281 -0.297 -3.167 1.00 0.00 O ATOM 422 CB LEU A 25 -4.928 1.372 -1.167 1.00 0.00 C ATOM 423 CG LEU A 25 -3.644 1.759 -0.421 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.421 3.262 -0.549 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.701 1.499 1.078 1.00 0.00 C ATOM 0 H LEU A 25 -3.832 -1.078 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.824 -0.093 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.768 1.528 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.724 2.051 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.858 1.151 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.510 3.541 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.325 3.527 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.269 3.794 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.758 1.798 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.515 2.076 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.871 0.437 1.257 1.00 0.00 H new ATOM 437 N HIS A 26 -7.638 -0.959 -1.500 1.00 0.00 N ATOM 438 CA HIS A 26 -8.752 -1.409 -2.335 1.00 0.00 C ATOM 439 C HIS A 26 -8.325 -2.594 -3.202 1.00 0.00 C ATOM 440 O HIS A 26 -8.409 -2.557 -4.428 1.00 0.00 O ATOM 441 CB HIS A 26 -9.365 -0.262 -3.158 1.00 0.00 C ATOM 442 CG HIS A 26 -10.058 0.780 -2.321 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.421 0.911 -2.165 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.461 1.788 -1.612 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.637 1.976 -1.375 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.473 2.547 -1.021 1.00 0.00 N ATOM 0 H HIS A 26 -7.820 -1.068 -0.502 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.549 -1.754 -1.676 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.578 0.217 -3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.079 -0.678 -3.869 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.399 1.964 -1.526 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.611 2.325 -1.067 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -10.352 3.373 -0.435 1.00 0.00 H new ATOM 454 N HIS A 27 -7.869 -3.656 -2.531 1.00 0.00 N ATOM 455 CA HIS A 27 -7.488 -4.934 -3.129 1.00 0.00 C ATOM 456 C HIS A 27 -6.360 -4.800 -4.154 1.00 0.00 C ATOM 457 O HIS A 27 -6.141 -5.708 -4.950 1.00 0.00 O ATOM 458 CB HIS A 27 -8.712 -5.639 -3.734 1.00 0.00 C ATOM 459 CG HIS A 27 -9.897 -5.665 -2.806 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.865 -5.972 -1.464 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.151 -5.198 -3.096 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.077 -5.689 -0.959 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.896 -5.219 -1.914 1.00 0.00 N ATOM 0 H HIS A 27 -7.752 -3.646 -1.518 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.094 -5.553 -2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.993 -5.136 -4.659 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.442 -6.662 -3.997 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.501 -4.872 -4.064 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.356 -5.822 0.076 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.869 -4.934 -1.799 1.00 0.00 H new ATOM 471 N LYS A 28 -5.636 -3.683 -4.122 1.00 0.00 N ATOM 472 CA LYS A 28 -4.610 -3.319 -5.076 1.00 0.00 C ATOM 473 C LYS A 28 -3.335 -3.092 -4.288 1.00 0.00 C ATOM 474 O LYS A 28 -3.385 -2.395 -3.279 1.00 0.00 O ATOM 475 CB LYS A 28 -5.068 -2.069 -5.824 1.00 0.00 C ATOM 476 CG LYS A 28 -5.694 -2.494 -7.153 1.00 0.00 C ATOM 477 CD LYS A 28 -6.524 -1.342 -7.726 1.00 0.00 C ATOM 478 CE LYS A 28 -6.547 -1.438 -9.256 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.132 -0.229 -9.864 1.00 0.00 N ATOM 0 H LYS A 28 -5.760 -2.980 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.429 -4.094 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.791 -1.515 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.223 -1.403 -6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.914 -2.779 -7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.325 -3.371 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.540 -1.382 -7.333 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.100 -0.386 -7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.532 -1.579 -9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.122 -2.313 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.132 -0.327 -10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.109 -0.109 -9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.568 0.602 -9.595 1.00 0.00 H new ATOM 493 N VAL A 29 -2.228 -3.712 -4.702 1.00 0.00 N ATOM 494 CA VAL A 29 -0.984 -3.697 -3.952 1.00 0.00 C ATOM 495 C VAL A 29 -0.102 -2.594 -4.534 1.00 0.00 C ATOM 496 O VAL A 29 0.039 -2.491 -5.758 1.00 0.00 O ATOM 497 CB VAL A 29 -0.295 -5.079 -3.954 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.879 -5.064 -2.957 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.240 -6.240 -3.586 1.00 0.00 C ATOM 0 H VAL A 29 -2.176 -4.240 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.180 -3.483 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 29 0.047 -5.253 -4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.368 -6.038 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.597 -4.298 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.504 -4.845 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.688 -7.179 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.642 -6.079 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.059 -6.284 -4.304 1.00 0.00 H new ATOM 509 N TYR A 30 0.466 -1.770 -3.650 1.00 0.00 N ATOM 510 CA TYR A 30 1.326 -0.649 -3.995 1.00 0.00 C ATOM 511 C TYR A 30 2.694 -0.860 -3.354 1.00 0.00 C ATOM 512 O TYR A 30 2.761 -1.198 -2.168 1.00 0.00 O ATOM 513 CB TYR A 30 0.700 0.657 -3.495 1.00 0.00 C ATOM 514 CG TYR A 30 -0.687 0.925 -4.036 1.00 0.00 C ATOM 515 CD1 TYR A 30 -1.807 0.346 -3.419 1.00 0.00 C ATOM 516 CD2 TYR A 30 -0.853 1.679 -5.208 1.00 0.00 C ATOM 517 CE1 TYR A 30 -3.079 0.509 -3.988 1.00 0.00 C ATOM 518 CE2 TYR A 30 -2.132 1.846 -5.769 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.249 1.271 -5.149 1.00 0.00 C ATOM 520 OH TYR A 30 -4.498 1.436 -5.673 1.00 0.00 O ATOM 0 H TYR A 30 0.332 -1.873 -2.644 1.00 0.00 H new ATOM 0 HA TYR A 30 1.439 -0.587 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.655 0.632 -2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.351 1.487 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.690 -0.223 -2.509 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.005 2.133 -5.681 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.936 0.042 -3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.253 2.417 -6.677 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.444 1.992 -6.478 1.00 0.00 H new ATOM 530 N ASP A 31 3.769 -0.641 -4.121 1.00 0.00 N ATOM 531 CA ASP A 31 5.110 -0.567 -3.553 1.00 0.00 C ATOM 532 C ASP A 31 5.379 0.883 -3.190 1.00 0.00 C ATOM 533 O ASP A 31 5.460 1.729 -4.078 1.00 0.00 O ATOM 534 CB ASP A 31 6.200 -1.042 -4.522 1.00 0.00 C ATOM 535 CG ASP A 31 7.582 -0.751 -3.939 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.678 -0.681 -2.690 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.531 -0.590 -4.730 1.00 0.00 O ATOM 0 H ASP A 31 3.731 -0.513 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 31 5.145 -1.226 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.092 -2.111 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.088 -0.539 -5.483 1.00 0.00 H new ATOM 542 N LEU A 32 5.530 1.167 -1.896 1.00 0.00 N ATOM 543 CA LEU A 32 5.863 2.497 -1.420 1.00 0.00 C ATOM 544 C LEU A 32 7.235 2.494 -0.735 1.00 0.00 C ATOM 545 O LEU A 32 7.557 3.431 -0.005 1.00 0.00 O ATOM 546 CB LEU A 32 4.716 2.977 -0.523 1.00 0.00 C ATOM 547 CG LEU A 32 3.349 2.900 -1.238 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.265 3.318 -0.276 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.207 3.801 -2.468 1.00 0.00 C ATOM 0 H LEU A 32 5.423 0.476 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 32 5.960 3.205 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.686 2.371 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.905 4.005 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 32 3.266 1.866 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.297 3.266 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.266 2.651 0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.448 4.340 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.214 3.675 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.346 4.842 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.960 3.529 -3.207 1.00 0.00 H new ATOM 561 N THR A 33 8.085 1.498 -1.018 1.00 0.00 N ATOM 562 CA THR A 33 9.408 1.341 -0.413 1.00 0.00 C ATOM 563 C THR A 33 10.329 