USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 562 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 Set 1.1: B 10 LYS NZ :NH3+ 148:sc= -0.14 (180deg=-1.2!) USER MOD Set 1.2: C 10 LYS NZ :NH3+ 149:sc= -0.0981 (180deg=-1) USER MOD Single : A 1 CYS N :NH3+ -156:sc= 0.659 (180deg=0.332) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= -0.722 (180deg=-0.728) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 CYS N :NH3+ 177:sc= -0.176 (180deg=-0.184) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -114:sc= -0.0671 (180deg=-0.786) USER MOD Single : C 1 CYS N :NH3+ 167:sc= 0.227 (180deg=0.101) USER MOD Single : C 1 CYS SG : rot 180:sc= 0.113 USER MOD Single : C 2 TYR OH : rot 161:sc= -2.62! USER MOD Single : C 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 2 TYR OH : rot 180:sc= -0.345 USER MOD Single : D 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 10 LYS NZ :NH3+ 180:sc=-0.00374 (180deg=-0.00374) USER MOD Single : D 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 1.136 2.005 -9.074 1.00 0.00 N ATOM 2 CA CYS A 1 2.444 2.627 -8.711 1.00 0.00 C ATOM 3 C CYS A 1 3.526 1.586 -8.575 1.00 0.00 C ATOM 4 O CYS A 1 3.903 1.201 -7.494 1.00 0.00 O ATOM 5 CB CYS A 1 2.213 3.338 -7.383 1.00 0.00 C ATOM 6 SG CYS A 1 1.598 2.156 -6.158 1.00 0.00 S ATOM 0 H1 CYS A 1 0.536 2.710 -9.547 1.00 0.00 H new ATOM 0 H2 CYS A 1 1.299 1.203 -9.716 1.00 0.00 H new ATOM 0 H3 CYS A 1 0.661 1.668 -8.212 1.00 0.00 H new ATOM 0 HA CYS A 1 2.778 3.317 -9.485 1.00 0.00 H new ATOM 0 HB2 CYS A 1 3.142 3.788 -7.034 1.00 0.00 H new ATOM 0 HB3 CYS A 1 1.496 4.148 -7.513 1.00 0.00 H new ATOM 13 N TYR A 2 4.081 1.186 -9.674 1.00 0.00 N ATOM 14 CA TYR A 2 5.203 0.236 -9.619 1.00 0.00 C ATOM 15 C TYR A 2 6.435 1.063 -9.244 1.00 0.00 C ATOM 16 O TYR A 2 7.437 0.557 -8.789 1.00 0.00 O ATOM 17 CB TYR A 2 5.313 -0.333 -11.041 1.00 0.00 C ATOM 18 CG TYR A 2 6.105 0.627 -11.893 1.00 0.00 C ATOM 19 CD1 TYR A 2 7.495 0.673 -11.768 1.00 0.00 C ATOM 20 CD2 TYR A 2 5.450 1.490 -12.774 1.00 0.00 C ATOM 21 CE1 TYR A 2 8.236 1.577 -12.524 1.00 0.00 C ATOM 22 CE2 TYR A 2 6.190 2.400 -13.532 1.00 0.00 C ATOM 23 CZ TYR A 2 7.584 2.446 -13.409 1.00 0.00 C ATOM 24 OH TYR A 2 8.316 3.345 -14.159 1.00 0.00 O ATOM 0 H TYR A 2 3.802 1.479 -10.610 1.00 0.00 H new ATOM 0 HA TYR A 2 5.089 -0.577 -8.902 1.00 0.00 H new ATOM 0 HB2 TYR A 2 5.800 -1.308 -11.020 1.00 0.00 H new ATOM 0 HB3 TYR A 2 4.320 -0.482 -11.465 1.00 0.00 H new ATOM 0 HD1 TYR A 2 7.997 0.005 -11.083 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.375 1.454 -12.869 1.00 0.00 H new ATOM 0 HE1 TYR A 2 9.311 1.609 -12.429 1.00 0.00 H new ATOM 0 HE2 TYR A 2 5.686 3.069 -14.214 1.00 0.00 H new ATOM 0 HH TYR A 2 7.710 3.871 -14.722 1.00 0.00 H new ATOM 34 N LEU A 3 6.341 2.357 -9.456 1.00 0.00 N ATOM 35 CA LEU A 3 7.462 3.274 -9.139 1.00 0.00 C ATOM 36 C LEU A 3 8.000 2.976 -7.750 1.00 0.00 C ATOM 37 O LEU A 3 9.194 2.879 -7.545 1.00 0.00 O ATOM 38 CB LEU A 3 6.842 4.658 -9.190 1.00 0.00 C ATOM 39 CG LEU A 3 6.944 5.216 -10.598 1.00 0.00 C ATOM 40 CD1 LEU A 3 6.084 4.377 -11.541 1.00 0.00 C ATOM 41 CD2 LEU A 3 6.451 6.663 -10.609 1.00 0.00 C ATOM 0 H LEU A 3 5.515 2.815 -9.843 1.00 0.00 H new ATOM 0 HA LEU A 3 8.300 3.173 -9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.797 4.610 -8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.350 5.320 -8.489 1.00 0.00 H new ATOM 0 HG LEU A 3 7.982 5.184 -10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.157 4.777 -12.552 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.435 3.345 -11.533 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.045 4.409 -11.212 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.524 7.065 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.413 6.696 -10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.065 7.262 -9.936 1.00 0.00 H new ATOM 53 N ARG A 4 7.133 2.807 -6.787 1.00 0.00 N ATOM 54 CA ARG A 4 7.632 2.489 -5.428 1.00 0.00 C ATOM 55 C ARG A 4 8.480 1.227 -5.508 1.00 0.00 C ATOM 56 O ARG A 4 9.236 0.917 -4.610 1.00 0.00 O ATOM 57 CB ARG A 4 6.407 2.283 -4.518 1.00 0.00 C ATOM 58 CG ARG A 4 5.260 1.571 -5.249 1.00 0.00 C ATOM 59 CD ARG A 4 5.790 0.350 -5.999 1.00 0.00 C ATOM 60 NE ARG A 4 4.645 -0.590 -6.095 1.00 0.00 N ATOM 61 CZ ARG A 4 4.143 -1.124 -5.014 1.00 0.00 C ATOM 62 NH1 ARG A 4 4.873 -1.222 -3.936 1.00 0.00 N ATOM 63 NH2 ARG A 4 2.913 -1.561 -5.010 1.00 0.00 N ATOM 0 H ARG A 4 6.120 2.875 -6.884 1.00 0.00 H new ATOM 0 HA ARG A 4 8.249 3.291 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.698 1.699 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.060 3.250 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.498 1.264 -4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.783 2.258 -5.948 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.154 0.626 -6.989 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.626 -0.104 -5.467 1.00 0.00 H new ATOM 0 HE ARG A 4 4.250 -0.819 -7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.835 -0.882 -3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.482 -1.639 -3.091 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.342 -1.486 -5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 4 2.523 -1.978 -4.165 1.00 0.00 H new ATOM 77 N ARG A 5 8.367 0.500 -6.589 1.00 0.00 N ATOM 78 CA ARG A 5 9.186 -0.739 -6.726 1.00 0.00 C ATOM 79 C ARG A 5 10.445 -0.444 -7.545 1.00 0.00 C ATOM 80 O ARG A 5 11.432 -1.149 -7.466 1.00 0.00 O ATOM 81 CB ARG A 5 8.270 -1.756 -7.431 1.00 0.00 C ATOM 82 CG ARG A 5 8.594 -1.845 -8.929 1.00 0.00 C ATOM 83 CD ARG A 5 7.378 -2.382 -9.680 1.00 0.00 C ATOM 84 NE ARG A 5 7.440 -3.856 -9.497 1.00 0.00 N ATOM 85 CZ ARG A 5 7.072 -4.649 -10.465 1.00 0.00 C ATOM 86 NH1 ARG A 5 7.840 -4.805 -11.508 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.934 -5.283 -10.389 1.00 0.00 N ATOM 0 H ARG A 5 7.750 0.708 -7.374 1.00 0.00 H new ATOM 0 HA ARG A 5 9.528 -1.126 -5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.389 -2.737 -6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.228 -1.465 -7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.867 -0.862 -9.312 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.452 -2.499 -9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.452 -1.972 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.414 -2.112 -10.736 1.00 0.00 H new ATOM 0 HE ARG A 5 7.770 -4.247 -8.615 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.728 -4.307 -11.566 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.552 -5.425 -12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.334 -5.158 -9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.644 -5.904 -11.145 1.00 0.00 H new ATOM 101 N PHE A 6 10.410 0.590 -8.332 1.00 0.00 N ATOM 102 CA PHE A 6 11.593 0.935 -9.161 1.00 0.00 C ATOM 103 C PHE A 6 12.415 2.024 -8.468 1.00 0.00 C ATOM 104 O PHE A 6 13.614 1.905 -8.315 1.00 0.00 O ATOM 105 CB PHE A 6 10.996 1.414 -10.486 1.00 0.00 C ATOM 106 CG PHE A 6 11.783 2.550 -11.064 1.00 0.00 C ATOM 107 CD1 PHE A 6 12.862 2.286 -11.901 1.00 0.00 C ATOM 108 CD2 PHE A 6 11.416 3.862 -10.775 1.00 0.00 C ATOM 109 CE1 PHE A 6 13.584 3.341 -12.454 1.00 0.00 C ATOM 110 CE2 PHE A 6 12.136 4.919 -11.323 1.00 0.00 C ATOM 111 CZ PHE A 6 13.224 4.663 -12.167 1.00 0.00 C ATOM 0 H PHE A 6 9.610 1.214 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 6 12.277 0.100 -9.314 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.973 0.587 -11.196 1.00 0.00 H new ATOM 0 HB3 PHE A 6 9.964 1.728 -10.329 1.00 0.00 H new ATOM 0 HD1 PHE A 6 13.139 1.266 -12.122 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.575 