USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD NoAdj-H: B 40 HIS HD1 : B 40 HIS ND1 : B 150 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -140:sc= 1.08 (180deg=-0.0269) USER MOD Single : A 3 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0479 X(o=-0.048,f=-0.048) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 15 MET CE :methyl -166:sc= -0.514 (180deg=-0.883) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.052 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= 1.2 (180deg=0.979) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= 1.31 (180deg=1.18) USER MOD Single : A 46 THR OG1 : rot 78:sc= 0.0823 USER MOD Single : A 48 ASN : amide:sc= 0.889 K(o=0.89,f=-0.15) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 TYR OH : rot 126:sc= 0.0103 USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 15 MET CE :methyl 164:sc= -0.0306 (180deg=-0.404) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 130:sc= 0 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 48 ASN : amide:sc= 0.919 K(o=0.92,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.081 -18.729 -8.711 1.00 0.00 N ATOM 2 CA MET A 1 -6.366 -18.436 -8.020 1.00 0.00 C ATOM 3 C MET A 1 -6.135 -18.151 -6.533 1.00 0.00 C ATOM 4 O MET A 1 -5.187 -18.674 -5.951 1.00 0.00 O ATOM 5 CB MET A 1 -7.426 -19.544 -8.228 1.00 0.00 C ATOM 6 CG MET A 1 -7.080 -20.935 -7.667 1.00 0.00 C ATOM 7 SD MET A 1 -5.791 -21.853 -8.560 1.00 0.00 S ATOM 8 CE MET A 1 -5.742 -23.366 -7.561 1.00 0.00 C ATOM 0 H1 MET A 1 -5.080 -18.277 -9.648 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.291 -18.357 -8.146 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.973 -19.757 -8.822 1.00 0.00 H new ATOM 0 HA MET A 1 -6.774 -17.536 -8.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.359 -19.214 -7.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.611 -19.643 -9.298 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.764 -20.819 -6.630 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.988 -21.538 -7.658 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.997 -24.048 -7.971 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.478 -23.115 -6.534 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.721 -23.845 -7.578 1.00 0.00 H new ATOM 20 N ASP A 2 -6.986 -17.316 -5.918 1.00 0.00 N ATOM 21 CA ASP A 2 -6.932 -16.915 -4.491 1.00 0.00 C ATOM 22 C ASP A 2 -5.550 -16.389 -4.016 1.00 0.00 C ATOM 23 O ASP A 2 -5.155 -16.538 -2.858 1.00 0.00 O ATOM 24 CB ASP A 2 -7.498 -18.065 -3.636 1.00 0.00 C ATOM 25 CG ASP A 2 -7.848 -17.645 -2.196 1.00 0.00 C ATOM 26 OD1 ASP A 2 -8.532 -16.608 -2.017 1.00 0.00 O ATOM 27 OD2 ASP A 2 -7.498 -18.384 -1.244 1.00 0.00 O ATOM 0 H ASP A 2 -7.764 -16.881 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.562 -16.036 -4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.392 -18.460 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.770 -18.875 -3.603 1.00 0.00 H new ATOM 32 N TYR A 3 -4.787 -15.789 -4.938 1.00 0.00 N ATOM 33 CA TYR A 3 -3.366 -15.440 -4.780 1.00 0.00 C ATOM 34 C TYR A 3 -3.089 -14.204 -3.896 1.00 0.00 C ATOM 35 O TYR A 3 -1.929 -13.881 -3.636 1.00 0.00 O ATOM 36 CB TYR A 3 -2.758 -15.242 -6.181 1.00 0.00 C ATOM 37 CG TYR A 3 -3.056 -13.897 -6.815 1.00 0.00 C ATOM 38 CD1 TYR A 3 -4.299 -13.652 -7.433 1.00 0.00 C ATOM 39 CD2 TYR A 3 -2.090 -12.876 -6.751 1.00 0.00 C ATOM 40 CE1 TYR A 3 -4.573 -12.386 -7.985 1.00 0.00 C ATOM 41 CE2 TYR A 3 -2.360 -11.618 -7.309 1.00 0.00 C ATOM 42 CZ TYR A 3 -3.595 -11.369 -7.943 1.00 0.00 C ATOM 43 OH TYR A 3 -3.837 -10.155 -8.510 1.00 0.00 O ATOM 0 H TYR A 3 -5.155 -15.522 -5.851 1.00 0.00 H new ATOM 0 HA TYR A 3 -2.898 -16.268 -4.248 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -1.677 -15.366 -6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.129 -16.029 -6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.041 -14.435 -7.483 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.140 -13.061 -6.272 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.533 -12.193 -8.441 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.618 -10.835 -7.253 1.00 0.00 H new ATOM 0 HH TYR A 3 -4.797 -9.961 -8.471 1.00 0.00 H new ATOM 53 N LEU A 4 -4.135 -13.494 -3.453 1.00 0.00 N ATOM 54 CA LEU A 4 -4.114 -12.175 -2.817 1.00 0.00 C ATOM 55 C LEU A 4 -3.144 -11.972 -1.637 1.00 0.00 C ATOM 56 O LEU A 4 -2.793 -10.827 -1.356 1.00 0.00 O ATOM 57 CB LEU A 4 -5.566 -11.809 -2.473 1.00 0.00 C ATOM 58 CG LEU A 4 -6.157 -12.651 -1.327 1.00 0.00 C ATOM 59 CD1 LEU A 4 -6.011 -11.978 0.040 1.00 0.00 C ATOM 60 CD2 LEU A 4 -7.643 -12.922 -1.559 1.00 0.00 C ATOM 0 H LEU A 4 -5.085 -13.855 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.684 -11.483 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.612 -10.755 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.184 -11.935 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.590 -13.582 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.445 -12.617 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.955 -11.818 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.529 -11.019 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.037 -13.518 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.182 -11.976 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.772 -13.465 -2.495 1.00 0.00 H new ATOM 72 N ARG A 5 -2.646 -13.026 -0.971 1.00 0.00 N ATOM 73 CA ARG A 5 -1.539 -12.874 -0.008 1.00 0.00 C ATOM 74 C ARG A 5 -0.312 -12.212 -0.646 1.00 0.00 C ATOM 75 O ARG A 5 0.283 -11.339 -0.027 1.00 0.00 O ATOM 76 CB ARG A 5 -1.163 -14.230 0.619 1.00 0.00 C ATOM 77 CG ARG A 5 -0.359 -14.026 1.918 1.00 0.00 C ATOM 78 CD ARG A 5 0.804 -15.009 2.094 1.00 0.00 C ATOM 79 NE ARG A 5 0.353 -16.387 2.371 1.00 0.00 N ATOM 80 CZ ARG A 5 1.127 -17.405 2.710 1.00 0.00 C ATOM 81 NH1 ARG A 5 2.424 -17.296 2.787 1.00 0.00 N ATOM 82 NH2 ARG A 5 0.608 -18.567 2.987 1.00 0.00 N ATOM 0 H ARG A 5 -2.986 -13.982 -1.078 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.891 -12.214 0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.067 -14.801 0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.576 -14.814 -0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.033 -13.009 1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.033 -14.121 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.415 -15.006 1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.440 -14.669 2.911 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.647 -16.571 2.294 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.874 -16.404 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.989 -18.103 3.052 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.403 -18.698 2.943 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.212 -19.346 3.247 1.00 0.00 H new ATOM 96 N GLU A 6 0.044 -12.544 -1.889 1.00 0.00 N ATOM 97 CA GLU A 6 1.146 -11.919 -2.601 1.00 0.00 C ATOM 98 C GLU A 6 0.910 -10.422 -2.859 1.00 0.00 C ATOM 99 O GLU A 6 1.854 -9.641 -2.782 1.00 0.00 O ATOM 100 CB GLU A 6 1.330 -12.687 -3.912 1.00 0.00 C ATOM 101 CG GLU A 6 2.143 -13.971 -3.716 1.00 0.00 C ATOM 102 CD GLU A 6 2.443 -14.656 -5.064 1.00 0.00 C ATOM 103 OE1 GLU A 6 3.455 -14.301 -5.716 1.00 0.00 O ATOM 104 OE2 GLU A 6 1.684 -15.569 -5.471 1.00 0.00 O ATOM 0 H GLU A 6 -0.435 -13.264 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 6 2.048 -11.967 -1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.353 -12.936 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.831 -12.048 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.079 -13.737 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.593 -14.657 -3.072 1.00 0.00 H new ATOM 111 N LEU A 7 -0.340 -9.999 -3.084 1.00 0.00 N ATOM 112 CA LEU A 7 -0.704 -8.579 -3.137 1.00 0.00 C ATOM 113 C LEU A 7 -0.490 -7.899 -1.785 1.00 0.00 C ATOM 114 O LEU A 7 0.158 -6.859 -1.718 1.00 0.00 O ATOM 115 CB LEU A 7 -2.167 -8.420 -3.571 1.00 0.00 C ATOM 116 CG LEU A 7 -2.541 -8.984 -4.943 1.00 0.00 C ATOM 117 CD1 LEU A 7 -4.050 -8.812 -5.127 1.00 0.00 C ATOM 118 CD2 LEU A 7 -1.764 -8.282 -6.056 1.00 0.00 C ATOM 0 H LEU A 7 -1.126 -10.631 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.055 -8.098 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.798 -8.899 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.411 -7.358 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.279 -10.041 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.345 -9.207 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.576 -9.353 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.305 -7.754 -5.072 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.049 -8.703 -7.020 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.993 -7.216 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.695 -8.426 -5.900 1.00 0.00 H new ATOM 130 N TYR A 8 -0.975 -8.497 -0.696 1.00 0.00 N ATOM 131 CA TYR A 8 -0.760 -8.009 0.669 1.00 0.00 C ATOM 132 C TYR A 8 0.726 -7.832 0.996 1.00 0.00 C ATOM 133 O TYR A 8 1.155 -6.759 1.426 1.00 0.00 O ATOM 134 CB TYR A 8 -1.466 -8.980 1.630 1.00 0.00 C ATOM 135 CG TYR A 8 -2.224 -8.324 2.774 1.00 0.00 C ATOM 136 CD1 TYR A 8 -1.594 -7.381 3.613 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.580 -8.648 2.987 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.321 -6.755 4.644 1.00 0.00 C ATOM 139 CE2 TYR A 8 -4.311 -8.020 4.014 1.00 0.00 C ATOM 140 CZ TYR A 8 -3.683 -7.069 4.846 1.00 0.00 C ATOM 141 OH TYR A 8 -4.375 -6.459 5.848 1.00 0.00 O ATOM 0 H TYR A 8 -1.537 -9.347 -0.737 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.188 -7.012 0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.163 -9.590 1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.721 -9.656 2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.552 -7.139 3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.061 -9.383 2.358 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.835 -6.032 5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.352 -8.266 4.165 1.00 0.00 H new ATOM 0 HH TYR A 8 -5.299 -6.784 5.852 1.00 0.00 H new ATOM 151 N LYS A 9 1.525 -8.856 0.689 1.00 0.00 N ATOM 152 CA LYS A 9 2.991 -8.863 0.846 1.00 0.00 C ATOM 153 C LYS A 9 3.761 -7.980 -0.157 1.00 0.00 C ATOM 154 O LYS A 9 4.988 -7.907 -0.071 1.00 0.00 O ATOM 155 CB LYS A 9 3.509 -10.316 0.868 1.00 0.00 C ATOM 156 CG LYS A 9 2.907 -11.203 1.981 1.00 0.00 C ATOM 157 CD LYS A 9 3.130 -10.731 3.426 1.00 0.00 C ATOM 158 CE LYS A 9 4.610 -10.787 3.827 1.00 0.00 C ATOM 159 NZ LYS A 9 4.795 -10.480 5.271 1.00 0.00 N ATOM 0 H LYS A 9 1.164 -9.733 0.312 1.00 0.00 H new ATOM 0 HA LYS A 9 3.197 -8.391 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.299 -10.776 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.593 -10.299 0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.834 -11.284 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.323 -12.206 1.881 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.763 -9.710 3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.547 -11.353 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.010 -11.778 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.178 -10.076 3.