2.555 -0.639 1.00 0.00 C ATOM 564 O THR A 33 11.271 2.782 0.129 1.00 0.00 O ATOM 565 CB THR A 33 10.038 0.045 -0.950 1.00 0.00 C ATOM 566 OG1 THR A 33 9.203 -1.047 -0.626 1.00 0.00 O ATOM 567 CG2 THR A 33 11.429 -0.223 -0.372 1.00 0.00 C ATOM 0 H THR A 33 7.864 0.763 -1.690 1.00 0.00 H new ATOM 0 HA THR A 33 9.285 1.278 0.668 1.00 0.00 H new ATOM 0 HB THR A 33 10.141 0.164 -2.029 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.698 -1.320 -1.420 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.823 -1.151 -0.787 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.095 0.601 -0.629 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.362 -0.311 0.712 1.00 0.00 H new ATOM 575 N LYS A 34 10.094 3.323 -1.709 1.00 0.00 N ATOM 576 CA LYS A 34 10.813 4.552 -2.005 1.00 0.00 C ATOM 577 C LYS A 34 9.914 5.787 -1.902 1.00 0.00 C ATOM 578 O LYS A 34 10.298 6.850 -2.378 1.00 0.00 O ATOM 579 CB LYS A 34 11.417 4.442 -3.406 1.00 0.00 C ATOM 580 CG LYS A 34 12.432 3.300 -3.497 1.00 0.00 C ATOM 581 CD LYS A 34 13.385 3.549 -4.671 1.00 0.00 C ATOM 582 CE LYS A 34 14.076 2.241 -5.086 1.00 0.00 C ATOM 583 NZ LYS A 34 15.426 2.469 -5.641 1.00 0.00 N ATOM 0 H LYS A 34 9.382 3.096 -2.404 1.00 0.00 H new ATOM 0 HA LYS A 34 11.602 4.679 -1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.622 4.281 -4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.903 5.382 -3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.996 3.227 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.914 2.350 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.832 3.960 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.133 4.290 -4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.148 1.581 -4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.463 1.729 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.851 1.557 -5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.357 3.077 -6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.021 2.934 -4.926 1.00 0.00 H new ATOM 597 N PHE A 35 8.739 5.662 -1.282 1.00 0.00 N ATOM 598 CA PHE A 35 7.801 6.766 -1.116 1.00 0.00 C ATOM 599 C PHE A 35 7.635 7.130 0.361 1.00 0.00 C ATOM 600 O PHE A 35 6.980 8.110 0.688 1.00 0.00 O ATOM 601 CB PHE A 35 6.474 6.391 -1.781 1.00 0.00 C ATOM 602 CG PHE A 35 5.377 7.432 -1.687 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.575 8.727 -2.203 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.171 7.122 -1.035 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.550 9.683 -2.125 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.128 8.056 -1.005 1.00 0.00 C ATOM 607 CZ PHE A 35 3.320 9.343 -1.539 1.00 0.00 C ATOM 0 H PHE A 35 8.412 4.784 -0.879 1.00 0.00 H new ATOM 0 HA PHE A 35 8.189 7.660 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.662 6.182 -2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.112 5.466 -1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.519 8.986 -2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.048 6.162 -0.556 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.707 10.678 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.176 7.788 -0.572 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.522 10.069 -1.498 1.00 0.00 H new ATOM 617 N LEU A 36 8.250 6.364 1.264 1.00 0.00 N ATOM 618 CA LEU A 36 8.127 6.549 2.697 1.00 0.00 C ATOM 619 C LEU A 36 8.430 7.994 3.101 1.00 0.00 C ATOM 620 O LEU A 36 7.613 8.649 3.740 1.00 0.00 O ATOM 621 CB LEU A 36 9.062 5.550 3.395 1.00 0.00 C ATOM 622 CG LEU A 36 8.632 4.084 3.243 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.541 3.166 4.069 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.180 3.882 3.687 1.00 0.00 C ATOM 0 H LEU A 36 8.857 5.585 1.007 1.00 0.00 H new ATOM 0 HA LEU A 36 7.100 6.358 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.068 5.667 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.113 5.795 4.456 1.00 0.00 H new ATOM 0 HG LEU A 36 8.717 3.829 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.220 2.131 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.570 3.269 3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.480 3.444 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.905 2.834 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.077 4.167 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.523 4.501 3.076 1.00 0.00 H new ATOM 636 N GLU A 37 9.604 8.496 2.712 1.00 0.00 N ATOM 637 CA GLU A 37 10.024 9.847 3.051 1.00 0.00 C ATOM 638 C GLU A 37 9.265 10.865 2.188 1.00 0.00 C ATOM 639 O GLU A 37 8.729 11.843 2.702 1.00 0.00 O ATOM 640 CB GLU A 37 11.555 9.931 2.929 1.00 0.00 C ATOM 641 CG GLU A 37 12.185 11.019 3.816 1.00 0.00 C ATOM 642 CD GLU A 37 12.322 12.357 3.105 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.076 12.379 2.108 1.00 0.00 O ATOM 644 OE2 GLU A 37 11.703 13.328 3.585 1.00 0.00 O ATOM 0 H GLU A 37 10.283 7.976 2.156 1.00 0.00 H new ATOM 0 HA GLU A 37 9.774 10.096 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.986 8.965 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.818 10.124 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.576 11.149 4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.169 10.686 4.146 1.00 0.00 H new ATOM 651 N GLU A 38 9.170 10.601 0.878 1.00 0.00 N ATOM 652 CA GLU A 38 8.494 11.483 -0.067 1.00 0.00 C ATOM 653 C GLU A 38 7.043 11.770 0.330 1.00 0.00 C ATOM 654 O GLU A 38 6.551 12.870 0.082 1.00 0.00 O ATOM 655 CB GLU A 38 8.525 10.855 -1.463 1.00 0.00 C ATOM 656 CG GLU A 38 9.893 10.953 -2.156 1.00 0.00 C ATOM 657 CD GLU A 38 9.771 11.672 -3.496 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.111 11.092 -4.385 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.310 12.793 -3.599 1.00 0.00 O ATOM 0 H GLU A 38 9.564 9.764 0.448 1.00 0.00 H new ATOM 0 HA GLU A 38 9.027 12.434 -0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.242 9.805 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.776 11.342 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.594 11.487 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.300 9.954 -2.310 1.00 0.00 H new ATOM 666 N HIS A 39 6.337 10.778 0.882 1.00 0.00 N ATOM 667 CA HIS A 39 4.936 10.890 1.254 1.00 0.00 C ATOM 668 C HIS A 39 4.693 12.152 2.087 1.00 0.00 C ATOM 669 O HIS A 39 5.144 12.210 3.234 1.00 0.00 O ATOM 670 CB HIS A 39 4.497 9.636 2.017 1.00 0.00 C ATOM 671 CG HIS A 39 3.086 9.713 2.544 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.737 9.736 3.869 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.927 9.676 1.818 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.397 9.689 3.936 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.852 9.628 2.705 1.00 0.00 N ATOM 0 H HIS A 39 6.737 9.861 1.084 1.00 0.00 H new ATOM 0 HA HIS A 39 4.338 10.973 0.347 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.583 8.772 1.359 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.179 9.471 2.851 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.379 9.781 4.661 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.857 9.683 0.740 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.830 9.699 4.855 1.00 0.00 H new ATOM 683 N PRO A 40 3.969 13.151 1.550 1.00 0.00 N ATOM 684 CA PRO A 40 3.687 14.388 2.256 1.00 0.00 C ATOM 685 C PRO A 40 2.689 14.084 3.372 1.00 0.00 C ATOM 686 O PRO A 40 1.480 14.241 3.216 1.00 0.00 O ATOM 687 CB PRO A 40 3.162 15.366 1.202 1.00 0.00 C ATOM 688 CG PRO A 40 2.589 14.468 0.112 1.00 0.00 C ATOM 689 CD PRO A 40 3.352 13.151 0.233 1.00 0.00 C ATOM 0 HA PRO A 40 4.557 14.835 2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.400 16.026 1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.959 16.002 0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.518 14.316 0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.724 14.912 -0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.679 12.301 0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.107 13.067 -0.549 1.00 0.00 H new ATOM 697 N GLY A 41 3.228 13.590 4.484 1.00 0.00 N ATOM 698 CA GLY A 41 2.483 13.054 5.604 1.00 0.00 C ATOM 699 C GLY A 41 3.382 12.174 6.471 1.00 0.00 C ATOM 700 O GLY A 41 3.177 12.109 7.682 1.00 0.00 O ATOM 0 H GLY A 41 4.237 13.554 4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.076 13.870 6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.636 12.472 5.240 1.00 0.00 H new ATOM 704 N GLY A 42 4.385 11.508 5.874 1.00 0.00 N ATOM 705 CA GLY A 42 5.398 10.780 6.626 1.00 0.00 C ATOM 706 C GLY A 42 5.589 9.338 6.211 1.00 0.00 C ATOM 707 O GLY A 42 4.762 8.784 5.488 1.00 0.00 O ATOM 0 H GLY A 42 4.508 11.464 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.350 11.301 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.133 10.806 7.683 1.00 0.00 H new ATOM 711 N GLU A 43 6.631 8.717 6.775 1.00 