4.059 -10.127 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.422 3.139 -13.105 1.00 0.00 H new ATOM 0 HE2 PHE A 6 11.856 5.937 -11.097 1.00 0.00 H new ATOM 0 HZ PHE A 6 13.783 5.482 -12.595 1.00 0.00 H new ATOM 121 N PHE A 7 11.784 3.084 -8.047 1.00 0.00 N ATOM 122 CA PHE A 7 12.542 4.161 -7.373 1.00 0.00 C ATOM 123 C PHE A 7 13.049 3.662 -6.016 1.00 0.00 C ATOM 124 O PHE A 7 14.053 4.126 -5.511 1.00 0.00 O ATOM 125 CB PHE A 7 11.551 5.332 -7.248 1.00 0.00 C ATOM 126 CG PHE A 7 11.004 5.451 -5.842 1.00 0.00 C ATOM 127 CD1 PHE A 7 11.841 5.865 -4.798 1.00 0.00 C ATOM 128 CD2 PHE A 7 9.660 5.158 -5.586 1.00 0.00 C ATOM 129 CE1 PHE A 7 11.335 5.984 -3.500 1.00 0.00 C ATOM 130 CE2 PHE A 7 9.154 5.277 -4.285 1.00 0.00 C ATOM 131 CZ PHE A 7 9.991 5.689 -3.243 1.00 0.00 C ATOM 0 H PHE A 7 10.781 3.246 -8.142 1.00 0.00 H new ATOM 0 HA PHE A 7 13.429 4.476 -7.923 1.00 0.00 H new ATOM 0 HB2 PHE A 7 12.048 6.261 -7.525 1.00 0.00 H new ATOM 0 HB3 PHE A 7 10.728 5.189 -7.948 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.878 6.092 -4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.013 4.840 -6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.981 6.304 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 7 8.117 5.050 -4.087 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.600 5.780 -2.240 1.00 0.00 H new ATOM 141 N LYS A 8 12.373 2.711 -5.427 1.00 0.00 N ATOM 142 CA LYS A 8 12.830 2.185 -4.117 1.00 0.00 C ATOM 143 C LYS A 8 14.296 1.765 -4.216 1.00 0.00 C ATOM 144 O LYS A 8 15.138 2.238 -3.479 1.00 0.00 O ATOM 145 CB LYS A 8 11.942 0.986 -3.835 1.00 0.00 C ATOM 146 CG LYS A 8 11.073 1.276 -2.610 1.00 0.00 C ATOM 147 CD LYS A 8 10.409 -0.016 -2.134 1.00 0.00 C ATOM 148 CE LYS A 8 8.904 0.213 -1.967 1.00 0.00 C ATOM 149 NZ LYS A 8 8.473 -0.782 -0.945 1.00 0.00 N ATOM 0 H LYS A 8 11.527 2.280 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 8 12.761 2.927 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.313 0.774 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.553 0.100 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.682 1.699 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.313 2.017 -2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.588 -0.815 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.846 -0.335 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.694 1.231 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.376 0.065 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.438 -0.756 -0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.770 -1.734 -1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.910 -0.551 -0.030 1.00 0.00 H new ATOM 163 N ALA A 9 14.607 0.887 -5.131 1.00 0.00 N ATOM 164 CA ALA A 9 16.016 0.448 -5.287 1.00 0.00 C ATOM 165 C ALA A 9 16.887 1.648 -5.658 1.00 0.00 C ATOM 166 O ALA A 9 18.048 1.724 -5.305 1.00 0.00 O ATOM 167 CB ALA A 9 15.993 -0.569 -6.428 1.00 0.00 C ATOM 0 H ALA A 9 13.944 0.457 -5.775 1.00 0.00 H new ATOM 0 HA ALA A 9 16.424 0.018 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.002 -0.941 -6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.341 -1.401 -6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.619 -0.091 -7.334 1.00 0.00 H new ATOM 173 N LYS A 10 16.328 2.589 -6.368 1.00 0.00 N ATOM 174 CA LYS A 10 17.092 3.785 -6.769 1.00 0.00 C ATOM 175 C LYS A 10 17.398 4.654 -5.550 1.00 0.00 C ATOM 176 O LYS A 10 18.537 4.809 -5.158 1.00 0.00 O ATOM 177 CB LYS A 10 16.163 4.498 -7.728 1.00 0.00 C ATOM 178 CG LYS A 10 16.969 5.078 -8.885 1.00 0.00 C ATOM 179 CD LYS A 10 16.982 6.592 -8.756 1.00 0.00 C ATOM 180 CE LYS A 10 15.723 7.169 -9.410 1.00 0.00 C ATOM 181 NZ LYS A 10 15.567 8.527 -8.819 1.00 0.00 N ATOM 0 H LYS A 10 15.360 2.572 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 10 18.056 3.548 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.412 3.804 -8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.629 5.294 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.987 4.688 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.529 4.783 -9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.023 6.878 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.873 7.001 -9.233 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.830 7.220 -10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 10 14.852 6.547 -9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.724 8.985 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.460 8.447 -7.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.408 9.099 -9.036 1.00 0.00 H new ATOM 195 N LYS A 11 16.393 5.222 -4.945 1.00 0.00 N ATOM 196 CA LYS A 11 16.632 6.075 -3.751 1.00 0.00 C ATOM 197 C LYS A 11 17.607 5.377 -2.800 1.00 0.00 C ATOM 198 O LYS A 11 18.382 6.012 -2.110 1.00 0.00 O ATOM 199 CB LYS A 11 15.261 6.235 -3.096 1.00 0.00 C ATOM 200 CG LYS A 11 14.599 7.517 -3.605 1.00 0.00 C ATOM 201 CD LYS A 11 15.463 8.722 -3.230 1.00 0.00 C ATOM 202 CE LYS A 11 14.727 9.575 -2.194 1.00 0.00 C ATOM 203 NZ LYS A 11 14.355 10.821 -2.919 1.00 0.00 N ATOM 0 H LYS A 11 15.417 5.132 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 11 17.071 7.039 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.634 5.373 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.366 6.273 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.473 7.469 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.604 7.621 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 11 16.419 8.386 -2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.682 9.316 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.844 9.061 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.364 9.792 -1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.846 11.459 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.216 11.292 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.743 10.584 -3.726 1.00 0.00 H new ATOM 217 N LEU A 12 17.569 4.073 -2.755 1.00 0.00 N ATOM 218 CA LEU A 12 18.481 3.327 -1.851 1.00 0.00 C ATOM 219 C LEU A 12 19.938 3.488 -2.297 1.00 0.00 C ATOM 220 O LEU A 12 20.852 3.101 -1.597 1.00 0.00 O ATOM 221 CB LEU A 12 18.047 1.866 -1.971 1.00 0.00 C ATOM 222 CG LEU A 12 16.751 1.659 -1.191 1.00 0.00 C ATOM 223 CD1 LEU A 12 16.207 0.261 -1.478 1.00 0.00 C ATOM 224 CD2 LEU A 12 17.028 1.798 0.307 1.00 0.00 C ATOM 0 H LEU A 12 16.941 3.492 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 12 18.426 3.692 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.900 1.603 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 12 18.827 1.210 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 12 16.019 2.407 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 12 15.281 0.110 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 12 16.011 0.159 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 12 16.940 -0.485 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.102 1.650 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.759 1.049 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.420 2.794 0.514 1.00 0.00 H new ATOM 236 N ILE A 13 20.165 4.050 -3.454 1.00 0.00 N ATOM 237 CA ILE A 13 21.570 4.222 -3.929 1.00 0.00 C ATOM 238 C ILE A 13 21.703 5.458 -4.797 1.00 0.00 C ATOM 239 O ILE A 13 22.284 5.432 -5.864 1.00 0.00 O ATOM 240 CB ILE A 13 21.894 2.965 -4.740 1.00 0.00 C ATOM 241 CG1 ILE A 13 20.695 2.561 -5.601 1.00 0.00 C ATOM 242 CG2 ILE A 13 22.247 1.818 -3.795 1.00 0.00 C ATOM 243 CD1 ILE A 13 21.059 2.709 -7.079 1.00 0.00 C ATOM 0 H ILE A 13 19.444 4.396 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 13 22.255 4.351 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 13 