USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 918 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 44 HIS HD1 : A 44 HIS ND1 : A 54 ZNZN :(H bumps) USER MOD NoAdj-H: B 44 HIS HD1 : B 44 HIS ND1 : B 154 ZNZN :(H bumps) USER MOD Set 1.1: A 3 TYR OH : rot 1:sc= 0.47 USER MOD Set 1.2: B 30 LYS NZ :NH3+ -156:sc= -1.13! (180deg=-4.94!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -98:sc= 0.0212 (180deg=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 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.095) USER MOD Single : A 15 MET CE :methyl -147:sc= -0.155 (180deg=-2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.178 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 1.58 (180deg=1.56) USER MOD Single : A 27 ASN : amide:sc= 0.212 K(o=0.21,f=-3.8!) USER MOD Single : A 30 LYS NZ :NH3+ -169:sc=-0.00154 (180deg=-0.2) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0132) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 78:sc= 0.0387 USER MOD Single : A 52 ASN : amide:sc= 0.592 K(o=0.59,f=-0.014) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 160:sc= 0.916 (180deg=0.603) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 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=-0.02) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 MET CE :methyl -144:sc= -0.358 (180deg=-1.43) 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= -0.0148 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 ASN : amide:sc= -0.102 K(o=-0.1,f=-4.9!) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 84:sc= 0.716 USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 86:sc= 0.0183 USER MOD Single : B 52 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.310 22.894 1.973 1.00 0.00 N ATOM 2 CA MET A 1 11.509 21.456 1.650 1.00 0.00 C ATOM 3 C MET A 1 10.289 20.907 0.903 1.00 0.00 C ATOM 4 O MET A 1 9.158 21.299 1.193 1.00 0.00 O ATOM 5 CB MET A 1 11.807 20.637 2.923 1.00 0.00 C ATOM 6 CG MET A 1 12.369 19.243 2.613 1.00 0.00 C ATOM 7 SD MET A 1 12.857 18.302 4.087 1.00 0.00 S ATOM 8 CE MET A 1 13.619 16.864 3.287 1.00 0.00 C ATOM 0 H1 MET A 1 11.793 23.480 1.262 1.00 0.00 H new ATOM 0 H2 MET A 1 10.293 23.113 1.969 1.00 0.00 H new ATOM 0 H3 MET A 1 11.704 23.096 2.914 1.00 0.00 H new ATOM 0 HA MET A 1 12.377 21.364 0.997 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.520 21.182 3.542 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.892 20.534 3.506 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.620 18.674 2.062 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.234 19.348 1.958 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.979 16.172 4.049 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.881 16.362 2.661 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.455 17.192 2.670 1.00 0.00 H new ATOM 20 N ASP A 2 10.502 20.024 -0.079 1.00 0.00 N ATOM 21 CA ASP A 2 9.426 19.357 -0.835 1.00 0.00 C ATOM 22 C ASP A 2 8.567 18.418 0.053 1.00 0.00 C ATOM 23 O ASP A 2 8.974 18.049 1.159 1.00 0.00 O ATOM 24 CB ASP A 2 10.059 18.608 -2.028 1.00 0.00 C ATOM 25 CG ASP A 2 9.120 18.430 -3.236 1.00 0.00 C ATOM 26 OD1 ASP A 2 7.891 18.633 -3.098 1.00 0.00 O ATOM 27 OD2 ASP A 2 9.624 18.091 -4.331 1.00 0.00 O ATOM 0 H ASP A 2 11.437 19.746 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 2 8.732 20.112 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.948 19.149 -2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.389 17.625 -1.691 1.00 0.00 H new ATOM 32 N TYR A 3 7.385 18.010 -0.427 1.00 0.00 N ATOM 33 CA TYR A 3 6.329 17.370 0.380 1.00 0.00 C ATOM 34 C TYR A 3 5.928 15.956 -0.064 1.00 0.00 C ATOM 35 O TYR A 3 5.200 15.263 0.644 1.00 0.00 O ATOM 36 CB TYR A 3 5.090 18.292 0.418 1.00 0.00 C ATOM 37 CG TYR A 3 4.411 18.576 -0.925 1.00 0.00 C ATOM 38 CD1 TYR A 3 4.899 19.607 -1.754 1.00 0.00 C ATOM 39 CD2 TYR A 3 3.271 17.849 -1.336 1.00 0.00 C ATOM 40 CE1 TYR A 3 4.262 19.916 -2.971 1.00 0.00 C ATOM 41 CE2 TYR A 3 2.639 18.145 -2.562 1.00 0.00 C ATOM 42 CZ TYR A 3 3.132 19.181 -3.382 1.00 0.00 C ATOM 43 OH TYR A 3 2.531 19.464 -4.572 1.00 0.00 O ATOM 0 H TYR A 3 7.127 18.116 -1.408 1.00 0.00 H new ATOM 0 HA TYR A 3 6.755 17.236 1.374 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.353 17.846 1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.386 19.244 0.859 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.772 20.166 -1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.881 17.062 -0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.640 20.717 -3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.775 17.577 -2.873 1.00 0.00 H new ATOM 0 HH TYR A 3 3.018 20.186 -5.021 1.00 0.00 H new ATOM 53 N LEU A 4 6.403 15.506 -1.223 1.00 0.00 N ATOM 54 CA LEU A 4 5.891 14.284 -1.873 1.00 0.00 C ATOM 55 C LEU A 4 6.257 13.026 -1.088 1.00 0.00 C ATOM 56 O LEU A 4 5.406 12.182 -0.815 1.00 0.00 O ATOM 57 CB LEU A 4 6.396 14.137 -3.328 1.00 0.00 C ATOM 58 CG LEU A 4 6.618 15.437 -4.111 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.078 15.126 -5.535 1.00 0.00 C ATOM 60 CD2 LEU A 4 5.356 16.295 -4.194 1.00 0.00 C ATOM 0 H LEU A 4 7.149 15.969 -1.742 1.00 0.00 H new ATOM 0 HA LEU A 4 4.806 14.392 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.336 13.586 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.680 13.526 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 4 7.381 15.995 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.232 16.058 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.013 14.567 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.318 14.531 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.570 17.203 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.567 15.734 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.030 16.561 -3.188 1.00 0.00 H new ATOM 72 N ARG A 5 7.528 12.944 -0.685 1.00 0.00 N ATOM 73 CA ARG A 5 8.094 11.862 0.138 1.00 0.00 C ATOM 74 C ARG A 5 7.358 11.676 1.471 1.00 0.00 C ATOM 75 O ARG A 5 7.201 10.544 1.925 1.00 0.00 O ATOM 76 CB ARG A 5 9.597 12.147 0.294 1.00 0.00 C ATOM 77 CG ARG A 5 10.364 11.144 1.169 1.00 0.00 C ATOM 78 CD ARG A 5 11.874 11.329 0.950 1.00 0.00 C ATOM 79 NE ARG A 5 12.670 10.751 2.052 1.00 0.00 N ATOM 80 CZ ARG A 5 13.260 11.408 3.038 1.00 0.00 C ATOM 81 NH1 ARG A 5 13.156 12.701 3.177 1.00 0.00 N ATOM 82 NH2 ARG A 5 13.978 10.773 3.918 1.00 0.00 N ATOM 0 H ARG A 5 8.219 13.653 -0.930 1.00 0.00 H new ATOM 0 HA ARG A 5 7.958 10.901 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.052 12.164 -0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.720 13.144 0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 5 10.116 11.296 2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.071 10.125 0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 5 12.164 10.860 0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.099 12.392 0.859 1.00 0.00 H new ATOM 0 HE ARG A 5 12.776 9.737 2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.604 13.243 2.512 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.626 13.170 3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.090 9.761 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.429 11.287 4.675 1.00 0.00 H new ATOM 96 N GLU A 6 6.850 12.761 2.061 1.00 0.00 N ATOM 97 CA GLU A 6 6.034 12.724 3.284 1.00 0.00 C ATOM 98 C GLU A 6 4.716 11.957 3.081 1.00 0.00 C ATOM 99 O GLU A 6 4.384 11.066 3.868 1.00 0.00 O ATOM 100 CB GLU A 6 5.795 14.163 3.781 1.00 0.00 C ATOM 101 CG GLU A 6 5.174 14.201 5.182 1.00 0.00 C ATOM 102 CD GLU A 6 5.173 15.636 5.745 1.00 0.00 C ATOM 103 OE1 GLU A 6 4.259 16.427 5.411 1.00 0.00 O ATOM 104 OE2 GLU A 6 6.087 15.981 6.534 1.00 0.00 O ATOM 0 H GLU A 6 6.994 13.704 1.700 1.00 0.00 H new ATOM 0 HA GLU A 6 6.580 12.174 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.742 14.703 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.140 14.682 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.153 13.821 5.142 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.732 13.545 5.849 1.00 0.00 H new ATOM 111 N LEU A 7 4.003 12.249 1.988 1.00 0.00 N ATOM 112 CA LEU A 7 2.816 11.510 1.555 1.00 0.00 C ATOM 113 C LEU A 7 3.137 10.050 1.202 1.00 0.00 C ATOM 114 O LEU A 7 2.552 9.149 1.794 1.00 0.00 O ATOM 115 CB LEU A 7 2.160 12.233 0.362 1.00 0.00 C ATOM 116 CG LEU A 7 1.248 13.389 0.803 1.00 0.00 C ATOM 117 CD1 LEU A 7 1.994 14.679 1.137 1.00 0.00 C ATOM 118 CD2 LEU A 7 0.231 13.704 -0.291 1.00 0.00 C ATOM 0 H LEU A 7 4.242 13.023 1.368 1.00 0.00 H new ATOM 0 HA LEU A 7 2.115 11.482 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.938 12.619 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.578 11.516 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 7 0.765 13.041 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.279 15.445 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.694 14.494 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.542 15.020 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.409 14.524 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.755 13.991 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.379 12.822 -0.485 1.00 0.00 H new ATOM 130 N TYR A 8 4.084 9.823 0.286 1.00 0.00 N ATOM 131 CA TYR A 8 4.544 8.518 -0.234 1.00 0.00 C ATOM 132 C TYR A 8 4.862 7.521 0.880 1.00 0.00 C ATOM 133 O TYR A 8 4.442 6.366 0.818 1.00 0.00 O ATOM 134 CB TYR A 8 5.834 8.812 -1.040 1.00 0.00 C ATOM 135 CG TYR A 8 6.256 7.945 -2.216 1.00 0.00 C ATOM 136 CD1 TYR A 8 6.109 6.543 -2.214 1.00 0.00 C ATOM 137 CD2 TYR A 8 6.926 8.569 -3.291 1.00 0.00 C ATOM 138 CE1 TYR A 8 6.621 5.776 -3.283 1.00 0.00 C ATOM 139 CE2 TYR A 8 7.436 7.809 -4.358 1.00 0.00 C ATOM 140 CZ TYR A 8 7.283 6.408 -4.360 1.00 0.00 C ATOM 141 OH TYR A 8 7.795 5.678 -5.388 1.00 0.00 O ATOM 0 H TYR A 8 4.589 10.597 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 8 3.758 8.065 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.747 9.832 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.660 8.803 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.604 6.055 -1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.048 9.642 -3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.506 4.702 -3.278 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.945 8.298 -5.175 1.00 0.00 H new ATOM 0 HH TYR A 8 8.214 6.279 -6.039 1.00 0.00 H new ATOM 151 N LYS A 9 5.582 7.961 1.914 1.00 0.00 N ATOM 152 CA LYS A 9 5.969 7.088 3.029 1.00 0.00 C ATOM 153 C LYS A 9 4.782 6.626 3.872 1.00 0.00 C ATOM 154 O LYS A 9 4.681 5.439 4.163 1.00 0.00 O ATOM 155 CB LYS A 9 7.069 7.773 3.858 1.00 0.00 C ATOM 156 CG LYS A 9 7.779 6.795 4.805 1.00 0.00 C ATOM 157 CD LYS A 9 8.934 7.498 5.539 1.00 0.00 C ATOM 158 CE LYS A 9 9.715 6.552 6.462 1.00 0.00 C ATOM 159 NZ LYS A 9 10.542 5.571 5.707 1.00 0.00 N ATOM 0 H LYS A 9 5.911 8.922 2.004 1.00 0.00 H new ATOM 0 HA LYS A 9 6.376 6.166 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.801 8.221 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.631 8.585 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.067 6.400 5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.163 5.946 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.616 7.928 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.535 8.325 6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.360 7.139 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.015 6.015 7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.049 4.957 6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.926 4.991 5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.230 6.079 5.115 1.00 0.00 H new ATOM 173 N LEU A 10 3.844 7.512 4.201 1.00 0.00 N ATOM 174 CA LEU A 10 2.596 7.161 4.875 1.00 0.00 C ATOM 175 C LEU A 10 1.653 6.330 3.984 1.00 0.00 C ATOM 176 O LEU A 10 1.035 5.377 4.457 1.00 0.00 O ATOM 177 CB LEU A 10 1.928 8.432 5.431 1.00 0.00 C ATOM 178 CG LEU A 10 2.640 8.948 6.700 1.00 0.00 C ATOM 179 CD1 LEU A 10 2.200 10.372 7.015 1.00 0.00 C ATOM 180 CD2 LEU A 10 2.328 8.087 7.927 1.00 0.00 C ATOM 0 H LEU A 10 3.931 8.509 4.004 1.00 0.00 H new ATOM 0 HA LEU A 10 2.834 6.509 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.937 9.210 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.883 8.222 5.661 1.00 0.00 H new ATOM 0 HG LEU A 10 3.709 8.905 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.711 10.721 7.912 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.451 11.024 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.123 10.392 7.180 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.851 8.488 8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.254 8.095 8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.657 7.064 7.746 1.00 0.00 H new ATOM 192 N GLU A 11 1.626 6.611 2.680 1.00 0.00 N ATOM 193 CA GLU A 11 1.063 5.749 1.634 1.00 0.00 C ATOM 194 C GLU A 11 1.644 4.327 1.681 1.00 0.00 C ATOM 195 O GLU A 11 0.892 3.350 1.630 1.00 0.00 O ATOM 196 CB GLU A 11 1.300 6.447 0.271 1.00 0.00 C ATOM 197 CG GLU A 11 0.042 7.122 -0.277 1.00 0.00 C ATOM 198 CD GLU A 11 -1.000 6.149 -0.841 1.00 0.00 C ATOM 199 OE1 GLU A 11 -1.715 5.388 -0.171 1.00 0.00 O ATOM 200 OE2 GLU A 11 -1.381 6.077 -2.024 1.00 0.00 O ATOM 0 H GLU A 11 2.010 7.479 2.307 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.007 5.617 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.087 7.192 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.656 5.712 -0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.418 7.708 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.331 7.821 -1.061 1.00 0.00 H new ATOM 207 N GLN A 12 2.961 4.182 1.867 1.00 0.00 N ATOM 208 CA GLN A 12 3.598 2.878 1.990 1.00 0.00 C ATOM 209 C GLN A 12 3.479 2.226 3.363 1.00 0.00 C ATOM 210 O GLN A 12 3.548 1.006 3.444 1.00 0.00 O ATOM 211 CB GLN A 12 5.060 2.983 1.563 1.00 0.00 C ATOM 212 CG GLN A 12 5.134 3.078 