USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 877 hydrogens (32 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 18 HIS HE2 : A 18 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 67 HIS : no HE2:sc= -1.82! C(o=-3.5!,f=-18!) USER MOD Set 1.2: A 80 MET CE :methyl 170:sc= -1.73 (180deg=-2.66!) USER MOD Set 2.1: A 63 ASN : amide:sc= -4.51! C(o=-8.8!,f=-10!) USER MOD Set 2.2: A 74 TYR OH : rot 123:sc= -4.25! USER MOD Set 3.1: A 40 SER OG : rot -72:sc= 0.413! USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -1.52! F(o=-3,f=-0.43!) USER MOD Set 3.3: A 56 ASN :FLIP amide:sc= 0.678 F(o=-11!,f=-0.43) USER MOD Set 4.1: A 49 THR OG1 : rot 180:sc= -0.134 USER MOD Set 4.2: A 78 THR OG1 : rot -170:sc= 0 USER MOD Set 5.1: A 19 THR OG1 : rot -88:sc= 1.19 USER MOD Set 5.2: A 31 ASN :FLIP amide:sc= -2.45! C(o=-5.4!,f=-1.3!) USER MOD Single : A 2 SER OG : rot -73:sc= -3.63! USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -0.0336 (180deg=-0.358) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -36:sc= 0.915 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -169:sc= -0.689 (180deg=-1.08) USER MOD Single : A -5 THR OG1 : rot -65:sc= 0.55 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -30:sc= 0.739 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 22 LYS NZ :NH3+ 158:sc= -0.0309 (180deg=-0.38) USER MOD Single : A 26 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-6.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -1.85! C(o=-1.8!,f=-6.6!) USER MOD Single : A 39 HIS : no HD1:sc= -0.817 K(o=-0.82,f=-1.6!) USER MOD Single : A 42 GLN : amide:sc= 0.949 K(o=0.95,f=-8.5!) USER MOD Single : A 46 TYR OH : rot 93:sc= 1.27 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 15:sc= -2.13! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -6.64! C(o=-6.6!,f=-16!) USER MOD Single : A 64 MET CE :methyl -167:sc= -1.79 (180deg=-1.91) USER MOD Single : A 65 SER OG : rot -69:sc= 0.993 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -4.66! C(o=-4.7!,f=-9.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= -0.313 (180deg=-1.15) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= -0.552 (180deg=-0.966) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.253 K(o=-0.25,f=-0.87!) USER MOD Single : A 96 THR OG1 : rot 81:sc= 0.534 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 154:sc= 0.905 (180deg=-0.581!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -150:sc= -0.0775 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -19.941 -7.291 2.857 1.00 0.00 N ATOM 2 CA THR A -5 -19.228 -6.694 1.692 1.00 0.00 C ATOM 3 C THR A -5 -17.785 -7.203 1.663 1.00 0.00 C ATOM 4 O THR A -5 -17.328 -7.855 2.580 1.00 0.00 O ATOM 5 CB THR A -5 -19.229 -5.169 1.819 1.00 0.00 C ATOM 6 OG1 THR A -5 -18.009 -4.744 2.410 1.00 0.00 O ATOM 7 CG2 THR A -5 -20.403 -4.729 2.695 1.00 0.00 C ATOM 0 H1 THR A -5 -20.960 -7.099 2.776 1.00 0.00 H new ATOM 0 H2 THR A -5 -19.782 -8.319 2.872 1.00 0.00 H new ATOM 0 H3 THR A -5 -19.579 -6.872 3.737 1.00 0.00 H new ATOM 0 HA THR A -5 -19.734 -6.981 0.770 1.00 0.00 H new ATOM 0 HB THR A -5 -19.329 -4.722 0.830 1.00 0.00 H new ATOM 0 HG1 THR A -5 -17.955 -5.083 3.328 1.00 0.00 H new ATOM 0 HG21 THR A -5 -20.403 -3.643 2.785 1.00 0.00 H new ATOM 0 HG22 THR A -5 -21.338 -5.055 2.241 1.00 0.00 H new ATOM 0 HG23 THR A -5 -20.306 -5.175 3.685 1.00 0.00 H new ATOM 17 N GLU A -4 -17.063 -6.910 0.617 1.00 0.00 N ATOM 18 CA GLU A -4 -15.651 -7.379 0.532 1.00 0.00 C ATOM 19 C GLU A -4 -14.843 -6.773 1.682 1.00 0.00 C ATOM 20 O GLU A -4 -13.943 -7.393 2.212 1.00 0.00 O ATOM 21 CB GLU A -4 -15.047 -6.936 -0.803 1.00 0.00 C ATOM 22 CG GLU A -4 -15.784 -7.629 -1.952 1.00 0.00 C ATOM 23 CD GLU A -4 -15.136 -7.241 -3.283 1.00 0.00 C ATOM 24 OE1 GLU A -4 -14.296 -6.358 -3.273 1.00 0.00 O ATOM 25 OE2 GLU A -4 -15.494 -7.834 -4.287 1.00 0.00 O ATOM 0 H GLU A -4 -17.389 -6.367 -0.182 1.00 0.00 H new ATOM 0 HA GLU A -4 -15.624 -8.466 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -15.124 -5.854 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -13.986 -7.185 -0.835 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -15.749 -8.710 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -16.835 -7.341 -1.950 1.00 0.00 H new ATOM 32 N PHE A -3 -15.159 -5.568 2.072 1.00 0.00 N ATOM 33 CA PHE A -3 -14.409 -4.926 3.188 1.00 0.00 C ATOM 34 C PHE A -3 -15.257 -4.960 4.462 1.00 0.00 C ATOM 35 O PHE A -3 -16.434 -4.652 4.444 1.00 0.00 O ATOM 36 CB PHE A -3 -14.094 -3.473 2.828 1.00 0.00 C ATOM 37 CG PHE A -3 -13.240 -2.861 3.912 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.849 -3.034 3.891 1.00 0.00 C ATOM 39 CD2 PHE A -3 -13.836 -2.125 4.943 1.00 0.00 C ATOM 40 CE1 PHE A -3 -11.058 -2.470 4.898 1.00 0.00 C ATOM 41 CE2 PHE A -3 -13.045 -1.562 5.951 1.00 0.00 C ATOM 42 CZ PHE A -3 -11.656 -1.734 5.928 1.00 0.00 C ATOM 0 H PHE A -3 -15.904 -5.001 1.666 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.479 -5.469 3.354 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -13.574 -3.429 1.871 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -15.018 -2.906 2.715 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.388 -3.603 3.097 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -14.908 -1.991 4.961 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.986 -2.602 4.881 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -13.506 -0.995 6.746 1.00 0.00 H new ATOM 0 HZ PHE A -3 -11.045 -1.299 6.705 1.00 0.00 H new ATOM 52 N LYS A -2 -14.667 -5.327 5.566 1.00 0.00 N ATOM 53 CA LYS A -2 -15.431 -5.381 6.845 1.00 0.00 C ATOM 54 C LYS A -2 -14.644 -4.648 7.933 1.00 0.00 C ATOM 55 O LYS A -2 -13.467 -4.385 7.788 1.00 0.00 O ATOM 56 CB LYS A -2 -15.640 -6.841 7.255 1.00 0.00 C ATOM 57 CG LYS A -2 -14.285 -7.500 7.528 1.00 0.00 C ATOM 58 CD LYS A -2 -14.495 -8.976 7.878 1.00 0.00 C ATOM 59 CE LYS A -2 -15.024 -9.726 6.653 1.00 0.00 C ATOM 60 NZ LYS A -2 -14.632 -11.162 6.743 1.00 0.00 N ATOM 0 H LYS A -2 -13.685 -5.593 5.638 1.00 0.00 H new ATOM 0 HA LYS A -2 -16.402 -4.903 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -16.266 -6.892 8.146 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -16.164 -7.379 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -13.643 -7.411 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -13.779 -6.990 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -13.556 -9.418 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -15.200 -9.067 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -16.109 -9.637 6.599 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -14.622 -9.284 5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -14.991 -11.673 5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -13.595 -11.237 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -15.036 -11.579 7.606 1.00 0.00 H new ATOM 74 N ALA A -1 -15.284 -4.315 9.022 1.00 0.00 N ATOM 75 CA ALA A -1 -14.570 -3.598 10.117 1.00 0.00 C ATOM 76 C ALA A -1 -13.185 -4.217 10.313 1.00 0.00 C ATOM 77 O ALA A -1 -13.034 -5.234 10.960 1.00 0.00 O ATOM 78 CB ALA A -1 -15.370 -3.719 11.415 1.00 0.00 C ATOM 0 H ALA A -1 -16.270 -4.508 9.200 1.00 0.00 H new ATOM 0 HA ALA A -1 -14.465 -2.546 9.853 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -14.847 -3.195 12.215 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -16.357 -3.278 11.276 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -15.477 -4.771 11.680 1.00 0.00 H new ATOM 84 N GLY A 1 -12.174 -3.612 9.755 1.00 0.00 N ATOM 85 CA GLY A 1 -10.798 -4.165 9.906 1.00 0.00 C ATOM 86 C GLY A 1 -10.361 -4.062 11.368 1.00 0.00 C ATOM 87 O GLY A 1 -10.541 -3.046 12.010 1.00 0.00 O ATOM 0 H GLY A 1 -12.240 -2.758 9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.776 -5.205 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.103 -3.618 9.269 1.00 0.00 H new ATOM 91 N SER A 2 -9.785 -5.106 11.897 1.00 0.00 N ATOM 92 CA SER A 2 -9.334 -5.066 13.316 1.00 0.00 C ATOM 93 C SER A 2 -8.219 -4.030 13.462 1.00 0.00 C ATOM 94 O SER A 2 -7.944 -3.547 14.544 1.00 0.00 O ATOM 95 CB SER A 2 -8.808 -6.443 13.724 1.00 0.00 C ATOM 96 OG SER A 2 -7.603 -6.713 13.021 1.00 0.00 O ATOM 0 H SER A 2 -9.607 -5.984 11.409 1.00 0.00 H new ATOM 0 HA SER A 2 -10.172 -4.795 13.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.630 -6.473 14.799 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.551 -7.209 13.503 1.00 0.00 H new ATOM 0 HG SER A 2 -7.808 -6.909 12.083 1.00 0.00 H new ATOM 102 N ALA A 3 -7.572 -3.685 12.382 1.00 0.00 N ATOM 103 CA ALA A 3 -6.475 -2.683 12.461 1.00 0.00 C ATOM 104 C ALA A 3 -5.492 -3.095 13.558 1.00 0.00 C ATOM 105 O ALA A 3 -5.202 -4.260 13.737 1.00 0.00 O ATOM 106 CB ALA A 3 -7.060 -1.308 12.790 1.00 0.00 C ATOM 0 H ALA A 3 -7.757 -4.054 11.449 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.956 -2.635 11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.256 -0.575 12.848 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.763 -1.015 12.010 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.579 -1.353 13.747 1.00 0.00 H new ATOM 112 N LYS A 4 -4.980 -2.148 14.294 1.00 0.00 N ATOM 113 CA LYS A 4 -4.019 -2.486 15.381 1.00 0.00 C ATOM 114 C LYS A 4 -2.848 -3.286 14.805 1.00 0.00 C ATOM 115 O LYS A 4 -1.785 -2.752 14.553 1.00 0.00 O ATOM 116 CB LYS A 4 -4.730 -3.321 16.449 1.00 0.00 C ATOM 117 CG LYS A 4 -3.794 -3.528 17.641 1.00 0.00 C ATOM 118 CD LYS A 4 -4.482 -4.412 18.682 1.00 0.00 C ATOM 119 CE LYS A 4 -3.611 -4.494 19.938 1.00 0.00 C ATOM 120 NZ LYS A 4 -2.320 -5.160 19.604 1.00 0.00 N ATOM 0 H LYS A 4 -5.186 -1.154 14.190 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.642 -1.566 15.828 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.642 -2.818 16.772 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.027 -4.284 16.035 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.865 -3.992 17.311 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.531 -2.566 18.082 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.461 -4.003 18.932 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.647 -5.410 18.275 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.426 -3.494 20.331 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.130 -5.052 20.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.839 -5.445 20.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.504 -6.001 19.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.715 -4.499 19.077 1.00 0.00 H new ATOM 134 N LYS A 5 -3.025 -4.564 14.600 1.00 0.00 N ATOM 135 CA LYS A 5 -1.913 -5.390 14.050 1.00 0.00 C ATOM 136 C LYS A 5 -1.472 -4.824 12.697 1.00 0.00 C ATOM 137 O LYS A 5 -0.296 -4.681 12.430 1.00 0.00 O ATOM 138 CB LYS A 5 -2.388 -6.832 13.868 1.00 0.00 C ATOM 139 CG LYS A 5 -2.713 -7.439 15.236 1.00 0.00 C ATOM 140 CD LYS A 5 -3.074 -8.915 15.066 1.00 0.00 C ATOM 141 CE LYS A 5 -3.512 -9.493 16.413 1.00 0.00 C ATOM 142 NZ LYS A 5 -2.477 -10.445 16.906 1.00 0.00 N ATOM 0 H LYS A 5 -3.890 -5.070 14.789 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.072 -5.369 14.743 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.270 -6.858 13.228 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.617 -7.420 13.371 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.857 -7.337 15.903 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.542 -6.902 15.697 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.875 -9.022 14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.216 -9.468 14.683 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.656 -8.690 17.136 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.470 -10.003 16.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.775 -10.838 17.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.360 -11.217 16.