22.742 3.180 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 13 20.410 1.531 -5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 13 19.835 3.186 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 13 22.477 0.925 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 13 23.115 2.094 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 13 21.402 1.615 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 13 20.206 2.422 -7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 13 21.323 3.746 -7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 13 21.907 2.065 -7.311 1.00 0.00 H new ATOM 255 N GLU A 14 21.152 6.535 -4.349 1.00 0.00 N ATOM 256 CA GLU A 14 21.209 7.782 -5.125 1.00 0.00 C ATOM 257 C GLU A 14 21.619 8.957 -4.233 1.00 0.00 C ATOM 258 O GLU A 14 22.742 8.949 -3.757 1.00 0.00 O ATOM 259 CB GLU A 14 19.783 7.933 -5.610 1.00 0.00 C ATOM 260 CG GLU A 14 19.458 6.771 -6.542 1.00 0.00 C ATOM 261 CD GLU A 14 19.812 7.151 -7.980 1.00 0.00 C ATOM 262 OE1 GLU A 14 19.897 8.337 -8.255 1.00 0.00 O ATOM 263 OE2 GLU A 14 19.996 6.250 -8.783 1.00 0.00 O ATOM 264 OXT GLU A 14 20.802 9.842 -4.041 1.00 0.00 O ATOM 0 H GLU A 14 20.655 6.604 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 14 21.939 7.763 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 14 19.095 7.943 -4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.660 8.882 -6.132 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.016 5.884 -6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.400 6.521 -6.472 1.00 0.00 H new ATOM 272 N CYS B 1 0.680 3.866 -1.698 1.00 0.00 N ATOM 273 CA CYS B 1 1.836 3.348 -2.488 1.00 0.00 C ATOM 274 C CYS B 1 3.143 3.666 -1.779 1.00 0.00 C ATOM 275 O CYS B 1 4.214 3.554 -2.341 1.00 0.00 O ATOM 276 CB CYS B 1 1.760 4.077 -3.826 1.00 0.00 C ATOM 277 SG CYS B 1 0.517 3.287 -4.879 1.00 0.00 S ATOM 0 H1 CYS B 1 -0.203 3.687 -2.217 1.00 0.00 H new ATOM 0 H2 CYS B 1 0.644 3.383 -0.778 1.00 0.00 H new ATOM 0 H3 CYS B 1 0.793 4.889 -1.548 1.00 0.00 H new ATOM 0 HA CYS B 1 1.799 2.266 -2.612 1.00 0.00 H new ATOM 0 HB2 CYS B 1 1.504 5.124 -3.667 1.00 0.00 H new ATOM 0 HB3 CYS B 1 2.733 4.058 -4.318 1.00 0.00 H new ATOM 284 N TYR B 2 3.064 4.030 -0.540 1.00 0.00 N ATOM 285 CA TYR B 2 4.296 4.319 0.224 1.00 0.00 C ATOM 286 C TYR B 2 4.320 3.356 1.400 1.00 0.00 C ATOM 287 O TYR B 2 5.344 2.858 1.802 1.00 0.00 O ATOM 288 CB TYR B 2 4.156 5.777 0.683 1.00 0.00 C ATOM 289 CG TYR B 2 3.514 5.790 2.043 1.00 0.00 C ATOM 290 CD1 TYR B 2 4.295 5.531 3.168 1.00 0.00 C ATOM 291 CD2 TYR B 2 2.143 6.006 2.168 1.00 0.00 C ATOM 292 CE1 TYR B 2 3.708 5.493 4.430 1.00 0.00 C ATOM 293 CE2 TYR B 2 1.548 5.975 3.432 1.00 0.00 C ATOM 294 CZ TYR B 2 2.332 5.717 4.568 1.00 0.00 C ATOM 295 OH TYR B 2 1.748 5.680 5.817 1.00 0.00 O ATOM 0 H TYR B 2 2.194 4.141 -0.020 1.00 0.00 H new ATOM 0 HA TYR B 2 5.220 4.196 -0.341 1.00 0.00 H new ATOM 0 HB2 TYR B 2 5.134 6.258 0.721 1.00 0.00 H new ATOM 0 HB3 TYR B 2 3.551 6.341 -0.027 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.356 5.360 3.061 1.00 0.00 H new ATOM 0 HD2 TYR B 2 1.542 6.197 1.291 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.313 5.291 5.302 1.00 0.00 H new ATOM 0 HE2 TYR B 2 0.487 6.149 3.535 1.00 0.00 H new ATOM 0 HH TYR B 2 0.788 5.857 5.734 1.00 0.00 H new ATOM 305 N LEU B 3 3.162 3.086 1.932 1.00 0.00 N ATOM 306 CA LEU B 3 3.050 2.145 3.054 1.00 0.00 C ATOM 307 C LEU B 3 3.929 0.941 2.770 1.00 0.00 C ATOM 308 O LEU B 3 4.742 0.536 3.576 1.00 0.00 O ATOM 309 CB LEU B 3 1.588 1.763 3.046 1.00 0.00 C ATOM 310 CG LEU B 3 1.178 1.406 4.444 1.00 0.00 C ATOM 311 CD1 LEU B 3 0.026 2.302 4.895 1.00 0.00 C ATOM 312 CD2 LEU B 3 0.757 -0.059 4.479 1.00 0.00 C ATOM 0 H LEU B 3 2.278 3.491 1.623 1.00 0.00 H new ATOM 0 HA LEU B 3 3.364 2.552 4.015 1.00 0.00 H new ATOM 0 HB2 LEU B 3 0.983 2.590 2.674 1.00 0.00 H new ATOM 0 HB3 LEU B 3 1.421 0.920 2.376 1.00 0.00 H new ATOM 0 HG LEU B 3 2.016 1.557 5.124 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -0.266 2.036 5.911 1.00 0.00 H new ATOM 0 HD12 LEU B 3 0.344 3.344 4.870 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -0.824 2.166 4.226 1.00 0.00 H new ATOM 0 HD21 LEU B 3 0.457 -0.327 5.492 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -0.081 -0.213 3.800 1.00 0.00 H new ATOM 0 HD23 LEU B 3 1.594 -0.686 4.170 1.00 0.00 H new ATOM 324 N ARG B 4 3.783 0.390 1.602 1.00 0.00 N ATOM 325 CA ARG B 4 4.623 -0.769 1.210 1.00 0.00 C ATOM 326 C ARG B 4 6.058 -0.476 1.631 1.00 0.00 C ATOM 327 O ARG B 4 6.813 -1.357 1.988 1.00 0.00 O ATOM 328 CB ARG B 4 4.515 -0.839 -0.316 1.00 0.00 C ATOM 329 CG ARG B 4 3.042 -0.783 -0.732 1.00 0.00 C ATOM 330 CD ARG B 4 2.711 0.605 -1.298 1.00 0.00 C ATOM 331 NE ARG B 4 1.229 0.706 -1.200 1.00 0.00 N ATOM 332 CZ ARG B 4 0.476 -0.169 -1.807 1.00 0.00 C ATOM 333 NH1 ARG B 4 0.174 -1.291 -1.214 1.00 0.00 N ATOM 334 NH2 ARG B 4 0.025 0.078 -3.006 1.00 0.00 N ATOM 0 H ARG B 4 3.112 0.695 0.897 1.00 0.00 H new ATOM 0 HA ARG B 4 4.314 -1.707 1.671 1.00 0.00 H new ATOM 0 HB2 ARG B 4 5.062 -0.011 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG B 4 4.971 -1.759 -0.681 1.00 0.00 H new ATOM 0 HG2 ARG B 4 2.837 -1.549 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG B 4 2.404 -0.997 0.126 1.00 0.00 H new ATOM 0 HD2 ARG B 4 3.201 1.393 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG B 4 3.048 0.703 -2.330 1.00 0.00 H new ATOM 0 HE ARG B 4 0.803 1.458 -0.659 1.00 0.00 H new ATOM 0 HH11 ARG B 4 0.527 -1.483 -0.276 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -0.415 -1.976 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG B 4 0.261 0.956 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -0.564 -0.607 -3.480 1.00 0.00 H new ATOM 348 N ARG B 5 6.423 0.775 1.599 1.00 0.00 N ATOM 349 CA ARG B 5 7.800 1.170 2.008 1.00 0.00 C ATOM 350 C ARG B 5 7.853 1.444 3.518 1.00 0.00 C ATOM 351 O ARG B 5 8.894 1.348 4.137 1.00 0.00 O ATOM 352 CB ARG B 5 8.116 2.434 1.188 1.00 0.00 C ATOM 353 CG ARG B 5 7.887 3.707 2.018 1.00 0.00 C ATOM 354 CD ARG B 5 7.561 4.875 1.085 1.00 0.00 C ATOM 355 NE ARG B 5 8.856 5.590 0.904 1.00 0.00 N ATOM 356 CZ ARG B 5 8.976 6.515 -0.011 1.00 0.00 C ATOM 357 NH1 ARG B 5 7.950 6.847 -0.749 1.00 0.00 N ATOM 358 NH2 ARG B 5 10.123 7.110 -0.186 1.00 0.00 N ATOM 0 H ARG B 5 5.823 1.546 1.305 1.00 0.00 H new ATOM 0 HA ARG B 5 8.532 0.385 1.820 1.00 0.00 H new ATOM 0 HB2 ARG B 5 9.151 2.400 0.847 1.00 0.00 H new ATOM 0 HB3 ARG B 5 7.488 2.459 0.298 1.00 0.00 H new ATOM 0 HG2 ARG B 5 7.070 3.552 2.723 1.00 0.00 H new ATOM 0 HG3 ARG B 5 8.776 3.935 2.606 1.00 0.00 H new ATOM 0 HD2 ARG B 5 7.167 4.522 0.132 1.00 0.00 H new ATOM 0 HD3 ARG B 5 6.805 5.529 1.519 1.00 0.00 H new ATOM 0 HE ARG B 5 9.652 5.356 1.497 1.00 0.00 H new ATOM 0 HH11 ARG B 5 7.052 6.384 -0.612 1.00 0.00 H new ATOM 0 HH12 ARG B 5 8.047 7.570 -1.462 1.00 0.00 H new ATOM 0 HH21 ARG B 5 10.924 6.853 0.391 1.00 0.00 H new ATOM 0 HH22 ARG B 5 10.219 7.832 -0.900 1.00 0.00 H new ATOM 372 N PHE B 6 6.745 1.791 4.109 1.00 0.00 N ATOM 373 CA PHE B 6 6.743 2.079 5.570 1.00 0.00 C ATOM 374 C PHE B 6 6.467 0.801 6.374 1.00 0.00 C ATOM 375 O PHE B 6 7.108 0.538 7.372 1.00 0.00 O ATOM 376 CB PHE B 6 5.644 3.125 5.758 1.00 0.00 C ATOM 377 CG PHE B 6 4.957 2.953 7.075 1.00 0.00 C ATOM 378 CD1 PHE B 6 5.474 3.569 8.210 1.00 0.00 C ATOM 379 CD2 PHE B 6 3.799 2.188 7.151 1.00 0.00 C ATOM 380 CE1 PHE B 6 4.828 3.416 9.435 1.00 0.00 C ATOM 381 CE2 PHE B 6 3.148 2.033 8.370 1.00 0.00 C ATOM 382 CZ PHE B 6 3.660 2.648 9.519 1.00 0.00 C ATOM 0 H PHE B 6 5.842 1.888 3.645 1.00 0.00 H new ATOM 0 HA PHE B 6 7.705 2.445 5.928 1.00 0.00 H new ATOM 0 HB2 