0.040 1.00 0.00 C ATOM 213 CD GLN A 12 6.574 3.163 -0.470 1.00 0.00 C ATOM 214 OE1 GLN A 12 7.381 3.966 -0.021 1.00 0.00 O ATOM 215 NE2 GLN A 12 6.961 2.336 -1.418 1.00 0.00 N ATOM 0 H GLN A 12 3.609 4.967 1.936 1.00 0.00 H new ATOM 0 HA GLN A 12 3.049 2.212 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.522 3.860 2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.617 2.113 1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.647 2.208 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.581 3.956 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.303 1.660 -1.805 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.919 2.371 -1.766 1.00 0.00 H new ATOM 224 N GLN A 13 3.234 2.975 4.434 1.00 0.00 N ATOM 225 CA GLN A 13 2.964 2.388 5.754 1.00 0.00 C ATOM 226 C GLN A 13 1.658 1.586 5.769 1.00 0.00 C ATOM 227 O GLN A 13 1.622 0.522 6.384 1.00 0.00 O ATOM 228 CB GLN A 13 2.955 3.472 6.848 1.00 0.00 C ATOM 229 CG GLN A 13 4.359 3.964 7.240 1.00 0.00 C ATOM 230 CD GLN A 13 5.120 2.941 8.083 1.00 0.00 C ATOM 231 OE1 GLN A 13 5.823 2.073 7.581 1.00 0.00 O ATOM 232 NE2 GLN A 13 5.010 2.994 9.395 1.00 0.00 N ATOM 0 H GLN A 13 3.216 3.995 4.419 1.00 0.00 H new ATOM 0 HA GLN A 13 3.774 1.691 5.968 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.365 4.321 6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.457 3.078 7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.929 4.183 6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.272 4.897 7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.429 3.711 9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.506 2.318 9.976 1.00 0.00 H new ATOM 241 N ALA A 14 0.621 2.015 5.036 1.00 0.00 N ATOM 242 CA ALA A 14 -0.588 1.213 4.855 1.00 0.00 C ATOM 243 C ALA A 14 -0.311 0.011 3.942 1.00 0.00 C ATOM 244 O ALA A 14 -0.702 -1.096 4.279 1.00 0.00 O ATOM 245 CB ALA A 14 -1.694 2.111 4.290 1.00 0.00 C ATOM 0 H ALA A 14 0.600 2.916 4.559 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.914 0.812 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.602 1.525 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.892 2.926 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.376 2.521 3.332 1.00 0.00 H new ATOM 251 N MET A 15 0.423 0.184 2.838 1.00 0.00 N ATOM 252 CA MET A 15 0.874 -0.915 1.962 1.00 0.00 C ATOM 253 C MET A 15 1.711 -1.982 2.701 1.00 0.00 C ATOM 254 O MET A 15 1.503 -3.177 2.482 1.00 0.00 O ATOM 255 CB MET A 15 1.678 -0.287 0.807 1.00 0.00 C ATOM 256 CG MET A 15 2.175 -1.223 -0.298 1.00 0.00 C ATOM 257 SD MET A 15 0.928 -1.823 -1.463 1.00 0.00 S ATOM 258 CE MET A 15 0.374 -3.312 -0.603 1.00 0.00 C ATOM 0 H MET A 15 0.728 1.103 2.519 1.00 0.00 H new ATOM 0 HA MET A 15 -0.001 -1.447 1.590 1.00 0.00 H new ATOM 0 HB2 MET A 15 1.058 0.481 0.344 1.00 0.00 H new ATOM 0 HB3 MET A 15 2.544 0.218 1.235 1.00 0.00 H new ATOM 0 HG2 MET A 15 2.949 -0.704 -0.863 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.647 -2.086 0.172 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.098 -4.073 -1.333 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.179 -3.689 0.027 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.491 -3.074 0.017 1.00 0.00 H new ATOM 268 N LYS A 16 2.614 -1.596 3.618 1.00 0.00 N ATOM 269 CA LYS A 16 3.410 -2.522 4.431 1.00 0.00 C ATOM 270 C LYS A 16 2.519 -3.259 5.424 1.00 0.00 C ATOM 271 O LYS A 16 2.630 -4.474 5.583 1.00 0.00 O ATOM 272 CB LYS A 16 4.500 -1.695 5.135 1.00 0.00 C ATOM 273 CG LYS A 16 5.779 -2.484 5.449 1.00 0.00 C ATOM 274 CD LYS A 16 5.703 -3.316 6.736 1.00 0.00 C ATOM 275 CE LYS A 16 6.711 -4.465 6.688 1.00 0.00 C ATOM 276 NZ LYS A 16 8.120 -4.004 6.819 1.00 0.00 N ATOM 0 H LYS A 16 2.812 -0.615 3.816 1.00 0.00 H new ATOM 0 HA LYS A 16 3.878 -3.287 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.757 -0.842 4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.095 -1.296 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.998 -3.148 4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.613 -1.786 5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.906 -2.682 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.695 -3.713 6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.489 -5.171 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.596 -5.004 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.759 -4.824 6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.346 -3.352 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.242 -3.514 7.728 1.00 0.00 H new ATOM 290 N LEU A 17 1.583 -2.532 6.032 1.00 0.00 N ATOM 291 CA LEU A 17 0.548 -3.105 6.881 1.00 0.00 C ATOM 292 C LEU A 17 -0.336 -4.099 6.112 1.00 0.00 C ATOM 293 O LEU A 17 -0.563 -5.196 6.605 1.00 0.00 O ATOM 294 CB LEU A 17 -0.239 -1.940 7.505 1.00 0.00 C ATOM 295 CG LEU A 17 0.314 -1.479 8.864 1.00 0.00 C ATOM 296 CD1 LEU A 17 -0.462 -0.250 9.325 1.00 0.00 C ATOM 297 CD2 LEU A 17 0.193 -2.539 9.966 1.00 0.00 C ATOM 0 H LEU A 17 1.524 -1.517 5.946 1.00 0.00 H new ATOM 0 HA LEU A 17 0.991 -3.699 7.680 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.231 -1.097 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.279 -2.241 7.629 1.00 0.00 H new ATOM 0 HG LEU A 17 1.373 -1.272 8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.076 0.084 10.288 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.348 0.549 8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.518 -0.503 9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.603 -2.145 10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.857 -2.795 10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.747 -3.431 9.675 1.00 0.00 H new ATOM 309 N TYR A 18 -0.745 -3.788 4.880 1.00 0.00 N ATOM 310 CA TYR A 18 -1.479 -4.666 3.967 1.00 0.00 C ATOM 311 C TYR A 18 -0.731 -5.962 3.615 1.00 0.00 C ATOM 312 O TYR A 18 -1.355 -7.028 3.574 1.00 0.00 O ATOM 313 CB TYR A 18 -1.874 -3.837 2.721 1.00 0.00 C ATOM 314 CG TYR A 18 -3.213 -3.132 2.871 1.00 0.00 C ATOM 315 CD1 TYR A 18 -4.358 -3.880 3.207 1.00 0.00 C ATOM 316 CD2 TYR A 18 -3.309 -1.733 2.737 1.00 0.00 C ATOM 317 CE1 TYR A 18 -5.561 -3.226 3.530 1.00 0.00 C ATOM 318 CE2 TYR A 18 -4.511 -1.073 3.052 1.00 0.00 C ATOM 319 CZ TYR A 18 -5.623 -1.817 3.503 1.00 0.00 C ATOM 320 OH TYR A 18 -6.758 -1.179 3.894 1.00 0.00 O ATOM 0 H TYR A 18 -0.564 -2.871 4.472 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.377 -5.024 4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.100 -3.095 2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.912 -4.494 1.852 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.312 -4.959 3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.458 -1.165 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.435 -3.801 3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.583 -0.000 2.949 1.00 0.00 H new ATOM 0 HH TYR A 18 -6.632 -0.210 3.815 1.00 0.00 H new ATOM 330 N ARG A 19 0.600 -5.915 3.447 1.00 0.00 N ATOM 331 CA ARG A 19 1.448 -7.107 3.237 1.00 0.00 C ATOM 332 C ARG A 19 1.355 -8.111 4.395 1.00 0.00 C ATOM 333 O ARG A 19 1.264 -9.315 4.164 1.00 0.00 O ATOM 334 CB ARG A 19 2.905 -6.660 3.014 1.00 0.00 C ATOM 335 CG ARG A 19 3.787 -7.771 2.422 1.00 0.00 C ATOM 336 CD ARG A 19 5.257 -7.320 2.334 1.00 0.00 C ATOM 337 NE ARG A 19 5.876 -7.675 1.042 1.00 0.00 N ATOM 338 CZ ARG A 19 6.316 -8.857 0.645 1.00 0.00 C ATOM 339 NH1 ARG A 19 6.251 -9.919 1.398 1.00 0.00 N ATOM 340 NH2 ARG A 19 6.838 -8.992 -0.541 1.00 0.00 N ATOM 0 H ARG A 19 1.126 -5.041 3.453 1.00 0.00 H new ATOM 0 HA ARG A 19 1.081 -7.628 2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.917 -5.799 2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.329 -6.333 3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.714 -8.666 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.425 -8.038 1.429 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.313 -6.241 2.477 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.824 -7.778 3.144 1.00 0.00 H new ATOM 0 HE ARG A 19 5.977 -6.913 0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.849 -9.857 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.602 -10.812 1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.907 -8.186 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.178 -9.903 -0.848 1.00 0.00 H new ATOM 354 N GLU A 20 1.350 -7.621 5.634 1.00 0.00 N ATOM 355 CA GLU A 20 1.411 -8.444 6.853 1.00 0.00 C ATOM 356 C GLU A 20 0.036 -8.758 7.450 1.00 0.00 C ATOM 357 O GLU A 20 -0.156 -9.800 8.079 1.00 0.00 O ATOM 358 CB GLU A 20 2.239 -7.679 7.894 1.00 0.00 C ATOM 359 CG GLU A 20 3.255 -8.553 8.639 1.00 0.00 C ATOM 360 CD GLU A 20 4.470 -8.896 7.754 1.00 0.00 C ATOM 361 OE1 GLU A 20 4.437 -9.931 7.044 1.00 0.00 O ATOM 362 OE2 GLU A 20 5.469 -8.136 7.767 1.00 0.00 O ATOM 0 H GLU A 20 1.303 -6.621 5.828 1.00 0.00 H new ATOM 0 HA GLU A 20 1.859 -9.400 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.768 -6.866 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.564 -7.224 8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.593 -8.034 9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.772 -9.474 8.967 1.00 0.00 H new ATOM 369 N ALA A 21 -0.935 -7.877 7.226 1.00 0.00 N ATOM 370 CA ALA A 21 -2.355 -8.128 7.458 1.00 0.00 C ATOM 371 C ALA A 21 -2.865 -9.312 6.623 1.00 0.00 C ATOM 372 O ALA A 21 -3.706 -10.064 7.104 1.00 0.00 O ATOM 373 CB ALA A 21 -3.151 -6.855 7.156 1.00 0.00 C ATOM 0 H ALA A 21 -0.750 -6.940 6.867 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.495 -8.398 8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.211 -7.039 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.812 -6.050 7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.997 -6.568 6.116 1.00 0.00 H new ATOM 379 N SER A 22 -2.313 -9.540 5.423 1.00 0.00 N ATOM 380 CA SER A 22 -2.562 -10.755 4.628 1.00 0.00 C ATOM 381 C SER A 22 -2.212 -12.063 5.371 1.00 0.00 C ATOM 382 O SER A 22 -2.889 -13.076 5.195 1.00 0.00 O ATOM 383 CB SER A 22 -1.794 -10.667 3.303 1.00 0.00 C ATOM 384 OG SER A 22 -2.337 -11.559 2.343 1.00 0.00 O ATOM 0 H SER A 22 -1.676 -8.883 4.972 1.00 0.00 H new ATOM 0 HA SER A 22 -3.635 -10.797 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.835 -9.647 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.743 -10.903 3.471 1.00 0.00 H new ATOM 0 HG SER A 22 -1.833 -11.485 1.506 1.00 0.00 H new ATOM 390 N GLU A 23 -1.207 -12.049 6.261 1.00 0.00 N ATOM 391 CA GLU A 23 -0.854 -13.189 7.132 1.00 0.00 C ATOM 392 C GLU A 23 -1.939 -13.483 8.182 1.00 0.00 C ATOM 393 O GLU A 23 -2.255 -14.643 8.449 1.00 0.00 O ATOM 394 CB GLU A 23 0.466 -12.877 7.841 1.00 0.00 C ATOM 395 CG GLU A 23 1.168 -14.117 8.409 1.00 0.00 C ATOM 396 CD GLU A 23 2.443 -13.732 9.186 1.00 0.00 C ATOM 397 OE1 GLU A 23 2.348 -12.911 10.133 1.00 0.00 O ATOM 398 OE2 GLU A 23 3.538 -14.257 8.869 1.00 0.00 O ATOM 0 H GLU A 23 -0.607 -11.236 6.400 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.762 -14.075 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.136 -12.380 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.275 -12.174 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.486 -14.654 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.426 -14.796 7.596 1.00 0.00 H new ATOM 405 N LYS A 24 -2.531 -12.430 8.765 1.00 0.00 N ATOM 406 CA LYS A 24 -3.703 -12.552 9.657 1.00 0.00 C ATOM 407 C LYS A 24 -4.945 -12.995 8.869 1.00 0.00 C ATOM 408 O LYS A 24 -5.577 -13.992 9.224 1.00 0.00 O ATOM 409 CB LYS A 24 -3.998 -11.236 10.406 1.00 0.00 C ATOM 410 CG LYS A 24 -3.100 -10.895 11.610 1.00 0.00 C ATOM 411 CD LYS A 24 -1.722 -10.306 11.269 1.00 0.00 C ATOM 412 CE LYS A 24 -0.619 -11.369 11.242 1.00 0.00 C ATOM 413 NZ LYS A 24 0.671 -10.789 10.788 1.00 0.00 N ATOM 0 H LYS A 24 -2.214 -11.469 8.634 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.460 -13.313 10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.929 -10.417 9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.031 -11.269 10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.630 -10.186 12.246 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.952 -11.801 12.197 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.771 -9.814 10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.466 -9.541 12.002 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.498 -11.798 12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.910 -12.182 10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.379 -11.545 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.538 -10.327 9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.000 -10.088 11.482 1.00 0.00 H new ATOM 427 N ALA A 25 -5.240 -12.321 7.756 1.00 0.00 N ATOM 428 CA ALA A 25 -6.308 -12.594 6.784 1.00 0.00 C ATOM 429 C ALA A 25 -6.064 -13.849 5.908 1.00 0.00 C ATOM 430 O ALA A 25 -6.430 -13.887 4.732 1.00 0.00 O ATOM 431 CB ALA A 25 -6.509 -11.335 5.928 1.00 0.00 C ATOM 0 H ALA A 25 -4.695 -11.502 7.486 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.216 -12.830 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.298 -11.514 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.790 -10.500 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.581 -11.096 5.408 1.00 0.00 H new ATOM 437 N ARG A 26 -5.443 -14.889 6.478 1.00 0.00 N ATOM 438 CA ARG A 26 -5.192 -16.200 5.852 1.00 0.00 C ATOM 439 C ARG A 26 -6.459 -16.923 5.357 1.00 0.00 C ATOM 440 O ARG A 26 -6.376 -17.750 4.449 1.00 0.00 O ATOM 441 CB ARG A 26 -4.375 -17.038 6.852 1.00 0.00 C ATOM 442 CG ARG A 26 -5.180 -17.441 8.108 1.00 0.00 C ATOM 443 CD ARG A 26 -4.351 -17.330 9.393 1.00 0.00 C ATOM 444 NE ARG A 26 -5.090 -17.861 10.557 1.00 0.00 N ATOM 445 CZ ARG A 26 -6.021 -17.252 11.273 1.00 0.00 C ATOM 446 NH1 ARG A 26 -6.402 -16.025 11.051 1.00 0.00 N ATOM 447 NH2 ARG A 26 -6.608 -17.885 12.248 1.00 0.00 N ATOM 0 H ARG A 26 -5.084 -14.841 7.432 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.627 -16.048 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.016 -17.939 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.496 -16.471 7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.061 -16.805 8.191 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.536 -18.465 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.416 -17.877 9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.090 -16.287 9.571 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.854 -18.811 10.843 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.977 -15.488 10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.125 -15.602 11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.350 -18.849 12.459 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.326 -17.417 12.801 1.00 0.00 H new ATOM 461 N ASN A 27 -7.626 -16.602 5.927 1.00 0.00 N ATOM 462 CA ASN A 27 -8.940 -17.040 5.445 1.00 0.00 C ATOM 463 C ASN A 27 -9.271 -16.373 4.086 1.00 0.00 C ATOM 464 O ASN A 27 -9.207 -15.143 3.986 1.00 0.00 O ATOM 465 CB ASN A 27 -9.986 -16.692 6.523 1.00 0.00 C ATOM 466 CG ASN A 27 -11.385 -17.155 6.148 1.00 0.00 C ATOM 467 OD1 ASN A 27 -11.978 -16.694 5.183 1.00 0.00 O ATOM 468 ND2 ASN A 27 -11.955 -18.089 6.874 1.00 0.00 N ATOM 0 H ASN A 27 -7.684 -16.014 6.759 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.944 -18.117 5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.696 -17.151 7.468 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.994 -15.614 6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -12.887 -18.426 6.632 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -11.466 -18.478 7.680 1.00 0.00 H new ATOM 475 N PRO A 28 -9.669 -17.134 3.046 1.00 0.00 N ATOM 476 CA PRO A 28 -9.802 -16.619 1.682 1.00 0.00 C ATOM 477 C PRO A 28 -10.901 -15.557 1.514 1.00 0.00 C ATOM 478 O PRO A 28 -10.825 -14.752 0.585 1.00 0.00 O ATOM 479 CB PRO A 28 -10.048 -17.846 0.797 1.00 0.00 C ATOM 480 CG PRO A 28 -10.681 -18.856 1.750 1.00 0.00 C ATOM 481 CD PRO A 28 -9.996 -18.552 3.081 1.00 0.00 C ATOM 0 HA PRO A 28 -8.895 -16.085 1.399 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.710 -17.612 -0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.119 -18.225 0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.762 -18.728 1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.500 -19.882 1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.653 -18.781 3.920 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.098 -19.157 3.205 1.00 0.00 H new ATOM 489 N GLU A 29 -11.892 -15.502 2.412 1.00 0.00 N ATOM 490 CA GLU A 29 -13.004 -14.541 2.326 1.00 0.00 C ATOM 491 C GLU A 29 -12.517 -13.094 2.479 1.00 0.00 C ATOM 492 O GLU A 29 -12.835 -12.216 1.676 1.00 0.00 O ATOM 493 CB GLU A 29 -14.047 -14.884 3.405 1.00 0.00 C ATOM 494 CG GLU A 29 -15.423 -14.252 3.163 1.00 0.00 C ATOM 495 CD GLU A 29 -16.163 -14.918 1.985 1.00 0.00 C ATOM 496 OE1 GLU A 29 -16.839 -15.957 2.196 1.00 0.00 O ATOM 497 OE2 GLU A 29 -16.084 -14.409 0.841 1.00 0.00 O ATOM 0 H GLU A 29 -11.948 -16.122 3.220 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.458 -14.619 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.160 -15.967 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.673 -14.556 4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.026 -14.339 4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.303 -13.188 2.961 1.00 0.00 H new ATOM 504 N LYS A 30 -11.674 -12.878 3.490 1.00 0.00 N ATOM 505 CA LYS A 30 -10.933 -11.634 3.741 1.00 0.00 C ATOM 506 C LYS A 30 -9.781 -11.442 2.759 1.00 0.00 C ATOM 507 O LYS A 30 -9.526 -10.308 2.355 1.00 0.00 O ATOM 508 CB LYS A 30 -10.438 -11.647 5.202 1.00 0.00 C ATOM 509 CG LYS A 30 -9.980 -10.272 5.724 1.00 0.00 C ATOM 510 CD LYS A 30 -11.119 -9.278 6.022 1.00 0.00 C ATOM 511 CE LYS A 30 -11.626 -9.321 7.476 1.00 0.00 C ATOM 512 NZ LYS A 30 -12.403 -10.548 7.803 1.00 0.00 N ATOM 0 H LYS A 30 -11.478 -13.595 4.189 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.599 -10.785 3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.238 -12.018 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.610 -12.350 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.400 -10.420 6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.311 -9.825 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.774 -8.269 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.953 -9.486 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.773 -9.251 8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.250 -8.447 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.867 -10.429 8.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.124 -10.708 7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.761 -11.365 7.841 1.00 0.00 H new ATOM 526 N LYS A 31 -9.123 -12.525 2.328 1.00 0.00 N ATOM 527 CA LYS A 31 -7.947 -12.471 1.442 1.00 0.00 C ATOM 528 C LYS A 31 -8.292 -11.781 0.123 1.00 0.00 C ATOM 529 O LYS A 31 -7.660 -10.805 -0.264 1.00 0.00 O ATOM 530 CB LYS A 31 -7.347 -13.880 1.264 1.00 0.00 C ATOM 531 CG LYS A 31 -5.823 -13.921 1.073 1.00 0.00 C ATOM 532 CD LYS A 31 -5.340 -13.120 -0.142 1.00 0.00 C ATOM 533 CE LYS A 31 -3.851 -13.337 -0.453 1.00 0.00 C ATOM 534 NZ LYS A 31 -3.570 -14.693 -0.999 1.00 0.00 N ATOM 0 H LYS A 31 -9.392 -13.474 2.585 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.171 -11.861 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.604 -14.480 2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.818 -14.352 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.341 -13.532 1.970 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.506 -14.958 0.965 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.932 -13.401 -1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.517 -12.059 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.520 -12.585 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.269 -13.188 0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.561 -14.768 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.811 -15.411 -0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.141 -14.848 -1.854 1.00 0.00 H new ATOM 548 N SER A 32 -9.388 -12.198 -0.492 1.00 0.00 N ATOM 549 CA SER A 32 -9.909 -11.607 -1.734 1.00 0.00 C ATOM 550 C SER A 32 -10.656 -10.273 -1.554 1.00 0.00 C ATOM 551 O SER A 32 -11.216 -9.750 -2.519 1.00 0.00 O ATOM 552 CB SER A 32 -10.788 -12.627 -2.471 1.00 0.00 C ATOM 553 OG SER A 32 -10.042 -13.799 -2.769 1.00 0.00 O ATOM 0 H SER A 32 -9.957 -12.970 -0.143 1.00 0.00 H new ATOM 0 HA SER A 32 -9.033 -11.358 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.651 -12.884 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.171 -12.188 -3.392 1.00 0.00 H new ATOM 0 HG SER A 32 -10.615 -14.441 -3.237 1.00 0.00 H new ATOM 559 N VAL A 33 -10.633 -9.686 -0.350 1.00 0.00 N ATOM 560 CA VAL A 33 -11.150 -8.335 -0.063 1.00 0.00 C ATOM 561 C VAL A 33 -9.998 -7.373 0.218 1.00 0.00 C ATOM 562 O VAL A 33 -9.888 -6.368 -0.490 1.00 0.00 O ATOM 563 CB VAL A 33 -12.187 -8.352 1.080 1.00 0.00 C ATOM 564 CG1 VAL A 33 -12.587 -6.944 1.541 1.00 0.00 C ATOM 565 CG2 VAL A 33 -13.468 -9.059 0.617 1.00 0.00 C ATOM 0 H VAL A 33 -10.246 -10.146 0.474 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.675 -7.975 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.713 -8.876 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.318 -7.019 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.705 -6.414 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -13.023 -6.397 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.194 -9.066 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.887 -8.529 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.234 -10.084 0.330 1.00 0.00 H new ATOM 575 N LEU A 34 -9.079 -7.675 1.151 1.00 0.00 N ATOM 576 CA LEU A 34 -7.912 -6.811 1.350 1.00 0.00 C ATOM 577 C LEU A 34 -6.935 -6.845 0.150 1.00 0.00 C ATOM 578 O LEU A 34 -6.212 -5.873 -0.063 1.00 0.00 O ATOM 579 CB LEU A 34 -7.299 -7.000 2.756 1.00 0.00 C ATOM 580 CG LEU A 34 -6.109 -7.950 2.834 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.355 -7.800 4.156 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.493 -9.412 2.692 1.00 0.00 C ATOM 0 H LEU A 34 -9.121 -8.490 1.763 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.240 -5.772 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.988 -6.025 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.077 -7.366 3.426 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.477 -7.667 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.514 -8.493 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.986 -6.779 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.027 -8.022 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.598 -10.031 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.183 -9.686 3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.974 -9.570 1.727 1.00 0.00 H new ATOM 594 N GLN A 35 -6.953 -7.896 -0.690 1.00 0.00 N ATOM 595 CA GLN A 35 -6.162 -7.926 -1.929 1.00 0.00 C ATOM 596 C GLN A 35 -6.582 -6.851 -2.943 1.00 0.00 C ATOM 597 O GLN A 35 -5.721 -6.324 -3.646 1.00 0.00 O ATOM 598 CB GLN A 35 -6.203 -9.334 -2.549 1.00 0.00 C ATOM 599 CG GLN A 35 -5.362 -9.468 -3.831 1.00 0.00 C ATOM 600 CD GLN A 35 -5.273 -10.902 -4.359 1.00 0.00 C ATOM 601 OE1 GLN A 35 -5.998 -11.807 -3.966 1.00 0.00 O ATOM 602 NE2 GLN A 35 -4.370 -11.170 -5.279 1.00 0.00 N ATOM 0 H GLN A 35 -7.509 -8.736 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.133 -7.687 -1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.847 -10.056 -1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.238 -9.592 -2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.790 -8.831 -4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.355 -9.099 -3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.755 -10.431 -5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.285 -12.116 -5.650 1.00 0.00 H new ATOM 611 N LYS A 36 -7.865 -6.476 -3.018 1.00 0.00 N ATOM 612 CA LYS A 36 -8.332 -5.448 -3.968 1.00 0.00 C ATOM 613 C LYS A 36 -7.802 -4.056 -3.621 1.00 0.00 C ATOM 614 O LYS A 36 -7.368 -3.324 -4.510 1.00 0.00 O ATOM 615 CB LYS A 36 -9.870 -5.477 -4.032 1.00 0.00 C ATOM 616 CG LYS A 36 -10.415 -4.700 -5.240 1.00 0.00 C ATOM 617 CD LYS A 36 -11.951 -4.744 -5.268 1.00 0.00 C ATOM 618 CE LYS A 36 -12.537 -4.047 -6.503 1.00 0.00 C ATOM 619 NZ LYS A 36 -12.314 -4.824 -7.754 1.00 0.00 N ATOM 0 H LYS A 36 -8.603 -6.868 -2.433 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.932 -5.680 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.210 -6.511 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.278 -5.053 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.077 -3.665 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.017 -5.125 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.282 -5.782 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.341 -4.269 -4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.607 -3.896 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.087 -3.060 -6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.728 -4.312 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.293 -4.946 -7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.765 -5.757 -7.668 1.00 0.00 H new ATOM 633 N ILE A 37 -7.742 -3.736 -2.325 1.00 0.00 N ATOM 634 CA ILE A 37 -6.986 -2.583 -1.824 1.00 0.00 C ATOM 635 C ILE A 37 -5.508 -2.763 -2.163 1.00 0.00 C ATOM 636 O ILE A 37 -4.961 -1.871 -2.786 1.00 0.00 O ATOM 637 CB ILE A 37 -7.172 -2.405 -0.299 1.00 0.00 C ATOM 638 CG1 ILE A 37 -8.632 -2.154 0.102 1.00 0.00 C ATOM 639 CG2 ILE A 37 -6.224 -1.304 0.205 1.00 0.00 C ATOM 640 CD1 ILE A 37 -8.915 -2.079 1.608 1.00 0.00 C ATOM 0 H ILE A 37 -8.215 -4.268 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.365 -1.682 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.909 -3.344 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.958 -1.220 -0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.246 -2.948 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.353 -1.177 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.193 -1.587 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.453 -0.367 -0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.978 -1.899 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.631 -3.020 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.338 -1.265 2.047 1.00 0.00 H new ATOM 652 N LEU A 38 -4.853 -3.883 -1.833 1.00 0.00 N ATOM 653 CA LEU A 38 -3.419 -4.040 -2.127 1.00 0.00 C ATOM 654 C LEU A 38 -3.087 -3.847 -3.630 1.00 0.00 C ATOM 655 O LEU A 38 -2.081 -3.212 -3.948 1.00 0.00 O ATOM 656 CB LEU A 38 -2.838 -5.270 -1.391 1.00 0.00 C ATOM 657 CG LEU A 38 -2.430 -6.462 -2.258 1.00 0.00 C ATOM 658 CD1 LEU A 38 -1.067 -6.321 -2.946 1.00 0.00 C ATOM 659 CD2 LEU A 38 -2.321 -7.729 -1.400 1.00 0.00 C ATOM 0 H LEU A 38 -5.283 -4.684 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.855 -3.212 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.964 -4.946 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.577 -5.613 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.209 -6.513 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.864 -7.214 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.077 -5.448 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.289 -6.201 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.030 -8.570 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.570 -7.579 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.285 -7.939 -0.937 1.00 0.00 H new ATOM 671 N GLU A 39 -3.965 -4.265 -4.554 1.00 0.00 N ATOM 672 CA GLU A 39 -3.808 -4.009 -5.997 1.00 0.00 C ATOM 673 C GLU A 39 -3.935 -2.521 -6.374 1.00 0.00 C ATOM 674 O GLU A 39 -3.122 -2.002 -7.141 1.00 0.00 O ATOM 675 CB GLU A 39 -4.824 -4.859 -6.791 1.00 0.00 