USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 665 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: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 137:sc= 0.614 (180deg=0.0354) USER MOD Set 2.1: A 33 CYS SG : rot 180:sc= -0.177 USER MOD Set 2.2: A 38 MET CE :methyl -143:sc= -0.399 (180deg=0) USER MOD Set 2.3: A 46 GLN : amide:sc= -0.464 K(o=-1,f=-2.7) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.068 USER MOD Single : A 23 CYS SG : rot 64:sc= -0.632 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 168:sc= 0.371 (180deg=0.308) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 76:sc= 0.351 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0.122 (180deg=0.122) USER MOD Single : A 60 ASN : amide:sc= -0.686 K(o=-0.69,f=-2.1) USER MOD Single : A 61 TYR OH : rot 164:sc= -2.43! USER MOD Single : A 64 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.15) USER MOD Single : A 66 HIS : no HD1:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 70 HIS : +bothHN:sc= 0.047 K(o=0.047,f=-1.4) USER MOD Single : A 83 CYS SG : rot -27:sc= 0.275 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -14.046 10.263 2.425 1.00 0.00 N ATOM 2 CA SER A 16 -13.884 9.824 3.806 1.00 0.00 C ATOM 3 C SER A 16 -12.539 9.130 4.001 1.00 0.00 C ATOM 4 O SER A 16 -12.281 8.078 3.418 1.00 0.00 O ATOM 5 CB SER A 16 -15.021 8.880 4.201 1.00 0.00 C ATOM 6 OG SER A 16 -14.882 8.445 5.542 1.00 0.00 O ATOM 0 HA SER A 16 -13.915 10.705 4.447 1.00 0.00 H new ATOM 0 HB2 SER A 16 -15.978 9.387 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.029 8.017 3.535 1.00 0.00 H new ATOM 0 HG SER A 16 -15.622 7.844 5.769 1.00 0.00 H new ATOM 12 N GLU A 17 -11.686 9.728 4.828 1.00 0.00 N ATOM 13 CA GLU A 17 -10.367 9.169 5.101 1.00 0.00 C ATOM 14 C GLU A 17 -9.544 9.064 3.820 1.00 0.00 C ATOM 15 O GLU A 17 -10.086 9.111 2.716 1.00 0.00 O ATOM 16 CB GLU A 17 -10.500 7.790 5.749 1.00 0.00 C ATOM 17 CG GLU A 17 -10.713 7.843 7.253 1.00 0.00 C ATOM 18 CD GLU A 17 -10.815 6.465 7.878 1.00 0.00 C ATOM 19 OE1 GLU A 17 -10.364 5.490 7.241 1.00 0.00 O ATOM 20 OE2 GLU A 17 -11.348 6.361 9.002 1.00 0.00 O ATOM 0 H GLU A 17 -11.885 10.599 5.320 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.851 9.839 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.336 7.261 5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.601 7.210 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.888 8.386 7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.623 8.403 7.468 1.00 0.00 H new ATOM 27 N PHE A 18 -8.232 8.919 3.978 1.00 0.00 N ATOM 28 CA PHE A 18 -7.332 8.807 2.836 1.00 0.00 C ATOM 29 C PHE A 18 -7.323 7.384 2.287 1.00 0.00 C ATOM 30 O PHE A 18 -7.755 6.448 2.960 1.00 0.00 O ATOM 31 CB PHE A 18 -5.914 9.219 3.235 1.00 0.00 C ATOM 32 CG PHE A 18 -5.213 10.038 2.191 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.526 9.423 1.155 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.241 11.421 2.243 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.883 10.174 0.192 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.599 12.177 1.282 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.919 11.553 0.256 1.00 0.00 C ATOM 0 H PHE A 18 -7.769 8.876 4.886 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.692 9.477 2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.957 9.788 4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.327 8.323 3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.494 8.345 1.101 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.771 11.914 