PHE B 6 6.075 4.124 5.697 1.00 0.00 H new ATOM 0 HB3 PHE B 6 4.916 3.041 4.951 1.00 0.00 H new ATOM 0 HD1 PHE B 6 6.373 4.164 8.142 1.00 0.00 H new ATOM 0 HD2 PHE B 6 3.405 1.714 6.264 1.00 0.00 H new ATOM 0 HE1 PHE B 6 5.228 3.890 10.319 1.00 0.00 H new ATOM 0 HE2 PHE B 6 2.248 1.439 8.430 1.00 0.00 H new ATOM 0 HZ PHE B 6 3.156 2.530 10.467 1.00 0.00 H new ATOM 392 N PHE B 7 5.516 0.008 5.961 1.00 0.00 N ATOM 393 CA PHE B 7 5.212 -1.230 6.720 1.00 0.00 C ATOM 394 C PHE B 7 6.340 -2.254 6.539 1.00 0.00 C ATOM 395 O PHE B 7 6.638 -3.026 7.428 1.00 0.00 O ATOM 396 CB PHE B 7 3.867 -1.723 6.158 1.00 0.00 C ATOM 397 CG PHE B 7 4.061 -2.842 5.155 1.00 0.00 C ATOM 398 CD1 PHE B 7 4.477 -4.108 5.589 1.00 0.00 C ATOM 399 CD2 PHE B 7 3.812 -2.614 3.796 1.00 0.00 C ATOM 400 CE1 PHE B 7 4.647 -5.144 4.663 1.00 0.00 C ATOM 401 CE2 PHE B 7 3.980 -3.652 2.871 1.00 0.00 C ATOM 402 CZ PHE B 7 4.399 -4.917 3.305 1.00 0.00 C ATOM 0 H PHE B 7 4.941 0.166 5.134 1.00 0.00 H new ATOM 0 HA PHE B 7 5.141 -1.064 7.795 1.00 0.00 H new ATOM 0 HB2 PHE B 7 3.236 -2.071 6.975 1.00 0.00 H new ATOM 0 HB3 PHE B 7 3.344 -0.893 5.682 1.00 0.00 H new ATOM 0 HD1 PHE B 7 4.666 -4.284 6.638 1.00 0.00 H new ATOM 0 HD2 PHE B 7 3.491 -1.639 3.462 1.00 0.00 H new ATOM 0 HE1 PHE B 7 4.970 -6.119 4.997 1.00 0.00 H new ATOM 0 HE2 PHE B 7 3.787 -3.478 1.823 1.00 0.00 H new ATOM 0 HZ PHE B 7 4.530 -5.717 2.591 1.00 0.00 H new ATOM 412 N LYS B 8 6.968 -2.267 5.394 1.00 0.00 N ATOM 413 CA LYS B 8 8.068 -3.239 5.166 1.00 0.00 C ATOM 414 C LYS B 8 9.147 -3.079 6.238 1.00 0.00 C ATOM 415 O LYS B 8 9.500 -4.019 6.923 1.00 0.00 O ATOM 416 CB LYS B 8 8.624 -2.899 3.795 1.00 0.00 C ATOM 417 CG LYS B 8 8.326 -4.045 2.827 1.00 0.00 C ATOM 418 CD LYS B 8 9.124 -3.848 1.537 1.00 0.00 C ATOM 419 CE LYS B 8 8.183 -3.953 0.336 1.00 0.00 C ATOM 420 NZ LYS B 8 8.984 -4.630 -0.721 1.00 0.00 N ATOM 0 H LYS B 8 6.765 -1.647 4.610 1.00 0.00 H new ATOM 0 HA LYS B 8 7.720 -4.271 5.217 1.00 0.00 H new ATOM 0 HB2 LYS B 8 8.178 -1.974 3.429 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.699 -2.732 3.858 1.00 0.00 H new ATOM 0 HG2 LYS B 8 8.587 -4.999 3.286 1.00 0.00 H new ATOM 0 HG3 LYS B 8 7.259 -4.079 2.605 1.00 0.00 H new ATOM 0 HD2 LYS B 8 9.614 -2.874 1.545 1.00 0.00 H new ATOM 0 HD3 LYS B 8 9.910 -4.600 1.464 1.00 0.00 H new ATOM 0 HE2 LYS B 8 7.290 -4.527 0.583 1.00 0.00 H new ATOM 0 HE3 LYS B 8 7.849 -2.968 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 8.406 -4.739 -1.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 9.824 -4.057 -0.940 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 9.282 -5.567 -0.384 1.00 0.00 H new ATOM 434 N ALA B 9 9.668 -1.892 6.396 1.00 0.00 N ATOM 435 CA ALA B 9 10.712 -1.673 7.426 1.00 0.00 C ATOM 436 C ALA B 9 10.111 -1.894 8.809 1.00 0.00 C ATOM 437 O ALA B 9 10.809 -2.146 9.770 1.00 0.00 O ATOM 438 CB ALA B 9 11.152 -0.219 7.249 1.00 0.00 C ATOM 0 H ALA B 9 9.413 -1.067 5.854 1.00 0.00 H new ATOM 0 HA ALA B 9 11.555 -2.357 7.325 1.00 0.00 H new ATOM 0 HB1 ALA B 9 11.926 0.018 7.979 1.00 0.00 H new ATOM 0 HB2 ALA B 9 11.547 -0.078 6.243 1.00 0.00 H new ATOM 0 HB3 ALA B 9 10.297 0.441 7.399 1.00 0.00 H new ATOM 444 N LYS B 10 8.814 -1.812 8.914 1.00 0.00 N ATOM 445 CA LYS B 10 8.166 -2.028 10.215 1.00 0.00 C ATOM 446 C LYS B 10 8.333 -3.481 10.638 1.00 0.00 C ATOM 447 O LYS B 10 9.009 -3.773 11.597 1.00 0.00 O ATOM 448 CB LYS B 10 6.710 -1.704 9.966 1.00 0.00 C ATOM 449 CG LYS B 10 6.144 -0.940 11.160 1.00 0.00 C ATOM 450 CD LYS B 10 5.937 0.527 10.778 1.00 0.00 C ATOM 451 CE LYS B 10 5.704 1.359 12.042 1.00 0.00 C ATOM 452 NZ LYS B 10 7.013 1.355 12.752 1.00 0.00 N ATOM 0 H LYS B 10 8.180 -1.603 8.143 1.00 0.00 H new ATOM 0 HA LYS B 10 8.591 -1.417 11.011 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.610 -1.108 9.059 1.00 0.00 H new ATOM 0 HB3 LYS B 10 6.145 -2.622 9.808 1.00 0.00 H new ATOM 0 HG2 LYS B 10 5.198 -1.382 11.472 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.825 -1.013 12.008 1.00 0.00 H new ATOM 0 HD2 LYS B 10 6.809 0.900 10.241 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.084 0.621 10.106 1.00 0.00 H new ATOM 0 HE2 LYS B 10 5.392 2.374 11.795 1.00 0.00 H new ATOM 0 HE3 LYS B 10 4.918 0.926 12.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 7.132 2.252 13.265 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 7.040 0.564 13.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 7.783 1.247 12.061 1.00 0.00 H new ATOM 466 N LYS B 11 7.724 -4.391 9.919 1.00 0.00 N ATOM 467 CA LYS B 11 7.846 -5.839 10.266 1.00 0.00 C ATOM 468 C LYS B 11 9.242 -6.137 10.817 1.00 0.00 C ATOM 469 O LYS B 11 9.420 -6.994 11.660 1.00 0.00 O ATOM 470 CB LYS B 11 7.623 -6.579 8.948 1.00 0.00 C ATOM 471 CG LYS B 11 6.160 -7.013 8.849 1.00 0.00 C ATOM 472 CD LYS B 11 5.892 -8.127 9.861 1.00 0.00 C ATOM 473 CE LYS B 11 4.975 -9.179 9.232 1.00 0.00 C ATOM 474 NZ LYS B 11 5.813 -9.857 8.201 1.00 0.00 N ATOM 0 H LYS B 11 7.145 -4.191 9.103 1.00 0.00 H new ATOM 0 HA LYS B 11 7.132 -6.141 11.032 1.00 0.00 H new ATOM 0 HB2 LYS B 11 7.880 -5.933 8.108 1.00 0.00 H new ATOM 0 HB3 LYS B 11 8.276 -7.450 8.892 1.00 0.00 H new ATOM 0 HG2 LYS B 11 5.504 -6.165 9.043 1.00 0.00 H new ATOM 0 HG3 LYS B 11 5.940 -7.362 7.840 1.00 0.00 H new ATOM 0 HD2 LYS B 11 6.831 -8.586 10.170 1.00 0.00 H new ATOM 0 HD3 LYS B 11 5.429 -7.715 10.757 1.00 0.00 H new ATOM 0 HE2 LYS B 11 4.618 -9.888 9.979 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.095 -8.718 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 5.433 -9.652 7.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 6.791 -9.509 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 5.800 -10.884 8.364 1.00 0.00 H new ATOM 488 N LEU B 12 10.230 -5.426 10.350 1.00 0.00 N ATOM 489 CA LEU B 12 11.609 -5.649 10.840 1.00 0.00 C ATOM 490 C LEU B 12 11.722 -5.257 12.319 1.00 0.00 C ATOM 491 O LEU B 12 12.345 -5.943 13.105 1.00 0.00 O ATOM 492 CB LEU B 12 12.490 -4.748 9.972 1.00 0.00 C ATOM 493 CG LEU B 12 12.197 -5.001 8.489 1.00 0.00 C ATOM 494 CD1 LEU B 12 13.342 -4.440 7.644 1.00 0.00 C ATOM 495 CD2 LEU B 12 12.071 -6.507 8.233 1.00 0.00 C ATOM 0 H LEU B 12 10.136 -4.695 9.644 1.00 0.00 H new ATOM 0 HA LEU B 12 11.906 -6.696 10.771 1.00 0.00 H new ATOM 0 HB2 LEU B 12 12.305 -3.702 10.215 1.00 0.00 H new ATOM 0 HB3 LEU B 12 13.542 -4.943 10.182 1.00 0.00 H new ATOM 0 HG LEU B 12 11.262 -4.510 8.219 1.00 0.00 H new ATOM 0 HD11 LEU B 12 13.137 -4.618 6.589 1.00 0.00 H new ATOM 0 HD12 LEU B 12 13.433 -3.368 7.820 1.00 0.00 H new ATOM 0 HD13 LEU B 12 14.274 -4.933 7.921 1.00 0.00 H new ATOM 0 HD21 LEU B 12 11.863 -6.680 7.177 1.00 0.00 H new ATOM 0 HD22 LEU B 12 13.004 -7.002 8.505 1.00 0.00 H new ATOM 0 HD23 LEU B 12 11.257 -6.911 8.835 1.00 0.00 H new ATOM 507 N ILE B 13 11.141 -4.149 12.706 1.00 0.00 N ATOM 508 CA ILE B 13 11.247 -3.720 14.140 1.00 0.00 C ATOM 509 C ILE B 13 9.900 -3.326 14.730 1.00 0.00 C ATOM 510 O ILE B 13 9.756 -3.124 15.918 1.00 0.00 O ATOM 511 CB ILE B 13 12.178 -2.525 14.100 1.00 0.00 C ATOM 512 CG1 ILE B 13 11.684 -1.548 13.041 1.00 0.00 C ATOM 513 CG2 ILE B 13 13.582 -2.999 13.742 1.00 0.00 C ATOM 514 CD1 ILE B 13 11.634 -0.136 13.626 1.00 0.00 C ATOM 0 H ILE B 13 10.603 -3.528 12.102 1.00 0.00 H new ATOM 0 HA ILE B 13 11.610 -4.530 14.773 1.00 0.00 H new ATOM 0 HB ILE B 13 12.197 -2.032 15.072 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.346 -1.570 12.175 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.694 -1.843 12.693 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.258 -2.144 13.711 1.00 0.00 H new ATOM 0 HG22 ILE B 13 13.929 -3.709 14.493 