C ATOM 676 CG GLU A 39 -4.179 -5.711 -7.891 1.00 0.00 C ATOM 677 CD GLU A 39 -3.615 -4.872 -9.055 1.00 0.00 C ATOM 678 OE1 GLU A 39 -4.412 -4.296 -9.835 1.00 0.00 O ATOM 679 OE2 GLU A 39 -2.373 -4.828 -9.227 1.00 0.00 O ATOM 0 H GLU A 39 -4.807 -4.792 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.791 -4.300 -6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.357 -5.513 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.565 -4.199 -7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.375 -6.306 -7.457 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.918 -6.411 -8.281 1.00 0.00 H new ATOM 686 N ASP A 40 -4.907 -1.811 -5.800 1.00 0.00 N ATOM 687 CA ASP A 40 -5.058 -0.362 -5.901 1.00 0.00 C ATOM 688 C ASP A 40 -3.879 0.396 -5.272 1.00 0.00 C ATOM 689 O ASP A 40 -3.462 1.447 -5.756 1.00 0.00 O ATOM 690 CB ASP A 40 -6.335 0.000 -5.129 1.00 0.00 C ATOM 691 CG ASP A 40 -7.649 -0.030 -5.921 1.00 0.00 C ATOM 692 OD1 ASP A 40 -7.671 -0.357 -7.132 1.00 0.00 O ATOM 693 OD2 ASP A 40 -8.676 0.298 -5.284 1.00 0.00 O ATOM 0 H ASP A 40 -5.635 -2.245 -5.233 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.100 -0.080 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.429 -0.685 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.210 1.000 -4.714 1.00 0.00 H new ATOM 698 N GLU A 41 -3.346 -0.124 -4.172 1.00 0.00 N ATOM 699 CA GLU A 41 -2.452 0.597 -3.277 1.00 0.00 C ATOM 700 C GLU A 41 -1.006 0.525 -3.788 1.00 0.00 C ATOM 701 O GLU A 41 -0.280 1.516 -3.735 1.00 0.00 O ATOM 702 CB GLU A 41 -2.659 0.007 -1.870 1.00 0.00 C ATOM 703 CG GLU A 41 -2.286 0.900 -0.700 1.00 0.00 C ATOM 704 CD GLU A 41 -3.163 2.157 -0.642 1.00 0.00 C ATOM 705 OE1 GLU A 41 -2.811 3.173 -1.286 1.00 0.00 O ATOM 706 OE2 GLU A 41 -4.245 2.182 0.005 1.00 0.00 O ATOM 0 H GLU A 41 -3.529 -1.082 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.675 1.663 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.708 -0.270 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.078 -0.912 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.388 0.342 0.231 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.239 1.191 -0.784 1.00 0.00 H new ATOM 713 N GLU A 42 -0.631 -0.591 -4.422 1.00 0.00 N ATOM 714 CA GLU A 42 0.572 -0.700 -5.252 1.00 0.00 C ATOM 715 C GLU A 42 0.543 0.271 -6.453 1.00 0.00 C ATOM 716 O GLU A 42 1.572 0.846 -6.821 1.00 0.00 O ATOM 717 CB GLU A 42 0.712 -2.160 -5.726 1.00 0.00 C ATOM 718 CG GLU A 42 2.077 -2.417 -6.381 1.00 0.00 C ATOM 719 CD GLU A 42 2.272 -3.908 -6.718 1.00 0.00 C ATOM 720 OE1 GLU A 42 2.730 -4.679 -5.840 1.00 0.00 O ATOM 721 OE2 GLU A 42 1.998 -4.316 -7.873 1.00 0.00 O ATOM 0 H GLU A 42 -1.165 -1.459 -4.371 1.00 0.00 H new ATOM 0 HA GLU A 42 1.437 -0.418 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.584 -2.832 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.082 -2.389 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.162 -1.823 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.871 -2.088 -5.710 1.00 0.00 H new ATOM 728 N LYS A 43 -0.638 0.497 -7.046 1.00 0.00 N ATOM 729 CA LYS A 43 -0.818 1.370 -8.219 1.00 0.00 C ATOM 730 C LYS A 43 -0.502 2.837 -7.925 1.00 0.00 C ATOM 731 O LYS A 43 0.119 3.509 -8.744 1.00 0.00 O ATOM 732 CB LYS A 43 -2.247 1.217 -8.773 1.00 0.00 C ATOM 733 CG LYS A 43 -2.315 1.330 -10.303 1.00 0.00 C ATOM 734 CD LYS A 43 -1.755 0.086 -11.013 1.00 0.00 C ATOM 735 CE LYS A 43 -1.877 0.237 -12.535 1.00 0.00 C ATOM 736 NZ LYS A 43 -1.364 -0.964 -13.245 1.00 0.00 N ATOM 0 H LYS A 43 -1.508 0.074 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.100 1.049 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.647 0.250 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.886 1.981 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.351 1.482 -10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.757 2.209 -10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.710 -0.058 -10.738 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.296 -0.802 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.921 0.401 -12.803 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.323 1.117 -12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.461 -0.828 -14.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.361 -1.105 -13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.910 -1.800 -12.953 1.00 0.00 H new ATOM 750 N HIS A 44 -0.848 3.333 -6.735 1.00 0.00 N ATOM 751 CA HIS A 44 -0.513 4.664 -6.274 1.00 0.00 C ATOM 752 C HIS A 44 0.995 4.885 -6.202 1.00 0.00 C ATOM 753 O HIS A 44 1.483 5.922 -6.639 1.00 0.00 O ATOM 754 CB HIS A 44 -1.129 4.803 -4.886 1.00 0.00 C ATOM 755 CG HIS A 44 -2.628 4.702 -4.806 1.00 0.00 C ATOM 756 ND1 HIS A 44 -3.366 4.630 -3.614 1.00 0.00 N ATOM 757 CD2 HIS A 44 -3.478 4.652 -5.870 1.00 0.00 C ATOM 758 CE1 HIS A 44 -4.651 4.503 -4.017 1.00 0.00 C ATOM 759 NE2 HIS A 44 -4.737 4.503 -5.357 1.00 0.00 N ATOM 0 H HIS A 44 -1.384 2.797 -6.053 1.00 0.00 H new ATOM 0 HA HIS A 44 -0.898 5.409 -6.971 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.700 4.034 -4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.829 5.767 -4.474 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.210 4.717 -6.914 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.495 4.414 -3.350 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.595 4.408 -5.900 1.00 0.00 H new ATOM 767 N ILE A 45 1.734 3.898 -5.691 1.00 0.00 N ATOM 768 CA ILE A 45 3.198 3.924 -5.604 1.00 0.00 C ATOM 769 C ILE A 45 3.846 3.989 -6.999 1.00 0.00 C ATOM 770 O ILE A 45 4.822 4.718 -7.164 1.00 0.00 O ATOM 771 CB ILE A 45 3.678 2.738 -4.728 1.00 0.00 C ATOM 772 CG1 ILE A 45 3.721 3.117 -3.229 1.00 0.00 C ATOM 773 CG2 ILE A 45 5.072 2.223 -5.114 1.00 0.00 C ATOM 774 CD1 ILE A 45 2.371 3.435 -2.574 1.00 0.00 C ATOM 0 H ILE A 45 1.325 3.041 -5.319 1.00 0.00 H new ATOM 0 HA ILE A 45 3.528 4.838 -5.110 1.00 0.00 H new ATOM 0 HB ILE A 45 2.946 1.950 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.183 2.296 -2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.371 3.984 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.347 1.394 -4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.060 1.882 -6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.800 3.027 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.526 3.686 -1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.909 4.279 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.718 2.565 -2.646 1.00 0.00 H new ATOM 786 N GLU A 46 3.296 3.330 -8.028 1.00 0.00 N ATOM 787 CA GLU A 46 3.768 3.485 -9.410 1.00 0.00 C ATOM 788 C GLU A 46 3.615 4.923 -9.931 1.00 0.00 C ATOM 789 O GLU A 46 4.532 5.462 -10.548 1.00 0.00 O ATOM 790 CB GLU A 46 3.011 2.524 -10.339 1.00 0.00 C ATOM 791 CG GLU A 46 3.470 1.066 -10.250 1.00 0.00 C ATOM 792 CD GLU A 46 4.851 0.861 -10.904 1.00 0.00 C ATOM 793 OE1 GLU A 46 4.919 0.698 -12.147 1.00 0.00 O ATOM 794 OE2 GLU A 46 5.879 0.853 -10.184 1.00 0.00 O ATOM 0 H GLU A 46 2.517 2.679 -7.927 1.00 0.00 H new ATOM 0 HA GLU A 46 4.832 3.247 -9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.948 2.573 -10.104 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.126 2.866 -11.367 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.514 0.762 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.737 0.424 -10.738 1.00 0.00 H new ATOM 801 N TRP A 47 2.478 5.568 -9.659 1.00 0.00 N ATOM 802 CA TRP A 47 2.212 6.943 -10.077 1.00 0.00 C ATOM 803 C TRP A 47 3.076 7.948 -9.308 1.00 0.00 C ATOM 804 O TRP A 47 3.634 8.873 -9.897 1.00 0.00 O ATOM 805 CB TRP A 47 0.733 7.253 -9.838 1.00 0.00 C ATOM 806 CG TRP A 47 -0.302 6.328 -10.407 1.00 0.00 C ATOM 807 CD1 TRP A 47 -0.140 5.409 -11.386 1.00 0.00 C ATOM 808 CD2 TRP A 47 -1.695 6.216 -9.993 1.00 0.00 C ATOM 809 NE1 TRP A 47 -1.341 4.758 -11.616 1.00 0.00 N ATOM 810 CE2 TRP A 47 -2.334 5.204 -10.766 1.00 0.00 C ATOM 811 CE3 TRP A 47 -2.471 6.868 -9.019 1.00 0.00 C ATOM 812 CZ2 TRP A 47 -3.681 4.859 -10.570 1.00 0.00 C ATOM 813 CZ3 TRP A 47 -3.823 6.542 -8.809 1.00 0.00 C ATOM 814 CH2 TRP A 47 -4.428 5.532 -9.582 1.00 0.00 C ATOM 0 H TRP A 47 1.710 5.145 -9.138 1.00 0.00 H new ATOM 0 HA TRP A 47 2.459 7.035 -11.135 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.576 7.300 -8.760 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.537 8.250 -10.233 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.784 5.213 -11.909 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.475 4.038 -12.326 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -2.017 7.640 -8.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.140 4.087 -11.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.396 7.065 -8.057 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.464 5.273 -9.418 1.00 0.00 H new ATOM 825 N LEU A 48 3.231 7.731 -8.001 1.00 0.00 N ATOM 826 CA LEU A 48 4.157 8.449 -7.130 1.00 0.00 C ATOM 827 C LEU A 48 5.595 8.376 -7.660 1.00 0.00 C ATOM 828 O LEU A 48 6.276 9.396 -7.712 1.00 0.00 O ATOM 829 CB LEU A 48 4.020 7.862 -5.714 1.00 0.00 C ATOM 830 CG LEU A 48 2.802 8.389 -4.938 1.00 0.00 C ATOM 831 CD1 LEU A 48 2.547 7.522 -3.704 1.00 0.00 C ATOM 832 CD2 LEU A 48 3.008 9.830 -4.464 1.00 0.00 C ATOM 0 H LEU A 48 2.693 7.022 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 48 3.910 9.510 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.951 6.777 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.924 8.087 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 48 1.953 8.354 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.682 7.905 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.355 6.495 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.422 7.547 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.124 10.164 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.877 9.876 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.169 10.477 -5.326 1.00 0.00 H new ATOM 844 N GLU A 49 6.032 7.214 -8.145 1.00 0.00 N ATOM 845 CA GLU A 49 7.327 7.044 -8.822 1.00 0.00 C ATOM 846 C GLU A 49 7.418 7.851 -10.127 1.00 0.00 C ATOM 847 O GLU A 49 8.382 8.599 -10.307 1.00 0.00 O ATOM 848 CB GLU A 49 7.599 5.553 -9.093 1.00 0.00 C ATOM 849 CG GLU A 49 9.073 5.149 -8.930 1.00 0.00 C ATOM 850 CD GLU A 49 10.000 5.701 -10.034 1.00 0.00 C ATOM 851 OE1 GLU A 49 9.739 5.457 -11.238 1.00 0.00 O ATOM 852 OE2 GLU A 49 11.033 6.329 -9.699 1.00 0.00 O ATOM 0 H GLU A 49 5.493 6.350 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 49 8.093 7.433 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.991 4.954 -8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.277 5.313 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.430 5.499 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.142 4.061 -8.922 1.00 0.00 H new ATOM 859 N THR A 50 6.402 7.789 -11.004 1.00 0.00 N ATOM 860 CA THR A 50 6.330 8.602 -12.227 1.00 0.00 C ATOM 861 C THR A 50 6.395 10.114 -11.959 1.00 0.00 C ATOM 862 O THR A 50 6.878 10.882 -12.796 1.00 0.00 O ATOM 863 CB THR A 50 5.054 8.207 -12.988 1.00 0.00 C ATOM 864 OG1 THR A 50 5.158 6.860 -13.406 1.00 0.00 O ATOM 865 CG2 THR A 50 4.803 9.025 -14.244 1.00 0.00 C ATOM 0 H THR A 50 5.602 7.168 -10.882 1.00 0.00 H new ATOM 0 HA THR A 50 7.210 8.395 -12.836 1.00 0.00 H new ATOM 0 HB THR A 50 4.234 8.382 -12.292 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.979 6.267 -12.647 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.885 8.685 -14.722 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.705 10.078 -13.979 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.639 8.900 -14.933 1.00 0.00 H new ATOM 873 N ILE A 51 5.968 10.543 -10.769 1.00 0.00 N ATOM 874 CA ILE A 51 5.929 11.944 -10.310 1.00 0.00 C ATOM 875 C ILE A 51 7.174 12.373 -9.502 1.00 0.00 C ATOM 876 O ILE A 51 7.409 13.567 -9.300 1.00 0.00 O ATOM 877 CB ILE A 51 4.583 12.162 -9.567 1.00 0.00 C ATOM 878 CG1 ILE A 51 3.371 12.116 -10.534 1.00 0.00 C ATOM 879 CG2 ILE A 51 4.516 13.441 -8.716 1.00 0.00 C ATOM 880 CD1 ILE A 51 3.269 13.264 -11.551 1.00 0.00 C ATOM 0 H ILE A 51 5.622 9.896 -10.061 1.00 0.00 H new ATOM 0 HA ILE A 51 5.972 12.609 -11.173 1.00 0.00 H new ATOM 0 HB ILE A 51 4.530 11.324 -8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.406 11.175 -11.083 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.458 12.104 -9.939 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.540 13.508 -8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.294 13.412 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.666 14.311 -9.355 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.383 13.123 -12.171 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.194 14.214 -11.021 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.157 13.270 -12.183 1.00 0.00 H new ATOM 892 N ASN A 52 8.030 11.429 -9.112 1.00 0.00 N ATOM 893 CA ASN A 52 9.156 11.639 -8.184 1.00 0.00 C ATOM 894 C ASN A 52 10.510 11.264 -8.830 1.00 0.00 C ATOM 895 O ASN A 52 11.252 10.409 -8.335 1.00 0.00 O ATOM 896 CB ASN A 52 8.844 10.937 -6.843 1.00 0.00 C ATOM 897 CG ASN A 52 9.691 11.421 -5.674 1.00 0.00 C ATOM 898 OD1 ASN A 52 9.221 12.105 -4.776 1.00 0.00 O ATOM 899 ND2 ASN A 52 10.959 11.084 -5.630 1.00 0.00 N ATOM 0 H ASN A 52 7.962 10.465 -9.440 1.00 0.00 H new ATOM 0 HA ASN A 52 9.270 12.699 -7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.792 11.089 -6.602 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.992 9.864 -6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.542 11.392 -4.852 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.361 10.514 -6.374 1.00 0.00 H new ATOM 906 N GLY A 53 10.817 11.906 -9.967 1.00 0.00 N ATOM 907 CA GLY A 53 12.118 11.836 -10.659 1.00 0.00 C ATOM 908 C GLY A 53 13.294 12.344 -9.818 1.00 0.00 C ATOM 909 O GLY A 53 13.173 13.431 -9.209 1.00 0.00 O ATOM 910 OXT GLY A 53 14.346 11.666 -9.798 1.00 0.00 O ATOM 0 H GLY A 