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.806 -10.526 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.436 -9.525 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.273 -11.174 5.843 1.00 0.00 H new ATOM 173 N LEU A 10 3.065 -7.254 -1.034 1.00 0.00 N ATOM 174 CA LEU A 10 3.622 -6.178 -1.871 1.00 0.00 C ATOM 175 C LEU A 10 3.100 -4.791 -1.463 1.00 0.00 C ATOM 176 O LEU A 10 3.885 -3.850 -1.381 1.00 0.00 O ATOM 177 CB LEU A 10 3.295 -6.445 -3.354 1.00 0.00 C ATOM 178 CG LEU A 10 4.072 -7.609 -4.000 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.485 -7.908 -5.381 1.00 0.00 C ATOM 180 CD2 LEU A 10 5.552 -7.284 -4.175 1.00 0.00 C ATOM 0 H LEU A 10 2.067 -7.399 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 10 4.702 -6.176 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.228 -6.648 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.495 -5.537 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 10 3.980 -8.468 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.034 -8.731 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.436 -8.184 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.567 -7.022 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.059 -8.133 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.659 -6.408 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.997 -7.078 -3.201 1.00 0.00 H new ATOM 192 N GLU A 11 1.804 -4.643 -1.174 1.00 0.00 N ATOM 193 CA GLU A 11 1.179 -3.335 -0.934 1.00 0.00 C ATOM 194 C GLU A 11 1.507 -2.776 0.462 1.00 0.00 C ATOM 195 O GLU A 11 1.778 -1.583 0.590 1.00 0.00 O ATOM 196 CB GLU A 11 -0.343 -3.447 -1.112 1.00 0.00 C ATOM 197 CG GLU A 11 -0.791 -3.748 -2.551 1.00 0.00 C ATOM 198 CD GLU A 11 -1.026 -2.455 -3.335 1.00 0.00 C ATOM 199 OE1 GLU A 11 -0.158 -1.686 -3.785 1.00 0.00 O ATOM 200 OE2 GLU A 11 -2.131 -1.913 -3.509 1.00 0.00 O ATOM 0 H GLU A 11 1.156 -5.427 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 11 1.589 -2.637 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.717 -4.233 -0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.805 -2.514 -0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.033 -4.349 -3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.707 -4.339 -2.534 1.00 0.00 H new ATOM 207 N GLN A 12 1.548 -3.619 1.504 1.00 0.00 N ATOM 208 CA GLN A 12 2.023 -3.229 2.833 1.00 0.00 C ATOM 209 C GLN A 12 3.554 -3.075 2.889 1.00 0.00 C ATOM 210 O GLN A 12 4.064 -2.251 3.650 1.00 0.00 O ATOM 211 CB GLN A 12 1.514 -4.251 3.857 1.00 0.00 C ATOM 212 CG GLN A 12 0.374 -3.665 4.694 1.00 0.00 C ATOM 213 CD GLN A 12 0.835 -2.615 5.706 1.00 0.00 C ATOM 214 OE1 GLN A 12 1.717 -2.839 6.526 1.00 0.00 O ATOM 215 NE2 GLN A 12 0.257 -1.433 5.703 1.00 0.00 N ATOM 0 H GLN A 12 1.251 -4.593 1.445 1.00 0.00 H new ATOM 0 HA GLN A 12 1.623 -2.244 3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.168 -5.147 3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.332 -4.555 4.511 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.362 -3.216 4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.128 -4.473 5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.479 -1.227 5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.545 -0.723 6.376 1.00 0.00 H new ATOM 224 N GLN A 13 4.295 -3.803 2.043 1.00 0.00 N ATOM 225 CA GLN A 13 5.708 -3.500 1.770 1.00 0.00 C ATOM 226 C GLN A 13 5.877 -2.080 1.196 1.00 0.00 C ATOM 227 O GLN A 13 6.609 -1.271 1.763 1.00 0.00 O ATOM 228 CB GLN A 13 6.327 -4.573 0.868 1.00 0.00 C ATOM 229 CG GLN A 13 7.518 -5.303 1.507 1.00 0.00 C ATOM 230 CD GLN A 13 8.770 -4.428 1.648 1.00 0.00 C ATOM 231 OE1 GLN A 13 8.918 -3.660 2.590 1.00 0.00 O ATOM 232 NE2 GLN A 13 9.717 -4.519 0.735 1.00 0.00 N ATOM 0 H GLN A 13 3.937 -4.611 1.533 1.00 0.00 H new ATOM 0 HA GLN A 13 6.252 -3.519 2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.561 -5.304 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.653 -4.109 -0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.225 -5.665 2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.762 -6.178 0.905 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.605 -5.155 -0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.562 -3.953 0.818 1.00 0.00 H new ATOM 241 N ALA A 14 5.125 -1.732 0.146 1.00 0.00 N ATOM 242 CA ALA A 14 5.068 -0.407 -0.491 1.00 0.00 C ATOM 243 C ALA A 14 4.329 0.666 0.355 1.00 0.00 C ATOM 244 O ALA A 14 3.532 1.452 -0.160 1.00 0.00 O ATOM 245 CB ALA A 14 4.463 -0.580 -1.893 1.00 0.00 C ATOM 0 H ALA A 14 4.505 -2.402 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 14 6.081 -0.014 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.409 0.390 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.089 -1.253 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.461 -1.000 -1.807 1.00 0.00 H new ATOM 251 N MET A 15 4.588 0.695 1.667 1.00 0.00 N ATOM 252 CA MET A 15 3.960 1.589 2.644 1.00 0.00 C ATOM 253 C MET A 15 4.897 1.934 3.809 1.00 0.00 C ATOM 254 O MET A 15 4.986 3.106 4.183 1.00 0.00 O ATOM 255 CB MET A 15 2.671 0.913 3.153 1.00 0.00 C ATOM 256 CG MET A 15 1.841 1.749 4.136 1.00 0.00 C ATOM 257 SD MET A 15 0.280 2.395 3.484 1.00 0.00 S ATOM 258 CE MET A 15 0.925 3.535 2.238 1.00 0.00 C ATOM 0 H MET A 15 5.270 0.069 2.094 1.00 0.00 H new ATOM 0 HA MET A 15 3.726 2.536 2.158 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.047 0.664 2.295 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.939 -0.027 3.636 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.624 1.138 5.012 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.448 2.588 4.475 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.128 4.202 1.908 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.736 4.123 2.668 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.300 2.968 1.386 1.00 0.00 H new ATOM 268 N LYS A 16 5.635 0.953 4.355 1.00 0.00 N ATOM 269 CA LYS A 16 6.568 1.164 5.483 1.00 0.00 C ATOM 270 C LYS A 16 7.670 2.176 5.155 1.00 0.00 C ATOM 271 O LYS A 16 8.000 3.021 5.983 1.00 0.00 O ATOM 272 CB LYS A 16 7.155 -0.192 5.926 1.00 0.00 C ATOM 273 CG LYS A 16 7.766 -0.156 7.344 1.00 0.00 C ATOM 274 CD LYS A 16 9.274 -0.451 7.419 1.00 0.00 C ATOM 275 CE LYS A 16 10.138 0.692 6.867 1.00 0.00 C ATOM 276 NZ LYS A 16 11.585 0.449 7.114 1.00 0.00 N ATOM 0 H LYS A 16 5.604 -0.013 4.028 1.00 0.00 H new ATOM 0 HA LYS A 16 6.005 1.597 6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.370 -0.948 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.922 -0.499 5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.583 0.828 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.240 -0.879 7.967 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.550 -0.639 8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.488 -1.363 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.963 0.797 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.841 1.632 7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.140 1.239 6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.755 0.373 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.873 -0.435 6.649 1.00 0.00 H new ATOM 290 N LEU A 17 8.221 2.109 3.939 1.00 0.00 N ATOM 291 CA LEU A 17 9.219 3.047 3.430 1.00 0.00 C ATOM 292 C LEU A 17 8.565 4.248 2.747 1.00 0.00 C ATOM 293 O LEU A 17 9.096 5.353 2.791 1.00 0.00 O ATOM 294 CB LEU A 17 10.162 2.371 2.423 1.00 0.00 C ATOM 295 CG LEU A 17 10.374 0.864 2.581 1.00 0.00 C ATOM 296 CD1 LEU A 17 9.466 0.099 1.621 1.00 0.00 C ATOM 297 CD2 LEU A 17 11.821 0.476 2.304 1.00 0.00 C ATOM 0 H LEU A 17 7.977 1.382 3.267 1.00 0.00 H new ATOM 0 HA LEU A 17 9.789 3.387 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.778 2.557 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.134 2.859 2.487 1.00 0.00 H new ATOM 0 HG LEU A 17 10.130 0.606 3.611 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.627 -0.972 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.425 0.337 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.697 0.385 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.938 -0.601 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.084 0.758 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.477 0.993 3.004 1.00 0.00 H new ATOM 309 N TYR A 18 7.405 4.024 2.120 1.00 0.00 N ATOM 310 CA TYR A 18 6.677 5.067 1.381 1.00 0.00 C ATOM 311 C TYR A 18 6.302 6.242 2.303 1.00 0.00 C ATOM 312 O TYR A 18 6.493 7.399 1.922 1.00 0.00 O ATOM 313 CB TYR A 18 5.453 4.478 0.646 1.00 0.00 C ATOM 314 CG TYR A 18 5.325 4.885 -0.820 1.00 0.00 C ATOM 315 CD1 TYR A 18 5.285 6.244 -1.195 1.00 0.00 C ATOM 316 CD2 TYR A 18 5.268 3.894 -1.823 1.00 0.00 C ATOM 317 CE1 TYR A 18 5.242 6.602 -2.560 1.00 0.00 C ATOM 318 CE2 TYR A 18 5.253 4.247 -3.187 1.00 0.00 C ATOM 319 CZ TYR A 18 5.258 5.606 -3.563 1.00 0.00 C ATOM 320 OH TYR A 18 5.294 5.957 -4.880 1.00 0.00 O ATOM 0 H TYR A 18 6.942 3.115 2.109 1.00 0.00 H new ATOM 0 HA TYR A 18 7.340 5.468 0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.502 3.391 0.703 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.549 4.784 1.173 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.287 7.013 -0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.235 2.852 -1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.197 7.644 -2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 18 5.238 3.477 -3.944 1.00 0.00 H new ATOM 0 HH TYR A 18 5.302 5.149 -5.434 1.00 0.00 H new ATOM 330 N ARG A 19 5.857 5.970 3.546 1.00 0.00 N ATOM 331 CA ARG A 19 5.620 7.035 4.546 1.00 0.00 C ATOM 332 C ARG A 19 6.894 7.789 4.963 1.00 0.00 C ATOM 333 O ARG A 19 6.858 9.000 5.165 1.00 0.00 O ATOM 334 CB ARG A 19 4.850 6.482 5.761 1.00 0.00 C ATOM 335 CG ARG A 19 5.674 5.545 6.665 1.00 0.00 C ATOM 336 CD ARG A 19 4.876 5.033 7.868 1.00 0.00 C ATOM 337 NE ARG A 19 3.826 4.072 7.479 1.00 0.00 N ATOM 338 CZ ARG A 19 2.925 3.543 8.290 1.00 0.00 C ATOM 339 NH1 ARG A 19 2.875 3.837 9.559 1.00 0.00 N ATOM 340 NH2 ARG A 19 2.044 2.695 7.842 1.00 0.00 N ATOM 0 H ARG A 19 5.655 5.028 3.882 1.00 0.00 H new ATOM 0 HA ARG A 19 4.997 7.784 4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.490 7.319 6.359 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.972 5.943 5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.024 4.696 6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.559 6.074 7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.555 4.558 8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.419 5.878 8.383 1.00 0.00 H new ATOM 0 HE ARG A 19 3.792 3.791 6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.545 4.495 9.957 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.166 3.409 10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.044 2.432 6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.354 2.293 8.477 1.00 0.00 H new ATOM 354 N GLU A 20 8.024 7.086 5.054 1.00 0.00 N ATOM 355 CA GLU A 20 9.329 7.631 5.459 1.00 0.00 C ATOM 356 C GLU A 20 9.882 8.579 4.385 1.00 0.00 C ATOM 357 O GLU A 20 10.280 9.709 4.670 1.00 0.00 O ATOM 358 CB GLU A 20 10.284 6.441 5.677 1.00 0.00 C ATOM 359 CG GLU A 20 11.341 6.658 6.768 1.00 0.00 C ATOM 360 CD GLU A 20 12.429 7.683 6.385 1.00 0.00 C ATOM 361 OE1 GLU A 20 13.116 7.491 5.353 1.00 0.00 O ATOM 362 OE2 GLU A 20 12.638 8.659 7.147 1.00 0.00 O ATOM 0 H GLU A 20 8.062 6.089 4.842 1.00 0.00 H new ATOM 0 HA GLU A 20 9.227 8.210 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.694 5.561 5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.791 6.223 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.846 6.991 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.817 5.704 6.995 1.00 0.00 H new ATOM 369 N ALA A 21 9.811 8.131 3.129 1.00 0.00 N ATOM 370 CA ALA A 21 10.101 8.933 1.945 1.00 0.00 C ATOM 371 C ALA A 21 9.210 10.189 1.872 1.00 0.00 C ATOM 372 O ALA A 21 9.722 11.289 1.674 1.00 0.00 O ATOM 373 CB ALA A 21 9.938 8.046 0.703 1.00 0.00 C ATOM 0 H ALA A 21 9.542 7.173 2.905 1.00 0.00 H new ATOM 0 HA ALA A 21 11.127 9.297 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.151 8.630 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.631 7.207 0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.916 7.670 0.656 1.00 0.00 H new ATOM 379 N SER A 22 7.898 10.052 2.102 1.00 0.00 N ATOM 380 CA SER A 22 6.952 11.183 2.133 1.00 0.00 C ATOM 381 C SER A 22 7.331 12.246 3.163 1.00 0.00 C ATOM 382 O SER A 22 7.349 13.436 2.851 1.00 0.00 O ATOM 383 CB SER A 22 5.544 10.671 2.446 1.00 0.00 C ATOM 384 OG SER A 22 4.553 11.580 1.996 1.00 0.00 O ATOM 0 H SER A 22 7.457 9.149 2.273 1.00 0.00 H new ATOM 0 HA SER A 22 6.987 11.649 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.394 9.701 1.971 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.440 10.519 3.520 1.00 0.00 H new ATOM 0 HG SER A 22 3.664 11.226 2.208 1.00 0.00 H new ATOM 390 N GLU A 23 7.678 11.817 4.378 1.00 0.00 N ATOM 391 CA GLU A 23 8.096 12.707 5.472 1.00 0.00 C ATOM 392 C GLU A 23 9.331 13.568 5.124 1.00 0.00 C ATOM 393 O GLU A 23 9.410 14.726 5.545 1.00 0.00 O ATOM 394 CB GLU A 23 8.328 11.876 6.747 1.00 0.00 C ATOM 395 CG GLU A 23 8.473 12.746 8.003 1.00 0.00 C ATOM 396 CD GLU A 23 8.602 11.882 9.273 1.00 0.00 C ATOM 397 OE1 GLU A 23 7.563 11.433 9.817 1.00 0.00 O ATOM 398 OE2 GLU A 23 9.742 11.660 9.752 1.00 0.00 O ATOM 0 H GLU A 23 7.678 10.830 4.637 1.00 0.00 H new ATOM 0 HA GLU A 23 7.289 13.419 5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.495 11.186 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.226 11.271 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.350 13.385 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.608 13.403 8.094 1.00 0.00 H new ATOM 405 N ARG A 24 10.271 13.040 4.321 1.00 0.00 N ATOM 406 CA ARG A 24 11.489 13.756 3.892 1.00 0.00 C ATOM 407 C ARG A 24 11.306 14.559 2.596 1.00 0.00 C ATOM 408 O ARG A 24 11.817 15.675 2.501 1.00 0.00 O ATOM 409 CB ARG A 24 12.648 12.746 3.782 1.00 0.00 C ATOM 410 CG ARG A 24 14.001 13.440 3.541 1.00 0.00 C ATOM 411 CD ARG A 24 15.168 12.453 3.652 1.00 0.00 C ATOM 412 NE ARG A 