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.572 -9.945 17.022 1.00 0.00 H new ATOM 156 N GLY A 6 -2.402 -4.500 11.840 1.00 0.00 N ATOM 157 CA GLY A 6 -2.023 -3.941 10.513 1.00 0.00 C ATOM 158 C GLY A 6 -1.243 -2.640 10.709 1.00 0.00 C ATOM 159 O GLY A 6 -0.367 -2.307 9.936 1.00 0.00 O ATOM 0 H GLY A 6 -3.404 -4.598 12.001 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.417 -4.661 9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.916 -3.755 9.917 1.00 0.00 H new ATOM 163 N ALA A 7 -1.561 -1.896 11.734 1.00 0.00 N ATOM 164 CA ALA A 7 -0.842 -0.613 11.973 1.00 0.00 C ATOM 165 C ALA A 7 0.645 -0.887 12.198 1.00 0.00 C ATOM 166 O ALA A 7 1.499 -0.223 11.644 1.00 0.00 O ATOM 167 CB ALA A 7 -1.424 0.074 13.210 1.00 0.00 C ATOM 0 H ALA A 7 -2.286 -2.121 12.415 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.962 0.033 11.104 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.899 1.013 13.386 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.483 0.275 13.050 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.305 -0.576 14.077 1.00 0.00 H new ATOM 173 N THR A 8 0.963 -1.861 13.001 1.00 0.00 N ATOM 174 CA THR A 8 2.394 -2.177 13.254 1.00 0.00 C ATOM 175 C THR A 8 2.996 -2.827 12.009 1.00 0.00 C ATOM 176 O THR A 8 4.147 -2.614 11.683 1.00 0.00 O ATOM 177 CB THR A 8 2.496 -3.139 14.439 1.00 0.00 C ATOM 178 OG1 THR A 8 1.902 -4.382 14.089 1.00 0.00 O ATOM 179 CG2 THR A 8 1.770 -2.545 15.647 1.00 0.00 C ATOM 0 H THR A 8 0.294 -2.452 13.493 1.00 0.00 H new ATOM 0 HA THR A 8 2.940 -1.261 13.483 1.00 0.00 H new ATOM 0 HB THR A 8 3.545 -3.295 14.692 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.121 -4.222 13.519 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.844 -3.232 16.490 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.227 -1.592 15.914 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.720 -2.387 15.399 1.00 0.00 H new ATOM 187 N LEU A 9 2.225 -3.609 11.300 1.00 0.00 N ATOM 188 CA LEU A 9 2.767 -4.254 10.071 1.00 0.00 C ATOM 189 C LEU A 9 3.272 -3.151 9.147 1.00 0.00 C ATOM 190 O LEU A 9 4.314 -3.260 8.533 1.00 0.00 O ATOM 191 CB LEU A 9 1.654 -5.038 9.370 1.00 0.00 C ATOM 192 CG LEU A 9 2.245 -5.829 8.200 1.00 0.00 C ATOM 193 CD1 LEU A 9 2.729 -7.190 8.699 1.00 0.00 C ATOM 194 CD2 LEU A 9 1.174 -6.036 7.127 1.00 0.00 C ATOM 0 H LEU A 9 1.252 -3.827 11.517 1.00 0.00 H new ATOM 0 HA LEU A 9 3.575 -4.940 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.173 -5.716 10.075 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.885 -4.355 9.009 1.00 0.00 H new ATOM 0 HG LEU A 9 3.082 -5.275 7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.150 -7.754 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.493 -7.047 9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.890 -7.741 9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.597 -6.599 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.336 -6.589 7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.825 -5.067 6.769 1.00 0.00 H new ATOM 206 N PHE A 10 2.539 -2.077 9.065 1.00 0.00 N ATOM 207 CA PHE A 10 2.961 -0.939 8.205 1.00 0.00 C ATOM 208 C PHE A 10 4.284 -0.391 8.740 1.00 0.00 C ATOM 209 O PHE A 10 5.226 -0.165 8.005 1.00 0.00 O ATOM 210 CB PHE A 10 1.888 0.151 8.278 1.00 0.00 C ATOM 211 CG PHE A 10 2.214 1.260 7.312 1.00 0.00 C ATOM 212 CD1 PHE A 10 1.813 1.163 5.973 1.00 0.00 C ATOM 213 CD2 PHE A 10 2.912 2.388 7.754 1.00 0.00 C ATOM 214 CE1 PHE A 10 2.114 2.196 5.079 1.00 0.00 C ATOM 215 CE2 PHE A 10 3.214 3.418 6.858 1.00 0.00 C ATOM 216 CZ PHE A 10 2.815 3.322 5.522 1.00 0.00 C ATOM 0 H PHE A 10 1.659 -1.938 9.561 1.00 0.00 H new ATOM 0 HA PHE A 10 3.087 -1.262 7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.911 -0.272 8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.828 0.547 9.292 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.273 0.292 5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.218 2.464 8.787 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.805 2.124 4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.756 4.288 7.198 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.048 4.118 4.831 1.00 0.00 H new ATOM 226 N LYS A 11 4.350 -0.178 10.025 1.00 0.00 N ATOM 227 CA LYS A 11 5.594 0.352 10.645 1.00 0.00 C ATOM 228 C LYS A 11 6.740 -0.645 10.456 1.00 0.00 C ATOM 229 O LYS A 11 7.877 -0.271 10.253 1.00 0.00 O ATOM 230 CB LYS A 11 5.353 0.553 12.143 1.00 0.00 C ATOM 231 CG LYS A 11 6.511 1.353 12.745 1.00 0.00 C ATOM 232 CD LYS A 11 6.299 1.504 14.253 1.00 0.00 C ATOM 233 CE LYS A 11 7.361 2.444 14.826 1.00 0.00 C ATOM 234 NZ LYS A 11 6.935 2.909 16.177 1.00 0.00 N ATOM 0 H LYS A 11 3.586 -0.351 10.678 1.00 0.00 H new ATOM 0 HA LYS A 11 5.858 1.298 10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.412 1.079 12.303 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.267 -0.413 12.641 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.457 0.847 12.549 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.571 2.335 12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.303 1.898 14.453 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.360 0.530 14.739 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.320 1.930 14.892 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.502 3.298 14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.656 3.548 16.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.029 3.414 16.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.822 2.089 16.807 1.00 0.00 H new ATOM 248 N THR A 12 6.447 -1.910 10.555 1.00 0.00 N ATOM 249 CA THR A 12 7.513 -2.944 10.420 1.00 0.00 C ATOM 250 C THR A 12 8.043 -3.016 8.982 1.00 0.00 C ATOM 251 O THR A 12 9.208 -3.283 8.766 1.00 0.00 O ATOM 252 CB THR A 12 6.942 -4.308 10.812 1.00 0.00 C ATOM 253 OG1 THR A 12 5.941 -4.686 9.881 1.00 0.00 O ATOM 254 CG2 THR A 12 6.333 -4.225 12.214 1.00 0.00 C ATOM 0 H THR A 12 5.510 -2.276 10.725 1.00 0.00 H new ATOM 0 HA THR A 12 8.339 -2.671 11.077 1.00 0.00 H new ATOM 0 HB THR A 12 7.740 -5.050 10.809 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.512 -3.883 9.518 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.926 -5.197 12.492 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.103 -3.936 12.929 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.535 -3.483 12.221 1.00 0.00 H new ATOM 262 N ARG A 13 7.214 -2.805 7.996 1.00 0.00 N ATOM 263 CA ARG A 13 7.720 -2.897 6.595 1.00 0.00 C ATOM 264 C ARG A 13 6.927 -1.975 5.665 1.00 0.00 C ATOM 265 O ARG A 13 6.340 -2.421 4.699 1.00 0.00 O ATOM 266 CB ARG A 13 7.582 -4.340 6.098 1.00 0.00 C ATOM 267 CG ARG A 13 8.501 -5.259 6.908 1.00 0.00 C ATOM 268 CD ARG A 13 8.486 -6.662 6.297 1.00 0.00 C ATOM 269 NE ARG A 13 9.206 -7.605 7.199 1.00 0.00 N ATOM 270 CZ ARG A 13 10.509 -7.571 7.272 1.00 0.00 C ATOM 271 NH1 ARG A 13 11.180 -6.709 6.556 1.00 0.00 N ATOM 272 NH2 ARG A 13 11.139 -8.396 8.060 1.00 0.00 N ATOM 0 H ARG A 13 6.225 -2.577 8.095 1.00 0.00 H new ATOM 0 HA ARG A 13 8.766 -2.590 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.547 -4.670 6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.838 -4.396 5.040 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.517 -4.863 6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.170 -5.299 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.459 -6.995 6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.960 -6.648 5.315 1.00 0.00 H new ATOM 0 HE ARG A 13 8.681 -8.277 7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.686 -6.063 5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.198 -6.682 6.613 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.614 -9.068 8.620 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.157 -8.370 8.117 1.00 0.00 H new ATOM 286 N CYS A 14 6.914 -0.698 5.923 1.00 0.00 N ATOM 287 CA CYS A 14 6.166 0.220 5.018 1.00 0.00 C ATOM 288 C CYS A 14 6.462 1.679 5.376 1.00 0.00 C ATOM 289 O CYS A 14 6.789 2.481 4.525 1.00 0.00 O ATOM 290 CB CYS A 14 4.666 -0.046 5.141 1.00 0.00 C ATOM 291 SG CYS A 14 3.845 0.460 3.608 1.00 0.00 S ATOM 0 H CYS A 14 7.383 -0.253 6.712 1.00 0.00 H new ATOM 0 HA CYS A 14 6.485 0.039 3.992 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.486 -1.104 5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.255 0.505 5.987 1.00 0.00 H new ATOM 296 N LEU A 15 6.343 2.034 6.624 1.00 0.00 N ATOM 297 CA LEU A 15 6.612 3.446 7.026 1.00 0.00 C ATOM 298 C LEU A 15 8.031 3.842 6.612 1.00 0.00 C ATOM 299 O LEU A 15 8.278 4.961 6.208 1.00 0.00 O ATOM 300 CB LEU A 15 6.461 3.580 8.546 1.00 0.00 C ATOM 301 CG LEU A 15 6.638 5.043 8.973 1.00 0.00 C ATOM 302 CD1 LEU A 15 5.355 5.831 8.695 1.00 0.00 C ATOM 303 CD2 LEU A 15 6.944 5.097 10.469 1.00 0.00 C ATOM 0 H LEU A 15 6.072 1.410 7.384 1.00 0.00 H new ATOM 0 HA LEU A 15 5.899 4.105 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.479 3.221 8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.200 2.956 9.048 1.00 0.00 H new ATOM 0 HG LEU A 15 7.459 5.483 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.491 6.868 9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.129 5.794 7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.530 5.392 9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.071 6.135 10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.119 4.651 11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.861 4.543 10.673 1.00 0.00 H new ATOM 315 N GLN A 16 8.966 2.943 6.717 1.00 0.00 N ATOM 316 CA GLN A 16 10.367 3.281 6.335 1.00 0.00 C ATOM 317 C GLN A 16 10.412 3.732 4.874 1.00 0.00 C ATOM 318 O GLN A 16 11.178 4.600 4.507 1.00 0.00 O ATOM 319 CB GLN A 16 11.253 2.047 6.512 1.00 0.00 C ATOM 320 CG GLN A 16 11.307 1.665 7.990 1.00 0.00 C ATOM 321 CD GLN A 16 12.162 0.407 8.163 1.00 0.00 C ATOM 322 OE1 GLN A 16 12.423 -0.298 7.209 1.00 0.00 O ATOM 323 NE2 GLN A 16 12.612 0.096 9.347 1.00 0.00 N ATOM 0 H GLN A 16 8.824 1.989 7.050 1.00 0.00 H new ATOM 0 HA GLN A 16 10.729 4.088 6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.860 1.217 5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.258 2.251 6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.726 2.485 8.573 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.300 1.488 8.367 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.393 0.688 10.148 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.183 -0.740 9.472 1.00 0.00 H new ATOM 332 N CYS A 17 9.608 3.143 4.033 1.00 0.00 N ATOM 333 CA CYS A 17 9.621 3.534 2.594 1.00 0.00 C ATOM 334 C CYS A 17 8.534 4.575 2.308 1.00 0.00 C ATOM 335 O CYS A 17 8.750 5.520 1.574 1.00 0.00 O ATOM 336 CB CYS A 17 9.359 2.301 1.731 1.00 0.00 C ATOM 337 SG CYS A 17 10.738 1.139 1.888 1.00 0.00 S ATOM 0 H CYS A 17 8.943 2.409 4.278 1.00 0.00 H new ATOM 0 HA CYS A 17 10.596 3.961 2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.430 1.821 2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.236 2.595 0.689 1.00 0.00 H new ATOM 342 N HIS A 18 7.364 4.400 2.861 1.00 0.00 N ATOM 343 CA HIS A 18 6.260 5.370 2.597 1.00 0.00 C ATOM 344 C HIS A 18 5.993 6.224 3.838 1.00 0.00 C ATOM 345 O HIS A 18 5.755 5.717 4.916 1.00 0.00 O ATOM 346 CB HIS A 18 4.995 4.589 2.236 1.00 0.00 C ATOM 347 CG HIS A 18 5.145 3.977 0.871 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.074 4.725 -0.299 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.333 2.682 0.476 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.215 3.873 -1.336 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.375 2.621 -0.910 1.00 0.00 N ATOM 0 H HIS A 18 7.124 3.628 3.484 1.00 0.00 H new ATOM 0 HA HIS A 18 6.546 6.027 1.776 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.815 3.809 2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.130 5.252 2.254 1.00 0.00 H new ATOM 0 HD1 HIS A 18 4.940 5.734 -0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.433 1.836 1.140 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.200 4.168 -2.375 1.00 0.00 H new ATOM 359 N THR A 19 6.019 7.523 3.688 1.00 0.00 N ATOM 360 CA THR A 19 5.757 8.417 4.851 1.00 0.00 C ATOM 361 C THR A 19 4.248 8.655 4.983 1.00 0.00 C ATOM 362 O THR A 19 3.744 8.927 6.054 1.00 0.00 O ATOM 363 CB THR A 19 6.467 9.757 4.637 1.00 0.00 C ATOM 364 OG1 THR A 19 5.887 10.425 3.525 1.00 0.00 O ATOM 365 CG2 THR A 19 7.952 9.512 4.372 1.00 0.00 C ATOM 0 H THR A 19 6.211 8.002 2.808 1.00 0.00 H new ATOM 0 HA THR A 19 6.133 7.948 5.760 1.00 0.00 H new ATOM 0 HB THR A 19 6.358 10.374 5.529 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.338 10.142 2.702 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.457 10.466 4.220 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.394 9.000 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.066 8.895 3.481 1.00 0.00 H new ATOM 373 N VAL A 20 3.527 8.551 3.900 1.00 0.00 N ATOM 374 CA VAL A 20 2.051 8.768 3.955 1.00 0.00 C ATOM 375 C VAL A 20 1.746 10.214 4.355 1.00 0.00 C ATOM 376 O VAL A 20 0.599 10.608 4.446 1.00 0.00 O ATOM 377 CB VAL A 20 1.432 7.824 4.984 1.00 0.00 C ATOM 378 CG1 VAL A 20 -0.058 7.647 4.685 1.00 0.00 C ATOM 379 CG2 VAL A 20 2.128 6.466 4.912 1.00 0.00 C ATOM 0 H VAL A 20 3.896 8.325 2.977 1.00 0.00 H new ATOM 0 HA VAL A 20 1.629 8.569 2.970 1.00 0.00 H new ATOM 0 HB VAL A 20 1.555 8.245 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.499 6.973 5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.557 8.615 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.181 7.226 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.687 5.792 5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.005 6.046 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.190 6.590 5.125 1.00 0.00 H new ATOM 389 N GLU A 21 2.751 11.010 4.595 1.00 0.00 N ATOM 390 CA GLU A 21 2.490 12.425 4.986 1.00 0.00 C ATOM 391 C GLU A 21 2.563 13.320 3.748 1.00 0.00 C ATOM 392 O GLU A 21 3.579 13.399 3.086 1.00 0.00 O ATOM 393 CB GLU A 21 3.540 12.878 6.004 1.00 0.00 C ATOM 394 CG GLU A 21 3.424 12.028 7.271 1.00 0.00 C ATOM 395 CD GLU A 21 4.422 12.532 8.316 1.00 0.00 C ATOM 396 OE1 GLU A 21 5.243 13.365 7.969 1.00 0.00 O ATOM 397 OE2 GLU A 21 4.349 12.074 9.445 1.00 0.00 O ATOM 0 H GLU A 21 3.734 10.745 4.538 1.00 0.00 H new ATOM 0 HA GLU A 21 1.497 12.499 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.539 12.781 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.397 13.931 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.409 12.081 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.621 10.981 7.039 1.00 0.00 H new ATOM 404 N LYS A 22 1.493 13.998 3.433 1.00 0.00 N ATOM 405 CA LYS A 22 1.502 14.891 2.239 1.00 0.00 C ATOM 406 C LYS A 22 2.412 16.091 2.507 1.00 0.00 C ATOM 407 O LYS A 22 3.140 16.535 1.642 1.00 0.00 O ATOM 408 CB LYS A 22 0.076 15.373 1.953 1.00 0.00 C ATOM 409 CG LYS A 22 -0.387 16.313 3.069 1.00 0.00 C ATOM 410 CD LYS A 22 -1.861 16.664 2.860 1.00 0.00 C ATOM 411 CE LYS A 22 -2.240 17.837 3.767 1.00 0.00 C ATOM 412 NZ LYS A 22 -1.625 19.089 3.243 1.00 0.00 N ATOM 0 H LYS A 22 0.614 13.972 3.950 1.00 0.00 H new ATOM 0 HA LYS A 22 1.876 14.343 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.042 15.889 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.598 14.520 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.249 15.838 