53 10.148 12.508 -10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.310 10.803 -10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.062 12.419 -11.578 1.00 0.00 H new TER 914 GLY A 53 ATOM 915 N MET B 1 -5.210 -10.607 15.846 1.00 0.00 N ATOM 916 CA MET B 1 -6.201 -9.875 16.678 1.00 0.00 C ATOM 917 C MET B 1 -6.361 -8.429 16.192 1.00 0.00 C ATOM 918 O MET B 1 -7.345 -8.111 15.530 1.00 0.00 O ATOM 919 CB MET B 1 -5.886 -9.944 18.190 1.00 0.00 C ATOM 920 CG MET B 1 -6.145 -11.323 18.817 1.00 0.00 C ATOM 921 SD MET B 1 -5.028 -12.665 18.309 1.00 0.00 S ATOM 922 CE MET B 1 -5.701 -14.023 19.305 1.00 0.00 C ATOM 0 H1 MET B 1 -4.865 -11.438 16.368 1.00 0.00 H new ATOM 0 H2 MET B 1 -5.661 -10.917 14.961 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.410 -9.979 15.626 1.00 0.00 H new ATOM 0 HA MET B 1 -7.158 -10.382 16.551 1.00 0.00 H new ATOM 0 HB2 MET B 1 -4.841 -9.675 18.346 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.488 -9.200 18.711 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.087 -11.222 19.901 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.166 -11.620 18.579 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.129 -14.931 19.115 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.635 -13.766 20.362 1.00 0.00 H new ATOM 0 HE3 MET B 1 -6.744 -14.189 19.037 1.00 0.00 H new ATOM 934 N ASP B 2 -5.404 -7.543 16.482 1.00 0.00 N ATOM 935 CA ASP B 2 -5.454 -6.097 16.216 1.00 0.00 C ATOM 936 C ASP B 2 -4.845 -5.708 14.848 1.00 0.00 C ATOM 937 O ASP B 2 -3.723 -5.207 14.763 1.00 0.00 O ATOM 938 CB ASP B 2 -4.831 -5.342 17.410 1.00 0.00 C ATOM 939 CG ASP B 2 -3.360 -5.698 17.721 1.00 0.00 C ATOM 940 OD1 ASP B 2 -3.033 -6.905 17.844 1.00 0.00 O ATOM 941 OD2 ASP B 2 -2.538 -4.770 17.920 1.00 0.00 O ATOM 0 H ASP B 2 -4.532 -7.824 16.929 1.00 0.00 H new ATOM 0 HA ASP B 2 -6.497 -5.793 16.128 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -4.895 -4.271 17.215 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -5.431 -5.541 18.298 1.00 0.00 H new ATOM 946 N TYR B 3 -5.593 -5.950 13.760 1.00 0.00 N ATOM 947 CA TYR B 3 -5.158 -5.719 12.365 1.00 0.00 C ATOM 948 C TYR B 3 -6.217 -5.016 11.487 1.00 0.00 C ATOM 949 O TYR B 3 -6.286 -5.232 10.277 1.00 0.00 O ATOM 950 CB TYR B 3 -4.596 -7.023 11.760 1.00 0.00 C ATOM 951 CG TYR B 3 -5.612 -8.039 11.261 1.00 0.00 C ATOM 952 CD1 TYR B 3 -6.368 -8.805 12.168 1.00 0.00 C ATOM 953 CD2 TYR B 3 -5.792 -8.222 9.876 1.00 0.00 C ATOM 954 CE1 TYR B 3 -7.307 -9.743 11.694 1.00 0.00 C ATOM 955 CE2 TYR B 3 -6.730 -9.155 9.395 1.00 0.00 C ATOM 956 CZ TYR B 3 -7.492 -9.919 10.305 1.00 0.00 C ATOM 957 OH TYR B 3 -8.396 -10.829 9.851 1.00 0.00 O ATOM 0 H TYR B 3 -6.541 -6.321 13.823 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.343 -4.996 12.388 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.943 -6.758 10.928 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.973 -7.506 12.513 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -6.228 -8.674 13.231 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -5.206 -7.642 9.178 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -7.886 -10.328 12.394 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -6.866 -9.286 8.332 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.401 -10.825 8.871 1.00 0.00 H new ATOM 967 N LEU B 4 -7.026 -4.134 12.091 1.00 0.00 N ATOM 968 CA LEU B 4 -8.046 -3.343 11.386 1.00 0.00 C ATOM 969 C LEU B 4 -8.030 -1.841 11.718 1.00 0.00 C ATOM 970 O LEU B 4 -7.902 -1.041 10.793 1.00 0.00 O ATOM 971 CB LEU B 4 -9.425 -4.023 11.526 1.00 0.00 C ATOM 972 CG LEU B 4 -9.972 -4.089 12.966 1.00 0.00 C ATOM 973 CD1 LEU B 4 -11.065 -3.047 13.205 1.00 0.00 C ATOM 974 CD2 LEU B 4 -10.554 -5.466 13.284 1.00 0.00 C ATOM 0 H LEU B 4 -6.991 -3.947 13.093 1.00 0.00 H new ATOM 0 HA LEU B 4 -7.791 -3.340 10.326 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.143 -3.488 10.904 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.356 -5.037 11.132 1.00 0.00 H new ATOM 0 HG LEU B 4 -9.123 -3.887 13.619 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -11.425 -3.126 14.231 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -10.659 -2.049 13.038 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -11.892 -3.222 12.516 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -10.930 -5.475 14.307 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -11.371 -5.684 12.596 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -9.777 -6.223 13.176 1.00 0.00 H new ATOM 986 N ARG B 5 -8.036 -1.440 13.002 1.00 0.00 N ATOM 987 CA ARG B 5 -7.816 -0.032 13.407 1.00 0.00 C ATOM 988 C ARG B 5 -6.472 0.489 12.892 1.00 0.00 C ATOM 989 O ARG B 5 -6.390 1.602 12.381 1.00 0.00 O ATOM 990 CB ARG B 5 -7.859 0.108 14.950 1.00 0.00 C ATOM 991 CG ARG B 5 -9.091 0.834 15.511 1.00 0.00 C ATOM 992 CD ARG B 5 -10.377 0.001 15.477 1.00 0.00 C ATOM 993 NE ARG B 5 -11.439 0.666 16.265 1.00 0.00 N ATOM 994 CZ ARG B 5 -12.193 0.146 17.219 1.00 0.00 C ATOM 995 NH1 ARG B 5 -12.165 -1.121 17.526 1.00 0.00 N ATOM 996 NH2 ARG B 5 -13.004 0.903 17.901 1.00 0.00 N ATOM 0 H ARG B 5 -8.192 -2.074 13.786 1.00 0.00 H new ATOM 0 HA ARG B 5 -8.617 0.561 12.967 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -7.814 -0.888 15.390 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -6.965 0.641 15.275 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -8.888 1.128 16.541 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -9.249 1.751 14.943 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -10.707 -0.130 14.446 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -10.185 -0.994 15.879 1.00 0.00 H new ATOM 0 HE ARG B 5 -11.611 1.647 16.045 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -11.544 -1.754 17.023 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -12.764 -1.479 18.270 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -13.060 1.902 17.700 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -13.584 0.497 18.636 1.00 0.00 H new ATOM 1010 N GLU B 6 -5.434 -0.343 13.010 1.00 0.00 N ATOM 1011 CA GLU B 6 -4.048 -0.015 12.659 1.00 0.00 C ATOM 1012 C GLU B 6 -3.899 0.427 11.194 1.00 0.00 C ATOM 1013 O GLU B 6 -3.308 1.469 10.905 1.00 0.00 O ATOM 1014 CB GLU B 6 -3.162 -1.239 12.976 1.00 0.00 C ATOM 1015 CG GLU B 6 -1.663 -0.913 13.028 1.00 0.00 C ATOM 1016 CD GLU B 6 -1.292 -0.083 14.275 1.00 0.00 C ATOM 1017 OE1 GLU B 6 -0.978 -0.678 15.335 1.00 0.00 O ATOM 1018 OE2 GLU B 6 -1.307 1.170 14.208 1.00 0.00 O ATOM 0 H GLU B 6 -5.537 -1.294 13.364 1.00 0.00 H new ATOM 0 HA GLU B 6 -3.727 0.839 13.255 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -3.467 -1.660 13.934 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -3.333 -2.006 12.221 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -1.091 -1.841 13.027 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -1.381 -0.363 12.130 1.00 0.00 H new ATOM 1025 N LEU B 7 -4.499 -0.338 10.278 1.00 0.00 N ATOM 1026 CA LEU B 7 -4.542 -0.053 8.850 1.00 0.00 C ATOM 1027 C LEU B 7 -5.305 1.244 8.567 1.00 0.00 C ATOM 1028 O LEU B 7 -4.736 2.173 7.999 1.00 0.00 O ATOM 1029 CB LEU B 7 -5.193 -1.252 8.137 1.00 0.00 C ATOM 1030 CG LEU B 7 -4.216 -2.416 7.917 1.00 0.00 C ATOM 1031 CD1 LEU B 7 -3.701 -3.096 9.189 1.00 0.00 C ATOM 1032 CD2 LEU B 7 -4.862 -3.483 7.040 1.00 0.00 C ATOM 0 H LEU B 7 -4.983 -1.201 10.524 1.00 0.00 H new ATOM 0 HA LEU B 7 -3.530 0.092 8.473 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -6.041 -1.602 8.725 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -5.586 -0.926 7.174 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.351 -1.955 7.440 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.019 -3.903 8.920 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -3.175 -2.366 9.804 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.542 -3.504 9.750 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -4.161 -4.304 6.890 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -5.762 -3.859 7.527 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -5.126 -3.050 6.075 1.00 0.00 H new ATOM 1044 N TYR B 8 -6.562 1.316 9.014 1.00 0.00 N ATOM 1045 CA TYR B 8 -7.502 2.431 8.821 1.00 0.00 C ATOM 1046 C TYR B 8 -6.922 3.774 9.265 1.00 0.00 C ATOM 1047 O TYR B 8 -7.048 4.761 8.547 1.00 0.00 O ATOM 1048 CB TYR B 8 -8.749 2.108 9.678 1.00 0.00 C ATOM 1049 CG TYR B 8 -10.127 2.544 9.211 1.00 0.00 C ATOM 1050 CD1 TYR B 8 -10.327 3.738 8.491 1.00 0.00 C ATOM 1051 CD2 TYR B 8 -11.242 1.770 9.599 1.00 0.00 C ATOM 1052 CE1 TYR B 8 -11.633 4.165 8.184 1.00 0.00 C ATOM 1053 CE2 TYR B 8 -12.549 2.192 9.286 1.00 0.00 C ATOM 1054 CZ TYR B 8 -12.746 3.402 8.587 1.00 0.00 C ATOM 1055 OH TYR B 8 -13.998 3.862 8.332 1.00 0.00 O ATOM 0 H TYR B 8 -6.978 0.555 9.552 1.00 0.00 H new ATOM 0 HA TYR B 8 -7.733 2.527 7.760 1.00 0.00 H new ATOM 0 HB2 TYR B 8 -8.779 1.027 9.811 1.00 0.00 H new ATOM 0 HB3 TYR B 8 -8.587 2.546 10.663 1.00 0.00 H new ATOM 0 HD1 TYR B 8 -9.478 4.326 8.174 1.00 0.00 H new ATOM 0 HD2 TYR B 8 -11.092 0.847 10.140 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -11.782 5.084 7.636 1.00 0.00 H new ATOM 0 HE2 TYR B 8 -13.397 1.592 9.580 1.00 0.00 H new ATOM 0 HH TYR B 8 -14.657 3.221 8.671 1.00 0.00 H new ATOM 1065 N LYS B 9 -6.277 3.831 10.434 1.00 0.00 N ATOM 1066 CA LYS B 9 -5.763 5.101 10.967 1.00 0.00 C ATOM 1067 C LYS B 9 -4.592 5.670 10.166 1.00 0.00 C ATOM 1068 O LYS B 9 -4.566 6.872 9.916 1.00 0.00 O ATOM 1069 CB LYS B 9 -5.446 4.977 12.471 1.00 0.00 C ATOM 1070 CG LYS B 9 -5.868 6.229 13.260 1.00 0.00 C ATOM 1071 CD LYS B 9 -7.397 6.316 13.427 1.00 0.00 C ATOM 1072 CE LYS B 9 -7.791 7.571 14.215 1.00 0.00 C ATOM 1073 NZ LYS B 9 -9.265 7.660 14.389 1.00 0.00 N ATOM 0 H LYS B 9 -6.098 3.021 11.027 1.00 0.00 H new ATOM 0 HA LYS B 9 -6.561 5.835 10.853 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -5.957 4.104 12.877 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -4.377 4.810 12.603 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -5.396 6.215 14.242 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -5.508 7.120 12.746 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -7.873 6.333 12.447 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -7.762 5.428 13.944 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -7.308 7.556 15.192 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -7.430 8.458 13.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -9.500 8.519 14.926 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -9.723 7.698 13.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -9.604 6.825 14.907 1.00 0.00 H new ATOM 1087 N LEU B 10 -3.670 4.834 9.691 1.00 0.00 N ATOM 1088 CA LEU B 10 -2.617 5.229 8.760 1.00 0.00 C ATOM 1089 C LEU B 10 -3.164 5.552 7.358 1.00 0.00 C ATOM 1090 O LEU B 10 -2.788 6.563 6.765 1.00 0.00 O ATOM 1091 CB LEU B 10 -1.519 4.150 8.733 1.00 0.00 C ATOM 1092 CG LEU B 10 -0.562 4.293 9.934 1.00 0.00 C ATOM 1093 CD1 LEU B 10 0.219 3.004 10.152 1.00 0.00 C ATOM 1094 CD2 LEU B 10 0.448 5.427 9.718 1.00 0.00 C ATOM 0 H LEU B 10 -3.634 3.847 9.947 1.00 0.00 H new ATOM 0 HA LEU B 10 -2.173 6.159 9.115 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -1.978 3.161 8.747 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.954 4.227 7.804 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.179 4.517 10.804 1.00 0.00 H new ATOM 0 HD11 LEU B 10 0.889 3.124 11.003 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.475 2.187 10.349 1.00 0.00 H new ATOM 0 HD13 LEU B 10 0.803 2.777 9.260 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.106 5.498 10.584 1.00 0.00 H new ATOM 0 HD22 LEU B 10 1.042 5.221 8.828 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -0.085 6.369 9.589 1.00 0.00 H new ATOM 1106 N GLU B 11 -4.130 4.762 6.882 1.00 0.00 N ATOM 1107 CA GLU B 11 -4.977 5.058 5.715 1.00 0.00 C ATOM 1108 C GLU B 11 -5.628 6.455 5.824 1.00 0.00 C ATOM 1109 O GLU B 11 -5.647 7.191 4.836 1.00 0.00 O ATOM 1110 CB GLU B 11 -6.004 3.901 5.553 1.00 0.00 C ATOM 1111 CG GLU B 11 -5.564 2.761 4.612 1.00 0.00 C ATOM 1112 CD GLU B 11 -5.639 3.058 3.106 1.00 0.00 C ATOM 1113 OE1 GLU B 11 -4.830 3.728 2.446 1.00 0.00 O ATOM 1114 OE2 GLU B 11 -6.396 2.508 2.281 1.00 0.00 O ATOM 0 H GLU B 11 -4.355 3.865 7.312 1.00 0.00 H new ATOM 0 HA GLU B 11 -4.373 5.107 4.809 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -6.211 3.479 6.537 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -6.940 4.317 5.181 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -4.537 2.491 4.857 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -6.181 1.887 4.820 1.00 0.00 H new ATOM 1121 N GLN B 12 -6.066 6.886 7.017 1.00 0.00 N ATOM 1122 CA GLN B 12 -6.656 8.206 7.244 1.00 0.00 C ATOM 1123 C GLN B 12 -5.672 9.346 7.518 1.00 0.00 C ATOM 1124 O GLN B 12 -5.960 10.493 7.180 1.00 0.00 O ATOM 1125 CB GLN B 12 -7.704 8.113 8.350 1.00 0.00 C ATOM 1126 CG GLN B 12 -8.967 7.441 7.803 1.00 0.00 C ATOM 1127 CD GLN B 12 -10.090 7.379 8.839 1.00 0.00 C ATOM 1128 OE1 GLN B 12 -9.894 7.065 10.007 1.00 0.00 O ATOM 1129 NE2 GLN B 12 -11.312 7.696 8.463 1.00 0.00 N ATOM 0 H GLN B 12 -6.018 6.315 7.861 1.00 0.00 H new ATOM 0 HA GLN B 12 -7.112 8.483 6.294 1.00 0.00 H new ATOM 0 HB2 GLN B 12 -7.311 7.542 9.191 1.00 0.00 H new ATOM 0 HB3 GLN B 12 -7.942 9.109 8.724 1.00 0.00 H new ATOM 0 HG2 GLN B 12 -9.315 7.987 6.926 1.00 0.00 H new ATOM 0 HG3 GLN B 12 -8.724 6.431 7.474 1.00 0.00 H new ATOM 0 HE21 GLN B 12 -11.495 7.960 7.495 1.00 0.00 H new ATOM 0 HE22 GLN B 12 -12.075 7.677 9.140 1.00 0.00 H new ATOM 1138 N GLN B 13 -4.490 9.062 8.051 1.00 0.00 N ATOM 1139 CA GLN B 13 -3.422 10.064 8.170 1.00 0.00 C ATOM 1140 C GLN B 13 -2.858 10.449 6.800 1.00 0.00 C ATOM 1141 O GLN B 13 -2.650 11.636 6.549 1.00 0.00 O ATOM 1142 CB GLN B 13 -2.303 9.569 9.098 1.00 0.00 C ATOM 1143 CG GLN B 13 -2.703 9.662 