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.565 -3.483 12.766 1.00 0.00 H new ATOM 0 HD11 ILE B 13 11.280 0.560 12.866 1.00 0.00 H new ATOM 0 HD12 ILE B 13 10.954 -0.119 14.478 1.00 0.00 H new ATOM 0 HD13 ILE B 13 12.632 0.158 13.952 1.00 0.00 H new ATOM 526 N GLU B 14 8.934 -3.256 13.898 1.00 0.00 N ATOM 527 CA GLU B 14 7.545 -2.911 14.327 1.00 0.00 C ATOM 528 C GLU B 14 7.557 -1.955 15.524 1.00 0.00 C ATOM 529 O GLU B 14 6.959 -2.294 16.532 1.00 0.00 O ATOM 530 CB GLU B 14 6.914 -4.254 14.707 1.00 0.00 C ATOM 531 CG GLU B 14 7.513 -5.374 13.843 1.00 0.00 C ATOM 532 CD GLU B 14 6.409 -6.344 13.419 1.00 0.00 C ATOM 533 OE1 GLU B 14 5.581 -5.953 12.612 1.00 0.00 O ATOM 534 OE2 GLU B 14 6.411 -7.462 13.906 1.00 0.00 O ATOM 535 OXT GLU B 14 8.165 -0.904 15.412 1.00 0.00 O ATOM 0 H GLU B 14 9.034 -3.427 12.897 1.00 0.00 H new ATOM 0 HA GLU B 14 6.989 -2.399 13.542 1.00 0.00 H new ATOM 0 HB2 GLU B 14 7.090 -4.463 15.762 1.00 0.00 H new ATOM 0 HB3 GLU B 14 5.834 -4.212 14.566 1.00 0.00 H new ATOM 0 HG2 GLU B 14 7.995 -4.949 12.963 1.00 0.00 H new ATOM 0 HG3 GLU B 14 8.283 -5.906 14.402 1.00 0.00 H new ATOM 543 N CYS C 1 23.394 -6.855 10.119 1.00 0.00 N ATOM 544 CA CYS C 1 22.867 -5.760 9.254 1.00 0.00 C ATOM 545 C CYS C 1 21.515 -5.291 9.753 1.00 0.00 C ATOM 546 O CYS C 1 20.485 -5.830 9.409 1.00 0.00 O ATOM 547 CB CYS C 1 22.753 -6.367 7.854 1.00 0.00 C ATOM 548 SG CYS C 1 24.410 -6.697 7.203 1.00 0.00 S ATOM 0 H1 CYS C 1 24.201 -7.312 9.648 1.00 0.00 H new ATOM 0 H2 CYS C 1 23.703 -6.460 11.030 1.00 0.00 H new ATOM 0 H3 CYS C 1 22.646 -7.558 10.283 1.00 0.00 H new ATOM 0 HA CYS C 1 23.519 -4.887 9.260 1.00 0.00 H new ATOM 0 HB2 CYS C 1 22.175 -7.290 7.892 1.00 0.00 H new ATOM 0 HB3 CYS C 1 22.220 -5.684 7.192 1.00 0.00 H new ATOM 0 HG CYS C 1 24.314 -7.215 6.014 1.00 0.00 H new ATOM 555 N TYR C 2 21.524 -4.270 10.556 1.00 0.00 N ATOM 556 CA TYR C 2 20.283 -3.718 11.084 1.00 0.00 C ATOM 557 C TYR C 2 20.591 -2.308 11.519 1.00 0.00 C ATOM 558 O TYR C 2 21.624 -1.777 11.172 1.00 0.00 O ATOM 559 CB TYR C 2 19.924 -4.607 12.265 1.00 0.00 C ATOM 560 CG TYR C 2 18.462 -4.904 12.191 1.00 0.00 C ATOM 561 CD1 TYR C 2 17.924 -5.368 10.995 1.00 0.00 C ATOM 562 CD2 TYR C 2 17.648 -4.699 13.303 1.00 0.00 C ATOM 563 CE1 TYR C 2 16.565 -5.635 10.902 1.00 0.00 C ATOM 564 CE2 TYR C 2 16.282 -4.964 13.218 1.00 0.00 C ATOM 565 CZ TYR C 2 15.734 -5.433 12.014 1.00 0.00 C ATOM 566 OH TYR C 2 14.382 -5.698 11.928 1.00 0.00 O ATOM 0 H TYR C 2 22.370 -3.793 10.868 1.00 0.00 H new ATOM 0 HA TYR C 2 19.456 -3.690 10.375 1.00 0.00 H new ATOM 0 HB2 TYR C 2 20.502 -5.530 12.237 1.00 0.00 H new ATOM 0 HB3 TYR C 2 20.165 -4.109 13.204 1.00 0.00 H new ATOM 0 HD1 TYR C 2 18.564 -5.521 10.138 1.00 0.00 H new ATOM 0 HD2 TYR C 2 18.074 -4.336 14.227 1.00 0.00 H new ATOM 0 HE1 TYR C 2 16.148 -5.998 9.974 1.00 0.00 H new ATOM 0 HE2 TYR C 2 15.646 -4.809 14.077 1.00 0.00 H new ATOM 0 HH TYR C 2 14.010 -5.795 12.829 1.00 0.00 H new ATOM 576 N LEU C 3 19.724 -1.696 12.248 1.00 0.00 N ATOM 577 CA LEU C 3 19.957 -0.302 12.695 1.00 0.00 C ATOM 578 C LEU C 3 19.975 0.626 11.478 1.00 0.00 C ATOM 579 O LEU C 3 19.259 1.604 11.415 1.00 0.00 O ATOM 580 CB LEU C 3 21.300 -0.327 13.410 1.00 0.00 C ATOM 581 CG LEU C 3 21.167 -1.090 14.717 1.00 0.00 C ATOM 582 CD1 LEU C 3 21.335 -2.589 14.483 1.00 0.00 C ATOM 583 CD2 LEU C 3 22.239 -0.623 15.689 1.00 0.00 C ATOM 0 H LEU C 3 18.844 -2.105 12.563 1.00 0.00 H new ATOM 0 HA LEU C 3 19.176 0.069 13.359 1.00 0.00 H new ATOM 0 HB2 LEU C 3 22.052 -0.798 12.777 1.00 0.00 H new ATOM 0 HB3 LEU C 3 21.639 0.691 13.604 1.00 0.00 H new ATOM 0 HG LEU C 3 20.176 -0.900 15.128 1.00 0.00 H new ATOM 0 HD11 LEU C 3 21.237 -3.118 15.431 1.00 0.00 H new ATOM 0 HD12 LEU C 3 20.568 -2.937 13.791 1.00 0.00 H new ATOM 0 HD13 LEU C 3 22.321 -2.783 14.060 1.00 0.00 H new ATOM 0 HD21 LEU C 3 22.143 -1.171 16.627 1.00 0.00 H new ATOM 0 HD22 LEU C 3 23.224 -0.807 15.260 1.00 0.00 H new ATOM 0 HD23 LEU C 3 22.119 0.444 15.878 1.00 0.00 H new ATOM 595 N ARG C 4 20.756 0.296 10.493 1.00 0.00 N ATOM 596 CA ARG C 4 20.797 1.125 9.259 1.00 0.00 C ATOM 597 C ARG C 4 19.457 0.984 8.561 1.00 0.00 C ATOM 598 O ARG C 4 18.806 1.953 8.236 1.00 0.00 O ATOM 599 CB ARG C 4 21.913 0.581 8.335 1.00 0.00 C ATOM 600 CG ARG C 4 22.830 -0.430 9.037 1.00 0.00 C ATOM 601 CD ARG C 4 22.360 -1.849 8.700 1.00 0.00 C ATOM 602 NE ARG C 4 22.273 -1.898 7.213 1.00 0.00 N ATOM 603 CZ ARG C 4 23.276 -1.489 6.482 1.00 0.00 C ATOM 604 NH1 ARG C 4 24.491 -1.538 6.955 1.00 0.00 N ATOM 605 NH2 ARG C 4 23.065 -1.033 5.278 1.00 0.00 N ATOM 0 H ARG C 4 21.372 -0.517 10.488 1.00 0.00 H new ATOM 0 HA ARG C 4 20.995 2.170 9.496 1.00 0.00 H new ATOM 0 HB2 ARG C 4 21.458 0.108 7.464 1.00 0.00 H new ATOM 0 HB3 ARG C 4 22.513 1.414 7.968 1.00 0.00 H new ATOM 0 HG2 ARG C 4 23.862 -0.289 8.715 1.00 0.00 H new ATOM 0 HG3 ARG C 4 22.808 -0.272 10.115 1.00 0.00 H new ATOM 0 HD2 ARG C 4 23.061 -2.594 9.077 1.00 0.00 H new ATOM 0 HD3 ARG C 4 21.393 -2.061 9.157 1.00 0.00 H new ATOM 0 HE ARG C 4 21.428 -2.252 6.765 1.00 0.00 H new ATOM 0 HH11 ARG C 4 24.658 -1.896 7.896 1.00 0.00 H new ATOM 0 HH12 ARG C 4 25.274 -1.219 6.384 1.00 0.00 H new ATOM 0 HH21 ARG C 4 22.116 -0.995 4.906 1.00 0.00 H new ATOM 0 HH22 ARG C 4 23.849 -0.714 4.709 1.00 0.00 H new ATOM 619 N ARG C 5 19.031 -0.232 8.345 1.00 0.00 N ATOM 620 CA ARG C 5 17.719 -0.447 7.682 1.00 0.00 C ATOM 621 C ARG C 5 16.590 -0.254 8.695 1.00 0.00 C ATOM 622 O ARG C 5 15.433 -0.471 8.400 1.00 0.00 O ATOM 623 CB ARG C 5 17.754 -1.886 7.173 1.00 0.00 C ATOM 624 CG ARG C 5 17.675 -2.855 8.353 1.00 0.00 C ATOM 625 CD ARG C 5 18.331 -4.180 7.962 1.00 0.00 C ATOM 626 NE ARG C 5 17.221 -5.171 7.946 1.00 0.00 N ATOM 627 CZ ARG C 5 17.487 -6.448 7.906 1.00 0.00 C ATOM 628 NH1 ARG C 5 18.680 -6.856 7.576 1.00 0.00 N ATOM 629 NH2 ARG C 5 16.558 -7.317 8.194 1.00 0.00 N ATOM 0 H ARG C 5 19.535 -1.081 8.599 1.00 0.00 H new ATOM 0 HA ARG C 5 17.543 0.257 6.869 1.00 0.00 H new ATOM 0 HB2 ARG C 5 16.922 -2.060 6.491 1.00 0.00 H new ATOM 0 HB3 ARG C 5 18.670 -2.060 6.609 1.00 0.00 H new ATOM 0 HG2 ARG C 5 18.177 -2.430 9.222 1.00 0.00 H new ATOM 0 HG3 ARG C 5 16.635 -3.020 8.634 1.00 0.00 H new ATOM 0 HD2 ARG C 5 18.811 -4.110 6.986 1.00 0.00 H new ATOM 0 HD3 ARG C 5 19.103 -4.464 8.677 1.00 0.00 H new ATOM 0 HE ARG C 5 16.252 -4.852 7.966 1.00 0.00 H new ATOM 0 HH11 ARG C 5 19.407 -6.177 7.349 1.00 0.00 H new ATOM 0 HH12 ARG C 5 18.887 -7.854 7.545 1.00 0.00 H new ATOM 0 HH21 ARG C 5 15.624 -6.998 8.450 1.00 0.00 H new ATOM 0 HH22 ARG C 5 16.766 -8.315 8.163 1.00 0.00 H new ATOM 643 N PHE C 6 16.920 0.159 9.890 1.00 0.00 N ATOM 644 CA PHE C 6 15.868 0.371 10.918 1.00 0.00 C ATOM 645 C PHE C 6 15.605 1.873 11.091 1.00 0.00 C ATOM 646 O PHE C 6 14.494 2.337 10.918 1.00 0.00 O ATOM 647 CB PHE C 6 16.432 -0.281 12.188 1.00 0.00 C ATOM 648 CG PHE C 6 16.234 0.592 13.387 1.00 0.00 C ATOM 649 CD1 PHE C 6 15.061 0.490 14.128 1.00 0.00 C ATOM 650 CD2 PHE C 6 17.228 1.492 13.756 1.00 0.00 C ATOM 651 CE1 PHE C 6 14.877 1.296 15.249 1.00 0.00 C ATOM 652 CE2 PHE C 6 17.051 2.299 14.876 1.00 0.00 C ATOM 653 CZ PHE C 6 15.874 2.204 15.627 1.00 0.00 C ATOM 0 H PHE C 6 17.873 0.358 10.195 1.00 0.00 H new ATOM 0 HA PHE C 6 14.906 -0.067 10.654 1.00 0.00 H new ATOM 0 HB2 PHE C 6 15.945 -1.242 12.352 1.00 0.00 H new ATOM 0 HB3 PHE C 6 17.495 -0.481 12.054 1.00 0.00 H new ATOM 0 HD1 PHE C 6 14.295 -0.212 13.835 1.00 0.00 H new ATOM 0 HD2 PHE C 6 18.135 1.565 13.175 1.00 0.00 H new ATOM 0 HE1 PHE C 6 13.967 1.221 15.826 1.00 0.00 H new ATOM 0 HE2 PHE C 6 17.822 2.998 15.165 1.00 0.00 H new ATOM 0 HZ PHE C 6 15.735 2.830 16.496 