0.00 N ATOM 712 CA GLU A 43 6.917 7.312 6.570 1.00 0.00 C ATOM 713 C GLU A 43 6.101 6.462 7.552 1.00 0.00 C ATOM 714 O GLU A 43 5.528 5.449 7.167 1.00 0.00 O ATOM 715 CB GLU A 43 8.426 7.036 6.800 1.00 0.00 C ATOM 716 CG GLU A 43 8.742 5.545 7.087 1.00 0.00 C ATOM 717 CD GLU A 43 10.214 5.143 6.969 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.977 5.912 6.348 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.540 4.037 7.468 1.00 0.00 O ATOM 0 H GLU A 43 7.297 9.187 7.388 1.00 0.00 H new ATOM 0 HA GLU A 43 6.649 7.050 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.985 7.355 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.775 7.641 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.399 5.308 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.161 4.931 6.399 1.00 0.00 H new ATOM 726 N GLU A 44 6.100 6.822 8.843 1.00 0.00 N ATOM 727 CA GLU A 44 5.612 5.931 9.898 1.00 0.00 C ATOM 728 C GLU A 44 4.161 5.531 9.639 1.00 0.00 C ATOM 729 O GLU A 44 3.827 4.350 9.647 1.00 0.00 O ATOM 730 CB GLU A 44 5.803 6.565 11.282 1.00 0.00 C ATOM 731 CG GLU A 44 5.700 5.510 12.396 1.00 0.00 C ATOM 732 CD GLU A 44 6.026 6.094 13.767 1.00 0.00 C ATOM 733 OE1 GLU A 44 7.010 6.862 13.833 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.292 5.761 14.720 1.00 0.00 O ATOM 0 H GLU A 44 6.433 7.726 9.179 1.00 0.00 H new ATOM 0 HA GLU A 44 6.205 5.016 9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.776 7.054 11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.050 7.337 11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.693 5.094 12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.382 4.687 12.181 1.00 0.00 H new ATOM 741 N VAL A 45 3.317 6.515 9.320 1.00 0.00 N ATOM 742 CA VAL A 45 1.962 6.277 8.864 1.00 0.00 C ATOM 743 C VAL A 45 1.944 5.223 7.747 1.00 0.00 C ATOM 744 O VAL A 45 1.141 4.292 7.786 1.00 0.00 O ATOM 745 CB VAL A 45 1.295 7.615 8.488 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.143 8.512 9.723 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.026 8.415 7.402 1.00 0.00 C ATOM 0 H VAL A 45 3.564 7.503 9.374 1.00 0.00 H new ATOM 0 HA VAL A 45 1.361 5.853 9.668 1.00 0.00 H new ATOM 0 HB VAL A 45 0.325 7.330 8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.670 9.451 9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.525 8.007 10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.126 8.716 10.148 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.484 9.340 7.204 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.035 8.651 7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.080 7.823 6.488 1.00 0.00 H new ATOM 757 N LEU A 46 2.880 5.303 6.795 1.00 0.00 N ATOM 758 CA LEU A 46 3.024 4.291 5.762 1.00 0.00 C ATOM 759 C LEU A 46 3.445 2.931 6.310 1.00 0.00 C ATOM 760 O LEU A 46 2.959 1.908 5.833 1.00 0.00 O ATOM 761 CB LEU A 46 3.867 4.771 4.569 1.00 0.00 C ATOM 762 CG LEU A 46 3.027 5.449 3.474 1.00 0.00 C ATOM 763 CD1 LEU A 46 2.012 4.491 2.842 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.253 6.645 4.001 1.00 0.00 C ATOM 0 H LEU A 46 3.551 6.068 6.725 1.00 0.00 H new ATOM 0 HA LEU A 46 2.025 4.130 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.624 5.470 4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.396 3.920 4.139 1.00 0.00 H new ATOM 0 HG LEU A 46 3.751 5.772 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.444 5.017 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.538 3.650 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.331 4.124 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.675 7.090 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.578 6.321 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.950 7.383 4.398 1.00 0.00 H new ATOM 776 N ARG A 47 4.325 2.904 7.309 1.00 0.00 N ATOM 777 CA ARG A 47 4.844 1.669 7.880 1.00 0.00 C ATOM 778 C ARG A 47 3.963 1.033 8.957 1.00 0.00 C ATOM 779 O ARG A 47 4.212 -0.111 9.332 1.00 0.00 O ATOM 780 CB ARG A 47 6.297 1.866 8.334 1.00 0.00 C ATOM 781 CG ARG A 47 7.226 1.334 7.243 1.00 0.00 C ATOM 782 CD ARG A 47 8.680 1.329 7.698 1.00 0.00 C ATOM 783 NE ARG A 47 8.901 0.289 8.710 1.00 0.00 N ATOM 784 CZ ARG A 47 10.091 0.039 9.271 1.00 0.00 C ATOM 785 NH1 ARG A 47 11.135 0.819 8.970 1.00 0.00 N ATOM 786 NH2 ARG A 47 10.216 -0.989 10.121 1.00 0.00 N ATOM 0 H ARG A 47 4.699 3.746 7.746 1.00 0.00 H new ATOM 0 HA ARG A 47 4.825 0.930 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.496 2.922 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.475 1.340 9.272 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.926 0.322 6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.126 1.948 6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.334 1.157 6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.942 2.304 8.108 1.00 0.00 H new ATOM 0 HE ARG A 47 8.103 -0.275 9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.020 1.596 8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.046 0.637 9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.409 -1.574 10.336 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.119 -1.187 10.553 1.00 0.00 H new ATOM 800 N GLU A 48 2.937 1.734 9.432 1.00 0.00 N ATOM 801 CA GLU A 48 2.051 1.247 10.475 1.00 0.00 C ATOM 802 C GLU A 48 1.139 0.124 9.962 1.00 0.00 C ATOM 803 O GLU A 48 1.105 -0.963 10.532 1.00 0.00 O ATOM 804 CB GLU A 48 1.261 2.439 11.038 1.00 0.00 C ATOM 805 CG GLU A 48 1.846 2.895 12.383 1.00 0.00 C ATOM 806 CD GLU A 48 1.521 1.903 13.494 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.309 1.701 13.724 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.480 1.355 14.076 1.00 0.00 O ATOM 0 H GLU A 48 2.698 2.667 9.097 1.00 0.00 H new ATOM 0 HA GLU A 48 2.636 0.802 11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.285 3.265 10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.215 2.160 11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.927 3.003 12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.448 3.876 12.641 1.00 0.00 H new ATOM 815 N GLN A 49 0.380 0.387 8.891 1.00 0.00 N ATOM 816 CA GLN A 49 -0.620 -0.558 8.384 1.00 0.00 C ATOM 817 C GLN A 49 -0.056 -1.505 7.319 1.00 0.00 C ATOM 818 O GLN A 49 -0.695 -2.487 6.946 1.00 0.00 O ATOM 819 CB GLN A 49 -1.826 0.203 7.817 1.00 0.00 C ATOM 820 CG GLN A 49 -3.078 0.077 8.704 1.00 0.00 C ATOM 821 CD GLN A 49 -3.494 -1.367 9.007 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.260 -2.286 8.230 1.00 0.00 O ATOM 823 NE2 GLN A 49 -4.089 -1.597 10.174 1.00 0.00 N ATOM 0 H GLN A 49 0.441 1.253 8.356 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.931 -1.172 9.229 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.567 1.256 7.708 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.053 -0.174 6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.896 0.595 9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.908 0.587 8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.278 -0.823 10.811 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.356 -2.547 10.432 1.00 0.00 H new ATOM 832 N ALA A 50 1.110 -1.165 6.779 1.00 0.00 N ATOM 833 CA ALA A 50 1.854 -1.980 5.833 1.00 0.00 C ATOM 834 C ALA A 50 1.802 -3.471 6.148 1.00 0.00 C ATOM 835 O ALA A 50 1.875 -3.879 7.306 1.00 0.00 O ATOM 836 CB ALA A 50 3.290 -1.484 5.777 1.00 0.00 C ATOM 0 H ALA A 50 1.576 -0.284 6.997 1.00 0.00 H new ATOM 0 HA ALA A 50 1.380 -1.872 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.857 -2.089 5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.303 -0.443 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.741 -1.564 6.766 1.00 0.00 H new ATOM 842 N GLY A 51 1.673 -4.278 5.093 1.00 0.00 N ATOM 843 CA GLY A 51 1.435 -5.707 5.213 1.00 0.00 C ATOM 844 C GLY A 51 0.201 -5.976 6.075 1.00 0.00 C ATOM 845 O GLY A 51 0.277 -6.688 7.074 1.00 0.00 O ATOM 0 H GLY A 51 1.732 -3.951 4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.296 -6.142 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.306 -6.191 5.655 1.00 0.00 H new ATOM 849 N GLY A 52 -0.935 -5.406 5.672 1.00 0.00 N ATOM 850 CA GLY A 52 -2.206 -5.541 6.364 1.00 0.00 C ATOM 851 C GLY A 52 -3.292 -4.909 5.500 1.00 0.00 C ATOM 852 O GLY A 52 -3.491 -5.361 4.378 1.00 0.00 O ATOM 0 H GLY A 52 -0.993 -4.825 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.429 -6.592 6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.162 -5.052 7.337 1.00 0.00 H new ATOM 856 N ASP A 53 -3.943 -3.846 5.983 1.00 0.00 N ATOM 857 CA ASP A 53 -4.971 -3.099 5.265 1.00 0.00 C ATOM 858 C ASP A 53 -4.745 -1.624 5.516 1.00 0.00 C ATOM 859 O ASP A 53 -5.196 -1.069 6.517 1.00 0.00 O ATOM 860 CB ASP A 53 -6.367 -3.422 5.792 1.00 0.00 C ATOM 861 CG ASP A 53 -7.034 -4.580 5.086 1.00 0.00 C ATOM 862 OD1 ASP A 53 -7.369 -4.428 3.895 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.255 -5.575 5.806 1.00 0.00 O ATOM 0 H ASP A 53 -3.760 -3.473 6.915 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.907 -3.364 4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.300 -3.648 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.996 -2.537 5.693 1.00 0.00 H new ATOM 868 N ALA A 54 -4.087 -0.955 4.578 1.00 0.00 N ATOM 869 CA ALA A 54 -3.969 0.475 4.681 1.00 0.00 C ATOM 870 C ALA A 54 -5.230 1.162 4.153 1.00 0.00 C ATOM 871 O ALA A 54 -5.362 2.364 4.365 1.00 0.00 O ATOM 872 CB ALA A 54 -2.684 0.898 3.992 1.00 0.00 C ATOM 0 H ALA A 54 -3.641 -1.374 3.762 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.898 0.793 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.575 1.980 4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.835 0.417 4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.718 0.601 2.944 1.00 0.00 H new ATOM 878 N THR A 55 -6.162 0.436 3.508 1.00 0.00 N ATOM 879 CA THR A 55 -7.450 0.991 3.100 1.00 0.00 C ATOM 880 C THR A 55 -8.126 1.737 4.247 1.00 0.00 C ATOM 881 O THR A 55 -8.268 2.953 4.130 1.00 0.00 O ATOM 882 CB THR A 55 -8.374 -0.068 2.477 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.824 -0.453 1.241 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.756 0.514 2.159 1.00 0.00 C ATOM 0 H THR A 55 -6.037 -0.545 3.260 1.00 0.00 H new ATOM 0 HA THR A 55 -7.246 1.719 2.315 1.00 0.00 H new ATOM 0 HB THR A 55 -8.468 -0.893 3.184 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.426 -1.345 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.385 -0.261 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.217 0.879 3.077 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.650 1.338 1.454 1.00 0.00 H new ATOM 892 N GLU A 56 -8.523 1.050 5.330 1.00 0.00 N ATOM 893 CA GLU A 56 -9.132 1.675 6.499 1.00 0.00 C ATOM 894 C GLU A 56 -8.495 3.038 6.807 1.00 0.00 C ATOM 895 O GLU A 56 -9.188 4.045 6.894 1.00 0.00 O ATOM 896 CB GLU A 56 -9.026 0.751 7.731 1.00 0.00 C ATOM 897 CG GLU A 56 -10.023 -0.424 7.761 1.00 0.00 C ATOM 898 CD GLU A 56 -9.522 -1.647 6.996 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.374 -1.485 5.764 1.00 0.00 O ATOM 900 OE2 GLU A 56 -9.264 -2.692 7.652 1.00 0.00 O ATOM 0 H GLU A 56 -8.427 0.038 5.413 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.185 1.838 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.014 0.349 7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.171 1.352 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.217 -0.704 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.973 -0.099 7.336 1.00 0.00 H new ATOM 907 N ASN A 57 -7.168 3.069 6.947 1.00 0.00 N ATOM 908 CA ASN A 57 -6.434 4.261 7.363 1.00 0.00 C ATOM 909 C ASN A 57 -6.489 5.352 6.279 1.00 0.00 C ATOM 910 O ASN A 57 -6.832 6.507 6.528 1.00 0.00 O ATOM 911 CB ASN A 57 -4.994 3.840 7.690 1.00 0.00 C ATOM 912 CG ASN A 57 -4.361 4.705 8.774 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.577 5.909 8.834 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.566 4.091 9.647 1.00 0.00 N ATOM 0 H ASN A 57 -6.570 2.261 6.773 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.891 4.697 8.251 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.988 2.799 8.012 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.389 3.897 6.785 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.118 4.625 10.392 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.405 3.087 9.572 1.00 0.00 H new ATOM 921 N PHE A 58 -6.169 4.960 5.045 1.00 0.00 N ATOM 922 CA PHE A 58 -6.225 5.807 3.861 1.00 0.00 C ATOM 923 C PHE A 58 -7.602 6.470 3.701 1.00 0.00 C ATOM 924 O PHE A 58 -7.661 7.649 3.339 1.00 0.00 O ATOM 925 CB PHE A 58 -5.847 4.953 2.643 1.00 0.00 C ATOM 926 CG PHE A 58 -6.117 5.576 1.291 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.357 5.351 0.662 1.00 0.00 C ATOM 928 CD2 PHE A 58 -5.124 6.323 0.631 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.612 5.891 -0.609 1.00 0.00 C ATOM 930 CE2 PHE A 58 -5.369 6.840 -0.651 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.618 6.637 -1.266 1.00 0.00 C ATOM 0 H PHE A 58 -5.854 4.012 4.839 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.515 6.628 3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.785 4.714 2.706 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.390 4.010 2.702 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.114 4.762 1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.173 6.499 1.111 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.570 5.733 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.598 7.394 -1.166 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.813 7.054 -2.243 1.00 0.00 H new ATOM 941 N GLU A 59 -8.678 5.713 3.956 1.00 0.00 N ATOM 942 CA GLU A 59 -10.071 6.153 3.851 1.00 0.00 C ATOM 943 C GLU A 59 -10.474 7.003 5.056 1.00 0.00 C ATOM 944 O GLU A 59 -11.186 7.989 4.899 1.00 0.00 O ATOM 945 CB GLU A 59 -11.020 4.941 3.730 1.00 0.00 C ATOM 946 CG GLU A 59 -11.498 4.667 2.296 1.00 0.00 C ATOM 947 CD GLU A 59 -12.609 5.612 1.835 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.414 6.839 1.955 1.00 0.00 O ATOM 949 OE2 GLU A 59 -13.627 5.087 1.335 1.00 0.00 O ATOM 0 H GLU A 59 -8.596 4.740 4.252 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.155 6.762 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.512 4.054 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.889 5.107 4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.651 4.755 1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.855 3.639 2.230 1.00 0.00 H new ATOM 956 N ASP A 60 -10.026 6.633 6.260 1.00 0.00 N ATOM 957 CA ASP A 60 -10.245 7.427 7.467 1.00 0.00 C ATOM 958 C ASP A 60 -9.831 8.878 7.205 1.00 0.00 C ATOM 959 O ASP A 60 -10.545 9.820 7.542 1.00 0.00 O ATOM 960 CB ASP A 60 -9.463 6.815 8.635 1.00 0.00 C ATOM 961 CG ASP A 60 -9.795 7.496 9.956 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.994 7.501 10.306 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.840 7.969 10.608 1.00 0.00 O ATOM 0 H ASP A 60 -9.501 5.774 6.422 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.302 7.421 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.690 5.751 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.394 6.900 8.441 1.00 0.00 H new ATOM 968 N VAL A 61 -8.695 9.041 6.519 1.00 0.00 N ATOM 969 CA VAL A 61 -8.286 10.317 5.949 1.00 0.00 C ATOM 970 C VAL A 61 -9.153 10.716 4.747 1.00 0.00 C ATOM 971 O VAL A 61 -9.645 11.840 4.697 1.00 0.00 O ATOM 972 CB VAL A 61 -6.776 10.286 5.662 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.334 11.412 4.717 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.015 10.418 6.987 1.00 0.00 C ATOM 0 H VAL A 61 -8.034 8.284 6.346 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.457 11.114 6.673 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.553 9.339 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.259 11.344 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.858 11.316 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.570 12.377 5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.942 10.397 6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.279 11.361 7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.282 9.590 7.644 1.00 0.00 H new ATOM 984 N GLY A 62 -9.317 9.832 3.760 1.00 0.00 N ATOM 985 CA GLY A 62 -10.073 10.138 2.554 1.00 0.00 C ATOM 986 C GLY A 62 -9.226 11.049 1.672 1.00 0.00 C ATOM 987 O GLY A 62 -9.516 12.231 1.502 1.00 0.00 O ATOM 0 H GLY A 62 -8.929 8.889 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.324 9.221 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.014 10.626 2.810 1.00 0.00 H new ATOM 991 N HIS A 63 -8.134 10.480 1.159 1.00 0.00 N ATOM 992 CA HIS A 63 -7.066 11.191 0.469 1.00 0.00 C ATOM 993 C HIS A 63 -7.519 12.069 -0.703 1.00 0.00 C ATOM 994 O HIS A 63 -8.582 11.873 -1.293 1.00 0.00 O ATOM 995 CB HIS A 63 -6.061 10.166 -0.047 1.00 0.00 C ATOM 996 CG HIS A 63 -5.020 9.766 0.959 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.216 9.112 2.155 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.682 10.004 0.825 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.000 8.965 2.716 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.027 9.476 1.931 1.00 0.00 N ATOM 0 H HIS A 63 -7.967 9.475 1.217 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.636 11.874 1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.600 9.275 -0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.563 10.573 -0.927 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.107 8.800 2.541 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.212 10.516 -0.001 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.825 8.497 3.674 1.00 0.00 H new ATOM 1008 N SER A 64 -6.639 13.003 -1.078 1.00 0.00 N ATOM 1009 CA SER A 64 -6.819 13.891 -2.209 1.00 0.00 C ATOM 1010 C SER A 64 -6.890 13.136 -3.538 1.00 0.00 C ATOM 1011 O SER A 64 -6.440 11.996 -3.689 1.00 0.00 O ATOM 1012 CB SER A 64 -5.661 14.896 -2.245 1.00 0.00 C ATOM 1013 OG SER A 64 -4.424 14.203 -2.248 1.00 0.00 O ATOM 0 H SER A 64 -5.761 13.159 -0.583 1.00 0.00 H new ATOM 0 HA SER A 64 -7.771 14.406 -2.081 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.739 15.523 -3.133 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.715 15.558 -1.381 1.00 0.00 H new ATOM 0 HG SER A 64 -3.687 14.849 -2.273 1.00 0.00 H new ATOM 1019 N THR A 65 -7.416 13.846 -4.534 1.00 0.00 N ATOM 1020 CA THR A 65 -7.431 13.406 -5.919 1.00 0.00 C ATOM 1021 C THR A 65 -6.004 13.143 -6.409 1.00 0.00 C ATOM 1022 O THR A 65 -5.744 12.077 -6.971 1.00 0.00 O ATOM 1023 CB THR A 65 -8.201 14.440 -6.750 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.543 14.441 -6.302 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.166 14.141 -8.248 1.00 0.00 C ATOM 0 H THR A 65 -7.850 14.758 -4.394 1.00 0.00 H new ATOM 0 HA THR A 65 -7.951 12.454 -6.027 1.00 0.00 H new ATOM 0 HB THR A 65 -7.727 15.412 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.059 15.096 -6.817 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.727 14.906 -8.785 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.133 14.139 -8.595 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.613 13.165 -8.435 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.079 14.072 -6.139 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.654 13.900 -6.400 1.00 0.00 C ATOM 1035 C ASP A 66 -3.194 12.527 -5.928 1.00 0.00 C ATOM 1036 O ASP A 66 -2.636 11.749 -6.697 1.00 0.00 O ATOM 1037 CB ASP A 66 -2.845 14.983 -5.679 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.004 16.333 -6.351 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -4.131 16.865 -6.239 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.007 16.799 -6.941 1.00 0.00 O ATOM 0 H ASP A 66 -5.308 14.976 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.490 13.986 -7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.170 15.051 -4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.791 14.704 -5.665 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.442 12.214 -4.655 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.081 10.913 -4.120 1.00 0.00 C ATOM 1047 C ALA A 67 -3.682 9.784 -4.947 1.00 0.00 C ATOM 1048 O ALA A 67 -2.961 8.854 -5.300 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.479 10.791 -2.654 1.00 0.00 C ATOM 0 H ALA A 67 -3.888 12.842 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.996 10.824 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.196 9.807 -2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.969 11.559 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.557 10.919 -2.558 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.982 9.839 -5.255 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.610 8.799 -6.064 1.00 0.00 C ATOM 1057 C ARG A 68 -4.850 8.544 -7.369 1.00 0.00 C ATOM 1058 O ARG A 68 -4.578 7.385 -7.695 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.091 9.094 -6.342 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.978 8.831 -5.116 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.321 8.238 -5.565 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.175 7.884 -4.419 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.273 7.110 -4.497 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.677 6.655 -5.689 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.957 6.791 -3.391 1.00 0.00 N ATOM 0 H ARG A 68 -5.611 10.585 -4.958 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.563 7.885 -5.471 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.200 10.134 -6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.432 8.477 -7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.477 8.145 -4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.144 9.759 -4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.842 8.957 -6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.141 7.351 -6.172 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.917 8.251 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.154 6.895 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.508 6.068 -5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.647 7.135 -2.482 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.788 6.204 -3.457 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.506 9.588 -8.127 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.748 9.373 -9.354 1.00 0.00 C ATOM 1081 C GLU A 69 -2.318 8.904 -9.050 1.00 0.00 C ATOM 1082 O GLU A 69 -1.804 8.009 -9.721 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.832 10.573 -10.305 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.386 11.911 -9.718 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.534 13.002 -10.767 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.596 13.130 -11.582 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.611 13.636 -10.772 1.00 0.00 O ATOM 0 H GLU A 69 -4.733 10.560 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.215 8.555 -9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.223 10.361 -11.184 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.862 10.672 -10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.985 12.153 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.349 11.848 -9.388 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.677 9.445 -8.013 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.316 9.072 -7.656 1.00 0.00 C ATOM 1096 C LEU A 70 -0.229 7.593 -7.267 1.00 0.00 C ATOM 1097 O LEU A 70 0.731 6.913 -7.618 1.00 0.00 O ATOM 1098 CB LEU A 70 0.196 9.978 -6.529 1.00 0.00 C ATOM 1099 CG LEU A 70 1.689 10.304 -6.672 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.924 11.202 -7.900 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.160 11.020 -5.401 1.00 0.00 C ATOM 0 H LEU A 70 -2.088 10.151 -7.402 1.00 0.00 H new ATOM 0 HA LEU A 70 0.323 9.211 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.377 10.905 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.024 9.492 -5.569 1.00 0.00 H new ATOM 0 HG LEU A 70 2.253 9.382 -6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.987 11.425 -7.989 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.585 10.686 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.367 12.131 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.220 11.258 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.591 11.941 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.004 10.371 -4.539 1.00 0.00 H new ATOM 1113 N SER A 71 -1.243 7.077 -6.566 1.00 0.00 N ATOM 1114 CA SER A 71 -1.343 5.672 -6.202 1.00 0.00 C ATOM 1115 C SER A 71 -1.047 4.787 -7.415 1.00 0.00 C ATOM 1116 O SER A 71 -0.245 3.867 -7.329 1.00 0.00 O ATOM 1117 CB SER A 71 -2.733 5.363 -5.629 1.00 0.00 C ATOM 1118 OG SER A 71 -3.068 6.223 -4.561 1.00 0.00 O ATOM 0 H SER A 71 -2.027 7.638 -6.233 1.00 0.00 H new ATOM 0 HA SER A 71 -0.602 5.458 -5.431 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.479 5.457 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.762 4.329 -5.285 1.00 0.00 H new ATOM 0 HG SER A 71 -3.173 7.137 -4.898 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.664 5.073 -8.563 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.458 4.307 -9.778 1.00 0.00 C ATOM 1126 C LYS A 72 0.024 4.224 -10.156 1.00 0.00 C ATOM 1127 O LYS A 72 0.513 3.141 -10.455 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.348 4.895 -10.872 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.729 4.216 -10.812 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.890 5.124 -11.242 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.307 4.900 -12.702 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.358 5.852 -13.120 1.00 0.00 N ATOM 0 H LYS A 72 -2.321 5.846 -8.669 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.752 3.268 -9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.451 5.971 -10.736 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.894 4.740 -11.851 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.716 3.333 -11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.909 3.871 -9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.746 4.944 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.600 6.166 -11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.438 5.009 -13.350 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.670 3.880 -12.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.615 5.672 -14.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.197 5.730 -12.