10.578 1.00 0.00 C ATOM 1144 CD GLN B 13 -1.612 9.123 11.503 1.00 0.00 C ATOM 1145 OE1 GLN B 13 -0.452 9.508 11.442 1.00 0.00 O ATOM 1146 NE2 GLN B 13 -1.932 8.215 12.401 1.00 0.00 N ATOM 0 H GLN B 13 -4.240 8.141 8.412 1.00 0.00 H new ATOM 0 HA GLN B 13 -3.862 10.958 8.612 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -2.058 8.536 8.852 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -1.402 10.159 8.928 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -2.912 10.701 10.832 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -3.624 9.102 10.740 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -2.893 7.881 12.468 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -1.219 7.846 13.030 1.00 0.00 H new ATOM 1155 N ALA B 14 -2.705 9.490 5.879 1.00 0.00 N ATOM 1156 CA ALA B 14 -2.386 9.795 4.486 1.00 0.00 C ATOM 1157 C ALA B 14 -3.550 10.542 3.816 1.00 0.00 C ATOM 1158 O ALA B 14 -3.308 11.487 3.077 1.00 0.00 O ATOM 1159 CB ALA B 14 -2.049 8.488 3.758 1.00 0.00 C ATOM 0 H ALA B 14 -2.798 8.494 6.078 1.00 0.00 H new ATOM 0 HA ALA B 14 -1.519 10.454 4.437 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -1.809 8.703 2.717 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -1.192 8.015 4.238 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -2.906 7.816 3.802 1.00 0.00 H new ATOM 1165 N MET B 15 -4.805 10.192 4.123 1.00 0.00 N ATOM 1166 CA MET B 15 -6.001 10.876 3.579 1.00 0.00 C ATOM 1167 C MET B 15 -6.089 12.346 4.026 1.00 0.00 C ATOM 1168 O MET B 15 -6.375 13.216 3.202 1.00 0.00 O ATOM 1169 CB MET B 15 -7.263 10.107 4.019 1.00 0.00 C ATOM 1170 CG MET B 15 -8.625 10.638 3.549 1.00 0.00 C ATOM 1171 SD MET B 15 -9.257 9.985 1.983 1.00 0.00 S ATOM 1172 CE MET B 15 -8.301 10.972 0.811 1.00 0.00 C ATOM 0 H MET B 15 -5.028 9.425 4.757 1.00 0.00 H new ATOM 0 HA MET B 15 -5.922 10.882 2.492 1.00 0.00 H new ATOM 0 HB2 MET B 15 -7.167 9.078 3.672 1.00 0.00 H new ATOM 0 HB3 MET B 15 -7.273 10.076 5.109 1.00 0.00 H new ATOM 0 HG2 MET B 15 -9.359 10.427 4.327 1.00 0.00 H new ATOM 0 HG3 MET B 15 -8.556 11.722 3.462 1.00 0.00 H new ATOM 0 HE1 MET B 15 -8.917 11.203 -0.058 1.00 0.00 H new ATOM 0 HE2 MET B 15 -7.985 11.899 1.289 1.00 0.00 H new ATOM 0 HE3 MET B 15 -7.423 10.410 0.493 1.00 0.00 H new ATOM 1182 N LYS B 16 -5.807 12.657 5.299 1.00 0.00 N ATOM 1183 CA LYS B 16 -5.755 14.041 5.800 1.00 0.00 C ATOM 1184 C LYS B 16 -4.588 14.835 5.220 1.00 0.00 C ATOM 1185 O LYS B 16 -4.762 15.990 4.831 1.00 0.00 O ATOM 1186 CB LYS B 16 -5.699 14.046 7.328 1.00 0.00 C ATOM 1187 CG LYS B 16 -7.107 13.843 7.911 1.00 0.00 C ATOM 1188 CD LYS B 16 -7.122 14.037 9.430 1.00 0.00 C ATOM 1189 CE LYS B 16 -8.571 14.012 9.936 1.00 0.00 C ATOM 1190 NZ LYS B 16 -8.648 14.264 11.399 1.00 0.00 N ATOM 0 H LYS B 16 -5.608 11.956 6.013 1.00 0.00 H new ATOM 0 HA LYS B 16 -6.667 14.537 5.468 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -5.035 13.255 7.678 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -5.284 14.990 7.681 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -7.798 14.546 7.447 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -7.461 12.841 7.668 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -6.543 13.250 9.913 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -6.651 14.985 9.691 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -9.154 14.765 9.406 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -9.019 13.044 9.710 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -9.642 14.239 11.704 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -8.112 13.531 11.906 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -8.244 15.198 11.612 1.00 0.00 H new ATOM 1204 N LEU B 17 -3.422 14.201 5.087 1.00 0.00 N ATOM 1205 CA LEU B 17 -2.295 14.744 4.334 1.00 0.00 C ATOM 1206 C LEU B 17 -2.684 15.061 2.881 1.00 0.00 C ATOM 1207 O LEU B 17 -2.419 16.160 2.406 1.00 0.00 O ATOM 1208 CB LEU B 17 -1.139 13.733 4.424 1.00 0.00 C ATOM 1209 CG LEU B 17 -0.139 14.041 5.549 1.00 0.00 C ATOM 1210 CD1 LEU B 17 0.855 12.891 5.661 1.00 0.00 C ATOM 1211 CD2 LEU B 17 0.663 15.322 5.300 1.00 0.00 C ATOM 0 H LEU B 17 -3.234 13.289 5.503 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.979 15.695 4.763 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -1.551 12.736 4.578 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.608 13.715 3.472 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.722 14.173 6.461 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.568 13.103 6.458 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.320 11.969 5.888 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.388 12.778 4.717 1.00 0.00 H new ATOM 0 HD21 LEU B 17 1.352 15.487 6.128 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.227 15.224 4.373 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.019 16.169 5.222 1.00 0.00 H new ATOM 1223 N TYR B 18 -3.387 14.146 2.211 1.00 0.00 N ATOM 1224 CA TYR B 18 -3.941 14.316 0.862 1.00 0.00 C ATOM 1225 C TYR B 18 -4.944 15.475 0.744 1.00 0.00 C ATOM 1226 O TYR B 18 -4.886 16.236 -0.226 1.00 0.00 O ATOM 1227 CB TYR B 18 -4.545 12.975 0.387 1.00 0.00 C ATOM 1228 CG TYR B 18 -3.575 12.148 -0.438 1.00 0.00 C ATOM 1229 CD1 TYR B 18 -3.019 12.691 -1.613 1.00 0.00 C ATOM 1230 CD2 TYR B 18 -3.169 10.875 0.001 1.00 0.00 C ATOM 1231 CE1 TYR B 18 -1.983 12.014 -2.284 1.00 0.00 C ATOM 1232 CE2 TYR B 18 -2.135 10.194 -0.667 1.00 0.00 C ATOM 1233 CZ TYR B 18 -1.514 10.781 -1.792 1.00 0.00 C ATOM 1234 OH TYR B 18 -0.471 10.167 -2.410 1.00 0.00 O ATOM 0 H TYR B 18 -3.595 13.229 2.607 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.120 14.599 0.203 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -4.860 12.397 1.255 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -5.439 13.174 -0.204 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -3.389 13.629 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -3.652 10.419 0.853 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.548 12.440 -3.176 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.816 9.222 -0.320 1.00 0.00 H new ATOM 0 HH TYR B 18 0.202 9.916 -1.744 1.00 0.00 H new ATOM 1244 N ARG B 19 -5.825 15.664 1.736 1.00 0.00 N ATOM 1245 CA ARG B 19 -6.787 16.782 1.795 1.00 0.00 C ATOM 1246 C ARG B 19 -6.097 18.153 1.798 1.00 0.00 C ATOM 1247 O ARG B 19 -6.536 19.063 1.098 1.00 0.00 O ATOM 1248 CB ARG B 19 -7.691 16.593 3.031 1.00 0.00 C ATOM 1249 CG ARG B 19 -8.891 17.551 3.116 1.00 0.00 C ATOM 1250 CD ARG B 19 -9.940 17.289 2.025 1.00 0.00 C ATOM 1251 NE ARG B 19 -11.133 18.144 2.200 1.00 0.00 N ATOM 1252 CZ ARG B 19 -12.171 17.928 2.990 1.00 0.00 C ATOM 1253 NH1 ARG B 19 -12.259 16.879 3.760 1.00 0.00 N ATOM 1254 NH2 ARG B 19 -13.157 18.778 3.027 1.00 0.00 N ATOM 0 H ARG B 19 -5.893 15.035 2.536 1.00 0.00 H new ATOM 0 HA ARG B 19 -7.397 16.766 0.892 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -8.063 15.568 3.036 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -7.084 16.716 3.928 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -9.360 17.453 4.095 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -8.536 18.578 3.034 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -9.500 17.473 1.045 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -10.237 16.240 2.049 1.00 0.00 H new ATOM 0 HE ARG B 19 -11.158 19.001 1.647 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -11.509 16.188 3.767 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -13.078 16.750 4.355 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -13.131 19.615 2.445 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -13.955 18.607 3.638 1.00 0.00 H new ATOM 1268 N GLU B 20 -5.001 18.299 2.544 1.00 0.00 N ATOM 1269 CA GLU B 20 -4.214 19.544 2.619 1.00 0.00 C ATOM 1270 C GLU B 20 -3.247 19.710 1.448 1.00 0.00 C ATOM 1271 O GLU B 20 -3.096 20.804 0.901 1.00 0.00 O ATOM 1272 CB GLU B 20 -3.419 19.552 3.930 1.00 0.00 C ATOM 1273 CG GLU B 20 -3.272 20.970 4.494 1.00 0.00 C ATOM 1274 CD GLU B 20 -2.525 20.962 5.842 1.00 0.00 C ATOM 1275 OE1 GLU B 20 -1.274 21.067 5.849 1.00 0.00 O ATOM 1276 OE2 GLU B 20 -3.184 20.863 6.905 1.00 0.00 O ATOM 0 H GLU B 20 -4.625 17.549 3.124 1.00 0.00 H new ATOM 0 HA GLU B 20 -4.917 20.376 2.576 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -3.919 18.919 4.663 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -2.431 19.124 3.760 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -2.733 21.593 3.781 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -4.258 21.416 4.625 1.00 0.00 H new ATOM 1283 N ALA B 21 -2.638 18.610 1.018 1.00 0.00 N ATOM 1284 CA ALA B 21 -1.839 18.559 -0.202 1.00 0.00 C ATOM 1285 C ALA B 21 -2.644 18.998 -1.438 1.00 0.00 C ATOM 1286 O ALA B 21 -2.076 19.642 -2.310 1.00 0.00 O ATOM 1287 CB ALA B 21 -1.237 17.164 -0.379 1.00 0.00 C ATOM 0 H ALA B 21 -2.686 17.719 1.512 1.00 0.00 H new ATOM 0 HA ALA B 21 -1.022 19.273 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -0.643 17.137 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -0.601 16.931 0.475 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -2.038 16.428 -0.446 1.00 0.00 H new ATOM 1293 N SER B 22 -3.959 18.753 -1.498 1.00 0.00 N ATOM 1294 CA SER B 22 -4.841 19.304 -2.544 1.00 0.00 C ATOM 1295 C SER B 22 -4.851 20.845 -2.578 1.00 0.00 C ATOM 1296 O SER B 22 -4.941 21.435 -3.658 1.00 0.00 O ATOM 1297 CB SER B 22 -6.262 18.760 -2.362 1.00 0.00 C ATOM 1298 OG SER B 22 -7.060 19.053 -3.497 1.00 0.00 O ATOM 0 H SER B 22 -4.446 18.165 -0.822 1.00 0.00 H new ATOM 0 HA SER B 22 -4.441 18.981 -3.505 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.227 17.682 -2.205 1.00 0.00 H new ATOM 0 HB3 SER B 22 -6.713 19.198 -1.471 1.00 0.00 H new ATOM 0 HG SER B 22 -7.963 18.697 -3.363 1.00 0.00 H new ATOM 1304 N GLU B 23 -4.688 21.521 -1.430 1.00 0.00 N ATOM 1305 CA GLU B 23 -4.472 22.978 -1.394 1.00 0.00 C ATOM 1306 C GLU B 23 -3.042 23.358 -1.822 1.00 0.00 C ATOM 1307 O GLU B 23 -2.842 24.277 -2.621 1.00 0.00 O ATOM 1308 CB GLU B 23 -4.755 23.500 0.025 1.00 0.00 C ATOM 1309 CG GLU B 23 -5.059 25.005 0.080 1.00 0.00 C ATOM 1310 CD GLU B 23 -6.447 25.337 -0.504 1.00 0.00 C ATOM 1311 OE1 GLU B 23 -7.452 25.294 0.246 1.00 0.00 O ATOM 1312 OE2 GLU B 23 -6.544 25.652 -1.715 1.00 0.00 O ATOM 0 H GLU B 23 -4.702 21.081 -0.510 1.00 0.00 H new ATOM 0 HA GLU B 23 -5.157 23.440 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -5.600 22.952 0.442 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -3.894 23.289 0.659 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -5.010 25.347 1.114 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -4.294 25.550 -0.473 1.00 0.00 H new ATOM 1319 N LYS B 24 -2.037 22.628 -1.315 1.00 0.00 N ATOM 1320 CA LYS B 24 -0.606 22.851 -1.610 1.00 0.00 C ATOM 1321 C LYS B 24 -0.229 22.599 -3.084 1.00 0.00 C ATOM 1322 O LYS B 24 0.689 23.229 -3.610 1.00 0.00 O ATOM 1323 CB LYS B 24 0.245 21.988 -0.657 1.00 0.00 C ATOM 1324 CG LYS B 24 1.572 22.679 -0.304 1.00 0.00 C ATOM 1325 CD LYS B 24 2.418 21.819 0.648 1.00 0.00 C ATOM 1326 CE LYS B 24 3.553 22.610 1.318 1.00 0.00 C ATOM 1327 NZ LYS B 24 4.523 23.176 0.343 1.00 0.00 N ATOM 0 H LYS B 24 -2.195 21.850 -0.675 1.00 0.00 H new ATOM 0 HA LYS B 24 -0.398 23.908 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -0.317 21.790 0.256 1.00 0.00 H new ATOM 0 HB3 LYS B 24 0.448 21.023 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS B 24 2.135 22.875 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS B 24 1.369 23.644 0.159 1.00 0.00 H new ATOM 0 HD2 LYS B 24 1.773 21.396 1.418 1.00 0.00 H new ATOM 0 HD3 LYS B 24 2.843 20.982 0.093 1.00 0.00 H new ATOM 0 HE2 LYS B 24 3.124 23.420 1.907 1.00 0.00 H new ATOM 0 HE3 LYS B 24 4.083 21.957 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 5.264 23.698 0.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 4.956 22.404 -0.