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.352 9.684 -0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.629 13.255 1.333 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.416 12.142 -0.496 1.00 0.00 H new ATOM 47 N LYS A 19 -6.828 7.226 1.064 1.00 0.00 N ATOM 48 CA LYS A 19 -6.764 5.912 0.434 1.00 0.00 C ATOM 49 C LYS A 19 -5.799 5.911 -0.748 1.00 0.00 C ATOM 50 O LYS A 19 -5.976 6.656 -1.712 1.00 0.00 O ATOM 51 CB LYS A 19 -8.157 5.483 -0.031 1.00 0.00 C ATOM 52 CG LYS A 19 -8.932 4.694 1.013 1.00 0.00 C ATOM 53 CD LYS A 19 -9.691 3.533 0.390 1.00 0.00 C ATOM 54 CE LYS A 19 -11.176 3.598 0.716 1.00 0.00 C ATOM 55 NZ LYS A 19 -11.542 2.675 1.825 1.00 0.00 N ATOM 0 H LYS A 19 -6.466 7.988 0.491 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.395 5.202 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.729 6.370 -0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.060 4.878 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.243 4.315 1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.633 5.355 1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.554 3.546 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.279 2.591 0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.443 4.619 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.754 3.345 -0.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.562 2.749 2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.311 1.698 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.010 2.932 2.681 1.00 0.00 H new ATOM 69 N VAL A 20 -4.780 5.061 -0.668 1.00 0.00 N ATOM 70 CA VAL A 20 -3.790 4.950 -1.731 1.00 0.00 C ATOM 71 C VAL A 20 -3.500 3.489 -2.051 1.00 0.00 C ATOM 72 O VAL A 20 -3.467 2.644 -1.158 1.00 0.00 O ATOM 73 CB VAL A 20 -2.473 5.655 -1.355 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.620 7.163 -1.475 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.040 5.262 0.050 1.00 0.00 C ATOM 0 H VAL A 20 -4.619 4.438 0.124 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.211 5.439 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.699 5.334 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.679 7.643 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.879 7.423 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.408 7.506 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.108 5.769 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.812 5.551 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.889 4.183 0.096 1.00 0.00 H new ATOM 85 N THR A 21 -3.298 3.193 -3.330 1.00 0.00 N ATOM 86 CA THR A 21 -3.018 1.827 -3.761 1.00 0.00 C ATOM 87 C THR A 21 -1.607 1.710 -4.321 1.00 0.00 C ATOM 88 O THR A 21 -1.323 2.189 -5.418 1.00 0.00 O ATOM 89 CB THR A 21 -4.034 1.387 -4.816 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.359 1.603 -4.359 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.912 -0.073 -5.193 1.00 0.00 C ATOM 0 H THR A 21 -3.323 3.878 -4.085 1.00 0.00 H new ATOM 0 HA THR A 21 -3.098 1.175 -2.891 1.00 0.00 H new ATOM 0 HB THR A 21 -3.816 1.992 -5.696 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.994 1.317 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.662 -0.318 -5.945 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.917 -0.263 -5.597 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.069 -0.691 -4.309 1.00 0.00 H new ATOM 99 N VAL A 22 -0.723 1.067 -3.565 1.00 0.00 N ATOM 100 CA VAL A 22 0.655 0.888 -3.990 1.00 0.00 C ATOM 101 C VAL A 22 0.861 -0.490 -4.607 1.00 0.00 C ATOM 102 O VAL A 22 0.359 -1.491 -4.097 1.00 0.00 O ATOM 103 CB VAL A 