1.00 0.00 H new ATOM 663 N PHE C 7 16.609 2.642 11.427 1.00 0.00 N ATOM 664 CA PHE C 7 16.383 4.097 11.600 1.00 0.00 C ATOM 665 C PHE C 7 16.123 4.747 10.245 1.00 0.00 C ATOM 666 O PHE C 7 15.410 5.726 10.143 1.00 0.00 O ATOM 667 CB PHE C 7 17.654 4.650 12.268 1.00 0.00 C ATOM 668 CG PHE C 7 18.765 4.861 11.262 1.00 0.00 C ATOM 669 CD1 PHE C 7 18.642 5.829 10.257 1.00 0.00 C ATOM 670 CD2 PHE C 7 19.931 4.092 11.351 1.00 0.00 C ATOM 671 CE1 PHE C 7 19.680 6.023 9.341 1.00 0.00 C ATOM 672 CE2 PHE C 7 20.970 4.288 10.435 1.00 0.00 C ATOM 673 CZ PHE C 7 20.845 5.253 9.428 1.00 0.00 C ATOM 0 H PHE C 7 17.565 2.324 11.586 1.00 0.00 H new ATOM 0 HA PHE C 7 15.510 4.309 12.217 1.00 0.00 H new ATOM 0 HB2 PHE C 7 17.425 5.595 12.761 1.00 0.00 H new ATOM 0 HB3 PHE C 7 17.989 3.959 13.042 1.00 0.00 H new ATOM 0 HD1 PHE C 7 17.744 6.426 10.190 1.00 0.00 H new ATOM 0 HD2 PHE C 7 20.029 3.347 12.127 1.00 0.00 H new ATOM 0 HE1 PHE C 7 19.583 6.768 8.565 1.00 0.00 H new ATOM 0 HE2 PHE C 7 21.870 3.694 10.505 1.00 0.00 H new ATOM 0 HZ PHE C 7 21.646 5.403 8.720 1.00 0.00 H new ATOM 683 N LYS C 8 16.697 4.217 9.199 1.00 0.00 N ATOM 684 CA LYS C 8 16.477 4.815 7.862 1.00 0.00 C ATOM 685 C LYS C 8 14.984 4.883 7.553 1.00 0.00 C ATOM 686 O LYS C 8 14.464 5.914 7.174 1.00 0.00 O ATOM 687 CB LYS C 8 17.179 3.888 6.887 1.00 0.00 C ATOM 688 CG LYS C 8 18.587 4.411 6.608 1.00 0.00 C ATOM 689 CD LYS C 8 18.650 4.953 5.180 1.00 0.00 C ATOM 690 CE LYS C 8 17.855 6.258 5.094 1.00 0.00 C ATOM 691 NZ LYS C 8 17.814 6.586 3.641 1.00 0.00 N ATOM 0 H LYS C 8 17.306 3.399 9.217 1.00 0.00 H new ATOM 0 HA LYS C 8 16.862 5.833 7.801 1.00 0.00 H new ATOM 0 HB2 LYS C 8 17.229 2.880 7.299 1.00 0.00 H new ATOM 0 HB3 LYS C 8 16.613 3.824 5.958 1.00 0.00 H new ATOM 0 HG2 LYS C 8 18.843 5.196 7.319 1.00 0.00 H new ATOM 0 HG3 LYS C 8 19.317 3.612 6.739 1.00 0.00 H new ATOM 0 HD2 LYS C 8 19.687 5.126 4.891 1.00 0.00 H new ATOM 0 HD3 LYS C 8 18.243 4.220 4.483 1.00 0.00 H new ATOM 0 HE2 LYS C 8 16.851 6.137 5.500 1.00 0.00 H new ATOM 0 HE3 LYS C 8 18.336 7.052 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS C 8 17.285 7.470 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS C 8 18.784 6.702 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS C 8 17.345 5.815 3.124 1.00 0.00 H new ATOM 705 N ALA C 9 14.288 3.791 7.720 1.00 0.00 N ATOM 706 CA ALA C 9 12.833 3.794 7.446 1.00 0.00 C ATOM 707 C ALA C 9 12.135 4.667 8.482 1.00 0.00 C ATOM 708 O ALA C 9 11.083 5.226 8.242 1.00 0.00 O ATOM 709 CB ALA C 9 12.400 2.335 7.584 1.00 0.00 C ATOM 0 H ALA C 9 14.670 2.899 8.035 1.00 0.00 H new ATOM 0 HA ALA C 9 12.584 4.190 6.461 1.00 0.00 H new ATOM 0 HB1 ALA C 9 11.330 2.254 7.395 1.00 0.00 H new ATOM 0 HB2 ALA C 9 12.943 1.724 6.863 1.00 0.00 H new ATOM 0 HB3 ALA C 9 12.618 1.985 8.593 1.00 0.00 H new ATOM 715 N LYS C 10 12.728 4.788 9.636 1.00 0.00 N ATOM 716 CA LYS C 10 12.138 5.618 10.704 1.00 0.00 C ATOM 717 C LYS C 10 12.035 7.075 10.249 1.00 0.00 C ATOM 718 O LYS C 10 10.957 7.611 10.095 1.00 0.00 O ATOM 719 CB LYS C 10 13.114 5.480 11.856 1.00 0.00 C ATOM 720 CG LYS C 10 12.360 5.587 13.179 1.00 0.00 C ATOM 721 CD LYS C 10 12.094 4.186 13.732 1.00 0.00 C ATOM 722 CE LYS C 10 10.652 4.102 14.238 1.00 0.00 C ATOM 723 NZ LYS C 10 9.812 4.079 13.006 1.00 0.00 N ATOM 0 H LYS C 10 13.610 4.337 9.881 1.00 0.00 H new ATOM 0 HA LYS C 10 11.128 5.309 10.974 1.00 0.00 H new ATOM 0 HB2 LYS C 10 13.630 4.522 11.796 1.00 0.00 H new ATOM 0 HB3 LYS C 10 13.876 6.257 11.796 1.00 0.00 H new ATOM 0 HG2 LYS C 10 12.942 6.167 13.895 1.00 0.00 H new ATOM 0 HG3 LYS C 10 11.418 6.115 13.031 1.00 0.00 H new ATOM 0 HD2 LYS C 10 12.262 3.439 12.956 1.00 0.00 H new ATOM 0 HD3 LYS C 10 12.789 3.966 14.543 1.00 0.00 H new ATOM 0 HE2 LYS C 10 10.496 3.206 14.839 1.00 0.00 H new ATOM 0 HE3 LYS C 10 10.405 4.956 14.869 1.00 0.00 H new ATOM 0 HZ1 LYS C 10 8.950 3.525 13.184 1.00 0.00 H new ATOM 0 HZ2 LYS C 10 9.551 5.051 12.745 1.00 0.00 H new ATOM 0 HZ3 LYS C 10 10.348 3.644 12.228 1.00 0.00 H new ATOM 737 N LYS C 11 13.150 7.718 10.032 1.00 0.00 N ATOM 738 CA LYS C 11 13.122 9.139 9.586 1.00 0.00 C ATOM 739 C LYS C 11 12.026 9.339 8.533 1.00 0.00 C ATOM 740 O LYS C 11 11.384 10.369 8.476 1.00 0.00 O ATOM 741 CB LYS C 11 14.502 9.386 8.970 1.00 0.00 C ATOM 742 CG LYS C 11 15.432 10.003 10.018 1.00 0.00 C ATOM 743 CD LYS C 11 15.014 11.451 10.282 1.00 0.00 C ATOM 744 CE LYS C 11 15.631 11.930 11.599 1.00 0.00 C ATOM 745 NZ LYS C 11 15.515 13.414 11.557 1.00 0.00 N ATOM 0 H LYS C 11 14.082 7.319 10.145 1.00 0.00 H new ATOM 0 HA LYS C 11 12.909 9.826 10.405 1.00 0.00 H new ATOM 0 HB2 LYS C 11 14.921 8.448 8.605 1.00 0.00 H new ATOM 0 HB3 LYS C 11 14.414 10.051 8.111 1.00 0.00 H new ATOM 0 HG2 LYS C 11 15.389 9.427 10.942 1.00 0.00 H new ATOM 0 HG3 LYS C 11 16.464 9.969 9.669 1.00 0.00 H new ATOM 0 HD2 LYS C 11 15.341 12.090 9.462 1.00 0.00 H new ATOM 0 HD3 LYS C 11 13.927 11.524 10.330 1.00 0.00 H new ATOM 0 HE2 LYS C 11 15.102 11.516 12.457 1.00 0.00 H new ATOM 0 HE3 LYS C 11 16.672 11.617 11.685 1.00 0.00 H new ATOM 0 HZ1 LYS C 11 15.917 13.818 12.427 1.00 0.00 H new ATOM 0 HZ2 LYS C 11 16.034 13.780 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS C 11 14.513 13.682 11.482 1.00 0.00 H new ATOM 759 N LEU C 12 11.823 8.363 7.691 1.00 0.00 N ATOM 760 CA LEU C 12 10.790 8.483 6.630 1.00 0.00 C ATOM 761 C LEU C 12 9.381 8.532 7.231 1.00 0.00 C ATOM 762 O LEU C 12 8.421 8.833 6.550 1.00 0.00 O ATOM 763 CB LEU C 12 10.961 7.228 5.775 1.00 0.00 C ATOM 764 CG LEU C 12 12.215 7.372 4.912 1.00 0.00 C ATOM 765 CD1 LEU C 12 12.420 6.099 4.092 1.00 0.00 C ATOM 766 CD2 LEU C 12 12.048 8.564 3.967 1.00 0.00 C ATOM 0 H LEU C 12 12.335 7.481 7.695 1.00 0.00 H new ATOM 0 HA LEU C 12 10.908 9.400 6.053 1.00 0.00 H new ATOM 0 HB2 LEU C 12 11.044 6.348 6.413 1.00 0.00 H new ATOM 0 HB3 LEU C 12 10.085 7.083 5.143 1.00 0.00 H new ATOM 0 HG LEU C 12 13.081 7.534 5.554 1.00 0.00 H new ATOM 0 HD11 LEU C 12 13.314 6.202 3.477 1.00 0.00 H new ATOM 0 HD12 LEU C 12 12.538 5.249 4.764 1.00 0.00 H new ATOM 0 HD13 LEU C 12 11.555 5.937 3.450 1.00 0.00 H new ATOM 0 HD21 LEU C 12 12.941 8.668 3.351 1.00 0.00 H new ATOM 0 HD22 LEU C 12 11.182 8.401 3.326 1.00 0.00 H new ATOM 0 HD23 LEU C 12 11.902 9.473 4.550 1.00 0.00 H new ATOM 778 N ILE C 13 9.245 8.238 8.495 1.00 0.00 N ATOM 779 CA ILE C 13 7.887 8.269 9.119 1.00 0.00 C ATOM 780 C ILE C 13 7.963 8.697 10.573 1.00 0.00 C ATOM 781 O ILE C 13 7.430 8.054 11.456 1.00 0.00 O ATOM 782 CB ILE C 13 7.336 6.844 9.013 1.00 0.00 C ATOM 783 CG1 ILE C 13 8.450 5.818 9.229 1.00 0.00 C ATOM 784 CG2 ILE C 13 6.717 6.631 7.632 1.00 0.00 C ATOM 785 CD1 ILE C 13 8.071 4.897 10.391 1.00 0.00 C ATOM 0 H ILE C 13 10.008 7.979 9.121 1.00 0.00 H new ATOM 0 HA ILE C 13 7.243 8.988 8.612 1.00 0.00 H new ATOM 0 HB ILE C 13 6.577 6.710 9.784 1.00 0.00 H new ATOM 0 HG12 ILE C 13 8.603 5.234 8.322 1.00 0.00 H new ATOM 0 HG13 ILE C 13 9.391 6.325 9.444 1.00 0.00 H new ATOM 0 HG21 ILE C 13 6.326 5.616 7.561 1.00 0.00 H new ATOM 0 HG22 ILE C 13 5.906 7.343 7.483 1.00 0.00 H new ATOM 0 HG23 ILE C 13 7.477 6.782 6.865 1.00 0.00 H new ATOM 0 HD11 ILE C 13 8.863 4.164 10.548 1.00 0.00 H new ATOM 0 HD12 ILE C 13 7.940 5.489 11.297 1.00 0.00 H new ATOM 0 HD13 ILE C 13 7.140 4.381 10.157 1.00 0.00 H new ATOM 797 N GLU C 14 8.637 9.771 10.828 1.00 0.00 N ATOM 798 CA GLU C 14 8.781 10.254 12.208 1.00 0.00 C ATOM 799 C GLU C 14 8.517 11.762 12.285 1.00 0.00 C ATOM 800 O GLU C 14 9.395 12.474 12.747 1.00 0.00 O ATOM 801 CB GLU C 14 10.228 9.936 12.523 1.00 0.00 C ATOM 802 CG GLU C 14 10.415 8.423 12.484 1.00 0.00 C ATOM 803 CD GLU C 