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 4.028 23.822 -0.304 1.00 0.00 H new ATOM 1341 N ALA B 25 -0.969 21.721 -3.760 1.00 0.00 N ATOM 1342 CA ALA B 25 -0.776 21.252 -5.133 1.00 0.00 C ATOM 1343 C ALA B 25 -1.740 21.929 -6.132 1.00 0.00 C ATOM 1344 O ALA B 25 -2.167 21.298 -7.099 1.00 0.00 O ATOM 1345 CB ALA B 25 -0.955 19.722 -5.129 1.00 0.00 C ATOM 0 H ALA B 25 -1.783 21.284 -3.328 1.00 0.00 H new ATOM 0 HA ALA B 25 0.225 21.521 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -0.818 19.337 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -0.217 19.271 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -1.957 19.474 -4.779 1.00 0.00 H new ATOM 1351 N ARG B 26 -2.132 23.194 -5.896 1.00 0.00 N ATOM 1352 CA ARG B 26 -3.203 23.908 -6.620 1.00 0.00 C ATOM 1353 C ARG B 26 -3.049 24.030 -8.150 1.00 0.00 C ATOM 1354 O ARG B 26 -4.017 24.378 -8.826 1.00 0.00 O ATOM 1355 CB ARG B 26 -3.493 25.261 -5.933 1.00 0.00 C ATOM 1356 CG ARG B 26 -2.300 26.206 -5.679 1.00 0.00 C ATOM 1357 CD ARG B 26 -1.509 26.537 -6.948 1.00 0.00 C ATOM 1358 NE ARG B 26 -0.708 27.768 -6.805 1.00 0.00 N ATOM 1359 CZ ARG B 26 -0.165 28.472 -7.784 1.00 0.00 C ATOM 1360 NH1 ARG B 26 -0.271 28.123 -9.037 1.00 0.00 N ATOM 1361 NH2 ARG B 26 0.506 29.558 -7.525 1.00 0.00 N ATOM 0 H ARG B 26 -1.699 23.768 -5.172 1.00 0.00 H new ATOM 0 HA ARG B 26 -4.077 23.261 -6.542 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -4.222 25.797 -6.541 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -3.968 25.055 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -2.667 27.132 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -1.631 25.747 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -0.850 25.703 -7.190 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -2.199 26.651 -7.784 1.00 0.00 H new ATOM 0 HE ARG B 26 -0.558 28.110 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -0.787 27.280 -9.290 1.00 0.00 H new ATOM 0 HH12 ARG B 26 0.162 28.693 -9.764 1.00 0.00 H new ATOM 0 HH21 ARG B 26 0.616 29.872 -6.561 1.00 0.00 H new ATOM 0 HH22 ARG B 26 0.921 30.095 -8.286 1.00 0.00 H new ATOM 1375 N ASN B 27 -1.867 23.747 -8.705 1.00 0.00 N ATOM 1376 CA ASN B 27 -1.643 23.601 -10.147 1.00 0.00 C ATOM 1377 C ASN B 27 -2.546 22.475 -10.711 1.00 0.00 C ATOM 1378 O ASN B 27 -2.501 21.359 -10.184 1.00 0.00 O ATOM 1379 CB ASN B 27 -0.142 23.313 -10.360 1.00 0.00 C ATOM 1380 CG ASN B 27 0.260 23.217 -11.827 1.00 0.00 C ATOM 1381 OD1 ASN B 27 -0.356 22.530 -12.627 1.00 0.00 O ATOM 1382 ND2 ASN B 27 1.306 23.899 -12.233 1.00 0.00 N ATOM 0 H ASN B 27 -1.021 23.610 -8.153 1.00 0.00 H new ATOM 0 HA ASN B 27 -1.908 24.511 -10.685 1.00 0.00 H new ATOM 0 HB2 ASN B 27 0.441 24.101 -9.883 1.00 0.00 H new ATOM 0 HB3 ASN B 27 0.114 22.379 -9.860 1.00 0.00 H new ATOM 0 HD21 ASN B 27 1.598 23.852 -13.209 1.00 0.00 H new ATOM 0 HD22 ASN B 27 1.827 24.476 -11.572 1.00 0.00 H new ATOM 1389 N PRO B 28 -3.349 22.709 -11.770 1.00 0.00 N ATOM 1390 CA PRO B 28 -4.349 21.745 -12.236 1.00 0.00 C ATOM 1391 C PRO B 28 -3.751 20.420 -12.728 1.00 0.00 C ATOM 1392 O PRO B 28 -4.410 19.384 -12.630 1.00 0.00 O ATOM 1393 CB PRO B 28 -5.145 22.467 -13.329 1.00 0.00 C ATOM 1394 CG PRO B 28 -4.184 23.539 -13.835 1.00 0.00 C ATOM 1395 CD PRO B 28 -3.391 23.914 -12.586 1.00 0.00 C ATOM 0 HA PRO B 28 -4.988 21.438 -11.408 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.438 21.784 -14.127 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.061 22.906 -12.933 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -3.536 23.158 -14.624 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -4.717 24.396 -14.246 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -2.386 24.246 -12.845 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -3.869 24.734 -12.050 1.00 0.00 H new ATOM 1403 N GLU B 29 -2.498 20.420 -13.199 1.00 0.00 N ATOM 1404 CA GLU B 29 -1.765 19.208 -13.594 1.00 0.00 C ATOM 1405 C GLU B 29 -1.650 18.197 -12.444 1.00 0.00 C ATOM 1406 O GLU B 29 -1.985 17.022 -12.586 1.00 0.00 O ATOM 1407 CB GLU B 29 -0.369 19.621 -14.103 1.00 0.00 C ATOM 1408 CG GLU B 29 0.327 18.556 -14.959 1.00 0.00 C ATOM 1409 CD GLU B 29 -0.286 18.468 -16.371 1.00 0.00 C ATOM 1410 OE1 GLU B 29 0.150 19.223 -17.276 1.00 0.00 O ATOM 1411 OE2 GLU B 29 -1.202 17.640 -16.592 1.00 0.00 O ATOM 0 H GLU B 29 -1.955 21.275 -13.319 1.00 0.00 H new ATOM 0 HA GLU B 29 -2.321 18.708 -14.387 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -0.464 20.536 -14.687 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.264 19.854 -13.247 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.389 18.789 -15.037 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.249 17.586 -14.467 1.00 0.00 H new ATOM 1418 N LYS B 30 -1.221 18.685 -11.277 1.00 0.00 N ATOM 1419 CA LYS B 30 -1.039 17.924 -10.034 1.00 0.00 C ATOM 1420 C LYS B 30 -2.344 17.724 -9.276 1.00 0.00 C ATOM 1421 O LYS B 30 -2.610 16.607 -8.829 1.00 0.00 O ATOM 1422 CB LYS B 30 0.027 18.644 -9.193 1.00 0.00 C ATOM 1423 CG LYS B 30 0.718 17.711 -8.191 1.00 0.00 C ATOM 1424 CD LYS B 30 1.937 18.411 -7.583 1.00 0.00 C ATOM 1425 CE LYS B 30 2.831 17.368 -6.913 1.00 0.00 C ATOM 1426 NZ LYS B 30 4.029 18.009 -6.321 1.00 0.00 N ATOM 0 H LYS B 30 -0.979 19.670 -11.166 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.700 16.915 -10.269 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.776 19.077 -9.856 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.438 19.470 -8.654 1.00 0.00 H new ATOM 0 HG2 LYS B 30 0.020 17.428 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.026 16.792 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS B 30 2.492 18.940 -8.358 1.00 0.00 H new ATOM 0 HD3 LYS B 30 1.618 19.156 -6.854 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.271 16.846 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS B 30 3.136 16.620 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 4.794 17.309 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 4.340 18.793 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 3.795 18.376 -5.376 1.00 0.00 H new ATOM 1440 N LYS B 31 -3.206 18.747 -9.218 1.00 0.00 N ATOM 1441 CA LYS B 31 -4.550 18.662 -8.623 1.00 0.00 C ATOM 1442 C LYS B 31 -5.447 17.599 -9.269 1.00 0.00 C ATOM 1443 O LYS B 31 -6.304 17.042 -8.591 1.00 0.00 O ATOM 1444 CB LYS B 31 -5.207 20.052 -8.555 1.00 0.00 C ATOM 1445 CG LYS B 31 -6.370 20.063 -7.547 1.00 0.00 C ATOM 1446 CD LYS B 31 -6.749 21.485 -7.124 1.00 0.00 C ATOM 1447 CE LYS B 31 -7.880 21.430 -6.089 1.00 0.00 C ATOM 1448 NZ LYS B 31 -8.188 22.775 -5.536 1.00 0.00 N ATOM 0 H LYS B 31 -2.988 19.672 -9.588 1.00 0.00 H new ATOM 0 HA LYS B 31 -4.420 18.311 -7.599 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -4.464 20.796 -8.267 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -5.574 20.334 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -7.237 19.573 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -6.092 19.485 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.882 21.993 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.066 22.062 -7.993 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.775 21.013 -6.551 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.598 20.759 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -8.957 22.697 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.341 23.162 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -8.482 23.408 -6.307 1.00 0.00 H new ATOM 1462 N SER B 32 -5.183 17.239 -10.526 1.00 0.00 N ATOM 1463 CA SER B 32 -5.881 16.162 -11.256 1.00 0.00 C ATOM 1464 C SER B 32 -5.138 14.816 -11.275 1.00 0.00 C ATOM 1465 O SER B 32 -5.601 13.865 -11.907 1.00 0.00 O ATOM 1466 CB SER B 32 -6.197 16.597 -12.696 1.00 0.00 C ATOM 1467 OG SER B 32 -6.842 17.862 -12.732 1.00 0.00 O ATOM 0 H SER B 32 -4.462 17.695 -11.084 1.00 0.00 H new ATOM 0 HA SER B 32 -6.802 15.994 -10.698 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.274 16.643 -13.274 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.833 15.850 -13.171 1.00 0.00 H new ATOM 0 HG SER B 32 -6.169 18.573 -12.704 1.00 0.00 H new ATOM 1473 N VAL B 33 -4.020 14.704 -10.550 1.00 0.00 N ATOM 1474 CA VAL B 33 -3.244 13.461 -10.368 1.00 0.00 C ATOM 1475 C VAL B 33 -3.364 12.961 -8.930 1.00 0.00 C ATOM 1476 O VAL B 33 -3.706 11.792 -8.736 1.00 0.00 O ATOM 1477 CB VAL B 33 -1.774 13.649 -10.803 1.00 0.00 C ATOM 1478 CG1 VAL B 33 -0.847 12.511 -10.349 1.00 0.00 C ATOM 1479 CG2 VAL B 33 -1.688 13.710 -12.333 1.00 0.00 C ATOM 0 H VAL B 33 -3.613 15.498 -10.056 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.664 12.692 -11.017 1.00 0.00 H new ATOM 0 HB VAL B 33 -1.445 14.574 -10.330 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.169 12.711 -10.690 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -0.858 12.445 -9.261 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -1.193 11.569 -10.773 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -0.649 13.843 -12.634 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -2.073 12.782 -12.756 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -2.281 14.549 -12.698 1.00 0.00 H new ATOM 1489 N LEU B 34 -3.202 13.822 -7.911 1.00 0.00 N ATOM 1490 CA LEU B 34 -3.463 13.406 -6.531 1.00 0.00 C ATOM 1491 C LEU B 34 -4.966 13.148 -6.257 1.00 0.00 C ATOM 1492 O LEU B 34 -5.296 12.409 -5.329 1.00 0.00 O ATOM 1493 CB LEU B 34 -2.720 14.328 -5.540 1.00 0.00 C ATOM 1494 CG LEU B 34 -3.544 15.457 -4.933 1.00 0.00 C ATOM 1495 CD1 LEU B 34 -2.815 16.085 -3.743 1.00 0.00 C ATOM 1496 CD2 LEU B 34 -3.860 16.576 -5.907 1.00 0.00 C ATOM 0 H LEU B 34 -2.898 14.790 -8.017 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.034 12.419 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.327 13.715 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.864 14.765 -6.053 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.479 14.986 -4.629 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.423 16.888 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.644 15.326 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.858 16.488 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.449 17.342 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -2.931 17.014 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.428 16.177 -6.748 1.00 0.00 H new ATOM 1508 N GLN B 35 -5.880 13.676 -7.090 1.00 0.00 N ATOM 1509 CA GLN B 35 -7.321 13.409 -6.988 1.00 0.00 C ATOM 1510 C GLN B 35 -7.677 11.922 -7.153 1.00 0.00 C ATOM 1511 O GLN B 35 -8.513 11.414 -6.407 1.00 0.00 O ATOM 1512 CB GLN B 35 -8.079 14.276 -8.009 1.00 0.00 C ATOM 1513 CG GLN B 35 -9.604 14.071 -7.981 1.00 0.00 C ATOM 1514 CD GLN B 35 -10.351 15.021 -8.922 1.00 0.00 C ATOM 1515 OE1 GLN B 35 -9.862 15.449 -9.960 1.00 0.00 O ATOM 1516 NE2 GLN B 35 -11.576 15.387 -8.602 1.00 0.00 N ATOM 0 H GLN B 35 -5.636 14.303 -7.856 1.00 0.00 H new ATOM 0 HA GLN B 35 -7.630 13.676 -5.977 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -7.859 15.326 -7.816 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -7.709 14.051 -9.009 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -9.832 13.041 -8.256 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -9.966 14.217 -6.963 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -12.003 15.043 -7.742 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -12.097 16.015 -9.214 1.00 0.00 H new ATOM 1525 N LYS B 36 -7.052 11.198 -8.091 1.00 0.00 N ATOM 1526 CA LYS B 36 -7.346 9.768 -8.300 1.00 0.00 C ATOM 1527 C LYS B 36 -6.894 8.893 -7.135 1.00 0.00 C ATOM 1528 O LYS B 36 -7.614 7.967 -6.769 1.00 0.00 O ATOM 1529 CB LYS B 36 -6.749 9.277 -9.631 1.00 0.00 C ATOM 1530 CG LYS B 36 -7.687 9.602 -10.804 1.00 0.00 C ATOM 1531 CD LYS B 36 -7.079 9.173 -12.146 1.00 0.00 C ATOM 1532 CE LYS B 36 -8.142 9.263 -13.250 1.00 0.00 C ATOM 1533 NZ LYS B 36 -7.574 8.943 -14.587 1.00 0.00 N ATOM 0 H LYS B 36 -6.341 11.575 -8.717 1.00 0.00 H new ATOM 0 HA LYS B 36 -8.431 9.673 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS B 36 -5.779 9.747 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS B 36 -6.579 8.201 -9.583 1.00 0.00 H new ATOM 0 HG2 LYS B 36 -8.642 9.097 -10.658 1.00 0.00 H new ATOM 0 HG3 LYS B 36 -7.892 10.672 -10.822 1.00 0.00 H new ATOM 0 HD2 LYS B 36 -6.231 9.812 -12.392 1.00 0.00 H new ATOM 0 HD3 LYS B 36 -6.700 8.153 -12.075 1.00 0.00 H new ATOM 0 HE2 LYS B 36 -8.958 8.575 -13.027 1.00 0.00 H new ATOM 0 HE3 LYS B 36 -8.567 10.267 -13.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 36 -8.321 9.014 -15.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 36 -6.812 9.615 -14.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 36 -7.191 7.976 -14.579 1.00 0.00 H new ATOM 1547 N ILE B 37 -5.768 9.224 -6.497 1.00 0.00 N ATOM 1548 CA ILE B 37 -5.356 8.595 -5.232 1.00 0.00 C ATOM 1549 C ILE B 37 -6.377 8.927 -4.142 1.00 0.00 C ATOM 1550 O ILE B 37 -6.872 8.008 -3.500 1.00 0.00 O ATOM 1551 CB ILE B 37 -3.944 9.068 -4.807 1.00 0.00 C ATOM 1552 CG1 ILE B 37 -2.855 8.704 -5.830 1.00 0.00 C ATOM 1553 CG2 ILE B 37 -3.621 8.539 -3.398 1.00 0.00 C ATOM 1554 CD1 ILE B 37 -1.442 9.215 -5.514 1.00 0.00 C ATOM 0 H ILE B 37 -5.117 9.931 -6.838 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.316 7.515 -5.377 1.00 0.00 H new ATOM 0 HB ILE B 37 -3.952 10.158 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.816 7.618 -5.920 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.153 9.094 -6.803 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -2.627 8.874 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.357 8.918 -2.689 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.650 7.449 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.757 8.900 -6.301 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -1.453 10.303 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.112 8.805 -4.560 1.00 0.00 H new ATOM 1566 N LEU B 38 -6.733 10.201 -3.933 1.00 0.00 N ATOM 1567 CA LEU B 38 -7.676 10.564 -2.868 1.00 0.00 C ATOM 1568 C LEU B 38 -9.064 9.910 -3.062 1.00 0.00 C ATOM 1569 O LEU B 38 -9.671 9.467 -2.087 1.00 0.00 O ATOM 1570 CB LEU B 38 -7.624 12.083 -2.581 1.00 0.00 C ATOM 1571 CG LEU B 38 -8.753 12.916 -3.187 1.00 0.00 C ATOM 1572 CD1 LEU B 38 -10.023 12.951 -2.329 1.00 0.00 C ATOM 1573 CD2 LEU B 38 -8.306 14.370 -3.365 1.00 0.00 C ATOM 0 H LEU B 38 -6.387 10.989 -4.480 1.00 0.00 H new ATOM 0 HA LEU B 38 -7.361 10.121 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.630 12.229 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -6.674 12.471 -2.950 1.00 0.00 H new ATOM 0 HG LEU B 38 -8.982 12.433 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -10.779 13.561 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -10.402 11.937 -2.199 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -9.792 13.380 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -9.121 14.951 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.036 14.789 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.442 14.406 -4.029 1.00 0.00 H new ATOM 1585 N GLU B 39 -9.535 9.744 -4.304 1.00 0.00 N ATOM 1586 CA GLU B 39 -10.781 9.022 -4.593 1.00 0.00 C ATOM 1587 C GLU B 39 -10.674 7.513 -4.326 1.00 0.00 C ATOM 1588 O GLU B 39 -11.583 6.914 -3.747 1.00 0.00 O ATOM 1589 CB GLU B 39 -11.197 9.309 -6.047 1.00 0.00 C ATOM 1590 CG GLU B 39 -12.550 8.691 -6.424 1.00 0.00 C ATOM 1591 CD GLU B 39 -12.956 9.089 -7.857 1.00 0.00 C ATOM 1592 OE1 GLU B 39 -13.624 10.138 -8.034 1.00 0.00 O ATOM 1593 OE2 GLU B 39 -12.622 8.353 -8.817 1.00 0.00 O ATOM 0 H GLU B 39 -9.065 10.105 -5.134 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.551 9.384 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -11.243 10.387 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -10.430 8.925 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.493 7.605 