22 1.628 1.067 -2.814 1.00 0.00 C ATOM 104 CG1 VAL A 22 1.641 2.512 -2.342 1.00 0.00 C ATOM 105 CG2 VAL A 22 1.280 0.127 -1.669 1.00 0.00 C ATOM 0 H VAL A 22 -0.940 0.662 -2.654 1.00 0.00 H new ATOM 0 HA VAL A 22 0.862 1.652 -4.740 1.00 0.00 H new ATOM 0 HB VAL A 22 2.629 0.813 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.336 2.616 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.956 3.159 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.640 2.798 -2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.984 0.275 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.269 0.337 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.337 -0.905 -2.015 1.00 0.00 H new ATOM 115 N CYS A 23 1.600 -0.535 -5.711 1.00 0.00 N ATOM 116 CA CYS A 23 1.864 -1.792 -6.401 1.00 0.00 C ATOM 117 C CYS A 23 3.279 -2.289 -6.122 1.00 0.00 C ATOM 118 O CYS A 23 4.249 -1.793 -6.697 1.00 0.00 O ATOM 119 CB CYS A 23 1.662 -1.624 -7.908 1.00 0.00 C ATOM 120 SG CYS A 23 0.141 -0.753 -8.356 1.00 0.00 S ATOM 0 H CYS A 23 2.026 0.283 -6.146 1.00 0.00 H new ATOM 0 HA CYS A 23 1.159 -2.533 -6.024 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.513 -1.082 -8.320 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.655 -2.609 -8.375 1.00 0.00 H new ATOM 0 HG CYS A 23 0.191 0.466 -7.908 1.00 0.00 H new ATOM 126 N PHE A 24 3.389 -3.277 -5.240 1.00 0.00 N ATOM 127 CA PHE A 24 4.682 -3.851 -4.890 1.00 0.00 C ATOM 128 C PHE A 24 5.162 -4.791 -5.989 1.00 0.00 C ATOM 129 O PHE A 24 4.785 -5.963 -6.022 1.00 0.00 O ATOM 130 CB PHE A 24 4.587 -4.609 -3.566 1.00 0.00 C ATOM 131 CG PHE A 24 4.614 -3.718 -2.358 1.00 0.00 C ATOM 132 CD1 PHE A 24 5.783 -3.077 -1.979 1.00 0.00 C ATOM 133 CD2 PHE A 24 3.471 -3.521 -1.600 1.00 0.00 C ATOM 134 CE1 PHE A 24 5.811 -2.259 -0.868 1.00 0.00 C ATOM 135 CE2 PHE A 24 3.493 -2.703 -0.488 1.00 0.00 C ATOM 136 CZ PHE A 24 4.665 -2.071 -0.121 1.00 0.00 C ATOM 0 H PHE A 24 2.597 -3.697 -4.754 1.00 0.00 H new ATOM 0 HA PHE A 24 5.400 -3.038 -4.782 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.666 -5.192 -3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.413 -5.317 -3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.682 -3.219 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.552 -4.013 -1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.729 -1.766 -0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.595 -2.557 0.094 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.685 -1.431 0.749 1.00 0.00 H new ATOM 146 N GLY A 25 5.990 -4.271 -6.892 1.00 0.00 N ATOM 147 CA GLY A 25 6.498 -5.080 -7.985 1.00 0.00 C ATOM 148 C GLY A 25 5.396 -5.525 -8.927 1.00 0.00 C ATOM 149 O GLY A 25 5.269 -5.005 -10.034 1.00 0.00 O ATOM 0 H GLY A 25 6.317 -3.305 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.242 -4.510 -8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.005 -5.956 -7.581 1.00 0.00 H new ATOM 153 N ARG A 26 4.593 -6.483 -8.477 1.00 0.00 N ATOM 154 CA ARG A 26 3.487 -6.996 -9.276 1.00 0.00 C ATOM 155 C ARG A 26 2.290 -7.321 -8.388 1.00 0.00 C ATOM 156 O ARG A 26 1.495 -8.209 -8.696 1.00 0.00 O ATOM 157 CB ARG A 26 3.921 -8.242 -10.050 1.00 0.00 C ATOM 158 CG ARG A 26 4.430 -7.941 -11.451 1.00 0.00 C ATOM 159 CD ARG A 26 3.471 -8.446 -12.518 1.00 0.00 C ATOM 160 NE ARG A 26 3.976 -8.209 -13.867 1.00 0.00 N ATOM 161 CZ ARG A 26 4.965 -8.906 -14.422 1.00 0.00 C ATOM 162 NH1 ARG A 26 5.559 -9.882 -13.746 1.00 0.00 N ATOM 163 NH2 ARG A 26 5.362 -8.626 -15.655 1.00 0.00 N ATOM 0 H ARG A 26 4.688 -6.921 -7.561 1.00 0.00 H new ATOM 0 HA ARG A 26 3.193 -6.225 -9.988 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.704 -8.753 -9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.078 -8.929 -10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.568 -6.866 -11.565 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.407 -8.404 -11.591 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.302 -9.514 -12.377 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.506 -7.952 -12.401 1.00 0.00 H new ATOM 0 HE ARG A 26 3.546 -7.465 -14.417 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.258 -10.101 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.316 -10.413 -14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.910 -7.876 -16.179 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.120 -9.160 -16.080 1.00 0.00 H new ATOM 177 N THR A 27 2.173 -6.594 -7.280 1.00 0.00 N ATOM 178 CA THR A 27 1.076 -6.799 -6.339 1.00 0.00 C ATOM 179 C THR A 27 0.499 -5.463 -5.882 1.00 0.00 C ATOM 180 O THR A 27 1.176 -4.677 -5.219 1.00 0.00 O ATOM 181 CB THR A 27 1.560 -7.602 -5.129 1.00 0.00 C ATOM 182 OG1 THR A 27 2.095 -8.849 -5.538 1.00 0.00 O ATOM 183 CG2 THR A 27 0.468 -7.880 -4.117 1.00 0.00 C ATOM 0 H THR A 27 2.825 -5.857 -7.012 1.00 0.00 H new ATOM 0 HA THR A 27 0.291 -7.359 -6.846 1.00 0.00 H new ATOM 0 HB THR A 27 2.320 -6.981 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.401 -9.348 -4.752 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.879 -8.452 -3.286 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.068 -6.937 -3.745 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.330 -8.451 -4.591 1.00 0.00 H new ATOM 191 N ARG A 28 -0.756 -5.211 -6.241 1.00 0.00 N ATOM 192 CA ARG A 28 -1.423 -3.969 -5.866 1.00 0.00 C ATOM 193 C ARG A 28 -2.079 -4.090 -4.496 1.00 0.00 C ATOM 194 O ARG A 28 -2.853 -5.016 -4.247 1.00 0.00 O ATOM 195 CB ARG A 28 -2.475 -3.593 -6.913 1.00 0.00 C ATOM 196 CG ARG A 28 -2.008 -3.786 -8.347 1.00 0.00 C ATOM 197 CD ARG A 28 -3.181 -3.833 -9.316 1.00 0.00 C ATOM 198 NE ARG A 28 -3.129 -2.746 -10.290 1.00 0.00 N ATOM 199 CZ ARG A 28 -4.044 -2.557 -11.237 1.00 0.00 C ATOM 200 NH1 ARG A 28 -5.083 -3.377 -11.341 1.00 0.00 N ATOM 201 NH2 ARG A 28 -3.922 -1.543 -12.085 1.00 0.00 N ATOM 0 H ARG A 28 -1.331 -5.850 -6.791 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.667 -3.185 -5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.370 -4.193 -6.748 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.760 -2.551 -6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.338 -2.972 -8.625 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.435 -4.710 -8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.181 -4.789 -9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.115 -3.775 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.346 -2.094 -10.241 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.183 -4.158 -10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.781 -3.226 -12.069 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.127 -0.909 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.624 -1.398 -12.811 1.00 0.00 H new ATOM 215 N VAL A 29 -1.769 -3.149 -3.609 1.00 0.00 N ATOM 216 CA VAL A 29 -2.333 -3.154 -2.265 1.00 0.00 C ATOM 217 C VAL A 29 -2.845 -1.768 -1.878 1.00 0.00 C ATOM 218 O VAL A 29 -2.221 -0.753 -2.192 1.00 0.00 O ATOM 219 CB VAL A 29 -1.302 -3.618 -1.220 1.00 0.00 C ATOM 220 CG1 VAL A 29 -0.948 -5.082 -1.433 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.056 -2.749 -1.276 1.00 0.00 C ATOM 0 H VAL A 29 -1.132 -2.375 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.166 -3.857 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.745 -3.515 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.218 -5.392 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.847 -5.691 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.525 -5.213 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.661 -3.092 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.391 -2.818 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.325 -1.713 -1.070 1.00 0.00 H new ATOM 231 N ASP A 30 -3.987 -1.739 -1.201 1.00 0.00 N ATOM 232 CA ASP A 30 -4.594 -0.485 -0.769 1.00 0.00 C ATOM 233 C ASP A 30 -4.123 -0.101 0.629 1.00 0.00 C ATOM 234 O ASP A 30 -3.824 -0.966 1.454 1.00 0.00 O ATOM 235 CB ASP A 30 -6.118 -0.599 -0.791 1.00 0.00 C ATOM 236 CG ASP A 30 -6.692 -0.425 -2.184 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.701 -1.411 -2.950 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.134 0.698 -2.508 1.00 0.00 O ATOM 0 H ASP A 30 -4.513 -2.573 -0.938 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.283 0.296 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.412 -1.573 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.545 0.154 -0.129 1.00 0.00 H new ATOM 243 N VAL A 31 -4.060 1.201 0.888 1.00 0.00 N ATOM 244 CA VAL A 31 -3.626 1.703 2.186 1.00 0.00 C ATOM 245 C VAL A 31 -4.503 2.865 2.646 1.00 0.00 C ATOM 246 O VAL A 31 -4.279 4.013 2.261 1.00 0.00 O ATOM 247 CB VAL A 31 -2.159 2.171 2.144 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.664 2.505 3.542 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.279 1.113 1.496 1.00 0.00 C ATOM 0 H VAL A 31 -4.304 1.928 0.215 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.718 0.878 2.892 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.103 3.076 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.626 2.834 3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.277 3.302 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.734 1.620 4.174 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.246 1.461 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.339 0.189 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.621 0.930 0.477 1.00 0.00 H new ATOM 259 N PRO A 32 -5.522 2.582 3.478 1.00 0.00 N ATOM 260 CA PRO A 32 -6.433 3.609 3.988 1.00 0.00 C ATOM 261 C PRO A 32 -5.838 4.379 5.162 1.00 0.00 C ATOM 262 O PRO A 32 -5.384 3.786 6.140 1.00 0.00 O ATOM 263 CB PRO A 32 -7.642 2.793 4.439 1.00 0.00 C ATOM 264 CG PRO A 32 -7.071 1.484 4.864 1.00 0.00 C ATOM 265 CD PRO A 32 -5.869 1.239 3.985 1.00 0.00 C ATOM 0 HA PRO A 32 -6.662 4.370 3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.167 3.282 5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.361 2.668 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.785 1.508 5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.804 0.685 4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.046 0.799 4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.102 0.552 3.171 1.00 0.00 H new ATOM 273 N CYS A 33 -5.845 5.704 5.059 1.00 0.00 N ATOM 274 CA CYS A 33 -5.306 6.555 6.112 1.00 0.00 C ATOM 275 C CYS A 33 -6.422 7.314 6.825 1.00 0.00 C ATOM 276 O CYS A 33 -7.488 7.546 6.258 1.00 0.00 O ATOM 277 CB CYS A 33 -4.291 7.541 5.534 1.00 0.00 C ATOM 278 SG CYS A 33 -2.880 7.869 6.615 1.00 0.00 S ATOM 0 H CYS A 33 -6.218 6.211 4.257 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.805 5.915 6.838 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.924 7.153 4.584 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.797 