24 16.460 13.133 3.422 1.00 0.00 N ATOM 413 CZ ARG A 24 17.660 12.705 3.778 1.00 0.00 C ATOM 414 NH1 ARG A 24 17.840 11.568 4.390 1.00 0.00 N ATOM 415 NH2 ARG A 24 18.716 13.422 3.521 1.00 0.00 N ATOM 0 H ARG A 24 10.207 12.093 3.946 1.00 0.00 H new ATOM 0 HA ARG A 24 11.722 14.504 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.702 12.156 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.447 12.052 2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.004 13.899 2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.133 14.243 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.166 11.992 4.640 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.041 11.651 2.925 1.00 0.00 H new ATOM 0 HE ARG A 24 16.422 14.029 2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.040 10.975 4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.781 11.271 4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 24 18.620 14.318 3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 24 19.639 13.088 3.798 1.00 0.00 H new ATOM 429 N VAL A 25 10.585 14.020 1.609 1.00 0.00 N ATOM 430 CA VAL A 25 10.384 14.652 0.286 1.00 0.00 C ATOM 431 C VAL A 25 9.323 15.765 0.340 1.00 0.00 C ATOM 432 O VAL A 25 9.497 16.811 -0.287 1.00 0.00 O ATOM 433 CB VAL A 25 10.038 13.584 -0.770 1.00 0.00 C ATOM 434 CG1 VAL A 25 9.718 14.167 -2.152 1.00 0.00 C ATOM 435 CG2 VAL A 25 11.207 12.607 -0.971 1.00 0.00 C ATOM 0 H VAL A 25 10.114 13.120 1.700 1.00 0.00 H new ATOM 0 HA VAL A 25 11.319 15.129 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 25 9.153 13.086 -0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.484 13.357 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.862 14.837 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.580 14.722 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.936 11.864 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.087 13.156 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.429 12.106 -0.029 1.00 0.00 H new ATOM 445 N GLY A 26 8.252 15.578 1.120 1.00 0.00 N ATOM 446 CA GLY A 26 7.242 16.603 1.424 1.00 0.00 C ATOM 447 C GLY A 26 6.261 16.966 0.294 1.00 0.00 C ATOM 448 O GLY A 26 5.469 17.896 0.459 1.00 0.00 O ATOM 0 H GLY A 26 8.057 14.684 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.662 16.264 2.282 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.761 17.512 1.729 1.00 0.00 H new ATOM 452 N ASP A 27 6.296 16.278 -0.852 1.00 0.00 N ATOM 453 CA ASP A 27 5.408 16.547 -1.996 1.00 0.00 C ATOM 454 C ASP A 27 3.928 16.207 -1.694 1.00 0.00 C ATOM 455 O ASP A 27 3.650 15.197 -1.035 1.00 0.00 O ATOM 456 CB ASP A 27 5.889 15.766 -3.235 1.00 0.00 C ATOM 457 CG ASP A 27 6.451 16.701 -4.319 1.00 0.00 C ATOM 458 OD1 ASP A 27 7.567 17.243 -4.137 1.00 0.00 O ATOM 459 OD2 ASP A 27 5.771 16.902 -5.351 1.00 0.00 O ATOM 0 H ASP A 27 6.947 15.510 -1.017 1.00 0.00 H new ATOM 0 HA ASP A 27 5.456 17.618 -2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.657 15.051 -2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.060 15.191 -3.646 1.00 0.00 H new ATOM 464 N PRO A 28 2.950 16.979 -2.214 1.00 0.00 N ATOM 465 CA PRO A 28 1.528 16.738 -1.954 1.00 0.00 C ATOM 466 C PRO A 28 1.003 15.454 -2.619 1.00 0.00 C ATOM 467 O PRO A 28 0.148 14.770 -2.053 1.00 0.00 O ATOM 468 CB PRO A 28 0.806 17.989 -2.467 1.00 0.00 C ATOM 469 CG PRO A 28 1.736 18.533 -3.552 1.00 0.00 C ATOM 470 CD PRO A 28 3.126 18.175 -3.028 1.00 0.00 C ATOM 0 HA PRO A 28 1.350 16.574 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.177 17.746 -2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.653 18.717 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.539 18.072 -4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.619 19.609 -3.681 1.00 0.00 H new ATOM 0 HD2 PRO A 28 3.818 17.990 -3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.543 18.991 -2.438 1.00 0.00 H new ATOM 478 N VAL A 29 1.531 15.083 -3.795 1.00 0.00 N ATOM 479 CA VAL A 29 1.127 13.850 -4.496 1.00 0.00 C ATOM 480 C VAL A 29 1.557 12.580 -3.744 1.00 0.00 C ATOM 481 O VAL A 29 0.847 11.579 -3.785 1.00 0.00 O ATOM 482 CB VAL A 29 1.584 13.865 -5.971 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.088 13.654 -6.163 1.00 0.00 C ATOM 484 CG2 VAL A 29 0.827 12.830 -6.811 1.00 0.00 C ATOM 0 H VAL A 29 2.244 15.622 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 29 0.037 13.825 -4.508 1.00 0.00 H new ATOM 0 HB VAL A 29 1.348 14.872 -6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.326 13.678 -7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.635 14.446 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.376 12.688 -5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.177 12.872 -7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.005 11.833 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.241 13.048 -6.781 1.00 0.00 H new ATOM 494 N LEU A 30 2.655 12.614 -2.978 1.00 0.00 N ATOM 495 CA LEU A 30 3.085 11.508 -2.129 1.00 0.00 C ATOM 496 C LEU A 30 2.113 11.295 -0.960 1.00 0.00 C ATOM 497 O LEU A 30 1.705 10.161 -0.713 1.00 0.00 O ATOM 498 CB LEU A 30 4.509 11.800 -1.633 1.00 0.00 C ATOM 499 CG LEU A 30 5.622 11.241 -2.534 1.00 0.00 C ATOM 500 CD1 LEU A 30 5.586 11.853 -3.934 1.00 0.00 C ATOM 501 CD2 LEU A 30 6.977 11.525 -1.890 1.00 0.00 C ATOM 0 H LEU A 30 3.274 13.423 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 30 3.086 10.582 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.636 12.879 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.625 11.384 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 30 5.464 10.168 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.389 11.430 -4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.627 11.634 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.716 12.933 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.771 11.131 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.106 12.601 -1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.023 11.046 -0.912 1.00 0.00 H new ATOM 513 N ALA A 31 1.665 12.370 -0.300 1.00 0.00 N ATOM 514 CA ALA A 31 0.627 12.294 0.731 1.00 0.00 C ATOM 515 C ALA A 31 -0.687 11.698 0.183 1.00 0.00 C ATOM 516 O ALA A 31 -1.289 10.832 0.825 1.00 0.00 O ATOM 517 CB ALA A 31 0.420 13.687 1.337 1.00 0.00 C ATOM 0 H ALA A 31 2.012 13.315 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 31 0.956 11.614 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.351 13.638 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.353 14.033 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.111 14.381 0.556 1.00 0.00 H new ATOM 523 N LYS A 32 -1.092 12.086 -1.039 1.00 0.00 N ATOM 524 CA LYS A 32 -2.184 11.426 -1.782 1.00 0.00 C ATOM 525 C LYS A 32 -1.952 9.921 -2.002 1.00 0.00 C ATOM 526 O LYS A 32 -2.864 9.122 -1.801 1.00 0.00 O ATOM 527 CB LYS A 32 -2.435 12.192 -3.095 1.00 0.00 C ATOM 528 CG LYS A 32 -3.045 11.327 -4.208 1.00 0.00 C ATOM 529 CD LYS A 32 -3.429 12.169 -5.424 1.00 0.00 C ATOM 530 CE LYS A 32 -3.742 11.298 -6.653 1.00 0.00 C ATOM 531 NZ LYS A 32 -4.729 10.220 -6.368 1.00 0.00 N ATOM 0 H LYS A 32 -0.671 12.868 -1.542 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.086 11.468 -1.172 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.100 13.032 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.492 12.610 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.331 10.559 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.927 10.812 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.299 12.780 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.615 12.853 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.126 11.932 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.818 10.849 -7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.238 9.975 -7.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.232 9.380 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.408 10.551 -5.653 1.00 0.00 H new ATOM 545 N ILE A 33 -0.747 9.520 -2.395 1.00 0.00 N ATOM 546 CA ILE A 33 -0.412 8.110 -2.662 1.00 0.00 C ATOM 547 C ILE A 33 -0.481 7.249 -1.397 1.00 0.00 C ATOM 548 O ILE A 33 -0.959 6.119 -1.477 1.00 0.00 O ATOM 549 CB ILE A 33 0.943 8.003 -3.388 1.00 0.00 C ATOM 550 CG1 ILE A 33 0.733 8.488 -4.840 1.00 0.00 C ATOM 551 CG2 ILE A 33 1.525 6.576 -3.389 1.00 0.00 C ATOM 552 CD1 ILE A 33 2.049 8.822 -5.529 1.00 0.00 C ATOM 0 H ILE A 33 0.034 10.160 -2.540 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.170 7.704 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 33 1.667 8.619 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.213 7.716 -5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.092 9.369 -4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.479 6.572 -3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.677 6.244 -2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.831 5.900 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.852 9.158 -6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.558 9.613 -4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.681 7.934 -5.556 1.00 0.00 H new ATOM 564 N LEU A 34 -0.099 7.763 -0.223 1.00 0.00 N ATOM 565 CA LEU A 34 -0.300 7.035 1.037 1.00 0.00 C ATOM 566 C LEU A 34 -1.787 6.723 1.285 1.00 0.00 C ATOM 567 O LEU A 34 -2.122 5.602 1.656 1.00 0.00 O ATOM 568 CB LEU A 34 0.290 7.808 2.231 1.00 0.00 C ATOM 569 CG LEU A 34 1.790 8.132 2.142 1.00 0.00 C ATOM 570 CD1 LEU A 34 2.221 8.910 3.385 1.00 0.00 C ATOM 571 CD2 LEU A 34 2.679 6.895 2.023 1.00 0.00 C ATOM 0 H LEU A 34 0.348 8.674 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 34 0.231 6.088 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.259 8.743 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.116 7.228 3.137 1.00 0.00 H new ATOM 0 HG LEU A 34 1.918 8.718 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.285 9.139 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.653 9.838 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.033 8.308 4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.723 7.202 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.536 6.259 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.413 6.341 1.123 1.00 0.00 H new ATOM 583 N GLU A 35 -2.684 7.674 1.013 1.00 0.00 N ATOM 584 CA GLU A 35 -4.128 7.486 1.073 1.00 0.00 C ATOM 585 C GLU A 35 -4.619 6.469 0.029 1.00 0.00 C ATOM 586 O GLU A 35 -5.400 5.578 0.361 1.00 0.00 O ATOM 587 CB GLU A 35 -4.772 8.862 0.858 1.00 0.00 C ATOM 588 CG GLU A 35 -5.173 9.537 2.169 1.00 0.00 C ATOM 589 CD GLU A 35 -6.605 9.165 2.596 1.00 0.00 C ATOM 590 OE1 GLU A 35 -6.877 7.971 2.865 1.00 0.00 O ATOM 591 OE2 GLU A 35 -7.480 10.062 2.663 1.00 0.00 O ATOM 0 H GLU A 35 -2.415 8.619 0.738 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.412 7.075 2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.074 9.505 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.654 8.751 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.474 9.248 2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.098 10.619 2.058 1.00 0.00 H new ATOM 598 N ASP A 36 -4.137 6.549 -1.215 1.00 0.00 N ATOM 599 CA ASP A 36 -4.487 5.616 -2.280 1.00 0.00 C ATOM 600 C ASP A 36 -4.076 4.169 -1.942 1.00 0.00 C ATOM 601 O ASP A 36 -4.901 3.260 -2.032 1.00 0.00 O ATOM 602 CB ASP A 36 -3.822 6.080 -3.583 1.00 0.00 C ATOM 603 CG ASP A 36 -4.405 7.356 -4.218 1.00 0.00 C ATOM 604 OD1 ASP A 36 -5.594 7.693 -4.003 1.00 0.00 O ATOM 605 OD2 ASP A 36 -3.680 8.005 -5.010 1.00 0.00 O ATOM 0 H ASP A 36 -3.484 7.275 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.571 5.612 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.762 6.246 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.890 5.271 -4.311 1.00 0.00 H new ATOM 610 N GLU A 37 -2.835 3.930 -1.499 1.00 0.00 N ATOM 611 CA GLU A 37 -2.387 2.594 -1.083 1.00 0.00 C ATOM 612 C GLU A 37 -3.074 2.113 0.205 1.00 0.00 C ATOM 613 O GLU A 37 -3.358 0.924 0.310 1.00 0.00 O ATOM 614 CB GLU A 37 -0.866 2.547 -0.864 1.00 0.00 C ATOM 615 CG GLU A 37 0.007 2.909 -2.070 1.00 0.00 C ATOM 616 CD GLU A 37 -0.115 1.967 -3.282 1.00 0.00 C ATOM 617 OE1 GLU A 37 -0.857 0.947 -3.279 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.503 2.230 -4.341 1.00 0.00 O ATOM 0 H GLU A 37 -2.118 4.651 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.666 1.930 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.617 3.224 -0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.599 1.542 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.247 3.920 -2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.049 2.928 -1.750 1.00 0.00 H new ATOM 625 N