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -13.314 9.021 -5.720 1.00 0.00 H new ATOM 1600 N ASP B 40 -9.544 6.901 -4.676 1.00 0.00 N ATOM 1601 CA ASP B 40 -9.212 5.530 -4.324 1.00 0.00 C ATOM 1602 C ASP B 40 -9.115 5.330 -2.800 1.00 0.00 C ATOM 1603 O ASP B 40 -9.576 4.310 -2.291 1.00 0.00 O ATOM 1604 CB ASP B 40 -7.875 5.208 -5.002 1.00 0.00 C ATOM 1605 CG ASP B 40 -7.967 4.603 -6.413 1.00 0.00 C ATOM 1606 OD1 ASP B 40 -9.071 4.475 -6.996 1.00 0.00 O ATOM 1607 OD2 ASP B 40 -6.885 4.243 -6.933 1.00 0.00 O ATOM 0 H ASP B 40 -8.818 7.360 -5.226 1.00 0.00 H new ATOM 0 HA ASP B 40 -10.000 4.858 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -7.288 6.125 -5.058 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.324 4.515 -4.366 1.00 0.00 H new ATOM 1612 N GLU B 41 -8.574 6.298 -2.047 1.00 0.00 N ATOM 1613 CA GLU B 41 -8.485 6.177 -0.584 1.00 0.00 C ATOM 1614 C GLU B 41 -9.864 6.295 0.069 1.00 0.00 C ATOM 1615 O GLU B 41 -10.179 5.528 0.975 1.00 0.00 O ATOM 1616 CB GLU B 41 -7.531 7.193 0.072 1.00 0.00 C ATOM 1617 CG GLU B 41 -6.045 7.182 -0.330 1.00 0.00 C ATOM 1618 CD GLU B 41 -5.346 5.820 -0.377 1.00 0.00 C ATOM 1619 OE1 GLU B 41 -5.828 4.788 0.159 1.00 0.00 O ATOM 1620 OE2 GLU B 41 -4.235 5.735 -0.956 1.00 0.00 O ATOM 0 H GLU B 41 -8.194 7.167 -2.422 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.070 5.184 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -7.921 8.190 -0.132 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.582 7.045 1.151 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -5.957 7.642 -1.314 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -5.501 7.818 0.368 1.00 0.00 H new ATOM 1627 N GLU B 42 -10.730 7.182 -0.427 1.00 0.00 N ATOM 1628 CA GLU B 42 -12.130 7.238 0.002 1.00 0.00 C ATOM 1629 C GLU B 42 -12.846 5.892 -0.217 1.00 0.00 C ATOM 1630 O GLU B 42 -13.603 5.445 0.649 1.00 0.00 O ATOM 1631 CB GLU B 42 -12.843 8.403 -0.705 1.00 0.00 C ATOM 1632 CG GLU B 42 -14.253 8.642 -0.149 1.00 0.00 C ATOM 1633 CD GLU B 42 -14.885 9.904 -0.767 1.00 0.00 C ATOM 1634 OE1 GLU B 42 -15.489 9.812 -1.862 1.00 0.00 O ATOM 1635 OE2 GLU B 42 -14.799 10.996 -0.152 1.00 0.00 O ATOM 0 H GLU B 42 -10.483 7.877 -1.132 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.162 7.424 1.076 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -12.251 9.311 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -12.906 8.194 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -14.882 7.777 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -14.207 8.748 0.935 1.00 0.00 H new ATOM 1642 N LYS B 43 -12.548 5.193 -1.323 1.00 0.00 N ATOM 1643 CA LYS B 43 -13.055 3.837 -1.589 1.00 0.00 C ATOM 1644 C LYS B 43 -12.492 2.784 -0.626 1.00 0.00 C ATOM 1645 O LYS B 43 -13.247 1.934 -0.161 1.00 0.00 O ATOM 1646 CB LYS B 43 -12.817 3.445 -3.062 1.00 0.00 C ATOM 1647 CG LYS B 43 -14.075 2.838 -3.706 1.00 0.00 C ATOM 1648 CD LYS B 43 -15.143 3.908 -4.008 1.00 0.00 C ATOM 1649 CE LYS B 43 -16.484 3.308 -4.455 1.00 0.00 C ATOM 1650 NZ LYS B 43 -16.411 2.665 -5.794 1.00 0.00 N ATOM 0 H LYS B 43 -11.945 5.554 -2.062 1.00 0.00 H new ATOM 0 HA LYS B 43 -14.130 3.861 -1.407 1.00 0.00 H new ATOM 0 HB2 LYS B 43 -12.509 4.325 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS B 43 -11.998 2.728 -3.119 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -13.800 2.330 -4.630 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -14.495 2.084 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -15.302 4.516 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -14.772 4.574 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -16.810 2.571 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -17.239 4.094 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -17.343 2.278 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -16.127 3.371 -6.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -15.711 1.896 -5.772 1.00 0.00 H new ATOM 1664 N HIS B 44 -11.211 2.847 -0.247 1.00 0.00 N ATOM 1665 CA HIS B 44 -10.626 1.984 0.760 1.00 0.00 C ATOM 1666 C HIS B 44 -11.286 2.192 2.124 1.00 0.00 C ATOM 1667 O HIS B 44 -11.667 1.219 2.767 1.00 0.00 O ATOM 1668 CB HIS B 44 -9.131 2.302 0.816 1.00 0.00 C ATOM 1669 CG HIS B 44 -8.328 2.006 -0.427 1.00 0.00 C ATOM 1670 ND1 HIS B 44 -6.962 2.306 -0.616 1.00 0.00 N ATOM 1671 CD2 HIS B 44 -8.825 1.417 -1.551 1.00 0.00 C ATOM 1672 CE1 HIS B 44 -6.709 1.901 -1.888 1.00 0.00 C ATOM 1673 NE2 HIS B 44 -7.808 1.384 -2.460 1.00 0.00 N ATOM 0 H HIS B 44 -10.549 3.513 -0.644 1.00 0.00 H new ATOM 0 HA HIS B 44 -10.785 0.938 0.500 1.00 0.00 H new ATOM 0 HB2 HIS B 44 -9.017 3.360 1.051 1.00 0.00 H new ATOM 0 HB3 HIS B 44 -8.695 1.743 1.644 1.00 0.00 H new ATOM 0 HD2 HIS B 44 -9.830 1.048 -1.694 1.00 0.00 H new ATOM 0 HE1 HIS B 44 -5.749 1.984 -2.375 1.00 0.00 H new ATOM 0 HE2 HIS B 44 -7.872 1.027 -3.413 1.00 0.00 H new ATOM 1681 N ILE B 45 -11.478 3.449 2.535 1.00 0.00 N ATOM 1682 CA ILE B 45 -12.176 3.826 3.769 1.00 0.00 C ATOM 1683 C ILE B 45 -13.641 3.344 3.778 1.00 0.00 C ATOM 1684 O ILE B 45 -14.094 2.833 4.803 1.00 0.00 O ATOM 1685 CB ILE B 45 -12.012 5.352 4.011 1.00 0.00 C ATOM 1686 CG1 ILE B 45 -10.732 5.674 4.824 1.00 0.00 C ATOM 1687 CG2 ILE B 45 -13.202 5.971 4.763 1.00 0.00 C ATOM 1688 CD1 ILE B 45 -9.407 5.546 4.070 1.00 0.00 C ATOM 0 H ILE B 45 -11.144 4.254 2.005 1.00 0.00 H new ATOM 0 HA ILE B 45 -11.718 3.313 4.614 1.00 0.00 H new ATOM 0 HB ILE B 45 -11.950 5.785 3.013 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -10.814 6.692 5.204 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -10.700 5.012 5.690 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -13.029 7.038 4.902 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -14.114 5.823 4.185 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -13.307 5.491 5.736 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -8.583 5.795 4.738 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.289 4.523 3.714 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -9.404 6.229 3.220 1.00 0.00 H new ATOM 1700 N GLU B 46 -14.371 3.417 2.656 1.00 0.00 N ATOM 1701 CA GLU B 46 -15.712 2.827 2.537 1.00 0.00 C ATOM 1702 C GLU B 46 -15.709 1.332 2.878 1.00 0.00 C ATOM 1703 O GLU B 46 -16.514 0.872 3.690 1.00 0.00 O ATOM 1704 CB GLU B 46 -16.258 3.017 1.111 1.00 0.00 C ATOM 1705 CG GLU B 46 -16.942 4.360 0.855 1.00 0.00 C ATOM 1706 CD GLU B 46 -18.317 4.445 1.544 1.00 0.00 C ATOM 1707 OE1 GLU B 46 -19.318 3.944 0.976 1.00 0.00 O ATOM 1708 OE2 GLU B 46 -18.413 5.024 2.654 1.00 0.00 O ATOM 0 H GLU B 46 -14.050 3.885 1.808 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.353 3.343 3.252 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -15.435 2.905 0.405 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -16.969 2.218 0.901 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -16.304 5.167 1.216 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -17.064 4.507 -0.218 1.00 0.00 H new ATOM 1715 N TRP B 47 -14.781 0.573 2.293 1.00 0.00 N ATOM 1716 CA TRP B 47 -14.705 -0.869 2.479 1.00 0.00 C ATOM 1717 C TRP B 47 -14.199 -1.243 3.881 1.00 0.00 C ATOM 1718 O TRP B 47 -14.707 -2.178 4.496 1.00 0.00 O ATOM 1719 CB TRP B 47 -13.776 -1.453 1.412 1.00 0.00 C ATOM 1720 CG TRP B 47 -14.018 -1.133 -0.040 1.00 0.00 C ATOM 1721 CD1 TRP B 47 -15.173 -0.751 -0.641 1.00 0.00 C ATOM 1722 CD2 TRP B 47 -13.023 -1.161 -1.107 1.00 0.00 C ATOM 1723 NE1 TRP B 47 -14.937 -0.504 -1.985 1.00 0.00 N ATOM 1724 CE2 TRP B 47 -13.624 -0.749 -2.329 1.00 0.00 C ATOM 1725 CE3 TRP B 47 -11.659 -1.497 -1.147 1.00 0.00 C ATOM 1726 CZ2 TRP B 47 -12.892 -0.660 -3.526 1.00 0.00 C ATOM 1727 CZ3 TRP B 47 -10.910 -1.434 -2.336 1.00 0.00 C ATOM 1728 CH2 TRP B 47 -11.525 -1.001 -3.527 1.00 0.00 C ATOM 0 H TRP B 47 -14.060 0.947 1.675 1.00 0.00 H new ATOM 0 HA TRP B 47 -15.708 -1.284 2.380 1.00 0.00 H new ATOM 0 HB2 TRP B 47 -12.762 -1.133 1.652 1.00 0.00 H new ATOM 0 HB3 TRP B 47 -13.801 -2.538 1.516 1.00 0.00 H new ATOM 0 HD1 TRP B 47 -16.129 -0.654 -0.148 1.00 0.00 H new ATOM 0 HE1 TRP B 47 -15.649 -0.180 -2.640 1.00 0.00 H new ATOM 0 HE3 TRP B 47 -11.171 -1.813 -0.237 1.00 0.00 H new ATOM 0 HZ2 TRP B 47 -13.373 -0.333 -4.436 1.00 0.00 H new ATOM 0 HZ3 TRP B 47 -9.868 -1.716 -2.336 1.00 0.00 H new ATOM 0 HH2 TRP B 47 -10.950 -0.931 -4.439 1.00 0.00 H new ATOM 1739 N LEU B 48 -13.241 -0.484 4.419 1.00 0.00 N ATOM 1740 CA LEU B 48 -12.737 -0.584 5.792 1.00 0.00 C ATOM 1741 C LEU B 48 -13.848 -0.427 6.836 1.00 0.00 C ATOM 1742 O LEU B 48 -13.935 -1.224 7.768 1.00 0.00 O ATOM 1743 CB LEU B 48 -11.652 0.491 5.980 1.00 0.00 C ATOM 1744 CG LEU B 48 -10.263 0.071 5.475 1.00 0.00 C ATOM 1745 CD1 LEU B 48 -9.350 1.295 5.396 1.00 0.00 C ATOM 1746 CD2 LEU B 48 -9.603 -0.950 6.407 1.00 0.00 C ATOM 0 H LEU B 48 -12.774 0.250 3.886 1.00 0.00 H new ATOM 0 HA LEU B 48 -12.320 -1.580 5.945 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -11.959 1.397 5.458 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -11.582 0.741 7.039 1.00 0.00 H new ATOM 0 HG LEU B 48 -10.400 -0.381 4.493 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -8.366 0.992 5.037 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -9.778 2.025 4.709 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -9.254 1.742 6.386 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -8.623 -1.221 6.014 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.489 -0.515 7.400 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -10.227 -1.841 6.471 1.00 0.00 H new ATOM 1758 N GLU B 49 -14.738 0.549 6.654 1.00 0.00 N ATOM 1759 CA GLU B 49 -15.939 0.709 7.490 1.00 0.00 C ATOM 1760 C GLU B 49 -16.894 -0.478 7.358 1.00 0.00 C ATOM 1761 O GLU B 49 -17.397 -1.007 8.349 1.00 0.00 O ATOM 1762 CB GLU B 49 -16.693 1.989 7.094 1.00 0.00 C ATOM 1763 CG GLU B 49 -17.631 2.461 8.214 1.00 0.00 C ATOM 1764 CD GLU B 49 -18.474 3.674 7.778 1.00 0.00 C ATOM 1765 OE1 GLU B 49 -19.597 3.477 7.248 1.00 0.00 O ATOM 1766 OE2 GLU B 49 -18.041 4.833 7.987 1.00 0.00 O ATOM 0 H GLU B 49 -14.651 1.255 5.923 1.00 0.00 H new ATOM 0 HA GLU B 49 -15.600 0.768 8.524 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -15.977 2.777 6.862 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -17.270 1.806 6.188 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -18.292 1.644 8.504 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -17.044 2.723 9.094 1.00 0.00 H new ATOM 1773 N THR B 50 -17.101 -0.928 6.121 1.00 0.00 N ATOM 1774 CA THR B 50 -17.963 -2.072 5.790 1.00 0.00 C ATOM 1775 C THR B 50 -17.471 -3.382 6.423 1.00 0.00 C ATOM 1776 O THR B 50 -18.274 -4.240 6.797 1.00 0.00 O ATOM 1777 CB THR B 50 -18.091 -2.162 4.259 1.00 0.00 C ATOM 1778 OG1 THR B 50 -18.986 -1.174 3.789 1.00 0.00 O ATOM 1779 CG2 THR B 50 -18.590 -3.494 3.725 1.00 0.00 C ATOM 0 H THR B 50 -16.668 -0.502 5.302 1.00 0.00 H new ATOM 0 HA THR B 50 -18.952 -1.912 6.219 1.00 0.00 H new ATOM 0 HB THR B 50 -17.072 -2.024 3.898 1.00 0.00 H new ATOM 0 HG1 THR B 50 -18.500 -0.335 3.644 1.00 0.00 H new ATOM 0 HG21 THR B 50 -18.644 -3.453 2.637 1.00 0.00 H new ATOM 0 HG22 THR B 50 -17.904 -4.286 4.024 1.00 0.00 H new ATOM 0 HG23 THR B 50 -19.581 -3.700 4.130 1.00 0.00 H new ATOM 1787 N ILE B 51 -16.156 -3.509 6.606 1.00 0.00 N ATOM 1788 CA ILE B 51 -15.477 -4.643 7.254 1.00 0.00 C ATOM 1789 C ILE B 51 -15.372 -4.501 8.787 1.00 0.00 C ATOM 1790 O ILE B 51 -15.151 -5.486 9.494 1.00 0.00 O ATOM 1791 CB ILE B 51 -14.120 -4.873 6.535 1.00 0.00 C ATOM 1792 CG1 ILE B 51 -14.318 -5.415 5.095 1.00 0.00 C ATOM 1793 CG2 ILE B 51 -13.144 -5.786 7.294 1.00 0.00 C ATOM 1794 CD1 ILE B 51 -14.881 -6.841 4.976 1.00 0.00 C ATOM 0 H ILE B 51 -15.500 -2.793 6.293 1.00 0.00 H new ATOM 0 HA ILE B 51 -16.082 -5.542 7.140 1.00 0.00 H new ATOM 0 HB ILE B 51 -13.664 -3.884 6.499 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -14.986 -4.738 4.563 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -13.357 -5.383 4.582 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -12.223 -5.892 6.720 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -12.917 -5.348 8.266 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -13.598 -6.767 7.435 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -14.975 -7.108 3.924 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -14.207 -7.541 5.470 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -15.861 -6.886 5.451 1.00 0.00 H new ATOM 1806 N ASN B 52 -15.627 -3.308 9.322 1.00 0.00 N ATOM 1807 CA ASN B 52 -15.556 -2.985 10.752 1.00 0.00 C ATOM 1808 C ASN B 52 -16.961 -2.815 11.373 1.00 0.00 C ATOM 1809 O ASN B 52 -17.380 -1.711 11.736 1.00 0.00 O ATOM 1810 CB ASN B 52 -14.622 -1.775 10.953 1.00 0.00 C ATOM 1811 CG ASN B 52 -14.354 -1.466 12.420 1.00 0.00 C ATOM 1812 OD1 ASN B 52 -14.561 -2.275 13.316 1.00 0.00 O ATOM 1813 ND2 ASN B 52 -13.869 -0.282 12.720 1.00 0.00 N ATOM 0 H ASN B 52 -15.899 -2.507 8.752 1.00 0.00 H new ATOM 0 HA ASN B 52 -15.120 -3.821 11.300 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -13.675 -1.967 10.449 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -15.064 -0.899 10.478 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -13.669 -0.044 13.691 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -13.693 0.399 11.981 1.00 0.00 H new ATOM 1820 N GLY B 53 -17.699 -3.931 11.475 1.00 0.00 N ATOM 1821 CA GLY B 53 -19.059 -4.015 12.034 1.00 0.00 C ATOM 1822 C GLY B 53 -19.379 -5.394 12.612 1.00 0.00 C ATOM 1823 O GLY B 53 -19.328 -6.386 11.852 1.00 0.00 O ATOM 1824 OXT GLY B 53 -19.673 -5.474 13.826 1.00 0.00 O ATOM 0 H GLY B 53 -17.352 -4.836 11.158 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -19.173 -3.264 12.815 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -19.782 -3.776 11.254 1.00 0.00 H new TER 1828 GLY B 53 HETATM 1829 ZN ZN A 54 -2.750 4.913 -1.667 1.00 0.00 ZN HETATM 1830 ZN ZN B 154 -5.625 3.136 0.812 1.00 0.00 ZN