4.040 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.218 17.220 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.039 16.925 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.487 15.800 3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.324 17.942 3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.898 17.649 4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.152 19.911 3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.636 19.148 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.657 19.083 2.204 1.00 0.00 H new ATOM 426 N GLY A 23 2.376 16.619 3.699 1.00 0.00 N ATOM 427 CA GLY A 23 3.238 17.791 4.023 1.00 0.00 C ATOM 428 C GLY A 23 4.705 17.417 3.823 1.00 0.00 C ATOM 429 O GLY A 23 5.505 18.215 3.373 1.00 0.00 O ATOM 0 H GLY A 23 1.787 16.290 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.977 18.635 3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.069 18.106 5.053 1.00 0.00 H new ATOM 433 N GLY A 24 5.066 16.209 4.153 1.00 0.00 N ATOM 434 CA GLY A 24 6.483 15.781 3.984 1.00 0.00 C ATOM 435 C GLY A 24 6.748 15.462 2.510 1.00 0.00 C ATOM 436 O GLY A 24 5.839 15.152 1.764 1.00 0.00 O ATOM 0 H GLY A 24 4.441 15.498 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.155 16.569 4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.685 14.904 4.599 1.00 0.00 H new ATOM 440 N PRO A 25 7.985 15.530 2.096 1.00 0.00 N ATOM 441 CA PRO A 25 8.383 15.238 0.689 1.00 0.00 C ATOM 442 C PRO A 25 8.336 13.740 0.386 1.00 0.00 C ATOM 443 O PRO A 25 7.689 12.979 1.077 1.00 0.00 O ATOM 444 CB PRO A 25 9.819 15.750 0.607 1.00 0.00 C ATOM 445 CG PRO A 25 10.342 15.652 1.999 1.00 0.00 C ATOM 446 CD PRO A 25 9.148 15.894 2.924 1.00 0.00 C ATOM 0 HA PRO A 25 7.713 15.706 -0.032 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.414 15.150 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.852 16.777 0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.782 14.672 2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.125 16.390 2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.207 15.280 3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.098 16.933 3.250 1.00 0.00 H new ATOM 454 N HIS A 26 9.022 13.311 -0.638 1.00 0.00 N ATOM 455 CA HIS A 26 9.022 11.861 -0.978 1.00 0.00 C ATOM 456 C HIS A 26 10.356 11.246 -0.556 1.00 0.00 C ATOM 457 O HIS A 26 11.409 11.799 -0.802 1.00 0.00 O ATOM 458 CB HIS A 26 8.839 11.691 -2.489 1.00 0.00 C ATOM 459 CG HIS A 26 7.505 12.247 -2.906 1.00 0.00 C ATOM 460 ND1 HIS A 26 6.341 11.493 -2.854 1.00 0.00 N ATOM 461 CD2 HIS A 26 7.136 13.475 -3.396 1.00 0.00 C ATOM 462 CE1 HIS A 26 5.335 12.267 -3.303 1.00 0.00 C ATOM 463 NE2 HIS A 26 5.768 13.482 -3.643 1.00 0.00 N ATOM 0 H HIS A 26 9.582 13.902 -1.253 1.00 0.00 H new ATOM 0 HA HIS A 26 8.206 11.362 -0.455 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.640 12.204 -3.022 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.903 10.636 -2.756 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.805 14.306 -3.564 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.307 11.945 -3.378 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.211 14.255 -4.008 1.00 0.00 H new ATOM 472 N LYS A 27 10.323 10.107 0.079 1.00 0.00 N ATOM 473 CA LYS A 27 11.593 9.462 0.515 1.00 0.00 C ATOM 474 C LYS A 27 11.946 8.337 -0.462 1.00 0.00 C ATOM 475 O LYS A 27 12.022 8.544 -1.657 1.00 0.00 O ATOM 476 CB LYS A 27 11.416 8.888 1.924 1.00 0.00 C ATOM 477 CG LYS A 27 12.786 8.586 2.538 1.00 0.00 C ATOM 478 CD LYS A 27 12.599 7.955 3.918 1.00 0.00 C ATOM 479 CE LYS A 27 13.960 7.802 4.599 1.00 0.00 C ATOM 480 NZ LYS A 27 13.988 6.529 5.373 1.00 0.00 N ATOM 0 H LYS A 27 9.472 9.596 0.315 1.00 0.00 H new ATOM 0 HA LYS A 27 12.396 10.199 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.875 9.598 2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.817 7.978 1.883 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.346 7.911 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.369 9.503 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.943 8.577 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.117 6.982 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.754 7.804 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.144 8.647 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.913 6.425 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.239 6.545 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.831 5.728 4.729 1.00 0.00 H new ATOM 494 N VAL A 28 12.157 7.149 0.032 1.00 0.00 N ATOM 495 CA VAL A 28 12.499 6.017 -0.874 1.00 0.00 C ATOM 496 C VAL A 28 11.331 5.763 -1.827 1.00 0.00 C ATOM 497 O VAL A 28 11.520 5.485 -2.995 1.00 0.00 O ATOM 498 CB VAL A 28 12.768 4.760 -0.045 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.959 3.564 -0.979 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.034 4.962 0.791 1.00 0.00 C ATOM 0 H VAL A 28 12.108 6.913 1.023 1.00 0.00 H new ATOM 0 HA VAL A 28 13.391 6.266 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 28 11.922 4.573 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.151 2.668 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.058 3.420 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.805 3.750 -1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.226 4.067 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.880 5.149 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.898 5.814 1.457 1.00 0.00 H new ATOM 510 N GLY A 29 10.124 5.855 -1.333 1.00 0.00 N ATOM 511 CA GLY A 29 8.936 5.618 -2.202 1.00 0.00 C ATOM 512 C GLY A 29 7.991 6.820 -2.112 1.00 0.00 C ATOM 513 O GLY A 29 8.116 7.655 -1.239 1.00 0.00 O ATOM 0 H GLY A 29 9.910 6.085 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.251 5.466 -3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.419 4.711 -1.890 1.00 0.00 H new ATOM 517 N PRO A 30 7.053 6.898 -3.016 1.00 0.00 N ATOM 518 CA PRO A 30 6.058 8.011 -3.058 1.00 0.00 C ATOM 519 C PRO A 30 5.187 8.056 -1.797 1.00 0.00 C ATOM 520 O PRO A 30 4.938 7.045 -1.174 1.00 0.00 O ATOM 521 CB PRO A 30 5.205 7.700 -4.294 1.00 0.00 C ATOM 522 CG PRO A 30 5.424 6.253 -4.578 1.00 0.00 C ATOM 523 CD PRO A 30 6.836 5.930 -4.096 1.00 0.00 C ATOM 0 HA PRO A 30 6.544 8.986 -3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.152 7.908 -4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.505 8.316 -5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.687 5.639 -4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.320 6.046 -5.643 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.914 4.903 -3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.570 6.046 -4.894 1.00 0.00 H new ATOM 531 N ASN A 31 4.727 9.214 -1.414 1.00 0.00 N ATOM 532 CA ASN A 31 3.881 9.311 -0.190 1.00 0.00 C ATOM 533 C ASN A 31 2.431 8.963 -0.540 1.00 0.00 C ATOM 534 O ASN A 31 1.933 9.321 -1.588 1.00 0.00 O ATOM 535 CB ASN A 31 3.935 10.740 0.355 1.00 0.00 C ATOM 536 CG ASN A 31 5.390 11.200 0.459 1.00 0.00 C ATOM 537 OD1 ASN A 31 6.296 10.381 0.923 1.00 0.00 O flip ATOM 538 ND2 ASN A 31 5.708 12.319 0.110 1.00 0.00 N flip ATOM 0 H ASN A 31 4.899 10.097 -1.894 1.00 0.00 H new ATOM 0 HA ASN A 31 4.254 8.615 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.378 11.410 -0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.459 10.784 1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.002 12.960 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.681 12.618 0.179 1.00 0.00 H new ATOM 545 N LEU A 32 1.747 8.269 0.332 1.00 0.00 N ATOM 546 CA LEU A 32 0.329 7.905 0.047 1.00 0.00 C ATOM 547 C LEU A 32 -0.609 8.866 0.778 1.00 0.00 C ATOM 548 O LEU A 32 -0.400 9.201 1.928 1.00 0.00 O ATOM 549 CB LEU A 32 0.054 6.476 0.522 1.00 0.00 C ATOM 550 CG LEU A 32 0.870 5.484 -0.314 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.357 5.599 0.035 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.389 4.061 -0.020 1.00 0.00 C ATOM 0 H LEU A 32 2.109 7.940 1.227 1.00 0.00 H new ATOM 0 HA LEU A 32 0.156 7.972 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.314 6.377 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.009 6.252 0.433 1.00 0.00 H new ATOM 0 HG LEU A 32 0.734 5.711 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.927 4.890 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.703 6.611 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.501 5.378 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.967 3.352 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.524 3.843 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.667 3.973 -0.277 1.00 0.00 H new ATOM 564 N HIS A 33 -1.645 9.307 0.121 1.00 0.00 N ATOM 565 CA HIS A 33 -2.608 10.241 0.772 1.00 0.00 C ATOM 566 C HIS A 33 -3.816 10.425 -0.145 1.00 0.00 C ATOM 567 O HIS A 33 -3.783 11.198 -1.082 1.00 0.00 O ATOM 568 CB HIS A 33 -1.932 11.591 1.013 1.00 0.00 C ATOM 569 CG HIS A 33 -2.936 12.565 1.564 1.00 0.00 C ATOM 570 ND1 HIS A 33 -4.008 13.028 0.813 1.00 0.00 N ATOM 571 CD2 HIS A 33 -3.047 13.174 2.790 1.00 0.00 C ATOM 572 CE1 HIS A 33 -4.710 13.876 1.587 1.00 0.00 C ATOM 573 NE2 HIS A 33 -4.166 13.998 2.798 1.00 0.00 N ATOM 0 H HIS A 33 -1.868 9.060 -0.843 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.931 9.831 1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.102 11.475 1.710 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.514 11.972 0.081 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.224 12.772 -0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.370 13.034 3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.603 14.393 1.267 1.00 0.00 H new ATOM 582 N GLY A 34 -4.878 9.715 0.109 1.00 0.00 N ATOM 583 CA GLY A 34 -6.080 9.840 -0.759 1.00 0.00 C ATOM 584 C GLY A 34 -5.914 8.911 -1.960 1.00 0.00 C ATOM 585 O GLY A 34 -6.686 8.941 -2.896 1.00 0.00 O ATOM 0 H GLY A 34 -4.966 9.053 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.979 9.579 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.200 10.871 -1.092 1.00 0.00 H new ATOM 589 N ILE A 35 -4.903 8.085 -1.934 1.00 0.00 N ATOM 590 CA ILE A 35 -4.669 7.148 -3.066 1.00 0.00 C ATOM 591 C ILE A 35 -5.889 6.241 -3.240 1.00 0.00 C ATOM 592 O ILE A 35 -6.129 5.706 -4.304 1.00 0.00 O ATOM 593 CB ILE A 35 -3.433 6.296 -2.775 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.975 5.599 -4.059 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.778 5.244 -1.721 1.00 0.00 C ATOM 596 CD1 ILE A 35 -1.569 5.029 -3.857 1.00 0.00 C ATOM 0 H ILE A 35 -4.227 8.020 -1.173 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.509 7.717 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.632 6.935 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.669 4.800 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.977 6.305 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.898 4.636 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.102 5.739 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.580 4.606 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.243 4.533 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.879 5.838 -3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.582 4.309 -3.038 1.00 0.00 H new ATOM 608 N PHE A 36 -6.662 6.063 -2.204 1.00 0.00 N ATOM 609 CA PHE A 36 -7.862 5.193 -2.314 1.00 0.00 C ATOM 610 C PHE A 36 -8.832 5.800 -3.328 1.00 0.00 C ATOM 611 O PHE A 36 -9.075 6.989 -3.333 1.00 0.00 O ATOM 612 CB PHE A 36 -8.540 5.099 -0.946 1.00 0.00 C ATOM 613 CG PHE A 36 -7.678 4.287 -0.010 1.00 0.00 C ATOM 614 CD1 PHE A 36 -7.827 2.895 0.041 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.733 4.922 0.809 1.00 0.00 C ATOM 616 CE1 PHE A 36 -7.033 2.138 0.908 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.939 4.161 1.676 1.00 0.00 C ATOM 618 CZ PHE A 36 -6.089 2.770 1.726 1.00 0.00 C ATOM 0 H PHE A 36 -6.513 6.483 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.569 4.196 -2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.698 6.097 -0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.522 4.636 -1.046 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.555 2.406 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.618 5.995 0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.148 1.065 0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.210 4.648 2.307 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.476 2.185 2.396 1.00 0.00 H new ATOM 628 N GLY A 37 -9.381 4.993 -4.196 1.00 0.00 N ATOM 629 CA GLY A 37 -10.324 5.533 -5.213 1.00 0.00 C ATOM 630 C GLY A 37 -9.565 6.507 -6.114 1.00 0.00 C ATOM 631 O GLY A 37 -10.121 7.459 -6.624 1.00 0.00 O ATOM 0 H GLY A 37 -9.217 3.987 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.747 4.721 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.157 6.040 -4.725 1.00 0.00 H new ATOM 635 N ARG A 38 -8.290 6.282 -6.299 1.00 0.00 N ATOM 636 CA ARG A 38 -7.485 7.204 -7.150 1.00 0.00 C ATOM 637 C ARG A 38 -6.596 6.393 -8.099 1.00 0.00 C ATOM 638 O ARG A 38 -6.244 5.263 -7.822 1.00 0.00 O ATOM 639 CB ARG A 38 -6.609 8.080 -6.254 1.00 0.00 C ATOM 640 CG ARG A 38 -5.964 9.189 -7.087 1.00 0.00 C ATOM 641 CD ARG A 38 -5.054 10.032 -6.191 1.00 0.00 C ATOM 642 NE ARG A 38 -4.584 11.229 -6.943 1.00 0.00 N ATOM 643 CZ ARG A 38 -4.023 12.221 -6.306 1.00 0.00 C ATOM 644 NH1 ARG A 38 -3.864 12.158 -5.012 1.00 0.00 N ATOM 645 NH2 ARG A 38 -3.620 13.275 -6.961 1.00 0.00 N ATOM 0 H ARG A 38 -7.773 5.500 -5.897 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.155 7.832 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.210 8.515 -5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.838 7.474 -5.779 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.388 8.757 -7.905 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.734 9.817 -7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.593 10.341 -5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.201 9.439 -5.861 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.700 11.274 -7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.178 11.334 -4.499 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.426 12.933 -4.514 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.743 13.325 -7.972 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.182 14.049 -6.462 1.00 0.00 H new ATOM 659 N HIS A 39 -6.233 6.962 -9.216 1.00 0.00 N ATOM 660 CA HIS A 39 -5.368 6.229 -10.183 1.00 0.00 C ATOM 661 C HIS A 39 -3.901 6.594 -9.940 1.00 0.00 C ATOM 662 O HIS A 39 -3.581 7.706 -9.569 1.00 0.00 O ATOM 663 CB HIS A 39 -5.760 6.614 -11.610 1.00 0.00 C ATOM 664 CG HIS A 39 -7.163 6.149 -11.888 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.269 6.963 -11.679 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.660 4.958 -12.358 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.364 6.258 -12.021 1.00 0.00 C ATOM 668 NE2 HIS A 39 -9.046 5.032 -12.440 1.00 0.00 N ATOM 0 H HIS A 39 -6.499 7.905 -9.501 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.501 5.156 -10.046 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.692 7.694 -11.738 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.069 6.164 -12.322 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.065 4.096 -12.623 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.373 6.638 -11.963 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.685 4.302 -12.754 1.00 0.00 H new ATOM 677 N SER A 40 -3.011 5.661 -10.141 1.00 0.00 N ATOM 678 CA SER A 40 -1.563 5.942 -9.916 1.00 0.00 C ATOM 679 C SER A 40 -1.051 6.937 -10.959 1.00 0.00 C ATOM 680 O SER A 40 -1.669 7.157 -11.981 1.00 0.00 O ATOM 681 CB SER A 40 -0.769 4.643 -10.035 1.00 0.00 C ATOM 682 OG SER A 40 -0.699 4.259 -11.401 1.00 0.00 O ATOM 0 H SER A 40 -3.224 4.713 -10.452 1.00 0.00 H new ATOM 0 HA SER A 40 -1.436 6.367 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.234 4.778 -9.632 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.245 3.857 -9.448 1.00 0.00 H new ATOM 0 HG SER A 40 -1.578 3.943 -11.697 1.00 0.00 H new ATOM 688 N GLY A 41 0.083 7.533 -10.706 1.00 0.00 N ATOM 689 CA GLY A 41 0.652 8.509 -11.676 1.00 0.00 C ATOM 690 C GLY A 41 0.266 9.932 -11.267 1.00 0.00 C ATOM 691 O GLY A 41 0.761 10.898 -11.811 1.00 0.00 O ATOM 0 H GLY A 41 0.641 7.384 -9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.737 8.412 -11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.282 8.296 -12.679 1.00 0.00 H new ATOM 695 N GLN A 42 -0.615 10.070 -10.314 1.00 0.00 N ATOM 696 CA GLN A 42 -1.029 11.434 -9.878 1.00 0.00 C ATOM 697 C GLN A 42 -0.240 11.864 -8.643 1.00 0.00 C ATOM 698 O GLN A 42 -0.496 12.903 -8.068 1.00 0.00 O ATOM 699 CB GLN A 42 -2.524 11.444 -9.564 1.00 0.00 C ATOM 700 CG GLN A 42 -3.309 11.302 -10.866 1.00 0.00 C ATOM 701 CD GLN A 42 -4.805 11.223 -10.560 1.00 0.00 C ATOM 702 OE1 GLN A 42 -5.196 10.954 -9.442 1.00 0.00 O ATOM 703 NE2 GLN A 42 -5.666 11.449 -11.514 1.00 0.00 N ATOM 0 H GLN A 42 -1.065 9.300 -9.820 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.823 12.136 -10.686 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.771 10.628 -8.885 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.796 12.371 -9.060 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.106 12.151 -11.519 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -2.989 10.407 -11.399 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.339 11.675 -12.453 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.666 11.400 -11.320 1.00 0.00 H new ATOM 712 N ALA A 43 0.725 11.089 -8.226 1.00 0.00 N ATOM 713 CA ALA A 43 1.515 11.495 -7.032 1.00 0.00 C ATOM 714 C ALA A 43 2.136 12.860 -7.314 1.00 0.00 C ATOM 715 O ALA A 43 2.333 13.661 -6.421 1.00 0.00 O ATOM 716 CB ALA A 43 2.623 10.473 -6.763 1.00 0.00 C ATOM 0 H ALA A 43 0.997 10.204 -8.655 1.00 0.00 H new ATOM 0 HA ALA A 43 0.868 11.544 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.195 10.779 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.179 9.494 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.284 10.417 -7.628 1.00 0.00 H new ATOM 722 N GLU A 44 2.431 13.131 -8.560 1.00 0.00 N ATOM 723 CA GLU A 44 3.029 14.445 -8.930 1.00 0.00 C ATOM 724 C GLU A 44 4.022 14.887 -7.854 1.00 0.00 C ATOM 725 O GLU A 44 3.657 15.489 -6.864 1.00 0.00 O ATOM 726 CB GLU A 44 1.911 15.481 -9.070 1.00 0.00 C ATOM 727 CG GLU A 44 1.019 15.109 -10.257 1.00 0.00 C ATOM 728 CD GLU A 44 -0.059 16.178 -10.442 1.00 0.00 C ATOM 729 OE1 GLU A 44 -0.169 17.035 -9.580 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.755 16.124 -11.442 1.00 0.00 O ATOM 0 H GLU A 44 2.281 12.492 -9.341 1.00 0.00 H new ATOM 0 HA GLU A 44 3.560 14.352 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.320 15.520 -8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.336 16.474 -9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.619 15.022 -11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.556 14.137 -10.087 1.00 0.00 H new ATOM 737 N GLY A 45 5.278 14.585 -8.041 1.00 0.00 N ATOM 738 CA GLY A 45 6.303 14.977 -7.034 1.00 0.00 C ATOM 739 C GLY A 45 7.361 13.876 -6.943 1.00 0.00 C ATOM 740 O GLY A 45 8.501 14.121 -6.599 1.00 0.00 O ATOM 0 H GLY A 45 5.639 14.082 -8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.767 15.922 -7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.835 15.131 -6.061 1.00 0.00 H new ATOM 744 N TYR A 46 6.988 12.662 -7.256 1.00 0.00 N ATOM 745 CA TYR A 46 7.962 11.535 -7.199 1.00 0.00 C ATOM 746 C TYR A 46 7.972 10.821 -8.554 1.00 0.00 C ATOM 747 O TYR A 46 6.953 10.690 -9.203 1.00 0.00 O ATOM 748 CB TYR A 46 7.548 10.556 -6.099 1.00 0.00 C ATOM 749 CG TYR A 46 8.619 9.505 -5.927 1.00 0.00 C ATOM 750 CD1 TYR A 46 9.792 9.810 -5.226 1.00 0.00 C ATOM 751 CD2 TYR A 46 8.440 8.225 -6.464 1.00 0.00 C ATOM 752 CE1 TYR A 46 10.785 8.838 -5.063 1.00 0.00 C ATOM 753 CE2 TYR A 46 9.433 7.251 -6.302 1.00 0.00 C ATOM 754 CZ TYR A 46 10.606 7.559 -5.602 1.00 0.00 C ATOM 755 OH TYR A 46 11.585 6.598 -5.442 1.00 0.00 O ATOM 0 H TYR A 46 6.046 12.403 -7.550 1.00 0.00 H new ATOM 0 HA TYR A 46 8.959 11.916 -6.978 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.395 11.090 -5.161 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.599 10.084 -6.356 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.930 10.797 -4.810 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.535 7.988 -7.004 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.689 9.075 -4.522 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.294 6.263 -6.716 1.00 0.00 H new ATOM 0 HH TYR A 46 11.395 6.068 -4.640 1.00 0.00 H new ATOM 765 N SER A 47 9.114 10.368 -8.991 1.00 0.00 N ATOM 766 CA SER A 47 9.182 9.677 -10.311 1.00 0.00 C ATOM 767 C SER A 47 8.380 8.375 -10.258 1.00 0.00 C ATOM 768 O SER A 47 8.136 7.825 -9.203 1.00 0.00 O ATOM 769 CB SER A 47 10.641 9.361 -10.644 1.00 0.00 C ATOM 770 OG SER A 47 11.084 8.281 -9.833 1.00 0.00 O ATOM 0 H SER A 47 10.001 10.445 -8.494 1.00 0.00 H new ATOM 0 HA SER A 47 8.762 10.327 -11.079 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.738 9.103 -11.699 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.264 10.239 -10.473 1.00 0.00 H new ATOM 0 HG SER A 47 12.018 8.075 -10.045 1.00 0.00 H new ATOM 776 N TYR A 48 7.973 7.879 -11.396 1.00 0.00 N ATOM 777 CA TYR A 48 7.189 6.611 -11.434 1.00 0.00 C ATOM 778 C TYR A 48 7.977 5.540 -12.188 1.00 0.00 C ATOM 779 O TYR A 48 8.576 5.802 -13.211 1.00 0.00 O ATOM 780 CB TYR A 48 5.860 6.847 -12.156 1.00 0.00 C ATOM 781 CG TYR A 48 4.813 7.310 -11.173 1.00 0.00 C ATOM 782 CD1 TYR A 48 4.075 6.367 -10.448 1.00 0.00 C ATOM 783 CD2 TYR A 48 4.572 8.676 -10.993 1.00 0.00 C ATOM 784 CE1 TYR A 48 3.096 6.789 -9.543 1.00 0.00 C ATOM 785 CE2 TYR A 48 3.593 9.099 -10.086 1.00 0.00 C ATOM 786 CZ TYR A 48 2.855 8.156 -9.361 1.00 0.00 C ATOM 787 OH TYR A 48 1.887 8.571 -8.469 1.00 0.00 O ATOM 0 H TYR A 48 8.152 8.301 -12.307 1.00 0.00 H new ATOM 0 HA TYR A 48 7.001 6.281 -10.412 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.990 7.593 -12.940 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.533 5.928 -12.642 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.262 5.313 -10.588 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.141 9.404 -11.553 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.526 6.061 -8.985 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.407 10.154 -9.946 1.00 0.00 H new ATOM 0 HH TYR A 48 1.638 7.824 -7.886 1.00 0.00 H new ATOM 797 N THR A 49 7.973 4.334 -11.696 1.00 0.00 N ATOM 798 CA THR A 49 8.712 3.247 -12.394 1.00 0.00 C ATOM 799 C THR A 49 7.925 2.829 -13.636 1.00 0.00 C ATOM 800 O THR A 49 6.711 2.833 -13.643 1.00 0.00 O ATOM 801 CB THR A 49 8.870 2.045 -11.461 1.00 0.00 C ATOM 802 OG1 THR A 49 9.496 2.461 -10.256 1.00 0.00 O ATOM 803 CG2 THR A 49 9.731 0.983 -12.146 1.00 0.00 C ATOM 0 H THR A 49 7.491 4.054 -10.842 1.00 0.00 H new ATOM 0 HA THR A 49 9.700 3.605 -12.684 1.00 0.00 H new ATOM 0 HB THR A 49 7.890 1.627 -11.233 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.596 1.692 -9.657 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.846 0.125 -11.484 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.250 0.666 -13.071 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.712 1.400 -12.372 1.00 0.00 H new ATOM 811 N ASP A 50 8.604 2.476 -14.689 1.00 0.00 N ATOM 812 CA ASP A 50 7.891 2.067 -15.931 1.00 0.00 C ATOM 813 C ASP A 50 6.835 1.011 -15.598 1.00 0.00 C ATOM 814 O ASP A 50 5.773 0.976 -16.184 1.00 0.00 O ATOM 815 CB ASP A 50 8.894 1.487 -16.926 1.00 0.00 C ATOM 816 CG ASP A 50 9.815 2.598 -17.432 1.00 0.00 C ATOM 817 OD1 ASP A 50 9.518 3.752 -17.170 1.00 0.00 O ATOM 818 OD2 ASP A 50 10.802 2.277 -18.073 1.00 0.00 O ATOM 0 H ASP A 50 9.622 2.453 -14.745 1.00 0.00 H new ATOM 0 HA ASP A 50 7.403 2.938 -16.369 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.482 0.702 -16.450 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.368 1.028 -17.763 1.00 0.00 H new ATOM 823 N ALA A 51 7.118 0.146 -14.665 1.00 0.00 N ATOM 824 CA ALA A 51 6.130 -0.911 -14.305 1.00 0.00 C ATOM 825 C ALA A 51 4.735 -0.298 -14.136 1.00 0.00 C ATOM 826 O ALA A 51 3.845 -0.535 -14.930 1.00 0.00 O ATOM 827 CB ALA A 51 6.554 -1.573 -12.992 1.00 0.00 C ATOM 0 H ALA A 51 7.990 0.124 -14.136 1.00 0.00 H new ATOM 0 HA ALA A 51 6.097 -1.653 -15.103 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.834 -2.347 -12.725 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.540 -2.021 -13.112 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.590 -0.823 -12.202 1.00 0.00 H new ATOM 833 N ASN A 52 4.530 0.476 -13.105 1.00 0.00 N ATOM 834 CA ASN A 52 3.184 1.085 -12.883 1.00 0.00 C ATOM 835 C ASN A 52 2.753 1.902 -14.109 1.00 0.00 C ATOM 836 O ASN A 52 1.610 1.861 -14.515 1.00 0.00 O ATOM 837 CB ASN A 52 3.231 1.999 -11.654 1.00 0.00 C ATOM 838 CG ASN A 52 1.826 2.537 -11.359 1.00 0.00 C ATOM 839 OD1 ASN A 52 0.975 1.802 -10.691 1.00 0.00 O flip ATOM 840 ND2 ASN A 52 1.501 3.645 -11.734 1.00 0.00 N flip ATOM 0 H ASN A 52 5.234 0.714 -12.407 1.00 0.00 H new ATOM 0 HA ASN A 52 2.462 0.285 -12.722 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.609 1.448 -10.793 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.919 2.826 -11.830 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.162 4.221 -12.255 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.567 4.000 -11.528 1.00 0.00 H new ATOM 847 N ILE A 53 3.646 2.647 -14.703 1.00 0.00 N ATOM 848 CA ILE A 53 3.259 3.456 -15.888 1.00 0.00 C ATOM 849 C ILE A 53 2.759 2.539 -17.008 1.00 0.00 C ATOM 850 O ILE A 53 1.708 2.756 -17.575 1.00 0.00 O ATOM 851 CB ILE A 53 4.471 4.244 -16.369 1.00 0.00 C ATOM 852 CG1 ILE A 53 4.987 5.138 -15.235 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.073 5.108 -17.560 1.00 0.00 C ATOM 854 CD1 ILE A 53 3.854 6.018 -14.693 1.00 0.00 C ATOM 0 H ILE A 53 4.622 2.729 -14.418 1.00 0.00 H new ATOM 0 HA ILE A 53 2.458 4.143 -15.614 1.00 0.00 H new ATOM 0 HB ILE A 53 5.258 3.552 -16.668 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.393 4.522 -14.433 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.801 5.765 -15.599 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.939 5.673 -17.905 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.710 4.471 -18.366 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.285 5.799 -17.261 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.235 6.647 -13.889 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.467 6.648 -15.494 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.053 5.385 -14.310 1.00 0.00 H new ATOM 866 N LYS A 54 3.499 1.511 -17.330 1.00 0.00 N ATOM 867 CA LYS A 54 3.050 0.585 -18.407 1.00 0.00 C ATOM 868 C LYS A 54 1.709 -0.033 -18.012 1.00 0.00 C ATOM 869 O LYS A 54 0.864 -0.292 -18.846 1.00 0.00 O ATOM 870 CB LYS A 54 4.091 -0.519 -18.607 1.00 0.00 C ATOM 871 CG LYS A 54 5.376 0.088 -19.177 1.00 0.00 C ATOM 872 CD LYS A 54 6.380 -1.027 -19.475 1.00 0.00 C ATOM 873 CE LYS A 54 7.702 -0.413 -19.941 1.00 0.00 C ATOM 874 NZ LYS A 54 7.979 -0.833 -21.344 1.00 0.00 N ATOM 0 H LYS A 54 4.391 1.274 -16.895 1.00 0.00 H new ATOM 0 HA LYS A 54 2.936 1.138 -19.340 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.299 -1.013 -17.658 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.704 -1.280 -19.285 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.155 0.645 -20.087 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.803 0.795 -18.466 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.542 -1.632 -18.583 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.984 -1.691 -20.243 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.652 0.674 -19.879 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.514 -0.733 -19.