GLU A 38 -3.405 2.988 1.164 1.00 0.00 N ATOM 626 CA GLU A 38 -4.256 2.592 2.297 1.00 0.00 C ATOM 627 C GLU A 38 -5.639 2.126 1.821 1.00 0.00 C ATOM 628 O GLU A 38 -6.113 1.074 2.265 1.00 0.00 O ATOM 629 CB GLU A 38 -4.404 3.721 3.331 1.00 0.00 C ATOM 630 CG GLU A 38 -3.206 3.788 4.285 1.00 0.00 C ATOM 631 CD GLU A 38 -3.454 4.816 5.407 1.00 0.00 C ATOM 632 OE1 GLU A 38 -4.081 4.452 6.434 1.00 0.00 O ATOM 633 OE2 GLU A 38 -3.020 5.987 5.288 1.00 0.00 O ATOM 0 H GLU A 38 -3.102 3.962 1.180 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.755 1.756 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.509 4.675 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.317 3.568 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.027 2.805 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.308 4.059 3.730 1.00 0.00 H new ATOM 640 N LYS A 39 -6.265 2.838 0.866 1.00 0.00 N ATOM 641 CA LYS A 39 -7.523 2.373 0.251 1.00 0.00 C ATOM 642 C LYS A 39 -7.376 1.029 -0.462 1.00 0.00 C ATOM 643 O LYS A 39 -8.255 0.175 -0.335 1.00 0.00 O ATOM 644 CB LYS A 39 -8.088 3.445 -0.697 1.00 0.00 C ATOM 645 CG LYS A 39 -9.145 4.315 -0.007 1.00 0.00 C ATOM 646 CD LYS A 39 -8.628 5.136 1.181 1.00 0.00 C ATOM 647 CE LYS A 39 -9.762 5.960 1.796 1.00 0.00 C ATOM 648 NZ LYS A 39 -9.309 6.653 3.027 1.00 0.00 N ATOM 0 H LYS A 39 -5.925 3.729 0.506 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.232 2.211 1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.276 4.077 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.528 2.963 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.571 4.996 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.955 3.672 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.204 4.471 1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.826 5.798 0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.118 6.693 1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.604 5.309 2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.004 7.380 3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.218 5.963 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.387 7.102 2.853 1.00 0.00 H new ATOM 662 N HIS A 40 -6.251 0.798 -1.141 1.00 0.00 N ATOM 663 CA HIS A 40 -5.962 -0.458 -1.814 1.00 0.00 C ATOM 664 C HIS A 40 -5.978 -1.685 -0.882 1.00 0.00 C ATOM 665 O HIS A 40 -6.376 -2.740 -1.354 1.00 0.00 O ATOM 666 CB HIS A 40 -4.606 -0.385 -2.526 1.00 0.00 C ATOM 667 CG HIS A 40 -4.471 0.474 -3.761 1.00 0.00 C ATOM 668 ND1 HIS A 40 -3.327 0.516 -4.576 1.00 0.00 N ATOM 669 CD2 HIS A 40 -5.405 1.329 -4.265 1.00 0.00 C ATOM 670 CE1 HIS A 40 -3.621 1.411 -5.547 1.00 0.00 C ATOM 671 NE2 HIS A 40 -4.855 1.914 -5.381 1.00 0.00 N ATOM 0 H HIS A 40 -5.509 1.491 -1.237 1.00 0.00 H new ATOM 0 HA HIS A 40 -6.768 -0.596 -2.534 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -3.872 -0.035 -1.800 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.323 -1.401 -2.800 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.391 1.512 -3.864 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.952 1.685 -6.349 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -5.305 2.608 -5.978 1.00 0.00 H new ATOM 679 N ILE A 41 -5.596 -1.581 0.401 1.00 0.00 N ATOM 680 CA ILE A 41 -5.571 -2.679 1.400 1.00 0.00 C ATOM 681 C ILE A 41 -6.990 -3.012 1.878 1.00 0.00 C ATOM 682 O ILE A 41 -7.322 -4.180 2.058 1.00 0.00 O ATOM 683 CB ILE A 41 -4.725 -2.320 2.652 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.276 -1.872 2.373 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.679 -3.495 3.651 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.408 -2.856 1.586 1.00 0.00 C ATOM 0 H ILE A 41 -5.281 -0.694 0.794 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.121 -3.534 0.895 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.246 -1.458 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.307 -0.929 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.789 -1.672 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.080 -3.213 4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.691 -3.738 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.234 -4.365 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.412 -2.435 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.333 -3.795 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.860 -3.041 0.611 1.00 0.00 H new ATOM 698 N GLU A 42 -7.857 -2.011 2.064 1.00 0.00 N ATOM 699 CA GLU A 42 -9.278 -2.262 2.344 1.00 0.00 C ATOM 700 C GLU A 42 -9.933 -3.009 1.172 1.00 0.00 C ATOM 701 O GLU A 42 -10.623 -4.010 1.374 1.00 0.00 O ATOM 702 CB GLU A 42 -10.015 -0.942 2.647 1.00 0.00 C ATOM 703 CG GLU A 42 -10.461 -0.842 4.113 1.00 0.00 C ATOM 704 CD GLU A 42 -9.276 -0.752 5.095 1.00 0.00 C ATOM 705 OE1 GLU A 42 -8.766 0.369 5.335 1.00 0.00 O ATOM 706 OE2 GLU A 42 -8.875 -1.796 5.666 1.00 0.00 O ATOM 0 H GLU A 42 -7.603 -1.024 2.026 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.351 -2.894 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.362 -0.102 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.887 -0.859 1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.096 0.036 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.068 -1.712 4.363 1.00 0.00 H new ATOM 713 N TRP A 43 -9.638 -2.586 -0.062 1.00 0.00 N ATOM 714 CA TRP A 43 -10.019 -3.312 -1.276 1.00 0.00 C ATOM 715 C TRP A 43 -9.332 -4.685 -1.387 1.00 0.00 C ATOM 716 O TRP A 43 -9.962 -5.637 -1.848 1.00 0.00 O ATOM 717 CB TRP A 43 -9.761 -2.418 -2.499 1.00 0.00 C ATOM 718 CG TRP A 43 -10.482 -1.093 -2.505 1.00 0.00 C ATOM 719 CD1 TRP A 43 -11.643 -0.826 -1.861 1.00 0.00 C ATOM 720 CD2 TRP A 43 -10.114 0.160 -3.174 1.00 0.00 C ATOM 721 NE1 TRP A 43 -12.004 0.491 -2.057 1.00 0.00 N ATOM 722 CE2 TRP A 43 -11.106 1.144 -2.872 1.00 0.00 C ATOM 723 CE3 TRP A 43 -9.054 0.570 -4.015 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -11.051 2.455 -3.372 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -8.996 1.879 -4.535 1.00 0.00 C ATOM 726 CH2 TRP A 43 -9.988 2.822 -4.213 1.00 0.00 C ATOM 0 H TRP A 43 -9.125 -1.724 -0.246 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.084 -3.538 -1.228 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.690 -2.228 -2.568 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -10.045 -2.969 -3.395 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.205 -1.541 -1.278 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -12.832 0.926 -1.650 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -8.273 -0.134 -4.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -11.816 3.172 -3.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -8.182 2.160 -5.187 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -9.933 3.825 -4.611 1.00 0.00 H new ATOM 737 N LEU A 44 -8.090 -4.827 -0.902 1.00 0.00 N ATOM 738 CA LEU A 44 -7.361 -6.109 -0.831 1.00 0.00 C ATOM 739 C LEU A 44 -8.096 -7.138 0.033 1.00 0.00 C ATOM 740 O LEU A 44 -8.348 -8.266 -0.384 1.00 0.00 O ATOM 741 CB LEU A 44 -5.969 -5.825 -0.238 1.00 0.00 C ATOM 742 CG LEU A 44 -4.814 -6.665 -0.745 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.523 -6.138 -0.136 1.00 0.00 C ATOM 744 CD2 LEU A 44 -4.962 -8.161 -0.492 1.00 0.00 C ATOM 0 H LEU A 44 -7.550 -4.041 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.284 -6.532 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.731 -4.777 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.030 -5.952 0.843 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.801 -6.568 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.683 -6.734 -0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.381 -5.098 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.580 -6.204 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.091 -8.685 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.039 -8.343 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.861 -8.527 -0.988 1.00 0.00 H new ATOM 756 N GLU A 45 -8.479 -6.720 1.236 1.00 0.00 N ATOM 757 CA GLU A 45 -9.276 -7.511 2.174 1.00 0.00 C ATOM 758 C GLU A 45 -10.625 -7.906 1.551 1.00 0.00 C ATOM 759 O GLU A 45 -10.963 -9.087 1.552 1.00 0.00 O ATOM 760 CB GLU A 45 -9.438 -6.732 3.491 1.00 0.00 C ATOM 761 CG GLU A 45 -9.630 -7.629 4.726 1.00 0.00 C ATOM 762 CD GLU A 45 -10.972 -8.389 4.764 1.00 0.00 C ATOM 763 OE1 GLU A 45 -12.045 -7.744 4.711 1.00 0.00 O ATOM 764 OE2 GLU A 45 -10.956 -9.637 4.905 1.00 0.00 O ATOM 0 H GLU A 45 -8.238 -5.797 1.597 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.759 -8.444 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.559 -6.106 3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.294 -6.063 3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.816 -8.353 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.550 -7.013 5.622 1.00 0.00 H new ATOM 771 N THR A 46 -11.344 -6.975 0.912 1.00 0.00 N ATOM 772 CA THR A 46 -12.588 -7.273 0.168 1.00 0.00 C ATOM 773 C THR A 46 -12.392 -8.295 -0.967 1.00 0.00 C ATOM 774 O THR A 46 -13.291 -9.098 -1.227 1.00 0.00 O ATOM 775 CB THR A 46 -13.227 -5.982 -0.371 1.00 0.00 C ATOM 776 OG1 THR A 46 -13.547 -5.133 0.712 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.535 -6.200 -1.138 1.00 0.00 C ATOM 0 H THR A 46 -11.084 -5.989 0.892 1.00 0.00 H new ATOM 0 HA THR A 46 -13.266 -7.736 0.885 1.00 0.00 H new ATOM 0 HB THR A 46 -12.490 -5.560 -1.054 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.734 -4.689 1.031 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.919 -5.240 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.350 -6.847 -1.996 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.268 -6.669 -0.481 1.00 0.00 H new ATOM 785 N ILE A 47 -11.218 -8.339 -1.614 1.00 0.00 N ATOM 786 CA ILE A 47 -10.912 -9.271 -2.720 1.00 0.00 C ATOM 787 C ILE A 47 -10.868 -10.763 -2.324 1.00 0.00 C ATOM 788 O ILE A 47 -10.831 -11.642 -3.185 1.00 0.00 O ATOM 789 CB ILE A 47 -9.679 -8.766 -3.528 1.00 0.00 C ATOM 790 CG1 ILE A 47 -10.034 -8.529 -5.012 1.00 0.00 C ATOM 791 CG2 ILE A 47 -8.428 -9.658 -3.449 1.00 0.00 C ATOM 792 CD1 ILE A 47 -10.980 -7.338 -5.228 1.00 0.00 C ATOM 0 H ILE A 47 -10.440 -7.721 -1.384 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.766 -9.255 -3.397 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.419 -7.827 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.116 -8.362 -5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.497 -9.429 -5.416 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.629 -9.218 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.104 -9.739 -2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.664 -10.650 -3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.189 -7.227 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.913 -7.512 -4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.511 -6.428 -4.854 1.00 0.00 H new ATOM 804 N ASN A 48 -10.975 -11.057 -1.026 1.00 0.00 N ATOM 805 CA ASN A 48 -11.226 -12.393 -0.474 1.00 0.00 C ATOM 806 C ASN A 48 -12.598 -12.994 -0.866 1.00 0.00 C ATOM 807 O ASN A 48 -12.797 -14.206 -0.736 1.00 0.00 O ATOM 808 CB ASN A 48 -11.064 -12.318 1.056 1.00 0.00 C ATOM 809 CG ASN A 48 -9.616 -12.342 1.507 1.00 0.00 C ATOM 810 OD1 ASN A 48 -9.007 -13.389 1.672 1.00 0.00 O ATOM 811 ND2 ASN A 48 -9.031 -11.193 1.741 1.00 0.00 N ATOM 0 H ASN A 48 -10.886 -10.344 -0.302 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.497 -13.076 -0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.536 -11.405 1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.593 -13.155 1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.063 -11.170 2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.543 -10.322 1.602 1.00 0.00 H new ATOM 818 N GLY A 49 -13.521 -12.166 -1.371 1.00 0.00 N ATOM 819 CA GLY A 49 -14.866 -12.540 -1.850 1.00 0.00 C ATOM 820 C GLY A 49 -15.766 -13.174 -0.785 1.00 0.00 C ATOM 821 O GLY A 49 -16.349 -14.247 -1.067 1.00 0.00 O ATOM 822 OXT GLY A 49 -15.918 -12.582 0.305 1.00 0.00 O ATOM 0 H GLY A 49 -13.345 -11.165 -1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.359 -11.650 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.761 -13.238 -2.681 1.00 0.00 H new TER 826 GLY A 49 ATOM 827 N MET B 1 19.790 9.858 -0.805 1.00 0.00 N ATOM 828 CA MET B 1 20.006 9.923 -2.274 1.00 0.00 C ATOM 829 C MET B 1 19.218 8.826 -2.998 1.00 0.00 C ATOM 830 O MET B 1 18.257 9.138 -3.698 1.00 0.00 O ATOM 831 CB MET B 1 21.507 9.932 -2.642 1.00 0.00 C ATOM 832 CG MET B 1 21.757 10.524 -4.035 1.00 0.00 C ATOM 833 SD MET B 1 21.305 12.279 -4.187 1.00 0.00 S ATOM 834 CE MET B 1 21.981 12.643 -5.830 1.00 0.00 C ATOM 0 H1 