8.482 5.320 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.077 8.713 6.037 1.00 0.00 H new ATOM 284 N GLY A 34 -6.167 7.697 8.072 1.00 0.00 N ATOM 285 CA GLY A 34 -7.159 8.426 8.841 1.00 0.00 C ATOM 286 C GLY A 34 -7.405 9.821 8.300 1.00 0.00 C ATOM 287 O GLY A 34 -8.474 10.104 7.758 1.00 0.00 O ATOM 0 H GLY A 34 -5.292 7.516 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.096 7.869 8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.831 8.495 9.878 1.00 0.00 H new ATOM 291 N ASP A 35 -6.415 10.695 8.447 1.00 0.00 N ATOM 292 CA ASP A 35 -6.530 12.067 7.969 1.00 0.00 C ATOM 293 C ASP A 35 -5.637 12.305 6.753 1.00 0.00 C ATOM 294 O ASP A 35 -5.822 13.272 6.015 1.00 0.00 O ATOM 295 CB ASP A 35 -6.160 13.048 9.083 1.00 0.00 C ATOM 296 CG ASP A 35 -7.326 13.339 10.008 1.00 0.00 C ATOM 297 OD1 ASP A 35 -8.095 14.279 9.718 1.00 0.00 O ATOM 298 OD2 ASP A 35 -7.468 12.626 11.025 1.00 0.00 O ATOM 0 H ASP A 35 -5.524 10.477 8.893 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.566 12.232 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.333 12.639 9.663 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.809 13.980 8.641 1.00 0.00 H new ATOM 303 N GLY A 36 -4.665 11.420 6.552 1.00 0.00 N ATOM 304 CA GLY A 36 -3.758 11.557 5.429 1.00 0.00 C ATOM 305 C GLY A 36 -2.522 12.364 5.778 1.00 0.00 C ATOM 306 O GLY A 36 -1.792 12.808 4.893 1.00 0.00 O ATOM 0 H GLY A 36 -4.490 10.611 7.148 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.457 10.567 5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.280 12.037 4.601 1.00 0.00 H new ATOM 310 N ARG A 37 -2.287 12.556 7.074 1.00 0.00 N ATOM 311 CA ARG A 37 -1.132 13.313 7.537 1.00 0.00 C ATOM 312 C ARG A 37 -0.017 12.378 7.988 1.00 0.00 C ATOM 313 O ARG A 37 0.782 12.721 8.861 1.00 0.00 O ATOM 314 CB ARG A 37 -1.534 14.244 8.683 1.00 0.00 C ATOM 315 CG ARG A 37 -1.909 13.509 9.961 1.00 0.00 C ATOM 316 CD ARG A 37 -2.278 14.478 11.073 1.00 0.00 C ATOM 317 NE ARG A 37 -1.140 15.291 11.492 1.00 0.00 N ATOM 318 CZ ARG A 37 -0.130 14.832 12.227 1.00 0.00 C ATOM 319 NH1 ARG A 37 -0.115 13.566 12.628 1.00 0.00 N ATOM 320 NH2 ARG A 37 0.865 15.640 12.564 1.00 0.00 N ATOM 0 H ARG A 37 -2.882 12.197 7.820 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.762 13.913 6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.709 14.924 8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.378 14.856 8.364 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.748 12.842 9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.074 12.886 10.282 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.083 15.130 10.733 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.659 13.920 11.928 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.118 16.269 11.204 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.880 12.941 12.373 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.661 13.219 13.191 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.857 16.614 12.260 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.639 15.288 13.127 1.00 0.00 H new ATOM 334 N MET A 38 0.034 11.196 7.386 1.00 0.00 N ATOM 335 CA MET A 38 1.051 10.209 7.721 1.00 0.00 C ATOM 336 C MET A 38 2.198 10.254 6.722 1.00 0.00 C ATOM 337 O MET A 38 1.982 10.228 5.511 1.00 0.00 O ATOM 338 CB MET A 38 0.445 8.804 7.746 1.00 0.00 C ATOM 339 CG MET A 38 1.151 7.852 8.697 1.00 0.00 C ATOM 340 SD MET A 38 0.005 6.797 9.605 1.00 0.00 S ATOM 341 CE MET A 38 -0.656 5.792 8.277 1.00 0.00 C ATOM 0 H MET A 38 -0.619 10.898 6.662 1.00 0.00 H new ATOM 0 HA MET A 