14 10.132 7.836 13.868 1.00 0.00 C ATOM 804 OE1 GLU C 14 10.920 8.081 14.766 1.00 0.00 O ATOM 805 OE2 GLU C 14 9.133 7.150 14.004 1.00 0.00 O ATOM 806 OXT GLU C 14 7.444 12.177 11.881 1.00 0.00 O ATOM 0 H GLU C 14 9.101 10.343 10.122 1.00 0.00 H new ATOM 0 HA GLU C 14 8.079 9.798 12.906 1.00 0.00 H new ATOM 0 HB2 GLU C 14 10.887 10.417 11.800 1.00 0.00 H new ATOM 0 HB3 GLU C 14 10.495 10.325 13.506 1.00 0.00 H new ATOM 0 HG2 GLU C 14 9.744 7.982 11.747 1.00 0.00 H new ATOM 0 HG3 GLU C 14 11.432 8.180 12.175 1.00 0.00 H new ATOM 826 N TYR D 2 22.112 -4.904 1.182 1.00 0.00 N ATOM 827 CA TYR D 2 21.194 -3.973 0.492 1.00 0.00 C ATOM 828 C TYR D 2 21.359 -4.200 -1.012 1.00 0.00 C ATOM 829 O TYR D 2 20.429 -4.081 -1.783 1.00 0.00 O ATOM 830 CB TYR D 2 21.635 -2.566 0.948 1.00 0.00 C ATOM 831 CG TYR D 2 22.391 -1.871 -0.147 1.00 0.00 C ATOM 832 CD1 TYR D 2 21.716 -1.446 -1.292 1.00 0.00 C ATOM 833 CD2 TYR D 2 23.763 -1.670 -0.022 1.00 0.00 C ATOM 834 CE1 TYR D 2 22.415 -0.815 -2.318 1.00 0.00 C ATOM 835 CE2 TYR D 2 24.470 -1.040 -1.044 1.00 0.00 C ATOM 836 CZ TYR D 2 23.797 -0.610 -2.199 1.00 0.00 C ATOM 837 OH TYR D 2 24.495 0.016 -3.212 1.00 0.00 O ATOM 0 HA TYR D 2 20.138 -4.112 0.722 1.00 0.00 H new ATOM 0 HB2 TYR D 2 20.761 -1.977 1.225 1.00 0.00 H new ATOM 0 HB3 TYR D 2 22.261 -2.645 1.837 1.00 0.00 H new ATOM 0 HD1 TYR D 2 20.652 -1.606 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR D 2 24.279 -2.002 0.867 1.00 0.00 H new ATOM 0 HE1 TYR D 2 21.893 -0.484 -3.204 1.00 0.00 H new ATOM 0 HE2 TYR D 2 25.534 -0.883 -0.948 1.00 0.00 H new ATOM 0 HH TYR D 2 25.442 0.078 -2.967 1.00 0.00 H new ATOM 847 N LEU D 3 22.544 -4.565 -1.418 1.00 0.00 N ATOM 848 CA LEU D 3 22.788 -4.848 -2.848 1.00 0.00 C ATOM 849 C LEU D 3 21.669 -5.749 -3.339 1.00 0.00 C ATOM 850 O LEU D 3 20.979 -5.452 -4.295 1.00 0.00 O ATOM 851 CB LEU D 3 24.117 -5.582 -2.864 1.00 0.00 C ATOM 852 CG LEU D 3 25.232 -4.630 -3.248 1.00 0.00 C ATOM 853 CD1 LEU D 3 25.248 -3.424 -2.306 1.00 0.00 C ATOM 854 CD2 LEU D 3 26.573 -5.359 -3.158 1.00 0.00 C ATOM 0 H LEU D 3 23.356 -4.678 -0.811 1.00 0.00 H new ATOM 0 HA LEU D 3 22.815 -3.962 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU D 3 24.316 -6.011 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU D 3 24.076 -6.410 -3.571 1.00 0.00 H new ATOM 0 HG LEU D 3 25.065 -4.282 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU D 3 26.054 -2.749 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU D 3 24.295 -2.900 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU D 3 25.407 -3.764 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU D 3 27.377 -4.677 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU D 3 26.729 -5.710 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU D 3 26.571 -6.211 -3.838 1.00 0.00 H new ATOM 866 N ARG D 4 21.471 -6.841 -2.657 1.00 0.00 N ATOM 867 CA ARG D 4 20.379 -7.765 -3.037 1.00 0.00 C ATOM 868 C ARG D 4 19.088 -6.967 -3.199 1.00 0.00 C ATOM 869 O ARG D 4 18.220 -7.326 -3.967 1.00 0.00 O ATOM 870 CB ARG D 4 20.278 -8.770 -1.881 1.00 0.00 C ATOM 871 CG ARG D 4 19.807 -8.065 -0.601 1.00 0.00 C ATOM 872 CD ARG D 4 21.015 -7.610 0.222 1.00 0.00 C ATOM 873 NE ARG D 4 20.457 -7.277 1.561 1.00 0.00 N ATOM 874 CZ ARG D 4 19.888 -8.206 2.280 1.00 0.00 C ATOM 875 NH1 ARG D 4 20.599 -9.193 2.754 1.00 0.00 N ATOM 876 NH2 ARG D 4 18.605 -8.150 2.522 1.00 0.00 N ATOM 0 H ARG D 4 22.023 -7.131 -1.850 1.00 0.00 H new ATOM 0 HA ARG D 4 20.561 -8.279 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG D 4 19.582 -9.567 -2.143 1.00 0.00 H new ATOM 0 HB3 ARG D 4 21.248 -9.238 -1.711 1.00 0.00 H new ATOM 0 HG2 ARG D 4 19.187 -7.206 -0.857 1.00 0.00 H new ATOM 0 HG3 ARG D 4 19.188 -8.741 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG D 4 21.766 -8.397 0.291 1.00 0.00 H new ATOM 0 HD3 ARG D 4 21.500 -6.745 -0.231 1.00 0.00 H new ATOM 0 HE ARG D 4 20.519 -6.323 1.917 1.00 0.00 H new ATOM 0 HH11 ARG D 4 21.600 -9.239 2.563 1.00 0.00 H new ATOM 0 HH12 ARG D 4 20.154 -9.919 3.316 1.00 0.00 H new ATOM 0 HH21 ARG D 4 18.049 -7.381 2.149 1.00 0.00 H new ATOM 0 HH22 ARG D 4 18.160 -8.876 3.084 1.00 0.00 H new ATOM 890 N ARG D 5 18.954 -5.878 -2.485 1.00 0.00 N ATOM 891 CA ARG D 5 17.708 -5.067 -2.623 1.00 0.00 C ATOM 892 C ARG D 5 17.919 -3.929 -3.630 1.00 0.00 C ATOM 893 O ARG D 5 17.055 -3.099 -3.831 1.00 0.00 O ATOM 894 CB ARG D 5 17.396 -4.540 -1.212 1.00 0.00 C ATOM 895 CG ARG D 5 17.856 -3.087 -1.045 1.00 0.00 C ATOM 896 CD ARG D 5 18.252 -2.845 0.411 1.00 0.00 C ATOM 897 NE ARG D 5 17.121 -2.078 1.003 1.00 0.00 N ATOM 898 CZ ARG D 5 17.233 -1.578 2.205 1.00 0.00 C ATOM 899 NH1 ARG D 5 18.295 -0.894 2.531 1.00 0.00 N ATOM 900 NH2 ARG D 5 16.283 -1.766 3.079 1.00 0.00 N ATOM 0 H ARG D 5 19.642 -5.520 -1.823 1.00 0.00 H new ATOM 0 HA ARG D 5 16.873 -5.654 -3.006 1.00 0.00 H new ATOM 0 HB2 ARG D 5 16.324 -4.608 -1.025 1.00 0.00 H new ATOM 0 HB3 ARG D 5 17.890 -5.167 -0.470 1.00 0.00 H new ATOM 0 HG2 ARG D 5 18.702 -2.884 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG D 5 17.056 -2.405 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG D 5 18.408 -3.786 0.938 1.00 0.00 H new ATOM 0 HD3 ARG D 5 19.185 -2.285 0.477 1.00 0.00 H new ATOM 0 HE ARG D 5 16.261 -1.943 0.471 1.00 0.00 H new ATOM 0 HH11 ARG D 5 19.038 -0.749 1.847 1.00 0.00 H new ATOM 0 HH12 ARG D 5 18.382 -0.504 3.469 1.00 0.00 H new ATOM 0 HH21 ARG D 5 15.454 -2.303 2.824 1.00 0.00 H new ATOM 0 HH22 ARG D 5 16.369 -1.376 4.018 1.00 0.00 H new ATOM 914 N PHE D 6 19.054 -3.887 -4.270 1.00 0.00 N ATOM 915 CA PHE D 6 19.302 -2.807 -5.265 1.00 0.00 C ATOM 916 C PHE D 6 19.418 -3.410 -6.668 1.00 0.00 C ATOM 917 O PHE D 6 18.823 -2.930 -7.612 1.00 0.00 O ATOM 918 CB PHE D 6 20.607 -2.136 -4.799 1.00 0.00 C ATOM 919 CG PHE D 6 21.666 -2.192 -5.861 1.00 0.00 C ATOM 920 CD1 PHE D 6 22.509 -3.297 -5.942 1.00 0.00 C ATOM 921 CD2 PHE D 6 21.804 -1.132 -6.754 1.00 0.00 C ATOM 922 CE1 PHE D 6 23.496 -3.345 -6.922 1.00 0.00 C ATOM 923 CE2 PHE D 6 22.788 -1.175 -7.736 1.00 0.00 C ATOM 924 CZ PHE D 6 23.640 -2.284 -7.824 1.00 0.00 C ATOM 0 H PHE D 6 19.818 -4.551 -4.148 1.00 0.00 H new ATOM 0 HA PHE D 6 18.494 -2.078 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE D 6 20.409 -1.097 -4.536 1.00 0.00 H new ATOM 0 HB3 PHE D 6 20.969 -2.630 -3.897 1.00 0.00 H new ATOM 0 HD1 PHE D 6 22.397 -4.115 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE D 6 21.147 -0.277 -6.684 1.00 0.00 H new ATOM 0 HE1 PHE D 6 24.151 -4.201 -6.987 1.00 0.00 H new ATOM 0 HE2 PHE D 6 22.895 -0.354 -8.430 1.00 0.00 H new ATOM 0 HZ PHE D 6 24.405 -2.320 -8.585 1.00 0.00 H new ATOM 934 N PHE D 7 20.183 -4.457 -6.813 1.00 0.00 N ATOM 935 CA PHE D 7 20.335 -5.078 -8.148 1.00 0.00 C ATOM 936 C PHE D 7 19.085 -5.890 -8.496 1.00 0.00 C ATOM 937 O PHE D 7 18.772 -6.102 -9.652 1.00 0.00 O ATOM 938 CB PHE D 7 21.593 -5.954 -8.040 1.00 0.00 C ATOM 939 CG PHE D 7 21.248 -7.371 -7.634 1.00 0.00 C ATOM 940 CD1 PHE D 7 20.611 -8.226 -8.541 1.00 0.00 C ATOM 941 CD2 PHE D 7 21.585 -7.834 -6.355 1.00 0.00 C ATOM 942 CE1 PHE D 7 20.306 -9.540 -8.171 1.00 0.00 C ATOM 943 CE2 PHE D 7 21.283 -9.149 -5.987 1.00 0.00 C ATOM 944 CZ PHE D 7 20.643 -10.003 -6.893 1.00 0.00 C ATOM 0 H PHE D 7 20.707 -4.905 -6.062 1.00 0.00 H new ATOM 0 HA PHE D 7 20.443 -4.346 -8.948 1.00 0.00 H new ATOM 0 HB2 PHE D 7 22.113 -5.965 -8.998 1.00 0.00 H new ATOM 0 HB3 PHE D 7 22.277 -5.522 -7.310 1.00 0.00 H new ATOM 0 HD1 PHE D 7 20.355 -7.871 -9.528 1.00 0.00 H new ATOM 0 HD2 PHE D 7 22.077 -7.176 -5.654 1.00 0.00 H new ATOM 0 HE1 PHE D 7 19.811 -10.197 -8.871 1.00 0.00 H new ATOM 0 HE2 PHE D 7 21.544 -9.506 -5.002 