MET B 1 20.335 10.612 -0.340 1.00 0.00 H new ATOM 0 H2 MET B 1 18.779 9.983 -0.597 1.00 0.00 H new ATOM 0 H3 MET B 1 20.105 8.933 -0.448 1.00 0.00 H new ATOM 0 HA MET B 1 19.612 10.876 -2.625 1.00 0.00 H new ATOM 0 HB2 MET B 1 22.058 10.509 -1.899 1.00 0.00 H new ATOM 0 HB3 MET B 1 21.894 8.914 -2.607 1.00 0.00 H new ATOM 0 HG2 MET B 1 22.812 10.409 -4.283 1.00 0.00 H new ATOM 0 HG3 MET B 1 21.192 9.949 -4.769 1.00 0.00 H new ATOM 0 HE1 MET B 1 21.788 13.686 -6.080 1.00 0.00 H new ATOM 0 HE2 MET B 1 23.056 12.463 -5.829 1.00 0.00 H new ATOM 0 HE3 MET B 1 21.505 11.999 -6.570 1.00 0.00 H new ATOM 846 N ASP B 2 19.568 7.546 -2.822 1.00 0.00 N ATOM 847 CA ASP B 2 18.798 6.401 -3.340 1.00 0.00 C ATOM 848 C ASP B 2 17.666 5.992 -2.373 1.00 0.00 C ATOM 849 O ASP B 2 17.925 5.658 -1.214 1.00 0.00 O ATOM 850 CB ASP B 2 19.760 5.223 -3.575 1.00 0.00 C ATOM 851 CG ASP B 2 19.038 3.960 -4.078 1.00 0.00 C ATOM 852 OD1 ASP B 2 18.060 4.088 -4.850 1.00 0.00 O ATOM 853 OD2 ASP B 2 19.462 2.836 -3.711 1.00 0.00 O ATOM 0 H ASP B 2 20.405 7.269 -2.309 1.00 0.00 H new ATOM 0 HA ASP B 2 18.326 6.690 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP B 2 20.518 5.517 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP B 2 20.281 4.993 -2.646 1.00 0.00 H new ATOM 858 N TYR B 3 16.415 6.011 -2.850 1.00 0.00 N ATOM 859 CA TYR B 3 15.231 5.524 -2.118 1.00 0.00 C ATOM 860 C TYR B 3 14.084 5.109 -3.055 1.00 0.00 C ATOM 861 O TYR B 3 13.529 4.018 -2.911 1.00 0.00 O ATOM 862 CB TYR B 3 14.744 6.579 -1.102 1.00 0.00 C ATOM 863 CG TYR B 3 14.461 7.970 -1.652 1.00 0.00 C ATOM 864 CD1 TYR B 3 15.522 8.881 -1.824 1.00 0.00 C ATOM 865 CD2 TYR B 3 13.146 8.366 -1.970 1.00 0.00 C ATOM 866 CE1 TYR B 3 15.279 10.169 -2.336 1.00 0.00 C ATOM 867 CE2 TYR B 3 12.898 9.662 -2.467 1.00 0.00 C ATOM 868 CZ TYR B 3 13.967 10.563 -2.664 1.00 0.00 C ATOM 869 OH TYR B 3 13.751 11.810 -3.165 1.00 0.00 O ATOM 0 H TYR B 3 16.189 6.373 -3.776 1.00 0.00 H new ATOM 0 HA TYR B 3 15.542 4.629 -1.580 1.00 0.00 H new ATOM 0 HB2 TYR B 3 13.834 6.206 -0.632 1.00 0.00 H new ATOM 0 HB3 TYR B 3 15.494 6.669 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR B 3 16.528 8.589 -1.561 1.00 0.00 H new ATOM 0 HD2 TYR B 3 12.327 7.675 -1.833 1.00 0.00 H new ATOM 0 HE1 TYR B 3 16.100 10.857 -2.478 1.00 0.00 H new ATOM 0 HE2 TYR B 3 11.888 9.966 -2.698 1.00 0.00 H new ATOM 0 HH TYR B 3 13.261 11.742 -4.011 1.00 0.00 H new ATOM 879 N LEU B 4 13.747 5.936 -4.053 1.00 0.00 N ATOM 880 CA LEU B 4 12.634 5.703 -4.970 1.00 0.00 C ATOM 881 C LEU B 4 12.770 4.474 -5.885 1.00 0.00 C ATOM 882 O LEU B 4 11.766 4.027 -6.435 1.00 0.00 O ATOM 883 CB LEU B 4 12.356 6.995 -5.752 1.00 0.00 C ATOM 884 CG LEU B 4 13.224 7.210 -7.004 1.00 0.00 C ATOM 885 CD1 LEU B 4 12.578 8.254 -7.903 1.00 0.00 C ATOM 886 CD2 LEU B 4 14.645 7.670 -6.672 1.00 0.00 C ATOM 0 H LEU B 4 14.252 6.801 -4.246 1.00 0.00 H new ATOM 0 HA LEU B 4 11.772 5.443 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.308 6.999 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU B 4 12.499 7.843 -5.082 1.00 0.00 H new ATOM 0 HG LEU B 4 13.292 6.245 -7.505 1.00 0.00 H new ATOM 0 HD11 LEU B 4 13.195 8.404 -8.789 1.00 0.00 H new ATOM 0 HD12 LEU B 4 11.588 7.912 -8.204 1.00 0.00 H new ATOM 0 HD13 LEU B 4 12.487 9.195 -7.361 1.00 0.00 H new ATOM 0 HD21 LEU B 4 15.209 7.805 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU B 4 14.604 8.615 -6.130 1.00 0.00 H new ATOM 0 HD23 LEU B 4 15.136 6.918 -6.054 1.00 0.00 H new ATOM 898 N ARG B 5 13.976 3.921 -6.071 1.00 0.00 N ATOM 899 CA ARG B 5 14.193 2.753 -6.945 1.00 0.00 C ATOM 900 C ARG B 5 13.512 1.495 -6.406 1.00 0.00 C ATOM 901 O ARG B 5 12.929 0.752 -7.192 1.00 0.00 O ATOM 902 CB ARG B 5 15.694 2.522 -7.189 1.00 0.00 C ATOM 903 CG ARG B 5 16.352 3.722 -7.896 1.00 0.00 C ATOM 904 CD ARG B 5 17.808 3.445 -8.295 1.00 0.00 C ATOM 905 NE ARG B 5 17.915 2.453 -9.386 1.00 0.00 N ATOM 906 CZ ARG B 5 17.785 2.671 -10.685 1.00 0.00 C ATOM 907 NH1 ARG B 5 17.535 3.854 -11.173 1.00 0.00 N ATOM 908 NH2 ARG B 5 17.905 1.689 -11.531 1.00 0.00 N ATOM 0 H ARG B 5 14.826 4.266 -5.624 1.00 0.00 H new ATOM 0 HA ARG B 5 13.725 2.974 -7.905 1.00 0.00 H new ATOM 0 HB2 ARG B 5 16.193 2.343 -6.237 1.00 0.00 H new ATOM 0 HB3 ARG B 5 15.830 1.625 -7.794 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.777 3.975 -8.787 1.00 0.00 H new ATOM 0 HG3 ARG B 5 16.318 4.590 -7.238 1.00 0.00 H new ATOM 0 HD2 ARG B 5 18.280 4.377 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG B 5 18.358 3.085 -7.425 1.00 0.00 H new ATOM 0 HE ARG B 5 18.111 1.492 -9.106 1.00 0.00 H new ATOM 0 HH11 ARG B 5 17.433 4.653 -10.547 1.00 0.00 H new ATOM 0 HH12 ARG B 5 17.442 3.981 -12.181 1.00 0.00 H new ATOM 0 HH21 ARG B 5 18.100 0.746 -11.194 1.00 0.00 H new ATOM 0 HH22 ARG B 5 17.804 1.862 -12.531 1.00 0.00 H new ATOM 922 N GLU B 6 13.491 1.293 -5.084 1.00 0.00 N ATOM 923 CA GLU B 6 12.661 0.293 -4.432 1.00 0.00 C ATOM 924 C GLU B 6 11.174 0.514 -4.725 1.00 0.00 C ATOM 925 O GLU B 6 10.487 -0.422 -5.118 1.00 0.00 O ATOM 926 CB GLU B 6 12.933 0.328 -2.919 1.00 0.00 C ATOM 927 CG GLU B 6 13.882 -0.796 -2.488 1.00 0.00 C ATOM 928 CD GLU B 6 13.732 -1.147 -0.992 1.00 0.00 C ATOM 929 OE1 GLU B 6 12.740 -1.823 -0.620 1.00 0.00 O ATOM 930 OE2 GLU B 6 14.629 -0.785 -0.192 1.00 0.00 O ATOM 0 H GLU B 6 14.062 1.832 -4.433 1.00 0.00 H new ATOM 0 HA GLU B 6 12.917 -0.690 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.364 1.292 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU B 6 11.991 0.237 -2.378 1.00 0.00 H new ATOM 0 HG2 GLU B 6 13.686 -1.684 -3.089 1.00 0.00 H new ATOM 0 HG3 GLU B 6 14.911 -0.496 -2.687 1.00 0.00 H new ATOM 937 N LEU B 7 10.681 1.751 -4.606 1.00 0.00 N ATOM 938 CA LEU B 7 9.283 2.074 -4.896 1.00 0.00 C ATOM 939 C LEU B 7 8.921 1.770 -6.354 1.00 0.00 C ATOM 940 O LEU B 7 7.908 1.128 -6.611 1.00 0.00 O ATOM 941 CB LEU B 7 9.004 3.543 -4.542 1.00 0.00 C ATOM 942 CG LEU B 7 9.346 3.984 -3.112 1.00 0.00 C ATOM 943 CD1 LEU B 7 8.975 5.454 -2.908 1.00 0.00 C ATOM 944 CD2 LEU B 7 8.621 3.127 -2.082 1.00 0.00 C ATOM 0 H LEU B 7 11.238 2.552 -4.307 1.00 0.00 H new ATOM 0 HA LEU B 7 8.648 1.439 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.563 4.172 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.946 3.740 -4.715 1.00 0.00 H new ATOM 0 HG LEU B 7 10.420 3.857 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU B 7 9.223 5.754 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU B 7 9.531 6.071 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU B 7 7.906 5.586 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU B 7 8.883 3.464 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.544 3.219 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU B 7 8.916 2.085 -2.204 1.00 0.00 H new ATOM 956 N TYR B 8 9.771 2.151 -7.307 1.00 0.00 N ATOM 957 CA TYR B 8 9.620 1.843 -8.729 1.00 0.00 C ATOM 958 C TYR B 8 9.513 0.346 -8.993 1.00 0.00 C ATOM 959 O TYR B 8 8.525 -0.117 -9.568 1.00 0.00 O ATOM 960 CB TYR B 8 10.791 2.476 -9.494 1.00 0.00 C ATOM 961 CG TYR B 8 10.410 3.048 -10.846 1.00 0.00 C ATOM 962 CD1 TYR B 8 10.259 2.199 -11.960 1.00 0.00 C ATOM 963 CD2 TYR B 8 10.194 4.434 -10.983 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.900 2.738 -13.211 1.00 0.00 C ATOM 965 CE2 TYR B 8 9.827 4.976 -12.230 1.00 0.00 C ATOM 966 CZ TYR B 8 9.684 4.127 -13.352 1.00 0.00 C ATOM 967 OH TYR B 8 9.335 4.636 -14.565 1.00 0.00 O ATOM 0 H TYR B 8 10.608 2.698 -7.105 1.00 0.00 H new ATOM 0 HA TYR B 8 8.681 2.267 -9.084 1.00 0.00 H new ATOM 0 HB2 TYR B 8 11.223 3.270 -8.884 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.568 1.724 -9.635 1.00 0.00 H new ATOM 0 HD1 TYR B 8 10.418 1.136 -11.855 1.00 0.00 H new ATOM 0 HD2 TYR B 8 10.310 5.083 -10.128 1.00 0.00 H new ATOM 0 HE1 TYR B 8 9.789 2.087 -14.066 1.00 0.00 H new ATOM 0 HE2 TYR B 8 9.655 6.038 -12.329 1.00 0.00 H new ATOM 0 HH TYR B 8 9.223 5.607 -14.492 1.00 0.00 H new ATOM 977 N LYS B 9 10.492 -0.423 -8.508 1.00 0.00 N ATOM 978 CA LYS B 9 10.525 -1.886 -8.685 1.00 0.00 C ATOM 979 C LYS B 9 9.529 -2.675 -7.824 1.00 0.00 C ATOM 980 O LYS B 9 9.418 -3.886 -8.000 1.00 0.00 O ATOM 981 CB LYS B 9 11.974 -2.398 -8.640 1.00 0.00 C ATOM 982 CG LYS B 9 12.564 -2.551 -7.231 1.00 0.00 C ATOM 983 CD LYS B 9 14.098 -2.474 -7.298 1.00 0.00 C ATOM 984 CE LYS B 9 14.797 -2.808 -5.972 1.00 0.00 C ATOM 985 NZ LYS B 9 14.767 -4.264 -5.667 1.00 0.00 N ATOM 0 H LYS B 9 11.284 -0.054 -7.982 1.00 0.00 H new ATOM 0 HA LYS B 9 10.143 -2.091 -9.685 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.018 -3.364 -9.143 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.603 -1.714 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.179 -1.767 -6.579 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.257 -3.504 -6.800 1.00 0.00 H new ATOM 0 HD2 LYS B 9 14.453 -3.160 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.388 -1.470 -7.607 1.00 0.00 H new ATOM 0 HE2 LYS B 9 15.832 -2.470 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.316 -2.260 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.251 -4.439 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.780 -4.584 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.250 -4.788 -6.425 1.00 0.00 H new ATOM 999 N LEU B 10 8.754 -1.993 -6.977 1.00 0.00 N ATOM 1000 CA LEU B 10 7.543 -2.515 -6.327 1.00 0.00 C ATOM 1001 C LEU B 10 6.266 -2.106 -7.080 1.00 0.00 C ATOM 1002 O LEU B 10 5.398 -2.950 -7.277 1.00 0.00 O ATOM 1003 CB LEU B 10 7.464 -1.976 -4.886 1.00 0.00 C ATOM 1004 CG LEU B 10 8.507 -2.545 -3.908 1.00 0.00 C ATOM 1005 CD1 LEU B 10 8.557 -1.659 -2.664 1.00 0.00 C ATOM 1006 CD2 LEU B 10 8.163 -3.970 -3.481 1.00 0.00 C ATOM 0 H LEU B 10 8.957 -1.029 -6.714 1.00 0.00 H new ATOM 0 HA LEU B 10 7.608 -3.603 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.573 -0.892 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU B 10 6.470 -2.186 -4.492 1.00 0.00 H new ATOM 0 HG LEU B 10 9.471 -2.563 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU B 10 9.294 -2.055 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU B 10 8.836 -0.645 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU B 10 7.576 -1.644 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU B 10 8.923 -4.336 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU B 10 7.191 -3.977 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU B 10 8.129 -4.615 -4.359 1.00 0.00 H new ATOM 1018 N GLU B 11 6.133 -0.855 -7.535 1.00 0.00 N ATOM 1019 CA GLU B 11 4.913 -0.365 -8.201 1.00 0.00 C ATOM 1020 C GLU B 11 4.739 -0.979 -9.603 1.00 0.00 C ATOM 1021 O GLU B 11 3.621 -1.320 -9.986 1.00 0.00 O ATOM 1022 CB GLU B 11 4.930 1.173 -8.276 1.00 0.00 C ATOM 1023 CG GLU B 11 4.792 1.879 -6.909 1.00 0.00 C ATOM 1024 CD GLU B 11 3.335 2.149 -6.544 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.480 1.297 -6.257 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.768 3.256 -6.583 1.00 0.00 O ATOM 0 H GLU B 11 6.866 -0.151 -7.454 1.00 0.00 H new ATOM 0 HA GLU B 11 4.058 -0.680 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.862 1.492 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.119 1.502 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.250 1.262 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.340 2.821 -6.932 1.00 0.00 H new ATOM 1033 N GLN B 12 5.831 -1.205 -10.350 1.00 0.00 N ATOM 1034 CA GLN B 12 5.819 -1.986 -11.594 1.00 0.00 C ATOM 1035 C GLN B 12 5.555 -3.488 -11.366 1.00 0.00 C ATOM 1036 O GLN B 12 5.017 -4.162 -12.245 1.00 0.00 O ATOM 1037 CB GLN B 12 7.153 -1.771 -12.328 1.00 0.00 C ATOM 1038 CG GLN B 12 6.963 -0.988 -13.629 1.00 0.00 C ATOM 1039 CD GLN B 12 6.332 -1.819 -14.747 1.00 0.00 C ATOM 1040 OE1 GLN B 12 6.840 -2.854 -15.159 1.00 0.00 O ATOM 1041 NE2 GLN B 12 5.208 -1.402 -15.293 1.00 0.00 N ATOM 0 H GLN B 12 6.754 -0.847 -10.104 1.00 0.00 H new ATOM 0 HA GLN B 12 4.989 -1.629 -12.204 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.844 -1.234 -11.678 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.607 -2.737 -12.548 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.336 -0.118 -13.433 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.930 -0.614 -13.965 1.00 0.00 H new ATOM 0 HE21 GLN B 12 4.769 -0.542 -14.964 1.00 0.00 H new ATOM 0 HE22 GLN B 12 4.776 -1.939 -16.045 1.00 0.00 H new ATOM 1050 N GLN B 13 5.909 -4.022 -10.189 1.00 0.00 N ATOM 1051 CA GLN B 13 5.634 -5.411 -9.810 1.00 0.00 C ATOM 1052 C GLN B 13 4.156 -5.614 -9.433 1.00 0.00 C ATOM 1053 O GLN B 13 3.491 -6.515 -9.949 1.00 0.00 O ATOM 1054 CB GLN B 13 6.585 -5.840 -8.687 1.00 0.00 C ATOM 1055 CG GLN B 13 7.600 -6.883 -9.182 1.00 0.00 C ATOM 1056 CD GLN B 13 8.505 -7.456 -8.088 1.00 0.00 C ATOM 1057 OE1 GLN B 13 8.638 -6.946 -6.984 1.00 0.00 O ATOM 1058 NE2 GLN B 13 9.161 -8.569 -8.350 1.00 0.00 N ATOM 0 H GLN B 13 6.400 -3.494 -9.467 1.00 0.00 H new ATOM 0 HA GLN B 13 5.817 -6.053 -10.672 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.114 -4.968 -8.303 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.010 -6.254 -7.859 1.00 0.00 H new ATOM 0 HG2 GLN B 13 7.059 -7.703 -9.655 1.00 0.00 H new ATOM 0 HG3 GLN B 13 8.224 -6.428 -9.951 1.00 0.00 H new ATOM 0 HE21 GLN B 13 9.067 -9.014 -9.263 1.00 0.00 H new ATOM 0 HE22 GLN B 13 9.763 -8.986 -7.640 1.00 0.00 H new ATOM 1067 N ALA B 14 3.616 -4.709 -8.613 1.00 0.00 N ATOM 1068 CA ALA B 14 2.201 -4.549 -8.282 1.00 0.00 C ATOM 1069 C ALA B 14 1.388 -3.955 -9.459 1.00 0.00 C ATOM 1070 O ALA B 14 0.683 -2.959 -9.311 1.00 0.00 O ATOM 1071 CB ALA B 14 2.112 -3.715 -6.993 1.00 0.00 C ATOM 0 H ALA B 14 4.197 -4.023 -8.131 1.00 0.00 H new ATOM 0 HA ALA B 14 1.742 -5.522 -8.106 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.066 -3.578 -6.720 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.633 -4.233 -6.188 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.575 -2.742 -7.157 1.00 0.00 H new ATOM 1077 N MET B 15 1.517 -4.554 -10.647 1.00 0.00 N ATOM 1078 CA MET B 15 0.796 -4.209 -11.880 1.00 0.00 C ATOM 1079 C MET B 15 0.628 -5.412 -12.801 1.00 0.00 C ATOM 1080 O MET B 15 -0.494 -5.735 -13.198 1.00 0.00 O ATOM 1081 CB MET B 15 1.587 -3.115 -12.639 1.00 0.00 C ATOM 1082 CG MET B 15 1.117 -1.686 -12.380 1.00 0.00 C ATOM 1083 SD MET B 15 0.146 -0.961 -13.728 1.00 0.00 S ATOM 1084 CE MET B 15 -1.234 -2.130 -13.778 1.00 0.00 C ATOM 0 H MET B 15 2.160 -5.334 -10.783 1.00 0.00 H new ATOM 0 HA MET B 15 -0.195 -3.856 -11.596 1.00 0.00 H new ATOM 0 HB2 MET B 15 2.639 -3.191 -12.364 1.00 0.00 H new ATOM 0 HB3 MET B 15 1.521 -3.315 -13.708 1.00 0.00 H new ATOM 0 HG2 MET B 15 0.518 -1.673 -11.469 1.00 0.00 H new ATOM 0 HG3 MET B 15 1.989 -1.057 -12.197 1.00 0.00 H new ATOM 0 HE1 MET B 15 -2.059 -1.695 -14.342 1.00 0.00 H new ATOM 0 HE2 MET B 15 -0.912 -3.053 -14.260 1.00 0.00 H new ATOM 0 HE3 MET B 15 -1.563 -2.348 -12.762 1.00 0.00 H new ATOM 1094 N LYS B 16 1.729 -6.120 -13.074 1.00 0.00 N ATOM 1095 CA LYS B 16 1.732 -7.394 -13.802 1.00 0.00 C ATOM 1096 C LYS B 16 0.698 -8.380 -13.263 1.00 0.00 C ATOM 1097 O LYS B 16 -0.042 -8.987 -14.029 1.00 0.00 O ATOM 1098 CB LYS B 16 3.136 -8.002 -13.702 1.00 0.00 C ATOM 1099 CG LYS B 16 4.016 -7.543 -14.880 1.00 0.00 C ATOM 1100 CD LYS B 16 5.352 -8.292 -14.996 1.00 0.00 C ATOM 1101 CE LYS B 16 5.145 -9.771 -15.360 1.00 0.00 C ATOM 1102 NZ LYS B 16 6.434 -10.451 -15.658 1.00 0.00 N ATOM 0 H LYS B 16 2.661 -5.818 -12.790 1.00 0.00 H new ATOM 0 HA LYS B 16 1.464 -7.197 -14.840 1.00 0.00 H new ATOM 0 HB2 LYS B 16 3.599 -7.707 -12.760 1.00 0.00 H new ATOM 0 HB3 LYS B 16 3.067 -9.090 -13.696 1.00 0.00 H new ATOM 0 HG2 LYS B 16 3.458 -7.672 -15.808 1.00 0.00 H new ATOM 0 HG3 LYS B 16 4.218 -6.477 -14.775 1.00 0.00 H new ATOM 0 HD2 LYS B 16 5.972 -7.814 -15.754 1.00 0.00 H new ATOM 0 HD3 LYS B 16 5.892 -8.222 -14.052 1.00 0.00 H new ATOM 0 HE2 LYS B 16 4.646 -10.282 -14.536 1.00 0.00 H new ATOM 0 HE3 LYS B 16 4.487 -9.844 -16.226 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 6.254 -11.446 -15.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 6.898 -9.979 -16.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 7.053 -10.404 -14.823 1.00 0.00 H new ATOM 1116 N LEU B 17 0.629 -8.508 -11.940 1.00 0.00 N ATOM 1117 CA LEU B 17 -0.231 -9.459 -11.253 1.00 0.00 C ATOM 1118 C LEU B 17 -1.705 -9.087 -11.397 1.00 0.00 C ATOM 1119 O LEU B 17 -2.520 -9.912 -11.811 1.00 0.00 O ATOM 1120 CB LEU B 17 0.182 -9.481 -9.780 1.00 0.00 C ATOM 1121 CG LEU B 17 1.631 -9.936 -9.572 1.00 0.00 C ATOM 1122 CD1 LEU B 17 2.098 -9.627 -8.151 1.00 0.00 C ATOM 1123 CD2 LEU B 17 1.834 -11.426 -9.851 1.00 0.00 C ATOM 0 H LEU B 17 1.185 -7.937 -11.303 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.114 -10.448 -11.697 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.056 -8.484 -9.358 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.484 -10.146 -9.231 1.00 0.00 H new ATOM 0 HG LEU B 17 2.228 -9.377 -10.293 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.129 -9.959 -8.027 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.038 -8.553 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.460 -10.148 -7.437 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.879 -11.688 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.204 -12.011 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.564 -11.643 -10.885 1.00 0.00 H new ATOM 1135 N TYR B 18 -2.018 -7.813 -11.145 1.00 0.00 N ATOM 1136 CA TYR B 18 -3.360 -7.260 -11.266 1.00 0.00 C ATOM 1137 C TYR B 18 -3.955 -7.414 -12.676 1.00 0.00 C ATOM 1138 O TYR B 18 -5.161 -7.633 -12.807 1.00 0.00 O ATOM 1139 CB TYR B 18 -3.305 -5.783 -10.864 1.00 0.00 C ATOM 1140 CG TYR B 18 -3.005 -5.466 -9.405 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.695 -6.120 -8.365 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -2.097 -4.439 -9.085 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.505 -5.730 -7.027 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.857 -4.092 -7.743 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.567 -4.728 -6.708 1.00 0.00 C ATOM 1146 OH TYR B 18 -2.355 -4.358 -5.416 1.00 0.00 O ATOM 0 H TYR B 18 -1.326 -7.126 -10.845 1.00 0.00 H new ATOM 0 HA TYR B 18 -4.020 -7.821 -10.605 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -2.548 -5.295 -11.478 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -4.263 -5.329 -11.118 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.375 -6.927 -8.597 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.581 -3.914 -9.875 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.079 -6.200 -6.242 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.125 -3.334 -7.506 1.00 0.00 H new ATOM 0 HH TYR B 18 -1.393 -4.366 -5.227 1.00 0.00 H new ATOM 1156 N ARG B 19 -3.119 -7.356 -13.726 1.00 0.00 N ATOM 1157 CA ARG B 19 -3.544 -7.537 -15.128 1.00 0.00 C ATOM 1158 C ARG B 19 -3.422 -8.976 -15.654 1.00 0.00 C ATOM 1159 O ARG B 19 -3.870 -9.238 -16.769 1.00 0.00 O ATOM 1160 CB ARG B 19 -2.868 -6.486 -16.034 1.00 0.00 C ATOM 1161 CG ARG B 19 -1.405 -6.784 -16.428 1.00 0.00 C ATOM 1162 CD ARG B 19 -1.198 -6.863 -17.949 1.00 0.00 C ATOM 1163 NE ARG B 19 -1.992 -7.951 -18.557 1.00 0.00 N ATOM 1164 CZ ARG B 19 -1.942 -8.387 -19.800 1.00 0.00 C ATOM 1165 NH1 ARG B 19 -1.123 -7.891 -20.684 1.00 0.00 N ATOM 1166 NH2 ARG B 19 -2.736 -9.348 -20.177 1.00 0.00 N ATOM 0 H ARG B 19 -2.119 -7.181 -13.627 1.00 0.00 H new ATOM 0 HA ARG B 19 -4.619 -7.360 -15.155 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -3.457 -6.386 -16.945 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -2.899 -5.522 -15.527 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.759 -6.008 -16.019 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -1.097 -7.727 -15.975 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -1.477 -5.912 -18.403 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -0.141 -7.021 -18.164 1.00 0.00 H new ATOM 0 HE ARG B 19 -2.657 -8.420 -17.942 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -0.488 -7.136 -20.424 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -1.117 -8.258 -21.636 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -3.391 -9.759 -19.512 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -2.702 -9.690 -21.137 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.842 -9.909 -14.893 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.848 -11.349 -15.222 1.00 0.00 C ATOM 1182 C GLU B 20 -4.068 -12.034 -14.598 1.00 0.00 C ATOM 1183 O GLU B 20 -4.877 -12.665 -15.280 1.00 0.00 O ATOM 1184 CB GLU B 20 -1.558 -11.993 -14.679 1.00 0.00 C ATOM 1185 CG GLU B 20 -1.160 -13.307 -15.368 1.00 0.00 C ATOM 1186 CD GLU B 20 -2.066 -14.510 -15.017 1.00 0.00 C ATOM 1187 OE1 GLU B 20 -2.243 -14.820 -13.814 1.00 0.00 O ATOM 1188 OE2 GLU B 20 -2.573 -15.180 -15.950 1.00 0.00 O ATOM 0 H GLU B 20 -2.351 -9.692 -14.026 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.898 -11.470 -16.304 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.740 -11.281 -14.784 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.682 -12.180 -13.612 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -1.177 -13.157 -16.448 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -0.133 -13.549 -15.096 1.00 0.00 H new ATOM 1195 N ALA B 21 -4.210 -11.854 -13.287 1.00 0.00 N ATOM 1196 CA ALA B 21 -5.219 -12.500 -12.453 1.00 0.00 C ATOM 1197 C ALA B 21 -6.643 -11.920 -12.597 1.00 0.00 C ATOM 1198 O ALA B 21 -7.560 -12.431 -11.960 1.00 0.00 O ATOM 1199 CB ALA B 21 -4.717 -12.457 -11.003 1.00 0.00 C ATOM 0 H ALA B 21 -3.602 -11.230 -12.757 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.336 -13.529 -12.794 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -5.449 -12.933 -10.350 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.768 -12.987 -10.931 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -4.578 -11.420 -10.697 1.00 0.00 H new ATOM 1205 N SER B 22 -6.870 -10.888 -13.420 1.00 0.00 N ATOM 1206 CA SER B 22 -8.168 -10.196 -13.534 1.00 0.00 C ATOM 1207 C SER B 22 -9.347 -11.122 -13.834 1.00 0.00 C ATOM 1208 O SER B 22 -10.343 -11.133 -13.110 1.00 0.00 O ATOM 1209 CB SER B 22 -8.083 -9.117 -14.619 1.00 0.00 C ATOM 1210 OG SER B 22 -9.113 -8.158 -14.455 1.00 0.00 O ATOM 0 H SER B 22 -6.152 -10.503 -14.034 1.00 0.00 H new ATOM 0 HA SER B 22 -8.362 -9.757 -12.555 1.00 0.00 H new ATOM 0 HB2 SER B 22 -7.111 -8.625 -14.574 1.00 0.00 H new ATOM 0 HB3 SER B 22 -8.162 -9.578 -15.604 1.00 0.00 H new ATOM 0 HG SER B 22 -9.041 -7.477 -15.156 1.00 0.00 H new ATOM 1216 N GLU B 23 -9.201 -11.966 -14.856 1.00 0.00 N ATOM 1217 CA GLU B 23 -10.200 -12.989 -15.217 1.00 0.00 C ATOM 1218 C GLU B 23 -10.327 -14.122 -14.175 1.00 0.00 C ATOM 1219 O GLU B 23 -11.363 -14.788 -14.108 1.00 0.00 O ATOM 1220 CB GLU B 23 -9.865 -13.601 -16.587 1.00 0.00 C ATOM 1221 CG GLU B 23 -9.991 -12.588 -17.732 1.00 0.00 C ATOM 1222 CD GLU B 23 -9.817 -13.283 -19.097 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -8.665 -13.397 -19.585 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -10.831 -13.717 -19.698 1.00 0.00 O ATOM 0 H GLU B 23 -8.383 -11.964 -15.465 1.00 0.00 H new ATOM 0 HA GLU B 23 -11.159 -12.472 -15.250 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.849 -13.996 -16.566 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -10.530 -14.443 -16.777 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -10.965 -12.101 -17.688 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -9.239 -11.807 -17.618 1.00 0.00 H new ATOM 1231 N ARG B 24 -9.286 -14.340 -13.357 1.00 0.00 N ATOM 1232 CA ARG B 24 -9.223 -15.399 -12.331 1.00 0.00 C ATOM 1233 C ARG B 24 -9.802 -14.951 -10.982 1.00 0.00 C ATOM 1234 O ARG B 24 -10.350 -15.782 -10.258 1.00 0.00 O ATOM 1235 CB ARG B 24 -7.772 -15.897 -12.170 1.00 0.00 C ATOM 1236 CG ARG B 24 -7.170 -16.389 -13.501 1.00 0.00 C ATOM 1237 CD ARG B 24 -5.768 -16.989 -13.337 1.00 0.00 C ATOM 1238 NE ARG B 24 -5.799 -18.323 -12.700 1.00 0.00 N ATOM 1239 CZ ARG B 24 -4.769 -19.131 -12.535 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -3.559 -18.786 -12.877 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -4.931 -20.310 -12.005 1.00 0.00 N ATOM 0 H ARG B 24 -8.440 -13.770 -13.390 1.00 0.00 H new ATOM 0 HA ARG B 24 -9.848 -16.223 -12.677 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.156 -15.091 -11.771 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.747 -16.707 -11.441 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -7.831 -17.137 -13.938 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -7.123 -15.556 -14.203 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -5.292 -17.067 -14.314 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -5.155 -16.316 -12.737 1.00 0.00 H new ATOM 0 HE ARG B 24 -6.702 -18.649 -12.356 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -3.387 -17.867 -13.286 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -2.785 -19.435 -12.736 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -5.860 -20.615 -11.714 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -4.129 -20.928 -11.881 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.724 -13.654 -10.657 