38 1.439 10.449 8.711 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.605 8.876 8.030 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.475 8.387 6.739 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.843 7.228 8.132 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.747 8.428 9.405 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.714 5.601 8.457 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.538 6.318 7.329 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.119 4.845 8.236 1.00 0.00 H new ATOM 351 N LYS A 39 3.422 10.319 7.236 1.00 0.00 N ATOM 352 CA LYS A 39 4.603 10.364 6.384 1.00 0.00 C ATOM 353 C LYS A 39 4.649 9.148 5.467 1.00 0.00 C ATOM 354 O LYS A 39 4.280 8.041 5.865 1.00 0.00 O ATOM 355 CB LYS A 39 5.872 10.424 7.236 1.00 0.00 C ATOM 356 CG LYS A 39 6.128 11.790 7.851 1.00 0.00 C ATOM 357 CD LYS A 39 7.615 12.074 7.977 1.00 0.00 C ATOM 358 CE LYS A 39 7.873 13.473 8.512 1.00 0.00 C ATOM 359 NZ LYS A 39 9.076 14.093 7.893 1.00 0.00 N ATOM 0 H LYS A 39 3.621 10.342 8.236 1.00 0.00 H new ATOM 0 HA LYS A 39 4.547 11.263 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.800 9.684 8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.727 10.146 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.660 12.560 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.662 11.840 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.071 11.340 8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.091 11.963 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.003 14.101 8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.003 13.429 9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.103 15.106 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.932 13.631 8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.035 13.976 6.860 1.00 0.00 H new ATOM 373 N VAL A 40 5.108 9.355 4.235 1.00 0.00 N ATOM 374 CA VAL A 40 5.201 8.268 3.268 1.00 0.00 C ATOM 375 C VAL A 40 5.882 7.052 3.887 1.00 0.00 C ATOM 376 O VAL A 40 5.411 5.930 3.738 1.00 0.00 O ATOM 377 CB VAL A 40 5.974 8.696 2.003 1.00 0.00 C ATOM 378 CG1 VAL A 40 6.087 7.537 1.019 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.306 9.896 1.348 1.00 0.00 C ATOM 0 H VAL A 40 5.420 10.261 3.885 1.00 0.00 H new ATOM 0 HA VAL A 40 4.182 8.008 2.981 1.00 0.00 H new ATOM 0 HB VAL A 40 6.982 8.986 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.636 7.862 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.617 6.709 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.089 7.209 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.866 10.183 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.285 9.636 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.288 10.730 2.050 1.00 0.00 H new ATOM 389 N PHE A 41 6.985 7.289 4.592 1.00 0.00 N ATOM 390 CA PHE A 41 7.726 6.210 5.238 1.00 0.00 C ATOM 391 C PHE A 41 6.799 5.325 6.064 1.00 0.00 C ATOM 392 O PHE A 41 6.991 4.110 6.142 1.00 0.00 O ATOM 393 CB PHE A 41 8.828 6.785 6.132 1.00 0.00 C ATOM 394 CG PHE A 41 9.678 5.733 6.788 1.00 0.00 C ATOM 395 CD1 PHE A 41 10.135 4.642 6.065 1.00 0.00 C ATOM 396 CD2 PHE A 41 10.019 5.835 8.126 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.915 3.673 6.665 1.00 0.00 C ATOM 398 CE2 PHE A 41 10.800 4.870 8.732 1.00 0.00 C ATOM 399 CZ PHE A 41 11.250 3.788 8.000 1.00 0.00 C ATOM 0 H PHE A 41 7.385 8.217 4.730 1.00 0.00 H new ATOM 0 HA PHE A 41 8.179 5.599 4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.466 7.436 5.535 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.372 7.406 