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.877 -0.416 -21.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.044 -1.870 -21.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.209 -0.507 -21.962 1.00 0.00 H new ATOM 888 N LYS A 55 1.511 -0.263 -16.742 1.00 0.00 N ATOM 889 CA LYS A 55 0.226 -0.857 -16.276 1.00 0.00 C ATOM 890 C LYS A 55 -0.361 0.023 -15.172 1.00 0.00 C ATOM 891 O LYS A 55 0.182 0.121 -14.091 1.00 0.00 O ATOM 892 CB LYS A 55 0.488 -2.260 -15.725 1.00 0.00 C ATOM 893 CG LYS A 55 -0.827 -2.884 -15.252 1.00 0.00 C ATOM 894 CD LYS A 55 -0.554 -4.276 -14.681 1.00 0.00 C ATOM 895 CE LYS A 55 -1.882 -4.963 -14.354 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.967 -5.204 -12.886 1.00 0.00 N ATOM 0 H LYS A 55 2.187 -0.064 -16.005 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.476 -0.919 -17.108 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.941 -2.884 -16.495 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.196 -2.210 -14.898 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.290 -2.252 -14.494 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.530 -2.951 -16.083 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.008 -4.872 -15.400 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.058 -4.199 -13.783 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.716 -4.341 -14.680 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.958 -5.907 -14.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.869 -5.671 -12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.179 -5.813 -12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.913 -4.296 -12.381 1.00 0.00 H new ATOM 910 N ASN A 56 -1.469 0.662 -15.433 1.00 0.00 N ATOM 911 CA ASN A 56 -2.083 1.533 -14.395 1.00 0.00 C ATOM 912 C ASN A 56 -3.229 0.782 -13.719 1.00 0.00 C ATOM 913 O ASN A 56 -4.004 0.102 -14.363 1.00 0.00 O ATOM 914 CB ASN A 56 -2.617 2.814 -15.034 1.00 0.00 C ATOM 915 CG ASN A 56 -2.761 3.891 -13.957 1.00 0.00 C ATOM 916 OD1 ASN A 56 -2.537 3.578 -12.708 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -3.078 5.026 -14.251 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.973 0.618 -16.318 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.328 1.795 -13.654 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.939 3.154 -15.817 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.581 2.624 -15.507 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.253 5.270 -15.226 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.169 5.735 -13.523 1.00 0.00 H new ATOM 924 N VAL A 57 -3.331 0.891 -12.426 1.00 0.00 N ATOM 925 CA VAL A 57 -4.415 0.176 -11.698 1.00 0.00 C ATOM 926 C VAL A 57 -5.108 1.134 -10.727 1.00 0.00 C ATOM 927 O VAL A 57 -4.497 2.027 -10.176 1.00 0.00 O ATOM 928 CB VAL A 57 -3.802 -0.985 -10.915 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.835 -0.429 -9.869 1.00 0.00 C ATOM 930 CG2 VAL A 57 -4.912 -1.777 -10.219 1.00 0.00 C ATOM 0 H VAL A 57 -2.709 1.446 -11.839 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.148 -0.200 -12.411 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.265 -1.644 -11.597 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.394 -1.252 -9.307 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.046 0.134 -10.366 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.375 0.228 -9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.474 -2.604 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.451 -1.123 -9.534 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.603 -2.169 -10.966 1.00 0.00 H new ATOM 940 N LEU A 58 -6.380 0.945 -10.505 1.00 0.00 N ATOM 941 CA LEU A 58 -7.115 1.834 -9.563 1.00 0.00 C ATOM 942 C LEU A 58 -6.810 1.395 -8.132 1.00 0.00 C ATOM 943 O LEU A 58 -6.838 0.223 -7.815 1.00 0.00 O ATOM 944 CB LEU A 58 -8.621 1.723 -9.824 1.00 0.00 C ATOM 945 CG LEU A 58 -9.388 2.609 -8.838 1.00 0.00 C ATOM 946 CD1 LEU A 58 -9.029 4.075 -9.074 1.00 0.00 C ATOM 947 CD2 LEU A 58 -10.891 2.414 -9.046 1.00 0.00 C ATOM 0 H LEU A 58 -6.942 0.212 -10.937 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.802 2.868 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.845 2.025 -10.847 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.941 0.686 -9.720 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.119 2.332 -7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.577 4.702 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.958 4.216 -8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.295 4.355 -10.093 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.440 3.043 -8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.156 2.690 -10.067 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.150 1.369 -8.874 1.00 0.00 H new ATOM 959 N TRP A 59 -6.516 2.322 -7.264 1.00 0.00 N ATOM 960 CA TRP A 59 -6.206 1.941 -5.861 1.00 0.00 C ATOM 961 C TRP A 59 -7.460 2.052 -4.999 1.00 0.00 C ATOM 962 O TRP A 59 -8.099 3.085 -4.932 1.00 0.00 O ATOM 963 CB TRP A 59 -5.114 2.857 -5.308 1.00 0.00 C ATOM 964 CG TRP A 59 -3.822 2.519 -5.971 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.205 3.276 -6.903 1.00 0.00 C ATOM 966 CD2 TRP A 59 -2.983 1.347 -5.774 1.00 0.00 C ATOM 967 NE1 TRP A 59 -2.041 2.638 -7.297 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.861 1.446 -6.628 1.00 0.00 C ATOM 969 CE3 TRP A 59 -3.088 0.218 -4.943 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -0.877 0.458 -6.660 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -2.099 -0.777 -4.971 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.996 -0.658 -5.829 1.00 0.00 C ATOM 0 H TRP A 59 -6.477 3.321 -7.465 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.855 0.909 -5.842 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.369 3.901 -5.489 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -5.028 2.733 -4.229 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.561 4.224 -7.279 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.396 3.005 -7.997 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.934 0.116 -4.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.030 0.555 -7.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.188 -1.640 -4.328 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.239 -1.429 -5.847 1.00 0.00 H new ATOM 983 N ASP A 60 -7.798 0.983 -4.335 1.00 0.00 N ATOM 984 CA ASP A 60 -8.995 0.971 -3.452 1.00 0.00 C ATOM 985 C ASP A 60 -8.804 -0.113 -2.384 1.00 0.00 C ATOM 986 O ASP A 60 -7.763 -0.731 -2.302 1.00 0.00 O ATOM 987 CB ASP A 60 -10.248 0.681 -4.282 1.00 0.00 C ATOM 988 CG ASP A 60 -10.068 -0.635 -5.034 1.00 0.00 C ATOM 989 OD1 ASP A 60 -9.068 -1.291 -4.803 1.00 0.00 O ATOM 990 OD2 ASP A 60 -10.932 -0.964 -5.829 1.00 0.00 O ATOM 0 H ASP A 60 -7.285 0.102 -4.368 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.116 1.942 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.122 0.625 -3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.426 1.493 -4.987 1.00 0.00 H new ATOM 995 N GLU A 61 -9.782 -0.336 -1.554 1.00 0.00 N ATOM 996 CA GLU A 61 -9.627 -1.364 -0.481 1.00 0.00 C ATOM 997 C GLU A 61 -9.382 -2.756 -1.083 1.00 0.00 C ATOM 998 O GLU A 61 -8.597 -3.529 -0.568 1.00 0.00 O ATOM 999 CB GLU A 61 -10.903 -1.405 0.361 1.00 0.00 C ATOM 1000 CG GLU A 61 -11.094 -0.062 1.066 1.00 0.00 C ATOM 1001 CD GLU A 61 -12.335 -0.128 1.956 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -13.050 -1.113 1.870 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -12.551 0.806 2.709 1.00 0.00 O ATOM 0 H GLU A 61 -10.681 0.146 -1.569 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.769 -1.094 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.763 -1.620 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.840 -2.208 1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.215 0.175 1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.202 0.735 0.331 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.049 -3.093 -2.151 1.00 0.00 N ATOM 1011 CA ASN A 62 -9.854 -4.446 -2.751 1.00 0.00 C ATOM 1012 C ASN A 62 -8.518 -4.521 -3.496 1.00 0.00 C ATOM 1013 O ASN A 62 -7.768 -5.465 -3.349 1.00 0.00 O ATOM 1014 CB ASN A 62 -10.992 -4.731 -3.732 1.00 0.00 C ATOM 1015 CG ASN A 62 -10.569 -4.308 -5.138 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -10.317 -3.147 -5.385 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -10.473 -5.208 -6.077 1.00 0.00 N ATOM 0 H ASN A 62 -10.719 -2.494 -2.634 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.851 -5.186 -1.951 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.241 -5.792 -3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.889 -4.190 -3.432 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.186 -4.935 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.684 -6.184 -5.871 1.00 0.00 H new ATOM 1024 N ASN A 63 -8.223 -3.545 -4.307 1.00 0.00 N ATOM 1025 CA ASN A 63 -6.947 -3.572 -5.078 1.00 0.00 C ATOM 1026 C ASN A 63 -5.749 -3.654 -4.129 1.00 0.00 C ATOM 1027 O ASN A 63 -4.804 -4.378 -4.375 1.00 0.00 O ATOM 1028 CB ASN A 63 -6.842 -2.304 -5.924 1.00 0.00 C ATOM 1029 CG ASN A 63 -5.674 -2.438 -6.903 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -5.316 -3.532 -7.293 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -5.057 -1.364 -7.313 1.00 0.00 N ATOM 0 H ASN A 63 -8.811 -2.728 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.942 -4.451 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.771 -2.141 -6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.694 -1.436 -5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.273 -1.442 -7.961 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.358 -0.446 -6.985 1.00 0.00 H new ATOM 1038 N MET A 64 -5.769 -2.917 -3.055 1.00 0.00 N ATOM 1039 CA MET A 64 -4.618 -2.962 -2.110 1.00 0.00 C ATOM 1040 C MET A 64 -4.475 -4.370 -1.532 1.00 0.00 C ATOM 1041 O MET A 64 -3.380 -4.862 -1.346 1.00 0.00 O ATOM 1042 CB MET A 64 -4.837 -1.957 -0.979 1.00 0.00 C ATOM 1043 CG MET A 64 -4.709 -0.541 -1.539 1.00 0.00 C ATOM 1044 SD MET A 64 -4.788 0.662 -0.192 1.00 0.00 S ATOM 1045 CE MET A 64 -4.585 2.139 -1.218 1.00 0.00 C ATOM 0 H MET A 64 -6.528 -2.288 -2.791 1.00 0.00 H new ATOM 0 HA MET A 64 -3.705 -2.703 -2.647 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.823 -2.099 -0.535 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.105 -2.116 -0.187 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.767 -0.437 -2.077 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.508 -0.350 -2.256 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.372 2.998 -0.581 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.759 1.989 -1.913 1.00 0.00 H new ATOM 0 HE3 MET A 64 -5.502 2.321 -1.778 1.00 0.00 H new ATOM 1055 N SER A 65 -5.565 -5.025 -1.247 1.00 0.00 N ATOM 1056 CA SER A 65 -5.464 -6.401 -0.683 1.00 0.00 C ATOM 1057 C SER A 65 -4.786 -7.317 -1.705 1.00 0.00 C ATOM 1058 O SER A 65 -3.958 -8.137 -1.364 1.00 0.00 O ATOM 1059 CB SER A 65 -6.867 -6.930 -0.376 1.00 0.00 C ATOM 1060 OG SER A 65 -7.562 -7.156 -1.596 1.00 0.00 O ATOM 0 H SER A 65 -6.513 -4.672 -1.378 1.00 0.00 H new ATOM 0 HA SER A 65 -4.876 -6.378 0.235 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.802 -7.856 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.412 -6.213 0.239 1.00 0.00 H new ATOM 0 HG SER A 65 -7.758 -6.297 -2.025 1.00 0.00 H new ATOM 1066 N GLU A 66 -5.121 -7.176 -2.959 1.00 0.00 N ATOM 1067 CA GLU A 66 -4.491 -8.029 -4.002 1.00 0.00 C ATOM 1068 C GLU A 66 -3.025 -7.622 -4.169 1.00 0.00 C ATOM 1069 O GLU A 66 -2.165 -8.440 -4.427 1.00 0.00 O ATOM 1070 CB GLU A 66 -5.231 -7.831 -5.324 1.00 0.00 C ATOM 1071 CG GLU A 66 -6.665 -8.346 -5.192 1.00 0.00 C ATOM 1072 CD GLU A 66 -6.649 -9.849 -4.910 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -5.629 -10.468 -5.165 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -7.657 -10.355 -4.445 1.00 0.00 O ATOM 0 H GLU A 66 -5.806 -6.504 -3.305 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.545 -9.077 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.237 -6.775 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.715 -8.362 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.178 -7.821 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.220 -8.144 -6.108 1.00 0.00 H new ATOM 1081 N HIS A 67 -2.743 -6.358 -4.026 1.00 0.00 N ATOM 1082 CA HIS A 67 -1.342 -5.873 -4.180 1.00 0.00 C ATOM 1083 C HIS A 67 -0.439 -6.599 -3.183 1.00 0.00 C ATOM 1084 O HIS A 67 0.648 -7.030 -3.510 1.00 0.00 O ATOM 1085 CB HIS A 67 -1.314 -4.370 -3.903 1.00 0.00 C ATOM 1086 CG HIS A 67 0.037 -3.804 -4.242 1.00 0.00 C ATOM 1087 ND1 HIS A 67 0.527 -3.791 -5.540 1.00 0.00 N ATOM 1088 CD2 HIS A 67 1.009 -3.213 -3.471 1.00 0.00 C ATOM 1089 CE1 HIS A 67 1.740 -3.211 -5.511 1.00 0.00 C ATOM 1090 NE2 HIS A 67 2.078 -2.841 -4.276 1.00 0.00 N ATOM 0 H HIS A 67 -3.427 -5.634 -3.807 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.985 -6.070 -5.191 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.084 -3.870 -4.491 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.542 -4.182 -2.854 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.053 -4.155 -6.366 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.951 -3.061 -2.403 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.363 -3.063 -6.381 1.00 0.00 H new ATOM 1099 N LEU A 68 -0.884 -6.730 -1.966 1.00 0.00 N ATOM 1100 CA LEU A 68 -0.067 -7.421 -0.930 1.00 0.00 C ATOM 1101 C LEU A 68 0.062 -8.912 -1.252 1.00 0.00 C ATOM 1102 O LEU A 68 1.054 -9.538 -0.937 1.00 0.00 O ATOM 1103 CB LEU A 68 -0.753 -7.258 0.425 1.00 0.00 C ATOM 1104 CG LEU A 68 -0.843 -5.777 0.786 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -1.605 -5.619 2.102 1.00 0.00 C ATOM 1106 CD2 LEU A 68 0.565 -5.207 0.945 1.00 0.00 C ATOM 0 H LEU A 68 -1.787 -6.385 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 68 0.930 -6.981 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.751 -7.695 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.195 -7.795 1.192 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.367 -5.241 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.670 -4.562 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.609 -6.028 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.080 -6.154 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.503 -4.150 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.087 -5.743 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.111 -5.321 0.009 1.00 0.00 H new ATOM 1118 N THR A 69 -0.937 -9.494 -1.852 1.00 0.00 N ATOM 1119 CA THR A 69 -0.873 -10.953 -2.163 1.00 0.00 C ATOM 1120 C THR A 69 0.373 -11.271 -2.995 1.00 0.00 C ATOM 1121 O THR A 69 0.992 -12.303 -2.824 1.00 0.00 O ATOM 1122 CB THR A 69 -2.124 -11.366 -2.941 1.00 0.00 C ATOM 1123 OG1 THR A 69 -3.281 -10.933 -2.238 1.00 0.00 O ATOM 1124 CG2 THR A 69 -2.153 -12.887 -3.084 1.00 0.00 C ATOM 0 H THR A 69 -1.796 -9.025 -2.141 1.00 0.00 H new ATOM 0 HA THR A 69 -0.821 -11.508 -1.226 1.00 0.00 H new ATOM 0 HB THR A 69 -2.107 -10.908 -3.930 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.083 -11.195 -2.736 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.044 -13.183 -3.638 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.264 -13.219 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.172 -13.345 -2.095 1.00 0.00 H new ATOM 1132 N ASN A 70 0.747 -10.406 -3.896 1.00 0.00 N ATOM 1133 CA ASN A 70 1.950 -10.681 -4.732 1.00 0.00 C ATOM 1134 C ASN A 70 2.355 -9.406 -5.477 1.00 0.00 C ATOM 1135 O ASN A 70 2.234 -9.314 -6.682 1.00 0.00 O ATOM 1136 CB ASN A 70 1.628 -11.784 -5.743 1.00 0.00 C ATOM 1137 CG ASN A 70 0.301 -11.468 -6.438 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -0.620 -10.977 -5.817 1.00 0.00 O ATOM 1139 ND2 ASN A 70 0.166 -11.732 -7.708 1.00 0.00 N ATOM 0 H ASN A 70 0.274 -9.523 -4.090 1.00 0.00 H new ATOM 0 HA ASN A 70 2.771 -11.004 -4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.427 -11.861 -6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.566 -12.748 -5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.714 -11.526 -8.181 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.940 -12.144 -8.228 1.00 0.00 H new ATOM 1146 N PRO A 71 2.833 -8.437 -4.752 1.00 0.00 N ATOM 1147 CA PRO A 71 3.274 -7.135 -5.328 1.00 0.00 C ATOM 1148 C PRO A 71 4.228 -7.308 -6.515 1.00 0.00 C ATOM 1149 O PRO A 71 4.300 -6.466 -7.389 1.00 0.00 O ATOM 1150 CB PRO A 71 3.997 -6.444 -4.171 1.00 0.00 C ATOM 1151 CG PRO A 71 3.482 -7.083 -2.921 1.00 0.00 C ATOM 1152 CD PRO A 71 2.995 -8.484 -3.296 1.00 0.00 C ATOM 0 HA PRO A 71 2.428 -6.569 -5.718 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.077 -6.568 -4.256 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.798 -5.372 -4.171 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.266 -7.138 -2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.669 -6.495 -2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.715 -9.247 -3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.055 -8.724 -2.799 1.00 0.00 H new ATOM 1160 N ALA A 72 4.963 -8.387 -6.557 1.00 0.00 N ATOM 1161 CA ALA A 72 5.907 -8.594 -7.693 1.00 0.00 C ATOM 1162 C ALA A 72 5.113 -8.717 -8.995 1.00 0.00 C ATOM 1163 O ALA A 72 5.294 -7.950 -9.920 1.00 0.00 O ATOM 1164 CB ALA A 72 6.712 -9.876 -7.461 1.00 0.00 C ATOM 0 H ALA A 72 4.951 -9.130 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 72 6.589 -7.746 -7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.402 -10.028 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.275 -9.789 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.032 -10.725 -7.395 1.00 0.00 H new ATOM 1170 N LYS A 73 4.225 -9.670 -9.069 1.00 0.00 N ATOM 1171 CA LYS A 73 3.406 -9.835 -10.303 1.00 0.00 C ATOM 1172 C LYS A 73 2.569 -8.572 -10.513 1.00 0.00 C ATOM 1173 O LYS A 73 2.187 -8.239 -11.618 1.00 0.00 O ATOM 1174 CB LYS A 73 2.480 -11.042 -10.144 1.00 0.00 C ATOM 1175 CG LYS A 73 3.319 -12.317 -10.026 1.00 0.00 C ATOM 1176 CD LYS A 73 2.394 -13.535 -9.981 1.00 0.00 C ATOM 1177 CE LYS A 73 3.223 -14.798 -9.741 1.00 0.00 C ATOM 1178 NZ LYS A 73 2.536 -15.967 -10.356 1.00 0.00 N ATOM 0 H LYS A 73 4.031 -10.343 -8.327 1.00 0.00 H new ATOM 0 HA LYS A 73 4.058 -9.994 -11.162 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.856 -10.921 -9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.808 -11.114 -10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.001 -12.396 -10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.932 -12.279 -9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.656 -13.415 -9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.843 -13.621 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.218 -14.680 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.355 -14.961 -8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.099 -16.826 -10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.596 -16.083 -9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.432 -15.810 -11.379 1.00 0.00 H new ATOM 1192 N TYR A 74 2.268 -7.882 -9.449 1.00 0.00 N ATOM 1193 CA TYR A 74 1.442 -6.646 -9.551 1.00 0.00 C ATOM 1194 C TYR A 74 2.145 -5.629 -10.462 1.00 0.00 C ATOM 1195 O TYR A 74 1.579 -5.161 -11.430 1.00 0.00 O ATOM 1196 CB TYR A 74 1.286 -6.071 -8.143 1.00 0.00 C ATOM 1197 CG TYR A 74 0.180 -5.044 -8.096 1.00 0.00 C ATOM 1198 CD1 TYR A 74 -1.137 -5.444 -7.841 1.00 0.00 C ATOM 1199 CD2 TYR A 74 0.475 -3.689 -8.266 1.00 0.00 C ATOM 1200 CE1 TYR A 74 -2.156 -4.487 -7.763 1.00 0.00 C ATOM 1201 CE2 TYR A 74 -0.537 -2.734 -8.182 1.00 0.00 C ATOM 1202 CZ TYR A 74 -1.853 -3.131 -7.931 1.00 0.00 C ATOM 1203 OH TYR A 74 -2.844 -2.181 -7.837 1.00 0.00 O ATOM 0 H TYR A 74 2.562 -8.124 -8.503 1.00 0.00 H new ATOM 0 HA TYR A 74 0.464 -6.870 -9.977 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.070 -6.875 -7.440 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.224 -5.615 -7.827 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.367 -6.490 -7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.491 -3.380 -8.463 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.174 -4.795 -7.574 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.304 -1.687 -8.311 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.606 -1.527 -7.147 1.00 0.00 H new ATOM 1213 N ILE A 75 3.379 -5.290 -10.169 1.00 0.00 N ATOM 1214 CA ILE A 75 4.114 -4.309 -11.031 1.00 0.00 C ATOM 1215 C ILE A 75 5.570 -4.752 -11.203 1.00 0.00 C ATOM 1216 O ILE A 75 6.481 -4.138 -10.684 1.00 0.00 O ATOM 1217 CB ILE A 75 4.101 -2.925 -10.383 1.00 0.00 C ATOM 1218 CG1 ILE A 75 4.460 -3.056 -8.899 1.00 0.00 C ATOM 1219 CG2 ILE A 75 2.715 -2.290 -10.529 1.00 0.00 C ATOM 1220 CD1 ILE A 75 4.636 -1.663 -8.300 1.00 0.00 C ATOM 0 H ILE A 75 3.907 -5.649 -9.373 1.00 0.00 H new ATOM 0 HA ILE A 75 3.620 -4.267 -12.002 1.00 0.00 H new ATOM 0 HB ILE A 75 4.833 -2.288 -10.879 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.675 -3.596 -8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 75 5.378 -3.633 -8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.716 -1.304 -10.064 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.469 -2.192 -11.586 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.972 -2.921 -10.040 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.892 -1.751 -7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.435 -1.140 -8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.707 -1.103 -8.403 1.00 0.00 H new ATOM 1232 N PRO A 76 5.789 -5.804 -11.928 1.00 0.00 N ATOM 1233 CA PRO A 76 7.158 -6.335 -12.171 1.00 0.00 C ATOM 1234 C PRO A 76 8.106 -5.256 -12.705 1.00 0.00 C ATOM 1235 O PRO A 76 7.760 -4.493 -13.587 1.00 0.00 O ATOM 1236 CB PRO A 76 6.949 -7.428 -13.223 1.00 0.00 C ATOM 1237 CG PRO A 76 5.513 -7.824 -13.113 1.00 0.00 C ATOM 1238 CD PRO A 76 4.756 -6.602 -12.593 1.00 0.00 C ATOM 0 HA PRO A 76 7.619 -6.700 -11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.178 -7.059 -14.223 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.605 -8.279 -13.040 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.123 -8.137 -14.082 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.396 -8.669 -12.434 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.285 -6.049 -13.405 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.964 -6.887 -11.900 1.00 0.00 H new ATOM 1246 N GLY A 77 9.300 -5.191 -12.185 1.00 0.00 N ATOM 1247 CA GLY A 77 10.271 -4.172 -12.670 1.00 0.00 C ATOM 1248 C GLY A 77 10.319 -2.969 -11.721 1.00 0.00 C ATOM 1249 O GLY A 77 11.065 -2.035 -11.940 1.00 0.00 O ATOM 0 H GLY A 77 9.645 -5.801 -11.444 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.263 -4.617 -12.750 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.989 -3.841 -13.669 1.00 0.00 H new ATOM 1253 N THR A 78 9.543 -2.970 -10.668 1.00 0.00 N ATOM 1254 CA THR A 78 9.583 -1.805 -9.733 1.00 0.00 C ATOM 1255 C THR A 78 10.648 -2.044 -8.659 1.00 0.00 C ATOM 1256 O THR A 78 11.084 -3.157 -8.437 1.00 0.00 O ATOM 1257 CB THR A 78 8.204 -1.597 -9.084 1.00 0.00 C ATOM 1258 OG1 THR A 78 8.175 -0.326 -8.450 1.00 0.00 O ATOM 1259 CG2 THR A 78 7.915 -2.686 -8.045 1.00 0.00 C ATOM 0 H THR A 78 8.893 -3.715 -10.417 1.00 0.00 H new ATOM 0 HA THR A 78 9.839 -0.905 -10.292 1.00 0.00 H new ATOM 0 HB THR A 78 7.442 -1.651 -9.862 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.365 -0.251 -7.904 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.934 -2.515 -7.602 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.929 -3.663 -8.528 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.676 -2.656 -7.265 1.00 0.00 H new ATOM 1267 N LYS A 79 11.080 -1.003 -7.999 1.00 0.00 N ATOM 1268 CA LYS A 79 12.126 -1.159 -6.949 1.00 0.00 C ATOM 1269 C LYS A 79 11.475 -1.523 -5.612 1.00 0.00 C ATOM 1270 O LYS A 79 12.143 -1.669 -4.607 1.00 0.00 O ATOM 1271 CB LYS A 79 12.891 0.158 -6.800 1.00 0.00 C ATOM 1272 CG LYS A 79 13.585 0.496 -8.121 1.00 0.00 C ATOM 1273 CD LYS A 79 14.490 1.716 -7.926 1.00 0.00 C ATOM 1274 CE LYS A 79 13.633 2.942 -7.599 1.00 0.00 C ATOM 1275 NZ LYS A 79 14.323 4.171 -8.083 1.00 0.00 N ATOM 0 H LYS A 79 10.752 -0.048 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 79 12.812 -1.955 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.207 0.959 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 79 13.627 0.075 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.173 -0.355 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.842 0.701 -8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.200 1.530 -7.120 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.073 1.897 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.654 2.852 -8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.465 3.006 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.742 5.005 -7.