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.293 -13.066 -9.425 1.00 0.00 C ATOM 1257 C VAL B 25 -11.708 -12.515 -9.660 1.00 0.00 C ATOM 1258 O VAL B 25 -12.603 -12.767 -8.851 1.00 0.00 O ATOM 1259 CB VAL B 25 -9.359 -11.977 -8.871 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -9.912 -11.281 -7.622 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -7.988 -12.553 -8.485 1.00 0.00 C ATOM 0 H VAL B 25 -9.257 -12.967 -11.249 1.00 0.00 H new ATOM 0 HA VAL B 25 -10.377 -13.860 -8.683 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.272 -11.254 -9.682 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -9.204 -10.525 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -10.863 -10.806 -7.861 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -10.062 -12.017 -6.832 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -7.354 -11.755 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -8.117 -13.318 -7.719 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -7.518 -12.995 -9.364 1.00 0.00 H new ATOM 1271 N GLY B 26 -11.948 -11.832 -10.786 1.00 0.00 N ATOM 1272 CA GLY B 26 -13.289 -11.438 -11.241 1.00 0.00 C ATOM 1273 C GLY B 26 -13.955 -10.293 -10.459 1.00 0.00 C ATOM 1274 O GLY B 26 -15.165 -10.345 -10.228 1.00 0.00 O ATOM 0 H GLY B 26 -11.205 -11.532 -11.417 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -13.225 -11.147 -12.289 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.939 -12.312 -11.192 1.00 0.00 H new ATOM 1278 N ASP B 27 -13.200 -9.264 -10.056 1.00 0.00 N ATOM 1279 CA ASP B 27 -13.716 -8.088 -9.320 1.00 0.00 C ATOM 1280 C ASP B 27 -13.493 -6.755 -10.076 1.00 0.00 C ATOM 1281 O ASP B 27 -12.504 -6.619 -10.802 1.00 0.00 O ATOM 1282 CB ASP B 27 -13.065 -8.021 -7.926 1.00 0.00 C ATOM 1283 CG ASP B 27 -13.797 -8.908 -6.906 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -14.944 -8.564 -6.532 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -13.225 -9.927 -6.454 1.00 0.00 O ATOM 0 H ASP B 27 -12.196 -9.218 -10.232 1.00 0.00 H new ATOM 0 HA ASP B 27 -14.794 -8.217 -9.226 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.023 -8.334 -7.997 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.065 -6.989 -7.575 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.370 -5.742 -9.903 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.236 -4.440 -10.567 1.00 0.00 C ATOM 1292 C PRO B 28 -13.191 -3.525 -9.903 1.00 0.00 C ATOM 1293 O PRO B 28 -12.488 -2.785 -10.594 1.00 0.00 O ATOM 1294 CB PRO B 28 -15.638 -3.824 -10.507 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.233 -4.402 -9.222 1.00 0.00 C ATOM 1296 CD PRO B 28 -15.622 -5.802 -9.155 1.00 0.00 C ATOM 0 HA PRO B 28 -13.874 -4.561 -11.588 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.596 -2.735 -10.475 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.232 -4.094 -11.380 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -15.967 -3.804 -8.350 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.322 -4.439 -9.263 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -15.443 -6.098 -8.121 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.297 -6.541 -9.586 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.041 -3.584 -8.572 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.048 -2.776 -7.833 1.00 0.00 C ATOM 1306 C VAL B 29 -10.606 -3.153 -8.195 1.00 0.00 C ATOM 1307 O VAL B 29 -9.726 -2.299 -8.198 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.305 -2.822 -6.311 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -11.995 -4.173 -5.658 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -11.522 -1.739 -5.566 1.00 0.00 C ATOM 0 H VAL B 29 -13.602 -4.191 -7.974 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.176 -1.740 -8.147 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.377 -2.647 -6.223 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -12.203 -4.117 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.617 -4.946 -6.109 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -10.944 -4.418 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -11.732 -1.807 -4.499 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.455 -1.880 -5.736 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -11.821 -0.757 -5.932 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.361 -4.403 -8.596 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.090 -4.903 -9.095 1.00 0.00 C ATOM 1322 C LEU B 30 -8.666 -4.194 -10.390 1.00 0.00 C ATOM 1323 O LEU B 30 -7.527 -3.744 -10.525 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.345 -6.400 -9.304 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.236 -7.170 -10.006 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -6.896 -7.071 -9.288 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -8.625 -8.641 -10.078 1.00 0.00 C ATOM 0 H LEU B 30 -11.082 -5.124 -8.578 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.264 -4.718 -8.408 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -9.520 -6.859 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -10.263 -6.516 -9.880 1.00 0.00 H new ATOM 0 HG LEU B 30 -8.119 -6.729 -10.996 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -6.146 -7.641 -9.837 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -6.589 -6.027 -9.232 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -6.992 -7.475 -8.280 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -7.836 -9.202 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -8.762 -9.031 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -9.555 -8.744 -10.637 1.00 0.00 H new ATOM 1339 N ALA B 31 -9.608 -4.039 -11.320 1.00 0.00 N ATOM 1340 CA ALA B 31 -9.413 -3.240 -12.531 1.00 0.00 C ATOM 1341 C ALA B 31 -9.144 -1.754 -12.216 1.00 0.00 C ATOM 1342 O ALA B 31 -8.253 -1.146 -12.813 1.00 0.00 O ATOM 1343 CB ALA B 31 -10.618 -3.426 -13.461 1.00 0.00 C ATOM 0 H ALA B 31 -10.532 -4.466 -11.255 1.00 0.00 H new ATOM 0 HA ALA B 31 -8.518 -3.596 -13.042 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -10.476 -2.832 -14.364 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -10.711 -4.478 -13.730 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -11.525 -3.100 -12.951 1.00 0.00 H new ATOM 1349 N LYS B 32 -9.847 -1.170 -11.232 1.00 0.00 N ATOM 1350 CA LYS B 32 -9.581 0.204 -10.762 1.00 0.00 C ATOM 1351 C LYS B 32 -8.194 0.352 -10.116 1.00 0.00 C ATOM 1352 O LYS B 32 -7.516 1.354 -10.335 1.00 0.00 O ATOM 1353 CB LYS B 32 -10.711 0.658 -9.818 1.00 0.00 C ATOM 1354 CG LYS B 32 -10.720 2.168 -9.523 1.00 0.00 C ATOM 1355 CD LYS B 32 -10.998 3.029 -10.768 1.00 0.00 C ATOM 1356 CE LYS B 32 -11.147 4.505 -10.377 1.00 0.00 C ATOM 1357 NZ LYS B 32 -11.471 5.352 -11.555 1.00 0.00 N ATOM 0 H LYS B 32 -10.612 -1.632 -10.741 1.00 0.00 H new ATOM 0 HA LYS B 32 -9.567 0.861 -11.632 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.669 0.380 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -10.622 0.116 -8.876 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -11.477 2.379 -8.767 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.757 2.454 -9.099 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -10.184 2.917 -11.484 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -11.907 2.684 -11.261 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.932 4.606 -9.628 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -10.222 4.856 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.565 6.343 -11.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -10.709 5.274 -12.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -12.366 5.032 -11.977 1.00 0.00 H new ATOM 1371 N ILE B 33 -7.736 -0.666 -9.385 1.00 0.00 N ATOM 1372 CA ILE B 33 -6.375 -0.746 -8.836 1.00 0.00 C ATOM 1373 C ILE B 33 -5.325 -0.801 -9.955 1.00 0.00 C ATOM 1374 O ILE B 33 -4.352 -0.054 -9.893 1.00 0.00 O ATOM 1375 CB ILE B 33 -6.242 -1.903 -7.828 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.013 -1.519 -6.547 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -4.771 -2.183 -7.471 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.269 -2.721 -5.645 1.00 0.00 C ATOM 0 H ILE B 33 -8.310 -1.476 -9.152 1.00 0.00 H new ATOM 0 HA ILE B 33 -6.180 0.169 -8.277 1.00 0.00 H new ATOM 0 HB ILE B 33 -6.651 -2.807 -8.278 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -6.447 -0.768 -5.996 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -7.965 -1.064 -6.821 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -4.720 -3.006 -6.758 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.222 -2.451 -8.374 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -4.328 -1.291 -7.028 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -7.814 -2.400 -4.757 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -7.859 -3.462 -6.185 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.318 -3.162 -5.347 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.516 -1.611 -11.006 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.563 -1.650 -12.127 1.00 0.00 C ATOM 1392 C LEU B 34 -4.452 -0.276 -12.832 1.00 0.00 C ATOM 1393 O LEU B 34 -3.354 0.154 -13.181 1.00 0.00 O ATOM 1394 CB LEU B 34 -4.821 -2.872 -13.045 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.533 -2.641 -14.392 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -4.609 -2.139 -15.508 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -6.117 -3.964 -14.899 1.00 0.00 C ATOM 0 H LEU B 34 -6.312 -2.242 -11.104 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.558 -1.820 -11.740 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.858 -3.339 -13.254 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.409 -3.594 -12.479 1.00 0.00 H new ATOM 0 HG LEU B 34 -6.289 -1.883 -14.188 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.185 -2.001 -16.423 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.164 -1.189 -15.212 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.820 -2.870 -15.683 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -6.620 -3.798 -15.852 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.314 -4.688 -15.034 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.833 -4.348 -14.172 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.559 0.461 -12.970 1.00 0.00 N ATOM 1410 CA GLU B 35 -5.609 1.826 -13.490 1.00 0.00 C ATOM 1411 C GLU B 35 -4.891 2.850 -12.591 1.00 0.00 C ATOM 1412 O GLU B 35 -4.249 3.777 -13.088 1.00 0.00 O ATOM 1413 CB GLU B 35 -7.090 2.191 -13.615 1.00 0.00 C ATOM 1414 CG GLU B 35 -7.640 1.913 -15.011 1.00 0.00 C ATOM 1415 CD GLU B 35 -7.257 3.020 -16.014 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -7.917 4.087 -16.028 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -6.299 2.825 -16.803 1.00 0.00 O ATOM 0 H GLU B 35 -6.480 0.106 -12.711 1.00 0.00 H new ATOM 0 HA GLU B 35 -5.088 1.860 -14.447 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -7.664 1.625 -12.881 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -7.223 3.247 -13.378 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -7.260 0.955 -15.366 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -8.726 1.827 -14.963 1.00 0.00 H new ATOM 1424 N ASP B 36 -4.980 2.686 -11.270 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.234 3.486 -10.296 1.00 0.00 C ATOM 1426 C ASP B 36 -2.724 3.231 -10.371 1.00 0.00 C ATOM 1427 O ASP B 36 -1.938 4.174 -10.473 1.00 0.00 O ATOM 1428 CB ASP B 36 -4.726 3.163 -8.873 1.00 0.00 C ATOM 1429 CG ASP B 36 -5.763 4.122 -8.274 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -6.165 5.115 -8.920 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -6.140 3.868 -7.100 1.00 0.00 O ATOM 0 H ASP B 36 -5.581 1.983 -10.840 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.411 4.535 -10.535 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.152 2.160 -8.879 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -3.861 3.138 -8.210 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.298 1.968 -10.333 1.00 0.00 N ATOM 1437 CA GLU B 37 -0.870 1.628 -10.308 1.00 0.00 C ATOM 1438 C GLU B 37 -0.139 1.973 -11.625 1.00 0.00 C ATOM 1439 O GLU B 37 1.089 2.069 -11.640 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.652 0.173 -9.884 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.241 -0.199 -8.512 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.629 0.480 -7.278 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.061 1.529 -7.342 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -0.901 0.034 -6.135 1.00 0.00 O ATOM 0 H GLU B 37 -2.921 1.160 -10.319 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.412 2.263 -9.549 