1.00 0.00 H new ATOM 0 HZ PHE D 7 20.409 -11.018 -6.607 1.00 0.00 H new ATOM 954 N LYS D 8 18.363 -6.342 -7.507 1.00 0.00 N ATOM 955 CA LYS D 8 17.140 -7.127 -7.793 1.00 0.00 C ATOM 956 C LYS D 8 16.148 -6.277 -8.587 1.00 0.00 C ATOM 957 O LYS D 8 15.672 -6.673 -9.632 1.00 0.00 O ATOM 958 CB LYS D 8 16.571 -7.491 -6.432 1.00 0.00 C ATOM 959 CG LYS D 8 16.748 -8.990 -6.188 1.00 0.00 C ATOM 960 CD LYS D 8 16.103 -9.370 -4.854 1.00 0.00 C ATOM 961 CE LYS D 8 16.938 -10.459 -4.175 1.00 0.00 C ATOM 962 NZ LYS D 8 16.445 -11.739 -4.754 1.00 0.00 N ATOM 0 H LYS D 8 18.570 -6.200 -6.518 1.00 0.00 H new ATOM 0 HA LYS D 8 17.347 -8.015 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS D 8 17.076 -6.923 -5.651 1.00 0.00 H new ATOM 0 HB3 LYS D 8 15.515 -7.227 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS D 8 16.292 -9.558 -6.999 1.00 0.00 H new ATOM 0 HG3 LYS D 8 17.808 -9.245 -6.177 1.00 0.00 H new ATOM 0 HD2 LYS D 8 16.034 -8.494 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS D 8 15.086 -9.726 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS D 8 18.001 -10.321 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS D 8 16.808 -10.439 -3.093 1.00 0.00 H new ATOM 0 HZ1 LYS D 8 16.970 -12.534 -4.337 1.00 0.00 H new ATOM 0 HZ2 LYS D 8 15.432 -11.847 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS D 8 16.588 -11.732 -5.784 1.00 0.00 H new ATOM 976 N ALA D 9 15.840 -5.103 -8.102 1.00 0.00 N ATOM 977 CA ALA D 9 14.892 -4.227 -8.830 1.00 0.00 C ATOM 978 C ALA D 9 15.556 -3.715 -10.106 1.00 0.00 C ATOM 979 O ALA D 9 14.901 -3.330 -11.055 1.00 0.00 O ATOM 980 CB ALA D 9 14.597 -3.072 -7.874 1.00 0.00 C ATOM 0 H ALA D 9 16.207 -4.718 -7.232 1.00 0.00 H new ATOM 0 HA ALA D 9 13.978 -4.745 -9.121 1.00 0.00 H new ATOM 0 HB1 ALA D 9 13.900 -2.379 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA D 9 14.157 -3.463 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA D 9 15.524 -2.549 -7.638 1.00 0.00 H new ATOM 986 N LYS D 10 16.858 -3.717 -10.129 1.00 0.00 N ATOM 987 CA LYS D 10 17.588 -3.244 -11.323 1.00 0.00 C ATOM 988 C LYS D 10 17.273 -4.137 -12.524 1.00 0.00 C ATOM 989 O LYS D 10 16.754 -3.687 -13.526 1.00 0.00 O ATOM 990 CB LYS D 10 19.051 -3.357 -10.932 1.00 0.00 C ATOM 991 CG LYS D 10 19.861 -2.267 -11.632 1.00 0.00 C ATOM 992 CD LYS D 10 20.391 -1.276 -10.593 1.00 0.00 C ATOM 993 CE LYS D 10 20.313 0.147 -11.150 1.00 0.00 C ATOM 994 NZ LYS D 10 19.969 1.002 -9.980 1.00 0.00 N ATOM 0 H LYS D 10 17.449 -4.031 -9.360 1.00 0.00 H new ATOM 0 HA LYS D 10 17.315 -2.230 -11.614 1.00 0.00 H new ATOM 0 HB2 LYS D 10 19.156 -3.263 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS D 10 19.435 -4.340 -11.205 1.00 0.00 H new ATOM 0 HG2 LYS D 10 20.690 -2.712 -12.181 1.00 0.00 H new ATOM 0 HG3 LYS D 10 19.238 -1.748 -12.360 1.00 0.00 H new ATOM 0 HD2 LYS D 10 19.808 -1.350 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS D 10 21.422 -1.520 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS D 10 21.261 0.449 -11.594 1.00 0.00 H new ATOM 0 HE3 LYS D 10 19.556 0.224 -11.931 1.00 0.00 H new ATOM 0 HZ1 LYS D 10 19.898 1.994 -10.284 1.00 0.00 H new ATOM 0 HZ2 LYS D 10 19.058 0.696 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS D 10 20.710 0.914 -9.256 1.00 0.00 H new ATOM 1008 N LYS D 11 17.581 -5.400 -12.429 1.00 0.00 N ATOM 1009 CA LYS D 11 17.303 -6.323 -13.563 1.00 0.00 C ATOM 1010 C LYS D 11 15.900 -6.068 -14.123 1.00 0.00 C ATOM 1011 O LYS D 11 15.653 -6.226 -15.302 1.00 0.00 O ATOM 1012 CB LYS D 11 17.390 -7.726 -12.961 1.00 0.00 C ATOM 1013 CG LYS D 11 18.479 -8.523 -13.678 1.00 0.00 C ATOM 1014 CD LYS D 11 18.181 -8.558 -15.178 1.00 0.00 C ATOM 1015 CE LYS D 11 18.635 -9.899 -15.758 1.00 0.00 C ATOM 1016 NZ LYS D 11 18.306 -9.819 -17.208 1.00 0.00 N ATOM 0 H LYS D 11 18.014 -5.833 -11.613 1.00 0.00 H new ATOM 0 HA LYS D 11 18.004 -6.187 -14.387 1.00 0.00 H new ATOM 0 HB2 LYS D 11 17.613 -7.663 -11.896 1.00 0.00 H new ATOM 0 HB3 LYS D 11 16.430 -8.234 -13.056 1.00 0.00 H new ATOM 0 HG2 LYS D 11 19.454 -8.069 -13.500 1.00 0.00 H new ATOM 0 HG3 LYS D 11 18.523 -9.537 -13.281 1.00 0.00 H new ATOM 0 HD2 LYS D 11 17.114 -8.418 -15.351 1.00 0.00 H new ATOM 0 HD3 LYS D 11 18.696 -7.739 -15.681 1.00 0.00 H new ATOM 0 HE2 LYS D 11 19.702 -10.056 -15.603 1.00 0.00 H new ATOM 0 HE3 LYS D 11 18.118 -10.731 -15.281 1.00 0.00 H new ATOM 0 HZ1 LYS D 11 18.588 -10.703 -17.677 1.00 0.00 H new ATOM 0 HZ2 LYS D 11 17.282 -9.676 -17.324 1.00 0.00 H new ATOM 0 HZ3 LYS D 11 18.818 -9.021 -17.637 1.00 0.00 H new ATOM 1030 N LEU D 12 14.979 -5.687 -13.281 1.00 0.00 N ATOM 1031 CA LEU D 12 13.592 -5.434 -13.749 1.00 0.00 C ATOM 1032 C LEU D 12 13.526 -4.187 -14.637 1.00 0.00 C ATOM 1033 O LEU D 12 12.509 -3.903 -15.240 1.00 0.00 O ATOM 1034 CB LEU D 12 12.782 -5.224 -12.472 1.00 0.00 C ATOM 1035 CG LEU D 12 12.518 -6.577 -11.816 1.00 0.00 C ATOM 1036 CD1 LEU D 12 11.657 -6.381 -10.569 1.00 0.00 C ATOM 1037 CD2 LEU D 12 11.784 -7.487 -12.804 1.00 0.00 C ATOM 0 H LEU D 12 15.131 -5.540 -12.283 1.00 0.00 H new ATOM 0 HA LEU D 12 13.212 -6.258 -14.353 1.00 0.00 H new ATOM 0 HB2 LEU D 12 13.325 -4.574 -11.786 1.00 0.00 H new ATOM 0 HB3 LEU D 12 11.839 -4.728 -12.703 1.00 0.00 H new ATOM 0 HG LEU D 12 13.466 -7.035 -11.534 1.00 0.00 H new ATOM 0 HD11 LEU D 12 11.469 -7.347 -10.101 1.00 0.00 H new ATOM 0 HD12 LEU D 12 12.178 -5.732 -9.865 1.00 0.00 H new ATOM 0 HD13 LEU D 12 10.709 -5.923 -10.850 1.00 0.00 H new ATOM 0 HD21 LEU D 12 11.595 -8.454 -12.337 1.00 0.00 H new ATOM 0 HD22 LEU D 12 10.836 -7.028 -13.086 1.00 0.00 H new ATOM 0 HD23 LEU D 12 12.398 -7.628 -13.694 1.00 0.00 H new ATOM 1049 N ILE D 13 14.589 -3.437 -14.725 1.00 0.00 N ATOM 1050 CA ILE D 13 14.554 -2.211 -15.578 1.00 0.00 C ATOM 1051 C ILE D 13 15.932 -1.886 -16.124 1.00 0.00 C ATOM 1052 O ILE D 13 16.408 -0.771 -16.032 1.00 0.00 O ATOM 1053 CB ILE D 13 14.062 -1.086 -14.669 1.00 0.00 C ATOM 1054 CG1 ILE D 13 14.709 -1.199 -13.287 1.00 0.00 C ATOM 1055 CG2 ILE D 13 12.542 -1.167 -14.524 1.00 0.00 C ATOM 1056 CD1 ILE D 13 15.611 0.013 -13.051 1.00 0.00 C ATOM 0 H ILE D 13 15.473 -3.615 -14.249 1.00 0.00 H new ATOM 0 HA ILE D 13 13.902 -2.350 -16.440 1.00 0.00 H new ATOM 0 HB ILE D 13 14.338 -0.130 -15.115 1.00 0.00 H new ATOM 0 HG12 ILE D 13 13.940 -1.250 -12.516 1.00 0.00 H new ATOM 0 HG13 ILE D 13 15.291 -2.118 -13.219 1.00 0.00 H new ATOM 0 HG21 ILE D 13 12.195 -0.363 -13.875 1.00 0.00 H new ATOM 0 HG22 ILE D 13 12.077 -1.068 -15.505 1.00 0.00 H new ATOM 0 HG23 ILE D 13 12.269 -2.128 -14.089 1.00 0.00 H new ATOM 0 HD11 ILE D 13 16.074 -0.064 -12.067 1.00 0.00 H new ATOM 0 HD12 ILE D 13 16.387 0.043 -13.816 1.00 0.00 H new ATOM 0 HD13 ILE D 13 15.016 0.925 -13.102 1.00 0.00 H new ATOM 1068 N GLU D 14 16.582 -2.858 -16.674 1.00 0.00 N ATOM 1069 CA GLU D 14 17.932 -2.644 -17.213 1.00 0.00 C ATOM 1070 C GLU D 14 18.067 -3.279 -18.600 1.00 0.00 C ATOM 1071 O GLU D 14 17.647 -2.654 -19.559 1.00 0.00 O ATOM 1072 CB GLU D 14 18.810 -3.346 -16.197 1.00 0.00 C ATOM 1073 CG GLU D 14 18.676 -2.630 -14.855 1.00 0.00 C ATOM 1074 CD GLU D 14 19.716 -1.512 -14.760 1.00 0.00 C ATOM 1075 OE1 GLU D 14 19.542 -0.509 -15.431 1.00 0.00 O ATOM 1076 OE2 GLU D 14 20.668 -1.677 -14.014 1.00 0.00 O ATOM 1077 OXT GLU D 14 18.589 -4.379 -18.679 1.00 0.00 O ATOM 0 H GLU D 14 16.225 -3.808 -16.773 1.00 0.00 H new ATOM 0 HA GLU D 14 18.190 -1.594 -17.348 1.00 0.00 H new ATOM 0 HB2 GLU D 14 18.514 -4.390 -16.099 1.00 0.00 H new ATOM 0 HB3 GLU D 14 19.849 -3.339 -16.527 1.00 0.00 H new ATOM 0 HG2 GLU D 14 17.673 -2.216 -14.751 1.00 0.00 H new ATOM 0 HG3 GLU D 14 18.814 -3.339 -14.039 1.00 0.00 H new