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.247 4.258 -7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.462 4.109 -9.112 1.00 0.00 H new ATOM 1289 N MET A 80 10.180 -1.666 -5.587 1.00 0.00 N ATOM 1290 CA MET A 80 9.496 -2.016 -4.310 1.00 0.00 C ATOM 1291 C MET A 80 9.668 -3.507 -4.016 1.00 0.00 C ATOM 1292 O MET A 80 9.341 -4.352 -4.825 1.00 0.00 O ATOM 1293 CB MET A 80 8.005 -1.693 -4.419 1.00 0.00 C ATOM 1294 CG MET A 80 7.291 -2.171 -3.153 1.00 0.00 C ATOM 1295 SD MET A 80 5.668 -1.375 -3.016 1.00 0.00 S ATOM 1296 CE MET A 80 5.172 -1.529 -4.749 1.00 0.00 C ATOM 0 H MET A 80 9.566 -1.556 -6.394 1.00 0.00 H new ATOM 0 HA MET A 80 9.939 -1.435 -3.501 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.862 -0.620 -4.548 1.00 0.00 H new ATOM 0 HB3 MET A 80 7.579 -2.179 -5.296 1.00 0.00 H new ATOM 0 HG2 MET A 80 7.172 -3.254 -3.180 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.894 -1.938 -2.276 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.121 -1.258 -4.852 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.780 -0.864 -5.362 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.315 -2.558 -5.078 1.00 0.00 H new ATOM 1306 N ALA A 81 10.174 -3.832 -2.854 1.00 0.00 N ATOM 1307 CA ALA A 81 10.362 -5.263 -2.486 1.00 0.00 C ATOM 1308 C ALA A 81 9.552 -5.563 -1.226 1.00 0.00 C ATOM 1309 O ALA A 81 10.075 -5.612 -0.132 1.00 0.00 O ATOM 1310 CB ALA A 81 11.839 -5.535 -2.214 1.00 0.00 C ATOM 0 H ALA A 81 10.466 -3.162 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 81 10.025 -5.898 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.972 -6.583 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.421 -5.313 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.180 -4.904 -1.394 1.00 0.00 H new ATOM 1316 N PHE A 82 8.274 -5.754 -1.377 1.00 0.00 N ATOM 1317 CA PHE A 82 7.411 -6.042 -0.196 1.00 0.00 C ATOM 1318 C PHE A 82 7.075 -7.534 -0.155 1.00 0.00 C ATOM 1319 O PHE A 82 6.672 -8.117 -1.140 1.00 0.00 O ATOM 1320 CB PHE A 82 6.120 -5.230 -0.315 1.00 0.00 C ATOM 1321 CG PHE A 82 5.272 -5.433 0.918 1.00 0.00 C ATOM 1322 CD1 PHE A 82 5.441 -4.600 2.031 1.00 0.00 C ATOM 1323 CD2 PHE A 82 4.311 -6.451 0.944 1.00 0.00 C ATOM 1324 CE1 PHE A 82 4.646 -4.785 3.169 1.00 0.00 C ATOM 1325 CE2 PHE A 82 3.519 -6.636 2.083 1.00 0.00 C ATOM 1326 CZ PHE A 82 3.686 -5.804 3.195 1.00 0.00 C ATOM 0 H PHE A 82 7.785 -5.723 -2.272 1.00 0.00 H new ATOM 0 HA PHE A 82 7.937 -5.769 0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.355 -4.172 -0.436 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.567 -5.537 -1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.183 -3.816 2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.181 -7.093 0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.773 -4.141 4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.778 -7.422 2.103 1.00 0.00 H new ATOM 0 HZ PHE A 82 3.075 -5.948 4.074 1.00 0.00 H new ATOM 1336 N GLY A 83 7.235 -8.156 0.982 1.00 0.00 N ATOM 1337 CA GLY A 83 6.920 -9.608 1.087 1.00 0.00 C ATOM 1338 C GLY A 83 5.404 -9.804 1.022 1.00 0.00 C ATOM 1339 O GLY A 83 4.645 -8.993 1.513 1.00 0.00 O ATOM 0 H GLY A 83 7.570 -7.721 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.404 -10.156 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.310 -10.010 2.022 1.00 0.00 H new ATOM 1343 N GLY A 84 4.958 -10.872 0.421 1.00 0.00 N ATOM 1344 CA GLY A 84 3.489 -11.112 0.327 1.00 0.00 C ATOM 1345 C GLY A 84 2.961 -11.603 1.676 1.00 0.00 C ATOM 1346 O GLY A 84 3.648 -12.283 2.412 1.00 0.00 O ATOM 0 H GLY A 84 5.544 -11.588 -0.008 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.978 -10.194 0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.280 -11.850 -0.447 1.00 0.00 H new ATOM 1350 N LEU A 85 1.743 -11.266 2.007 1.00 0.00 N ATOM 1351 CA LEU A 85 1.173 -11.718 3.308 1.00 0.00 C ATOM 1352 C LEU A 85 0.325 -12.971 3.082 1.00 0.00 C ATOM 1353 O LEU A 85 -0.483 -13.030 2.177 1.00 0.00 O ATOM 1354 CB LEU A 85 0.293 -10.610 3.892 1.00 0.00 C ATOM 1355 CG LEU A 85 1.099 -9.315 3.995 1.00 0.00 C ATOM 1356 CD1 LEU A 85 0.249 -8.238 4.670 1.00 0.00 C ATOM 1357 CD2 LEU A 85 2.360 -9.565 4.825 1.00 0.00 C ATOM 0 H LEU A 85 1.120 -10.698 1.433 1.00 0.00 H new ATOM 0 HA LEU A 85 1.983 -11.944 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.582 -10.456 3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.072 -10.902 4.877 1.00 0.00 H new ATOM 0 HG LEU A 85 1.381 -8.981 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.823 -7.314 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.650 -8.060 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.033 -8.570 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.936 -8.642 4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.078 -9.898 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.966 -10.333 4.344 1.00 0.00 H new ATOM 1369 N LYS A 86 0.503 -13.976 3.894 1.00 0.00 N ATOM 1370 CA LYS A 86 -0.294 -15.223 3.718 1.00 0.00 C ATOM 1371 C LYS A 86 -1.539 -15.177 4.609 1.00 0.00 C ATOM 1372 O LYS A 86 -2.414 -16.013 4.506 1.00 0.00 O ATOM 1373 CB LYS A 86 0.562 -16.427 4.109 1.00 0.00 C ATOM 1374 CG LYS A 86 1.789 -16.500 3.199 1.00 0.00 C ATOM 1375 CD LYS A 86 2.531 -17.818 3.438 1.00 0.00 C ATOM 1376 CE LYS A 86 3.065 -17.858 4.872 1.00 0.00 C ATOM 1377 NZ LYS A 86 3.657 -16.536 5.223 1.00 0.00 N ATOM 0 H LYS A 86 1.164 -13.988 4.670 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.602 -15.309 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.873 -16.342 5.150 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.021 -17.344 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.484 -16.427 2.155 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.451 -15.657 3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.861 -18.660 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.354 -17.916 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.259 -18.102 5.564 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.817 -18.641 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.317 -16.651 6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.169 -16.156 4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.899 -15.877 5.494 1.00 0.00 H new ATOM 1391 N LYS A 87 -1.630 -14.212 5.485 1.00 0.00 N ATOM 1392 CA LYS A 87 -2.822 -14.132 6.376 1.00 0.00 C ATOM 1393 C LYS A 87 -3.816 -13.106 5.830 1.00 0.00 C ATOM 1394 O LYS A 87 -3.470 -11.978 5.544 1.00 0.00 O ATOM 1395 CB LYS A 87 -2.389 -13.718 7.781 1.00 0.00 C ATOM 1396 CG LYS A 87 -1.518 -14.814 8.392 1.00 0.00 C ATOM 1397 CD LYS A 87 -1.239 -14.479 9.855 1.00 0.00 C ATOM 1398 CE LYS A 87 -0.271 -15.508 10.441 1.00 0.00 C ATOM 1399 NZ LYS A 87 -0.376 -16.783 9.675 1.00 0.00 N ATOM 0 H LYS A 87 -0.934 -13.479 5.621 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.300 -15.111 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.836 -12.780 7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.265 -13.545 8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.021 -15.778 8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.581 -14.899 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.814 -13.478 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.170 -14.476 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.750 -15.128 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.502 -15.683 11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.164 -17.526 10.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.374 -17.067 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.009 -16.646 8.719 1.00 0.00 H new ATOM 1413 N GLU A 88 -5.051 -13.497 5.686 1.00 0.00 N ATOM 1414 CA GLU A 88 -6.078 -12.554 5.162 1.00 0.00 C ATOM 1415 C GLU A 88 -6.501 -11.572 6.260 1.00 0.00 C ATOM 1416 O GLU A 88 -6.733 -10.406 6.006 1.00 0.00 O ATOM 1417 CB GLU A 88 -7.302 -13.346 4.693 1.00 0.00 C ATOM 1418 CG GLU A 88 -6.913 -14.232 3.509 1.00 0.00 C ATOM 1419 CD GLU A 88 -8.150 -14.976 3.000 1.00 0.00 C ATOM 1420 OE1 GLU A 88 -9.171 -14.910 3.664 1.00 0.00 O ATOM 1421 OE2 GLU A 88 -8.054 -15.599 1.956 1.00 0.00 O ATOM 0 H GLU A 88 -5.394 -14.431 5.909 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.655 -11.996 4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.686 -13.959 5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.101 -12.663 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.487 -13.624 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.146 -14.945 3.811 1.00 0.00 H new ATOM 1428 N LYS A 89 -6.618 -12.034 7.477 1.00 0.00 N ATOM 1429 CA LYS A 89 -7.043 -11.126 8.582 1.00 0.00 C ATOM 1430 C LYS A 89 -6.039 -9.984 8.743 1.00 0.00 C ATOM 1431 O LYS A 89 -6.405 -8.826 8.792 1.00 0.00 O ATOM 1432 CB LYS A 89 -7.120 -11.920 9.887 1.00 0.00 C ATOM 1433 CG LYS A 89 -8.209 -12.989 9.772 1.00 0.00 C ATOM 1434 CD LYS A 89 -8.361 -13.710 11.113 1.00 0.00 C ATOM 1435 CE LYS A 89 -9.361 -14.859 10.965 1.00 0.00 C ATOM 1436 NZ LYS A 89 -8.643 -16.159 11.089 1.00 0.00 N ATOM 0 H LYS A 89 -6.438 -12.999 7.753 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.021 -10.708 8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.158 -12.387 10.098 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.339 -11.251 10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.155 -12.530 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.951 -13.703 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.396 -14.094 11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.704 -13.012 11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.134 -14.784 11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.861 -14.798 9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.321 -16.941 10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.921 -16.229 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.185 -16.215 12.021 1.00 0.00 H new ATOM 1450 N ASP A 90 -4.773 -10.295 8.820 1.00 0.00 N ATOM 1451 CA ASP A 90 -3.754 -9.223 8.972 1.00 0.00 C ATOM 1452 C ASP A 90 -3.767 -8.329 7.732 1.00 0.00 C ATOM 1453 O ASP A 90 -3.596 -7.130 7.811 1.00 0.00 O ATOM 1454 CB ASP A 90 -2.373 -9.862 9.131 1.00 0.00 C ATOM 1455 CG ASP A 90 -2.310 -10.623 10.456 1.00 0.00 C ATOM 1456 OD1 ASP A 90 -3.202 -10.435 11.267 1.00 0.00 O ATOM 1457 OD2 ASP A 90 -1.373 -11.381 10.637 1.00 0.00 O ATOM 0 H ASP A 90 -4.403 -11.245 8.784 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.981 -8.621 9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.177 -10.540 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.600 -9.094 9.104 1.00 0.00 H new ATOM 1462 N ARG A 91 -3.965 -8.915 6.586 1.00 0.00 N ATOM 1463 CA ARG A 91 -3.987 -8.120 5.326 1.00 0.00 C ATOM 1464 C ARG A 91 -5.061 -7.033 5.415 1.00 0.00 C ATOM 1465 O ARG A 91 -4.837 -5.894 5.056 1.00 0.00 O ATOM 1466 CB ARG A 91 -4.320 -9.059 4.166 1.00 0.00 C ATOM 1467 CG ARG A 91 -4.172 -8.323 2.837 1.00 0.00 C ATOM 1468 CD ARG A 91 -4.813 -9.156 1.725 1.00 0.00 C ATOM 1469 NE ARG A 91 -4.328 -10.564 1.810 1.00 0.00 N ATOM 1470 CZ ARG A 91 -3.087 -10.850 1.530 1.00 0.00 C ATOM 1471 NH1 ARG A 91 -2.264 -9.900 1.188 1.00 0.00 N ATOM 1472 NH2 ARG A 91 -2.669 -12.084 1.597 1.00 0.00 N ATOM 0 H ARG A 91 -4.114 -9.917 6.466 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.016 -7.650 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.658 -9.925 4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.338 -9.434 4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.648 -7.344 2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.118 -8.152 2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.899 -9.129 1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.565 -8.734 0.751 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.970 -11.306 2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.591 -8.935 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.293 -10.121 0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.313 -12.827 1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.698 -12.306 1.378 1.00 0.00 H new ATOM 1486 N ASN A 92 -6.230 -7.378 5.881 1.00 0.00 N ATOM 1487 CA ASN A 92 -7.321 -6.368 5.984 1.00 0.00 C ATOM 1488 C ASN A 92 -6.920 -5.258 6.957 1.00 0.00 C ATOM 1489 O ASN A 92 -7.194 -4.095 6.731 1.00 0.00 O ATOM 1490 CB ASN A 92 -8.596 -7.048 6.486 1.00 0.00 C ATOM 1491 CG ASN A 92 -9.785 -6.103 6.299 1.00 0.00 C ATOM 1492 OD1 ASN A 92 -9.625 -4.990 5.838 1.00 0.00 O ATOM 1493 ND2 ASN A 92 -10.980 -6.503 6.639 1.00 0.00 N ATOM 0 H ASN A 92 -6.477 -8.316 6.195 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.498 -5.932 5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.766 -7.976 5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -8.490 -7.313 7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.780 -5.881 6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.114 -7.437 7.026 1.00 0.00 H new ATOM 1500 N ASP A 93 -6.287 -5.604 8.042 1.00 0.00 N ATOM 1501 CA ASP A 93 -5.882 -4.574 9.031 1.00 0.00 C ATOM 1502 C ASP A 93 -4.914 -3.577 8.389 1.00 0.00 C ATOM 1503 O ASP A 93 -4.970 -2.392 8.648 1.00 0.00 O ATOM 1504 CB ASP A 93 -5.195 -5.265 10.210 1.00 0.00 C ATOM 1505 CG ASP A 93 -6.197 -6.172 10.926 1.00 0.00 C ATOM 1506 OD1 ASP A 93 -7.385 -5.996 10.712 1.00 0.00 O ATOM 1507 OD2 ASP A 93 -5.758 -7.029 11.675 1.00 0.00 O ATOM 0 H ASP A 93 -6.033 -6.561 8.285 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.765 -4.034 9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.346 -5.851 9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.803 -4.521 10.903 1.00 0.00 H new ATOM 1512 N LEU A 94 -4.012 -4.048 7.570 1.00 0.00 N ATOM 1513 CA LEU A 94 -3.031 -3.123 6.937 1.00 0.00 C ATOM 1514 C LEU A 94 -3.749 -2.067 6.089 1.00 0.00 C ATOM 1515 O LEU A 94 -3.429 -0.898 6.144 1.00 0.00 O ATOM 1516 CB LEU A 94 -2.082 -3.924 6.043 1.00 0.00 C ATOM 1517 CG LEU A 94 -1.015 -2.986 5.469 1.00 0.00 C ATOM 1518 CD1 LEU A 94 -0.196 -2.383 6.610 1.00 0.00 C ATOM 1519 CD2 LEU A 94 -0.089 -3.770 4.542 1.00 0.00 C ATOM 0 H LEU A 94 -3.913 -5.030 7.313 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.471 -2.619 7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.611 -4.722 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.639 -4.398 5.235 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.502 -2.188 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.563 -1.716 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.854 -1.821 7.273 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.288 -3.182 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.669 -3.101 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.396 -4.569 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.670 -4.200 3.726 1.00 0.00 H new ATOM 1531 N ILE A 95 -4.709 -2.465 5.299 1.00 0.00 N ATOM 1532 CA ILE A 95 -5.424 -1.473 4.446 1.00 0.00 C ATOM 1533 C ILE A 95 -6.219 -0.511 5.334 1.00 0.00 C ATOM 1534 O ILE A 95 -6.257 0.681 5.100 1.00 0.00 O ATOM 1535 CB ILE A 95 -6.374 -2.206 3.501 1.00 0.00 C ATOM 1536 CG1 ILE A 95 -5.588 -3.254 2.709 1.00 0.00 C ATOM 1537 CG2 ILE A 95 -7.003 -1.205 2.526 1.00 0.00 C ATOM 1538 CD1 ILE A 95 -6.552 -4.099 