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -1.090 -0.479 -10.640 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.419 -0.029 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.307 0.029 -8.529 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -1.147 -1.278 -8.385 1.00 0.00 H new ATOM 1451 N GLU B 38 -0.879 2.237 -12.709 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.355 2.763 -13.975 1.00 0.00 C ATOM 1453 C GLU B 38 0.199 4.193 -13.824 1.00 0.00 C ATOM 1454 O GLU B 38 1.397 4.412 -14.014 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.463 2.694 -15.042 1.00 0.00 C ATOM 1456 CG GLU B 38 -0.960 2.780 -16.492 1.00 0.00 C ATOM 1457 CD GLU B 38 -0.565 4.205 -16.938 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -1.416 5.125 -16.883 1.00 0.00 O ATOM 1459 OE2 GLU B 38 0.589 4.401 -17.397 1.00 0.00 O ATOM 0 H GLU B 38 -1.888 2.086 -12.730 1.00 0.00 H new ATOM 0 HA GLU B 38 0.487 2.147 -14.289 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.013 1.761 -14.917 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -2.169 3.506 -14.867 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.098 2.123 -16.606 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -1.737 2.405 -17.158 1.00 0.00 H new ATOM 1466 N LYS B 39 -0.637 5.177 -13.447 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.187 6.592 -13.360 1.00 0.00 C ATOM 1468 C LYS B 39 0.675 6.896 -12.125 1.00 0.00 C ATOM 1469 O LYS B 39 1.485 7.823 -12.138 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.324 7.586 -13.640 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.198 8.049 -12.475 1.00 0.00 C ATOM 1472 CD LYS B 39 -2.853 6.916 -11.677 1.00 0.00 C ATOM 1473 CE LYS B 39 -4.145 7.346 -10.971 1.00 0.00 C ATOM 1474 NZ LYS B 39 -5.308 7.345 -11.899 1.00 0.00 N ATOM 0 H LYS B 39 -1.615 5.030 -13.199 1.00 0.00 H new ATOM 0 HA LYS B 39 0.514 6.747 -14.180 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -0.883 8.473 -14.095 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.979 7.137 -14.387 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -1.589 8.648 -11.797 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.980 8.702 -12.862 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -3.072 6.086 -12.349 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -2.146 6.547 -10.934 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -4.345 6.673 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -4.015 8.344 -10.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -6.162 7.641 -11.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -5.128 8.006 -12.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -5.447 6.387 -12.280 1.00 0.00 H new ATOM 1488 N HIS B 40 0.616 6.010 -11.128 1.00 0.00 N ATOM 1489 CA HIS B 40 1.570 5.852 -10.018 1.00 0.00 C ATOM 1490 C HIS B 40 3.033 5.574 -10.429 1.00 0.00 C ATOM 1491 O HIS B 40 3.869 5.447 -9.545 1.00 0.00 O ATOM 1492 CB HIS B 40 1.090 4.679 -9.146 1.00 0.00 C ATOM 1493 CG HIS B 40 0.129 4.990 -8.025 1.00 0.00 C ATOM 1494 ND1 HIS B 40 0.057 4.273 -6.818 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.832 5.958 -8.026 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -0.955 4.844 -6.128 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.503 5.850 -6.828 1.00 0.00 N ATOM 0 H HIS B 40 -0.149 5.338 -11.067 1.00 0.00 H new ATOM 0 HA HIS B 40 1.585 6.810 -9.498 1.00 0.00 H new ATOM 0 HB2 HIS B 40 0.618 3.946 -9.800 1.00 0.00 H new ATOM 0 HB3 HIS B 40 1.968 4.201 -8.713 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -1.029 6.671 -8.813 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.279 4.533 -5.146 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -2.282 6.434 -6.525 1.00 0.00 H new ATOM 1505 N ILE B 41 3.372 5.476 -11.717 1.00 0.00 N ATOM 1506 CA ILE B 41 4.746 5.285 -12.221 1.00 0.00 C ATOM 1507 C ILE B 41 5.293 6.584 -12.834 1.00 0.00 C ATOM 1508 O ILE B 41 6.478 6.879 -12.696 1.00 0.00 O ATOM 1509 CB ILE B 41 4.808 4.066 -13.185 1.00 0.00 C ATOM 1510 CG1 ILE B 41 6.102 3.250 -12.975 1.00 0.00 C ATOM 1511 CG2 ILE B 41 4.695 4.442 -14.673 1.00 0.00 C ATOM 1512 CD1 ILE B 41 6.047 2.360 -11.725 1.00 0.00 C ATOM 0 H ILE B 41 2.681 5.528 -12.466 1.00 0.00 H new ATOM 0 HA ILE B 41 5.406 5.050 -11.386 1.00 0.00 H new ATOM 0 HB ILE B 41 3.935 3.464 -12.931 1.00 0.00 H new ATOM 0 HG12 ILE B 41 6.280 2.627 -13.852 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.948 3.933 -12.892 1.00 0.00 H new ATOM 0 HG21 ILE B 41 4.747 3.539 -15.281 1.00 0.00 H new ATOM 0 HG22 ILE B 41 3.744 4.945 -14.850 1.00 0.00 H new ATOM 0 HG23 ILE B 41 5.514 5.109 -14.943 1.00 0.00 H new ATOM 0 HD11 ILE B 41 6.983 1.810 -11.628 1.00 0.00 H new ATOM 0 HD12 ILE B 41 5.898 2.982 -10.842 1.00 0.00 H new ATOM 0 HD13 ILE B 41 5.220 1.655 -11.816 1.00 0.00 H new ATOM 1524 N GLU B 42 4.426 7.418 -13.422 1.00 0.00 N ATOM 1525 CA GLU B 42 4.756 8.779 -13.860 1.00 0.00 C ATOM 1526 C GLU B 42 4.939 9.698 -12.641 1.00 0.00 C ATOM 1527 O GLU B 42 5.985 10.327 -12.488 1.00 0.00 O ATOM 1528 CB GLU B 42 3.634 9.292 -14.781 1.00 0.00 C ATOM 1529 CG GLU B 42 3.938 10.638 -15.455 1.00 0.00 C ATOM 1530 CD GLU B 42 4.993 10.501 -16.571 1.00 0.00 C ATOM 1531 OE1 GLU B 42 4.615 10.223 -17.736 1.00 0.00 O ATOM 1532 OE2 GLU B 42 6.204 10.681 -16.299 1.00 0.00 O ATOM 0 H GLU B 42 3.457 7.160 -13.610 1.00 0.00 H new ATOM 0 HA GLU B 42 5.694 8.775 -14.414 1.00 0.00 H new ATOM 0 HB2 GLU B 42 3.444 8.547 -15.553 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.717 9.389 -14.199 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.019 11.049 -15.873 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.292 11.346 -14.706 1.00 0.00 H new ATOM 1539 N TRP B 43 3.968 9.695 -11.716 1.00 0.00 N ATOM 1540 CA TRP B 43 4.050 10.417 -10.438 1.00 0.00 C ATOM 1541 C TRP B 43 5.210 9.942 -9.546 1.00 0.00 C ATOM 1542 O TRP B 43 5.734 10.711 -8.743 1.00 0.00 O ATOM 1543 CB TRP B 43 2.718 10.276 -9.689 1.00 0.00 C ATOM 1544 CG TRP B 43 1.509 10.914 -10.315 1.00 0.00 C ATOM 1545 CD1 TRP B 43 1.516 11.922 -11.222 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.095 10.629 -10.057 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.219 12.273 -11.543 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.698 11.523 -10.839 1.00 0.00 C ATOM 1549 CE3 TRP B 43 -0.602 9.717 -9.232 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -2.100 11.528 -10.793 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -2.011 9.717 -9.170 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -2.759 10.622 -9.945 1.00 0.00 C ATOM 0 H TRP B 43 3.093 9.185 -11.836 1.00 0.00 H new ATOM 0 HA TRP B 43 4.249 11.463 -10.671 1.00 0.00 H new ATOM 0 HB2 TRP B 43 2.512 9.213 -9.562 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.845 10.697 -8.692 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.403 12.382 -11.632 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -0.029 12.997 -12.217 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -0.045 9.007 -8.638 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.665 12.219 -11.401 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.519 9.017 -8.523 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.838 10.620 -9.888 1.00 0.00 H new ATOM 1563 N LEU B 44 5.639 8.688 -9.698 1.00 0.00 N ATOM 1564 CA LEU B 44 6.806 8.123 -9.036 1.00 0.00 C ATOM 1565 C LEU B 44 8.136 8.482 -9.727 1.00 0.00 C ATOM 1566 O LEU B 44 9.140 8.636 -9.039 1.00 0.00 O ATOM 1567 CB LEU B 44 6.498 6.646 -8.918 1.00 0.00 C ATOM 1568 CG LEU B 44 7.622 5.780 -8.403 1.00 0.00 C ATOM 1569 CD1 LEU B 44 8.159 6.080 -7.010 1.00 0.00 C ATOM 1570 CD2 LEU B 44 7.179 4.331 -8.531 1.00 0.00 C ATOM 0 H LEU B 44 5.165 8.020 -10.306 1.00 0.00 H new ATOM 0 HA LEU B 44 6.976 8.548 -8.047 1.00 0.00 H new ATOM 0 HB2 LEU B 44 5.639 6.525 -8.258 1.00 0.00 H new ATOM 0 HB3 LEU B 44 6.200 6.277 -9.899 1.00 0.00 H new ATOM 0 HG LEU B 44 8.488 6.011 -9.023 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.961 5.382 -6.771 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.544 7.099 -6.980 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.356 5.974 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU B 44 7.970 3.675 -8.167 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.276 4.173 -7.941 1.00 0.00 H new ATOM 0 HD23 LEU B 44 6.973 4.105 -9.577 1.00 0.00 H new ATOM 1582 N GLU B 45 8.171 8.729 -11.038 1.00 0.00 N ATOM 1583 CA GLU B 45 9.327 9.382 -11.670 1.00 0.00 C ATOM 1584 C GLU B 45 9.471 10.835 -11.180 1.00 0.00 C ATOM 1585 O GLU B 45 10.585 11.308 -10.971 1.00 0.00 O ATOM 1586 CB GLU B 45 9.193 9.316 -13.197 1.00 0.00 C ATOM 1587 CG GLU B 45 10.536 9.140 -13.928 1.00 0.00 C ATOM 1588 CD GLU B 45 11.498 10.343 -13.817 1.00 0.00 C ATOM 1589 OE1 GLU B 45 11.153 11.445 -14.306 1.00 0.00 O ATOM 1590 OE2 GLU B 45 12.632 10.169 -13.303 1.00 0.00 O ATOM 0 H GLU B 45 7.418 8.489 -11.683 1.00 0.00 H new ATOM 0 HA GLU B 45 10.234 8.851 -11.382 1.00 0.00 H new ATOM 0 HB2 GLU B 45 8.535 8.488 -13.460 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.714 10.229 -13.551 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.036 8.256 -13.532 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.337 8.948 -14.982 1.00 0.00 H new ATOM 1597 N THR B 46 8.361 11.522 -10.881 1.00 0.00 N ATOM 1598 CA THR B 46 8.390 12.843 -10.219 1.00 0.00 C ATOM 1599 C THR B 46 9.126 12.825 -8.868 1.00 0.00 C ATOM 1600 O THR B 46 9.679 13.853 -8.472 1.00 0.00 O ATOM 1601 CB THR B 46 6.984 13.449 -10.040 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.178 13.237 -11.183 1.00 0.00 O ATOM 1603 CG2 THR B 46 6.996 14.960 -9.802 1.00 0.00 C ATOM 0 H THR B 46 7.421 11.185 -11.087 1.00 0.00 H new ATOM 0 HA THR B 46 8.954 13.481 -10.899 1.00 0.00 H new ATOM 0 HB THR B 46 6.584 12.941 -9.162 1.00 0.00 H new ATOM 0 HG1 THR B 46 5.293 13.631 -11.037 1.00 0.00 H new ATOM 0 HG21 THR B 46 5.973 15.318 -9.685 1.00 0.00 H new ATOM 0 HG22 THR B 46 7.564 15.181 -8.898 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.460 15.459 -10.653 1.00 0.00 H new ATOM 1611 N ILE B 47 9.225 11.678 -8.168 1.00 0.00 N ATOM 1612 CA ILE B 47 9.967 11.585 -6.898 1.00 0.00 C ATOM 1613 C ILE B 47 11.492 11.770 -7.046 1.00 0.00 C ATOM 1614 O ILE B 47 12.204 12.058 -6.083 1.00 0.00 O ATOM 1615 CB ILE B 47 9.537 10.287 -6.165 1.00 0.00 C ATOM 1616 CG1 ILE B 47 8.016 10.363 -5.903 1.00 0.00 C ATOM 1617 CG2 ILE B 47 10.289 10.076 -4.855 1.00 0.00 C ATOM 1618 CD1 ILE B 47 7.401 9.314 -4.971 1.00 0.00 C ATOM 0 H ILE B 47 8.798 10.800 -8.463 1.00 0.00 H new ATOM 0 HA ILE B 47 9.698 12.433 -6.269 1.00 0.00 H new ATOM 0 HB ILE B 47 9.781 9.435 -6.799 1.00 0.00 H new ATOM 0 HG12 ILE B 47 7.795 11.348 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE B 47 7.506 10.298 -6.864 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.949 9.154 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE B 47 11.358 10.008 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE B 47 10.099 10.916 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE B 47 6.329 9.491 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE B 47 7.571 8.319 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE B 47 7.865 9.385 -3.987 1.00 0.00 H new ATOM 1630 N ASN B 48 11.987 11.674 -8.273 1.00 0.00 N ATOM 1631 CA ASN B 48 13.410 11.715 -8.640 1.00 0.00 C ATOM 1632 C ASN B 48 14.069 13.114 -8.523 1.00 0.00 C ATOM 1633 O ASN B 48 15.293 13.238 -8.628 1.00 0.00 O ATOM 1634 CB ASN B 48 13.519 11.134 -10.063 1.00 0.00 C ATOM 1635 CG ASN B 48 14.885 10.604 -10.471 1.00 0.00 C ATOM 1636 OD1 ASN B 48 15.818 10.460 -9.691 1.00 0.00 O ATOM 1637 ND2 ASN B 48 15.020 10.246 -11.726 1.00 0.00 N ATOM 0 H ASN B 48 11.382 11.559 -9.086 1.00 0.00 H new ATOM 0 HA ASN B 48 13.976 11.120 -7.923 1.00 0.00 H new ATOM 0 HB2 ASN B 48 12.795 10.325 -10.159 1.00 0.00 H new ATOM 0 HB3 ASN B 48 13.227 11.908 -10.772 1.00 0.00 H new ATOM 0 HD21 ASN B 48 15.901 9.848 -12.051 1.00 0.00 H new ATOM 0 HD22 ASN B 48 14.244 10.365 -12.377 1.00 0.00 H new ATOM 1644 N GLY B 49 13.277 14.171 -8.299 1.00 0.00 N ATOM 1645 CA GLY B 49 13.748 15.556 -8.119 1.00 0.00 C ATOM 1646 C GLY B 49 12.622 16.590 -8.127 1.00 0.00 C ATOM 1647 O GLY B 49 12.157 16.969 -7.031 1.00 0.00 O ATOM 1648 OXT GLY B 49 12.234 17.030 -9.233 1.00 0.00 O ATOM 0 H GLY B 49 12.262 14.087 -8.236 1.00 0.00 H new ATOM 0 HA2 GLY B 49 14.289 15.627 -7.176 1.00 0.00 H new ATOM 0 HA3 GLY B 49 14.456 15.796 -8.912 1.00 0.00 H new TER 1652 GLY B 49 HETATM 1653 ZN ZN A 50 -1.464 -0.411 -4.271 1.00 0.00 ZN HETATM 1654 ZN ZN B 150 1.095 2.579 -6.317 1.00 0.00 ZN