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.002 6.825 -13.026 1.00 0.00 H new ATOM 1146 N THR A 73 0.765 5.328 -10.075 1.00 0.00 N ATOM 1147 CA THR A 73 2.212 5.318 -10.274 1.00 0.00 C ATOM 1148 C THR A 73 2.941 4.327 -9.344 1.00 0.00 C ATOM 1149 O THR A 73 4.009 3.837 -9.705 1.00 0.00 O ATOM 1150 CB THR A 73 2.731 6.763 -10.182 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.469 7.419 -11.405 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.219 6.871 -9.863 1.00 0.00 C ATOM 0 H THR A 73 0.381 6.250 -9.870 1.00 0.00 H new ATOM 0 HA THR A 73 2.437 4.939 -11.271 1.00 0.00 H new ATOM 0 HB THR A 73 2.206 7.232 -9.350 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.794 8.342 -11.357 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.506 7.922 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.421 6.396 -8.903 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.795 6.372 -10.642 1.00 0.00 H new ATOM 1160 N TYR A 74 2.383 4.009 -8.171 1.00 0.00 N ATOM 1161 CA TYR A 74 2.979 3.071 -7.223 1.00 0.00 C ATOM 1162 C TYR A 74 2.350 1.684 -7.301 1.00 0.00 C ATOM 1163 O TYR A 74 2.802 0.766 -6.613 1.00 0.00 O ATOM 1164 CB TYR A 74 2.817 3.622 -5.807 1.00 0.00 C ATOM 1165 CG TYR A 74 3.649 4.856 -5.542 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.051 4.766 -5.602 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.035 6.083 -5.227 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.834 5.918 -5.448 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.825 7.225 -5.017 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.219 7.151 -5.182 1.00 0.00 C ATOM 1171 OH TYR A 74 5.988 8.270 -5.103 1.00 0.00 O ATOM 0 H TYR A 74 1.497 4.401 -7.853 1.00 0.00 H new ATOM 0 HA TYR A 74 4.033 2.965 -7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.767 3.858 -5.635 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.091 2.848 -5.091 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.524 3.809 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.960 6.146 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.909 5.857 -5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.363 8.158 -4.729 1.00 0.00 H new ATOM 0 HH TYR A 74 5.723 8.795 -4.319 1.00 0.00 H new ATOM 1181 N ILE A 75 1.282 1.531 -8.087 1.00 0.00 N ATOM 1182 CA ILE A 75 0.558 0.280 -8.153 1.00 0.00 C ATOM 1183 C ILE A 75 1.477 -0.753 -8.783 1.00 0.00 C ATOM 1184 O ILE A 75 2.020 -0.537 -9.863 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.782 0.472 -8.879 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.863 -0.436 -8.275 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.726 0.254 -10.399 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -3.249 0.070 -8.670 1.00 0.00 C ATOM 0 H ILE A 75 0.906 2.267 -8.685 1.00 0.00 H new ATOM 0 HA ILE A 75 0.284 -0.084 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.033 1.522 -8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.727 -1.460 -8.624 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.769 -0.455 -7.189 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.717 0.411 -10.826 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.024 0.960 -10.842 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.398 -0.764 -10.609 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.010 -0.579 -8.238 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.385 1.086 -8.299 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.342 0.065 -9.756 1.00 0.00 H new ATOM 1200 N ILE A 76 1.683 -1.860 -8.080 1.00 0.00 N ATOM 1201 CA ILE A 76 2.482 -2.950 -8.601 1.00 0.00 C ATOM 1202 C ILE A 76 1.528 -3.996 -9.161 1.00 0.00 C ATOM 1203 O ILE A 76 1.714 -4.476 -10.277 1.00 0.00 O ATOM 1204 CB ILE A 76 3.457 -3.469 -7.530 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.811 -3.650 -6.151 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.654 -2.514 -7.437 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.778 -4.279 -5.157 1.00 0.00 C ATOM 0 H ILE A 76 1.305 -2.022 -7.147 1.00 0.00 H new ATOM 0 HA ILE A 76 3.128 -2.627 -9.417 1.00 0.00 H new ATOM 0 HB ILE A 76 3.781 -4.462 -7.841 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.479 -2.682 -5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.924 -4.277 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.350 -2.875 -6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.159 -2.469 -8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.305 -1.518 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.285 -4.392 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.089 -5.258 -5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.653 -3.638 -5.045 1.00 0.00 H new ATOM 1219 N GLY A 77 0.487 -4.337 -8.405 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.441 -5.370 -8.806 1.00 0.00 C ATOM 1221 C GLY A 77 -1.633 -5.362 -7.869 1.00 0.00 C ATOM 1222 O GLY A 77 -2.106 -4.292 -7.483 1.00 0.00 O ATOM 0 H GLY A 77 0.271 -3.905 -7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.769 -5.202 -9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.048 -6.344 -8.783 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.123 -6.540 -7.488 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.374 -6.631 -6.766 1.00 0.00 C ATOM 1228 C GLU A 78 -3.443 -7.902 -5.937 1.00 0.00 C ATOM 1229 O GLU A 78 -2.566 -8.763 -6.022 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.558 -6.425 -7.732 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.649 -7.479 -8.840 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.774 -7.174 -9.827 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.818 -6.660 -9.370 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.582 -7.475 -11.027 1.00 0.00 O ATOM 0 H GLU A 78 -1.670 -7.436 -7.670 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.438 -5.824 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.486 -6.433 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.474 -5.439 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.700 -7.526 -9.375 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.813 -8.460 -8.395 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.457 -7.984 -5.079 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.656 -9.164 -4.268 1.00 0.00 C ATOM 1243 C LEU A 79 -4.993 -10.341 -5.178 1.00 0.00 C ATOM 1244 O LEU A 79 -5.722 -10.196 -6.159 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.747 -8.933 -3.220 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.319 -7.960 -2.112 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.460 -7.873 -1.093 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.036 -8.422 -1.405 1.00 0.00 C ATOM 0 H LEU A 79 -5.146 -7.246 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.739 -9.389 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.639 -8.545 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.020 -9.888 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.111 -6.988 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.182 -7.187 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.361 -7.509 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.650 -8.861 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.770 -7.704 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.201 -9.400 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.225 -8.490 -2.130 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.423 -11.502 -4.858 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.590 -12.726 -5.620 1.00 0.00 C ATOM 1262 C HIS A 80 -6.082 -12.990 -5.871 1.00 0.00 C ATOM 1263 O HIS A 80 -6.887 -12.827 -4.953 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.923 -13.876 -4.850 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.438 -14.988 -5.737 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.023 -16.221 -5.895 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.362 -14.926 -6.581 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.326 -16.879 -6.837 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.312 -16.125 -7.293 1.00 0.00 N ATOM 0 H HIS A 80 -3.820 -11.614 -4.043 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.112 -12.639 -6.596 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.081 -13.482 -4.281 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.633 -14.280 -4.129 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.675 -14.098 -6.678 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.551 -17.878 -7.181 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.639 -16.379 -8.016 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.477 -13.390 -7.093 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.880 -13.524 -7.440 1.00 0.00 C ATOM 1279 C PRO A 81 -8.560 -14.580 -6.563 1.00 0.00 C ATOM 1280 O PRO A 81 -9.749 -14.471 -6.279 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.930 -13.831 -8.939 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.532 -14.346 -9.287 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.622 -13.778 -8.201 1.00 0.00 C ATOM 0 HA PRO A 81 -8.442 -12.610 -7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.692 -14.577 -9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.177 -12.940 -9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.503 -15.436 -9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.223 -14.011 -10.277 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.891 -14.521 -7.883 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.063 -12.921 -8.576 1.00 0.00 H new ATOM 1291 N ASP A 82 -7.787 -15.565 -6.096 1.00 0.00 N ATOM 1292 CA ASP A 82 -8.214 -16.581 -5.146 1.00 0.00 C ATOM 1293 C ASP A 82 -9.053 -15.997 -3.997 1.00 0.00 C ATOM 1294 O ASP A 82 -10.224 -16.346 -3.848 1.00 0.00 O ATOM 1295 CB ASP A 82 -6.970 -17.315 -4.637 1.00 0.00 C ATOM 1296 CG ASP A 82 -7.363 -18.478 -3.742 1.00 0.00 C ATOM 1297 OD1 ASP A 82 -7.557 -19.575 -4.307 1.00 0.00 O ATOM 1298 OD2 ASP A 82 -7.445 -18.244 -2.521 1.00 0.00 O ATOM 0 H ASP A 82 -6.814 -15.675 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.875 -17.287 -5.649 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.386 -17.681 -5.482 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.334 -16.623 -4.085 1.00 0.00 H new ATOM 1303 N ASP A 83 -8.489 -15.060 -3.223 1.00 0.00 N ATOM 1304 CA ASP A 83 -9.188 -14.485 -2.071 1.00 0.00 C ATOM 1305 C ASP A 83 -10.202 -13.412 -2.493 1.00 0.00 C ATOM 1306 O ASP A 83 -11.027 -12.974 -1.691 1.00 0.00 O ATOM 1307 CB ASP A 83 -8.192 -13.938 -1.033 1.00 0.00 C ATOM 1308 CG ASP A 83 -8.779 -14.023 0.378 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -9.522 -13.094 0.766 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -8.471 -15.028 1.052 1.00 0.00 O ATOM 0 H ASP A 83 -7.552 -14.686 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.752 -15.290 -1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.262 -14.505 -1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.946 -12.902 -1.268 1.00 0.00 H new ATOM 1315 N ARG A 84 -10.167 -12.971 -3.760 1.00 0.00 N ATOM 1316 CA ARG A 84 -10.998 -11.870 -4.231 1.00 0.00 C ATOM 1317 C ARG A 84 -12.468 -12.188 -3.977 1.00 0.00 C ATOM 1318 O ARG A 84 -13.179 -11.392 -3.370 1.00 0.00 O ATOM 1319 CB ARG A 84 -10.751 -11.604 -5.721 1.00 0.00 C ATOM 1320 CG ARG A 84 -11.521 -10.374 -6.224 1.00 0.00 C ATOM 1321 CD ARG A 84 -11.757 -10.442 -7.741 1.00 0.00 C ATOM 1322 NE ARG A 84 -12.948 -9.664 -8.120 1.00 0.00 N ATOM 1323 CZ ARG A 84 -13.034 -8.326 -8.148 1.00 0.00 C ATOM 1324 NH1 ARG A 84 -11.938 -7.584 -7.960 1.00 0.00 N ATOM 1325 NH2 ARG A 84 -14.220 -7.742 -8.356 1.00 0.00 N ATOM 0 H ARG A 84 -9.562 -13.370 -4.478 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.732 -10.967 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.684 -11.458 -5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.049 -12.479 -6.299 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.479 -10.306 -5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.963 -9.469 -5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.883 -10.057 -8.267 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.882 -11.480 -8.048 1.00 0.00 H new ATOM 0 HE ARG A 84 -13.781 -10.189 -8.385 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.038 -8.036 -7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.001 -6.566 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -15.053 -8.314 -8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.291 -6.725 -8.378 1.00 0.00 H new ATOM 1339 N SER A 85 -12.937 -13.355 -4.425 1.00 0.00 N ATOM 1340 CA SER A 85 -14.333 -13.742 -4.244 1.00 0.00 C ATOM 1341 C SER A 85 -14.553 -14.290 -2.825 1.00 0.00 C ATOM 1342 O SER A 85 -15.220 -15.307 -2.635 1.00 0.00 O ATOM 1343 CB SER A 85 -14.754 -14.718 -5.356 1.00 0.00 C ATOM 1344 OG SER A 85 -16.122 -14.553 -5.679 1.00 0.00 O ATOM 0 H SER A 85 -12.369 -14.046 -4.915 1.00 0.00 H new ATOM 0 HA SER A 85 -14.981 -12.870 -4.336 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.144 -14.550 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.573 -15.743 -5.034 1.00 0.00 H new ATOM 0 HG SER A 85 -16.369 -15.182 -6.389 1.00 0.00 H new ATOM 1350 N LYS A 86 -13.996 -13.614 -1.815 1.00 0.00 N ATOM 1351 CA LYS A 86 -14.147 -13.986 -0.421 1.00 0.00 C ATOM 1352 C LYS A 86 -13.932 -12.770 0.478 1.00 0.00 C ATOM 1353 O LYS A 86 -14.851 -12.426 1.217 1.00 0.00 O ATOM 1354 CB LYS A 86 -13.198 -15.136 -0.051 1.00 0.00 C ATOM 1355 CG LYS A 86 -13.579 -15.737 1.310 1.00 0.00 C ATOM 1356 CD LYS A 86 -14.721 -16.756 1.158 1.00 0.00 C ATOM 1357 CE LYS A 86 -15.700 -16.756 2.341 1.00 0.00 C ATOM 1358 NZ LYS A 86 -16.734 -15.704 2.213 1.00 0.00 N ATOM 0 H LYS A 86 -13.421 -12.783 -1.954 1.00 0.00 H new ATOM 0 HA LYS A 86 -15.165 -14.345 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.238 -15.908 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.171 -14.771 -0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.710 -16.222 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.883 -14.942 1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.270 -16.541 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.296 -17.754 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.183 -17.731 2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.146 -16.608 3.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.372 -15.742 3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.277 -14.771 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.281 -15.859 1.342 1.00 0.00 H new ATOM 1372 N ILE A 87 -12.733 -12.172 0.436 1.00 0.00 N ATOM 1373 CA ILE A 87 -12.304 -11.041 1.255 1.00 0.00 C ATOM 1374 C ILE A 87 -12.750 -11.230 2.715 1.00 0.00 C ATOM 1375 O ILE A 87 -13.732 -10.645 3.169 1.00 0.00 O ATOM 1376 CB ILE A 87 -12.753 -9.726 0.583 1.00 0.00 C ATOM 1377 CG1 ILE A 87 -11.934 -9.494 -0.703 1.00 0.00 C ATOM 1378 CG2 ILE A 87 -12.583 -8.496 1.493 1.00 0.00 C ATOM 1379 CD1 ILE A 87 -12.683 -8.623 -1.717 1.00 0.00 C ATOM 0 H ILE A 87 -12.003 -12.484 -0.204 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.217 -10.985 1.313 1.00 0.00 H new ATOM 0 HB ILE A 87 -13.815 -9.837 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.987 -9.019 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.696 -10.455 -1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -12.916 -7.603 0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -13.180 -8.626 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -11.533 -8.387 1.765 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -12.067 -8.488 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -13.618 -9.110 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.898 -7.651 -1.273 1.00 0.00 H new ATOM 1391 N ALA A 88 -12.026 -12.076 3.456 1.00 0.00 N ATOM 1392 CA ALA A 88 -12.313 -12.373 4.855 1.00 0.00 C ATOM 1393 C ALA A 88 -11.148 -11.927 5.738 1.00 0.00 C ATOM 1394 O ALA A 88 -10.022 -12.369 5.535 1.00 0.00 O ATOM 1395 CB ALA A 88 -12.571 -13.871 5.020 1.00 0.00 C ATOM 0 H ALA A 88 -11.216 -12.577 3.092 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.204 -11.827 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.785 -14.090 6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.423 -14.163 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.689 -14.429 4.706 1.00 0.00 H new ATOM 1401 N LYS A 89 -11.431 -11.083 6.735 1.00 0.00 N ATOM 1402 CA LYS A 89 -10.462 -10.600 7.710 1.00 0.00 C ATOM 1403 C LYS A 89 -11.041 -10.816 9.112 1.00 0.00 C ATOM 1404 O LYS A 89 -11.732 -9.939 9.625 1.00 0.00 O ATOM 1405 CB LYS A 89 -10.189 -9.119 7.434 1.00 0.00 C ATOM 1406 CG LYS A 89 -9.155 -8.498 8.386 1.00 0.00 C ATOM 1407 CD LYS A 89 -9.050 -7.023 7.993 1.00 0.00 C ATOM 1408 CE LYS A 89 -8.017 -6.237 8.808 1.00 0.00 C ATOM 1409 NZ LYS A 89 -7.878 -4.865 8.271 1.00 0.00 N ATOM 0 H LYS A 89 -12.368 -10.710 6.886 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.518 -11.140 7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.839 -9.007 6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.124 -8.564 7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.469 -8.603 9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.190 -8.996 8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.792 -6.956 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.027 -6.554 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.322 -6.197 9.854 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.054 -6.747 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.006 -4.435 8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.835 -4.901 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.696 -4.293 8.564 1.00 0.00 H new ATOM 1423 N PRO A 90 -10.796 -11.973 9.745 1.00 0.00 N ATOM 1424 CA PRO A 90 -11.294 -12.238 11.086 1.00 0.00 C ATOM 1425 C PRO A 90 -10.540 -11.399 12.121 1.00 0.00 C ATOM 1426 O PRO A 90 -11.115 -10.998 13.130 1.00 0.00 O ATOM 1427 CB PRO A 90 -11.114 -13.742 11.299 1.00 0.00 C ATOM 1428 CG PRO A 90 -9.973 -14.127 10.354 1.00 0.00 C ATOM 1429 CD PRO A 90 -10.051 -13.105 9.217 1.00 0.00 C ATOM 0 HA PRO A 90 -12.341 -11.960 11.203 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.865 -13.969 12.336 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.027 -14.289 11.063 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -9.008 -14.085 10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.093 -15.144 9.981 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.054 -12.801 8.897 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.550 -13.528 8.346 1.00 0.00 H new ATOM 1437 N SER A 91 -9.254 -11.134 11.878 1.00 0.00 N ATOM 1438 CA SER A 91 -8.433 -10.256 12.698 1.00 0.00 C ATOM 1439 C SER A 91 -7.174 -9.914 11.902 1.00 0.00 C ATOM 1440 O SER A 91 -7.021 -8.777 11.464 1.00 0.00 O ATOM 1441 CB SER A 91 -8.131 -10.927 14.051 1.00 0.00 C ATOM 1442 OG SER A 91 -7.169 -10.204 14.794 1.00 0.00 O ATOM 0 H SER A 91 -8.749 -11.535 11.088 1.00 0.00 H new ATOM 0 HA SER A 91 -8.952 -9.327 12.933 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.051 -11.008 14.630 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.771 -11.942 13.881 1.00 0.00 H new ATOM 0 HG SER A 91 -7.005 -10.659 15.646 1.00 0.00 H new ATOM 1448 N GLU A 92 -6.329 -10.931 11.695 1.00 0.00 N ATOM 1449 CA GLU A 92 -4.992 -10.842 11.129 1.00 0.00 C ATOM 1450 C GLU A 92 -4.033 -10.083 12.050 1.00 0.00 C ATOM 1451 O GLU A 92 -4.384 -9.088 12.677 1.00 0.00 O ATOM 1452 CB GLU A 92 -4.992 -10.285 9.702 1.00 0.00 C ATOM 1453 CG GLU A 92 -5.752 -11.204 8.739 1.00 0.00 C ATOM 1454 CD GLU A 92 -5.484 -10.787 7.302 1.00 0.00 C ATOM 1455 OE1 GLU A 92 -5.639 -9.577 7.039 1.00 0.00 O ATOM 1456 OE2 GLU A 92 -5.090 -11.676 6.517 1.00 0.00 O ATOM 0 H GLU A 92 -6.582 -11.890 11.934 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.618 -11.863 11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.448 -9.295 9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.965 -10.165 9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.443 -12.238 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.821 -11.158 8.946 1.00 0.00 H new ATOM 1463 N THR A 93 -2.805 -10.592 12.155 1.00 0.00 N ATOM 1464 CA THR A 93 -1.777 -10.053 13.022 1.00 0.00 C ATOM 1465 C THR A 93 -0.457 -10.671 12.571 1.00 0.00 C ATOM 1466 O THR A 93 -0.356 -11.891 12.474 1.00 0.00 O ATOM 1467 CB THR A 93 -2.113 -10.339 14.502 1.00 0.00 C ATOM 1468 OG1 THR A 93 -1.033 -9.988 15.343 1.00 0.00 O ATOM 1469 CG2 THR A 93 -2.511 -11.794 14.788 1.00 0.00 C ATOM 0 H THR A 93 -2.499 -11.408 11.625 1.00 0.00 H new ATOM 0 HA THR A 93 -1.707 -8.968 12.949 1.00 0.00 H new ATOM 0 HB THR A 93 -2.984 -9.719 14.715 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.270 -10.176 16.275 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.731 -11.909 15.849 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.395 -12.051 14.205 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.690 -12.456 14.513 1.00 0.00 H new ATOM 1477 N LEU A 94 0.532 -9.835 12.268 1.00 0.00 N ATOM 1478 CA LEU A 94 1.883 -10.204 11.901 1.00 0.00 C ATOM 1479 C LEU A 94 2.658 -8.903 12.073 1.00 0.00 C ATOM 1480 O LEU A 94 1.999 -7.835 12.026 1.00 0.00 O ATOM 1481 CB LEU A 94 1.942 -10.672 10.433 1.00 0.00 C ATOM 1482 CG LEU A 94 2.663 -12.018 10.248 1.00 0.00 C ATOM 1483 CD1 LEU A 94 1.709 -13.194 10.506 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.239 -12.118 8.831 1.00 0.00 C ATOM 1485 OXT LEU A 94 3.906 -8.928 12.147 1.00 0.00 O ATOM 0 H LEU A 94 0.397 -8.824 12.274 1.00 0.00 H new ATOM 0 HA LEU A 94 2.277 -11.026 12.499 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.927 -10.756 10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.449 -9.912 9.838 1.00 0.00 H new ATOM 0 HG LEU A 94 3.476 -12.068 10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.244 -14.134 10.368 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.330 -13.138 11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.875 -13.146 9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.747 -13.075 8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.431 -12.043 8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.949 -11.307 8.669 1.00 0.00 H new TER 1497 LEU A 94 HETATM 1498 FE HEM A 96 -1.064 9.544 2.211 1.00 0.00 FE HETATM 1499 CHA HEM A 96 -1.286 12.897 2.698 1.00 0.00 C HETATM 1500 CHB HEM A 96 -0.209 10.117 -1.175 1.00 0.00 C HETATM 1501 CHC HEM A 96 -1.179 6.150 1.537 1.00 0.00 C HETATM 1502 CHD HEM A 96 -1.678 8.955 5.577 1.00 0.00 C HETATM 1503 NA HEM A 96 -0.812 11.189 0.985 1.00 0.00 N HETATM 1504 C1A HEM A 96 -0.981 12.450 1.421 1.00 0.00 C HETATM 1505 C2A HEM A 96 -0.808 13.340 0.306 1.00 0.00 C HETATM 1506 C3A HEM A 96 -0.432 12.577 -0.778 1.00 0.00 C HETATM 1507 C4A HEM A 96 -0.465 11.200 -0.344 1.00 0.00 C HETATM 1508 CMA HEM A 96 -0.067 13.057 -2.163 1.00 0.00 C HETATM 1509 CAA HEM A 96 -1.050 14.830 0.394 1.00 0.00 C HETATM 1510 CBA HEM A 96 -2.482 15.135 0.845 1.00 0.00 C HETATM 1511 CGA HEM A 96 -2.584 16.060 2.046 1.00 0.00 C HETATM 1512 O1A HEM A 96 -3.296 15.664 2.992 1.00 0.00 O HETATM 1513 O2A HEM A 96 -1.953 17.136 1.988 1.00 0.00 O HETATM 1514 NB HEM A 96 -0.729 8.360 0.510 1.00 0.00 N HETATM 1515 C1B HEM A 96 -0.379 8.809 -0.750 1.00 0.00 C HETATM 1516 C2B HEM A 96 -0.226 7.659 -1.610 1.00 0.00 C HETATM 1517 C3B HEM A 96 -0.550 6.573 -0.840 1.00 0.00 C HETATM 1518 C4B HEM A 96 -0.847 7.005 0.498 1.00 0.00 C HETATM 1519 CMB HEM A 96 0.180 7.664 -3.064 1.00 0.00 C HETATM 1520 CAB HEM A 96 -0.433 5.125 -1.256 1.00 0.00 C HETATM 1521 CBB HEM A 96 -1.021 4.677 -2.378 1.00 0.00 C HETATM 1522 NC HEM A 96 -1.301 7.854 3.361 1.00 0.00 N HETATM 1523 C1C HEM A 96 -1.361 6.575 2.856 1.00 0.00 C HETATM 1524 C2C HEM A 96 -1.712 5.703 3.946 1.00 0.00 C HETATM 1525 C3C HEM A 96 -1.750 6.477 5.078 1.00 0.00 C HETATM 1526 C4C HEM A 96 -1.553 7.857 4.712 1.00 0.00 C HETATM 1527 CMC HEM A 96 -2.051 4.244 3.851 1.00 0.00 C HETATM 1528 CAC HEM A 96 -2.200 5.988 6.437 1.00 0.00 C HETATM 1529 CBC HEM A 96 -1.609 4.911 7.000 1.00 0.00 C HETATM 1530 ND HEM A 96 -1.431 10.728 3.856 1.00 0.00 N HETATM 1531 C1D HEM A 96 -1.627 10.286 5.133 1.00 0.00 C HETATM 1532 C2D HEM A 96 -1.768 11.460 5.968 1.00 0.00 C HETATM 1533 C3D HEM A 96 -1.617 12.567 5.150 1.00 0.00 C HETATM 1534 C4D HEM A 96 -1.450 12.076 3.807 1.00 0.00 C HETATM 1535 CMD HEM A 96 -2.015 11.457 7.458 1.00 0.00 C HETATM 1536 CAD HEM A 96 -1.481 14.035 5.526 1.00 0.00 C HETATM 1537 CBD HEM A 96 -0.911 14.313 6.924 1.00 0.00 C HETATM 1538 CGD HEM A 96 -0.333 15.717 7.039 1.00 0.00 C HETATM 1539 O1D HEM A 96 0.833 15.820 7.476 1.00 0.00 O HETATM 1540 O2D HEM A 96 -1.074 16.665 6.704 1.00 0.00 O HETATM 0 HMA1 HEM A 96 0.643 12.363 -2.613 1.00 0.00 H new HETATM 0 HMA2 HEM A 96 0.384 14.047 -2.098 1.00 0.00 H new HETATM 0 HMA3 HEM A 96 -0.965 13.107 -2.779 1.00 0.00 H new HETATM 0 HMB1 HEM A 96 0.710 6.740 -3.297 1.00 0.00 H new HETATM 0 HMB2 HEM A 96 0.833 8.515 -3.257 1.00 0.00 H new HETATM 0 HMB3 HEM A 96 -0.709 7.740 -3.690 1.00 0.00 H new HETATM 0 HMC1 HEM A 96 -2.508 4.039 2.883 1.00 0.00 H new HETATM 0 HMC2 HEM A 96 -2.750 3.980 4.645 1.00 0.00 H new HETATM 0 HMC3 HEM A 96 -1.142 3.652 3.956 1.00 0.00 H new HETATM 0 HMD1 HEM A 96 -2.579 10.565 7.732 1.00 0.00 H new HETATM 0 HMD2 HEM A 96 -2.584 12.345 7.734 1.00 0.00 H new HETATM 0 HMD3 HEM A 96 -1.061 11.459 7.985 1.00 0.00 H new HETATM 0 HBB1 HEM A 96 -0.926 3.629 -2.662 1.00 0.00 H new HETATM 0 HBB2 HEM A 96 -1.593 5.362 -3.004 1.00 0.00 H new HETATM 0 HBC1 HEM A 96 -1.935 4.560 7.979 1.00 0.00 H new HETATM 0 HBC2 HEM A 96 -0.807 4.393 6.475 1.00 0.00 H new HETATM 0 HBA1 HEM A 96 -2.982 14.196 1.083 1.00 0.00 H new HETATM 0 HBA2 HEM A 96 -3.024 15.582 0.012 1.00 0.00 H new HETATM 0 HAA1 HEM A 96 -0.867 15.288 -0.578 1.00 0.00 H new HETATM 0 HAA2 HEM A 96 -0.343 15.275 1.095 1.00 0.00 H new HETATM 0 HBD1 HEM A 96 -0.134 13.582 7.150 1.00 0.00 H new HETATM 0 HBD2 HEM A 96 -1.697 14.183 7.668 1.00 0.00 H new HETATM 0 HAD1 HEM A 96 -2.463 14.502 5.455 1.00 0.00 H new HETATM 0 HAD2 HEM A 96 -0.842 14.522 4.790 1.00 0.00 H new HETATM 0 HHA HEM A 96 -1.405 13.961 2.841 1.00 0.00 H new HETATM 0 HHB HEM A 96 0.133 10.300 -2.183 1.00 0.00 H new HETATM 0 HHC HEM A 96 -1.304 5.100 1.316 1.00 0.00 H new HETATM 0 HHD HEM A 96 -1.820 8.768 6.631 1.00 0.00 H new HETATM 0 HAB HEM A 96 0.137 4.433 -0.636 1.00 0.00 H new HETATM 0 HAC HEM A 96 -3.002 6.505 6.963 1.00 0.00 H new