1.872 1.00 0.00 C ATOM 0 H ILE A 95 -5.028 -3.429 5.207 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.699 -0.906 3.862 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.159 -2.692 4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.862 -2.764 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.027 -3.893 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.681 -1.730 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.558 -0.452 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.218 -0.720 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.989 -4.844 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.261 -4.601 2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.093 -3.455 1.179 1.00 0.00 H new ATOM 1550 N THR A 96 -6.860 -1.023 6.347 1.00 0.00 N ATOM 1551 CA THR A 96 -7.661 -0.153 7.252 1.00 0.00 C ATOM 1552 C THR A 96 -6.767 0.930 7.865 1.00 0.00 C ATOM 1553 O THR A 96 -7.168 2.069 8.000 1.00 0.00 O ATOM 1554 CB THR A 96 -8.267 -1.005 8.369 1.00 0.00 C ATOM 1555 OG1 THR A 96 -8.954 -2.111 7.795 1.00 0.00 O ATOM 1556 CG2 THR A 96 -9.251 -0.164 9.183 1.00 0.00 C ATOM 0 H THR A 96 -6.863 -2.014 6.588 1.00 0.00 H new ATOM 0 HA THR A 96 -8.457 0.323 6.679 1.00 0.00 H new ATOM 0 HB THR A 96 -7.472 -1.364 9.023 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.309 -2.812 7.563 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.681 -0.774 9.978 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.728 0.686 9.621 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.047 0.196 8.532 1.00 0.00 H new ATOM 1564 N TYR A 97 -5.563 0.593 8.245 1.00 0.00 N ATOM 1565 CA TYR A 97 -4.669 1.622 8.852 1.00 0.00 C ATOM 1566 C TYR A 97 -4.468 2.768 7.860 1.00 0.00 C ATOM 1567 O TYR A 97 -4.663 3.925 8.182 1.00 0.00 O ATOM 1568 CB TYR A 97 -3.316 0.994 9.190 1.00 0.00 C ATOM 1569 CG TYR A 97 -2.453 2.010 9.897 1.00 0.00 C ATOM 1570 CD1 TYR A 97 -2.611 2.230 11.270 1.00 0.00 C ATOM 1571 CD2 TYR A 97 -1.497 2.737 9.177 1.00 0.00 C ATOM 1572 CE1 TYR A 97 -1.811 3.176 11.925 1.00 0.00 C ATOM 1573 CE2 TYR A 97 -0.697 3.683 9.831 1.00 0.00 C ATOM 1574 CZ TYR A 97 -0.855 3.902 11.205 1.00 0.00 C ATOM 1575 OH TYR A 97 -0.067 4.834 11.850 1.00 0.00 O ATOM 0 H TYR A 97 -5.163 -0.341 8.163 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.125 2.006 9.765 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.458 0.118 9.823 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.823 0.653 8.279 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.350 1.671 11.825 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.376 2.568 8.117 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.932 3.345 12.985 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.041 4.243 9.276 1.00 0.00 H new ATOM 0 HH TYR A 97 0.545 5.247 11.206 1.00 0.00 H new ATOM 1585 N LEU A 98 -4.103 2.459 6.647 1.00 0.00 N ATOM 1586 CA LEU A 98 -3.919 3.533 5.634 1.00 0.00 C ATOM 1587 C LEU A 98 -5.281 4.133 5.308 1.00 0.00 C ATOM 1588 O LEU A 98 -5.403 5.300 4.993 1.00 0.00 O ATOM 1589 CB LEU A 98 -3.296 2.948 4.363 1.00 0.00 C ATOM 1590 CG LEU A 98 -1.875 2.466 4.657 1.00 0.00 C ATOM 1591 CD1 LEU A 98 -1.277 1.850 3.392 1.00 0.00 C ATOM 1592 CD2 LEU A 98 -1.017 3.655 5.093 1.00 0.00 C ATOM 0 H LEU A 98 -3.925 1.511 6.315 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.256 4.303 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.903 2.119 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.279 3.701 3.576 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.900 1.720 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.264 1.506 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.889 1.006 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.251 2.598 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.003 3.314 5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.992 4.398 4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.443 4.101 5.991 1.00 0.00 H new ATOM 1604 N LYS A 99 -6.310 3.336 5.384 1.00 0.00 N ATOM 1605 CA LYS A 99 -7.670 3.849 5.080 1.00 0.00 C ATOM 1606 C LYS A 99 -7.970 5.040 5.993 1.00 0.00 C ATOM 1607 O LYS A 99 -8.493 6.048 5.564 1.00 0.00 O ATOM 1608 CB LYS A 99 -8.692 2.742 5.342 1.00 0.00 C ATOM 1609 CG LYS A 99 -10.068 3.186 4.854 1.00 0.00 C ATOM 1610 CD LYS A 99 -11.112 2.136 5.237 1.00 0.00 C ATOM 1611 CE LYS A 99 -12.485 2.567 4.714 1.00 0.00 C ATOM 1612 NZ LYS A 99 -13.434 1.421 4.810 1.00 0.00 N ATOM 0 H LYS A 99 -6.265 2.351 5.644 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.725 4.161 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.392 1.828 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.730 2.513 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.328 4.149 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.055 3.323 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.839 1.167 4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.144 2.018 6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.858 3.412 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.404 2.901 3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.406 1.781 4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.352 0.830 3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.207 0.851 5.650 1.00 0.00 H new ATOM 1626 N LYS A 100 -7.635 4.931 7.250 1.00 0.00 N ATOM 1627 CA LYS A 100 -7.891 6.055 8.193 1.00 0.00 C ATOM 1628 C LYS A 100 -7.111 7.285 7.739 1.00 0.00 C ATOM 1629 O LYS A 100 -7.613 8.392 7.736 1.00 0.00 O ATOM 1630 CB LYS A 100 -7.415 5.655 9.588 1.00 0.00 C ATOM 1631 CG LYS A 100 -8.263 4.499 10.110 1.00 0.00 C ATOM 1632 CD LYS A 100 -7.805 4.152 11.525 1.00 0.00 C ATOM 1633 CE LYS A 100 -8.678 3.027 12.087 1.00 0.00 C ATOM 1634 NZ LYS A 100 -7.820 1.857 12.429 1.00 0.00 N ATOM 0 H LYS A 100 -7.194 4.110 7.665 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.957 6.280 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.366 5.362 9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.487 6.506 10.265 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.317 4.775 10.112 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.162 3.632 9.457 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.760 3.844 11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.871 5.032 12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.210 3.373 12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.432 2.737 11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.412 1.092 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.332 1.523 11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.117 2.139 13.141 1.00 0.00 H new ATOM 1648 N ALA A 101 -5.883 7.091 7.357 1.00 0.00 N ATOM 1649 CA ALA A 101 -5.049 8.239 6.902 1.00 0.00 C ATOM 1650 C ALA A 101 -5.700 8.901 5.686 1.00 0.00 C ATOM 1651 O ALA A 101 -5.536 10.080 5.448 1.00 0.00 O ATOM 1652 CB ALA A 101 -3.655 7.735 6.522 1.00 0.00 C ATOM 0 H ALA A 101 -5.417 6.184 7.339 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.968 8.968 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.043 8.573 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.188 7.267 7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.739 7.005 5.717 1.00 0.00 H new ATOM 1658 N THR A 102 -6.436 8.151 4.911 1.00 0.00 N ATOM 1659 CA THR A 102 -7.093 8.742 3.710 1.00 0.00 C ATOM 1660 C THR A 102 -8.031 9.871 4.146 1.00 0.00 C ATOM 1661 O THR A 102 -8.210 10.846 3.444 1.00 0.00 O ATOM 1662 CB THR A 102 -7.878 7.653 2.965 1.00 0.00 C ATOM 1663 OG1 THR A 102 -7.732 7.844 1.567 1.00 0.00 O ATOM 1664 CG2 THR A 102 -9.364 7.720 3.333 1.00 0.00 C ATOM 0 H THR A 102 -6.610 7.157 5.057 1.00 0.00 H new ATOM 0 HA THR A 102 -6.336 9.150 3.040 1.00 0.00 H new ATOM 0 HB THR A 102 -7.487 6.677 3.251 1.00 0.00 H new ATOM 0 HG1 THR A 102 -8.534 7.519 1.107 1.00 0.00 H new ATOM 0 HG21 THR A 102 -9.907 6.942 2.797 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.480 7.570 4.406 1.00 0.00 H new ATOM 0 HG23 THR A 102 -9.763 8.696 3.058 1.00 0.00 H new ATOM 1672 N GLU A 103 -8.634 9.747 5.297 1.00 0.00 N ATOM 1673 CA GLU A 103 -9.559 10.814 5.773 1.00 0.00 C ATOM 1674 C GLU A 103 -8.809 12.145 5.842 1.00 0.00 C ATOM 1675 O GLU A 103 -7.719 12.283 5.323 1.00 0.00 O ATOM 1676 CB GLU A 103 -10.084 10.452 7.164 1.00 0.00 C ATOM 1677 CG GLU A 103 -10.886 9.150 7.086 1.00 0.00 C ATOM 1678 CD GLU A 103 -11.473 8.829 8.461 1.00 0.00 C ATOM 1679 OE1 GLU A 103 -11.107 9.500 9.411 1.00 0.00 O ATOM 1680 OE2 GLU A 103 -12.279 7.915 8.539 1.00 0.00 O ATOM 0 H GLU A 103 -8.526 8.953 5.928 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.396 10.904 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.253 10.338 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.712 11.256 7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.685 9.246 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.244 8.334 6.754 1.00 0.00 H new TER 1687 GLU A 103 HETATM 1688 FE HEC A 201 5.499 0.781 -1.914 1.00 0.00 FE HETATM 1689 CHA HEC A 201 5.002 2.292 -4.901 1.00 0.00 C HETATM 1690 CHB HEC A 201 2.162 0.366 -1.573 1.00 0.00 C HETATM 1691 CHC HEC A 201 5.990 -0.701 1.079 1.00 0.00 C HETATM 1692 CHD HEC A 201 8.842 1.179 -2.279 1.00 0.00 C HETATM 1693 NA HEC A 201 3.930 1.233 -2.994 1.00 0.00 N HETATM 1694 C1A HEC A 201 3.892 1.862 -4.220 1.00 0.00 C HETATM 1695 C2A HEC A 201 2.541 1.989 -4.709 1.00 0.00 C HETATM 1696 C3A HEC A 201 1.737 1.526 -3.724 1.00 0.00 C HETATM 1697 C4A HEC A 201 2.606 1.000 -2.702 1.00 0.00 C HETATM 1698 CMA HEC A 201 0.272 1.760 -3.600 1.00 0.00 C HETATM 1699 CAA HEC A 201 2.131 2.257 -6.117 1.00 0.00 C HETATM 1700 CBA HEC A 201 2.552 3.650 -6.591 1.00 0.00 C HETATM 1701 CGA HEC A 201 1.315 4.451 -7.005 1.00 0.00 C HETATM 1702 O1A HEC A 201 1.290 5.643 -6.743 1.00 0.00 O HETATM 1703 O2A HEC A 201 0.412 3.860 -7.575 1.00 0.00 O HETATM 1704 NB HEC A 201 4.333 -0.010 -0.553 1.00 0.00 N HETATM 1705 C1B HEC A 201 2.962 -0.115 -0.569 1.00 0.00 C HETATM 1706 C2B HEC A 201 2.460 -0.790 0.604 1.00 0.00 C HETATM 1707 C3B HEC A 201 3.541 -0.982 1.421 1.00 0.00 C HETATM 1708 C4B HEC A 201 4.693 -0.569 0.650 1.00 0.00 C HETATM 1709 CMB HEC A 201 1.144 -1.490 0.675 1.00 0.00 C HETATM 1710 CAB HEC A 201 3.545 -1.186 2.913 1.00 0.00 C HETATM 1711 CBB HEC A 201 2.249 -1.752 3.502 1.00 0.00 C HETATM 1712 NC HEC A 201 7.071 0.333 -0.837 1.00 0.00 N HETATM 1713 C1C HEC A 201 7.103 -0.292 0.387 1.00 0.00 C HETATM 1714 C2C HEC A 201 8.453 -0.490 0.848 1.00 0.00 C HETATM 1715 C3C HEC A 201 9.259 0.125 -0.046 1.00 0.00 C HETATM 1716 C4C HEC A 201 8.399 0.570 -1.125 1.00 0.00 C HETATM 1717 CMC HEC A 201 8.892 -1.475 1.874 1.00 0.00 C HETATM 1718 CAC HEC A 201 10.681 0.511 0.193 1.00 0.00 C HETATM 1719 CBC HEC A 201 11.651 -0.664 0.054 1.00 0.00 C HETATM 1720 ND HEC A 201 6.661 1.570 -3.278 1.00 0.00 N HETATM 1721 C1D HEC A 201 8.035 1.643 -3.285 1.00 0.00 C HETATM 1722 C2D HEC A 201 8.527 2.249 -4.498 1.00 0.00 C HETATM 1723 C3D HEC A 201 7.441 2.646 -5.192 1.00 0.00 C HETATM 1724 C4D HEC A 201 6.294 2.163 -4.466 1.00 0.00 C HETATM 1725 CMD HEC A 201 9.909 2.133 -5.039 1.00 0.00 C HETATM 1726 CAD HEC A 201 7.426 3.613 -6.326 1.00 0.00 C HETATM 1727 CBD HEC A 201 7.429 2.913 -7.686 1.00 0.00 C HETATM 1728 CGD HEC A 201 6.508 3.665 -8.648 1.00 0.00 C HETATM 1729 O1D HEC A 201 5.975 3.032 -9.544 1.00 0.00 O HETATM 1730 O2D HEC A 201 6.351 4.861 -8.473 1.00 0.00 O HETATM 0 HMD3 HEC A 201 10.618 2.532 -4.314 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 10.138 1.085 -5.232 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 9.984 2.697 -5.968 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 8.385 -1.269 2.817 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 8.643 -2.483 1.541 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 9.970 -1.396 2.016 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 0.343 -0.780 0.472 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 1.117 -2.289 -0.066 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 1.010 -1.913 1.671 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 0.079 2.830 -3.527 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 -0.236 1.359 -4.477 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 -0.101 1.263 -2.705 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 8.442 2.879 -8.087 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.094 1.881 -7.577 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 11.392 -1.437 0.777 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 11.584 -1.073 -0.954 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 12.668 -0.320 0.239 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 1.424 -1.073 3.286 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 2.043 -2.726 3.058 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 2.357 -1.860 4.581 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.084 4.170 -5.794 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 3.241 3.566 -7.432 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 6.543 4.247 -6.248 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.295 4.267 -6.255 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 2.572 1.505 -6.771 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 1.049 2.158 -6.203 1.00 0.00 H new HETATM 0 HHD HEC A 201 9.918 1.301 -2.401 1.00 0.00 H new HETATM 0 HHC HEC A 201 6.150 -1.170 2.050 1.00 0.00 H new HETATM 0 HHB HEC A 201 1.086 0.233 -1.463 1.00 0.00 H new HETATM 0 HHA HEC A 201 4.843 2.775 -5.865 1.00 0.00 H new