6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.878 4.549 5.020 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.670 6.679 8.703 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.262 2.827 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 41 11.059 4.961 9.777 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.863 3.033 8.471 1.00 0.00 H new ATOM 409 N SER A 42 5.790 5.936 6.671 1.00 0.00 N ATOM 410 CA SER A 42 4.830 5.197 7.479 1.00 0.00 C ATOM 411 C SER A 42 3.878 4.410 6.588 1.00 0.00 C ATOM 412 O SER A 42 3.493 3.285 6.911 1.00 0.00 O ATOM 413 CB SER A 42 4.042 6.151 8.378 1.00 0.00 C ATOM 414 OG SER A 42 4.713 6.365 9.609 1.00 0.00 O ATOM 0 H SER A 42 5.616 6.940 6.619 1.00 0.00 H new ATOM 0 HA SER A 42 5.379 4.496 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.901 7.103 7.867 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.050 5.741 8.568 1.00 0.00 H new ATOM 0 HG SER A 42 4.189 6.980 10.164 1.00 0.00 H new ATOM 420 N LEU A 43 3.505 5.008 5.461 1.00 0.00 N ATOM 421 CA LEU A 43 2.600 4.358 4.521 1.00 0.00 C ATOM 422 C LEU A 43 3.292 3.191 3.827 1.00 0.00 C ATOM 423 O LEU A 43 2.687 2.143 3.601 1.00 0.00 O ATOM 424 CB LEU A 43 2.098 5.361 3.482 1.00 0.00 C ATOM 425 CG LEU A 43 0.859 4.914 2.697 1.00 0.00 C ATOM 426 CD1 LEU A 43 -0.335 5.792 3.035 1.00 0.00 C ATOM 427 CD2 LEU A 43 1.136 4.939 1.200 1.00 0.00 C ATOM 0 H LEU A 43 3.814 5.938 5.178 1.00 0.00 H new ATOM 0 HA LEU A 43 1.747 3.974 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.871 6.301 3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.903 5.564 2.776 1.00 0.00 H new ATOM 0 HG LEU A 43 0.622 3.890 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.204 5.459 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.549 5.721 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.110 6.827 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.245 4.619 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.400 5.952 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.961 4.264 0.971 1.00 0.00 H new ATOM 439 N ILE A 44 4.565 3.377 3.495 1.00 0.00 N ATOM 440 CA ILE A 44 5.336 2.340 2.832 1.00 0.00 C ATOM 441 C ILE A 44 5.492 1.125 3.737 1.00 0.00 C ATOM 442 O ILE A 44 5.238 -0.005 3.322 1.00 0.00 O ATOM 443 CB ILE A 44 6.728 2.849 2.419 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.589 4.141 1.608 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.464 1.779 1.627 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.800 4.477 0.762 1.00 0.00 C ATOM 0 H ILE A 44 5.082 4.238 3.676 1.00 0.00 H new ATOM 0 HA ILE A 44 4.789 2.056 1.933 1.00 0.00 H new ATOM 0 HB ILE A 44 7.313 3.067 3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.718 4.057 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.397 4.967 2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.448 2.151 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.578 0.886 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.894 1.533 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.619 5.405 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.672 4.596 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.982 3.671 0.051 1.00 0.00 H new ATOM 458 N GLN A 45 5.905 1.363 4.979 1.00 0.00 N ATOM 459 CA GLN A 45 6.085 0.283 5.941 1.00 0.00 C ATOM 460 C GLN A 45 4.779 -0.475 6.148 1.00 0.00 C ATOM 461 O GLN A 45 4.774 -1.699 6.270 1.00 0.00 O ATOM 462 CB GLN A 45 6.586 0.836 7.278 1.00 0.00 C ATOM 463 CG GLN A 45 7.477 -0.132 8.042 1.00 0.00 C ATOM 464 CD GLN A 45 6.878 -0.553 9.370 1.00 0.00 C ATOM 465 OE1 GLN A 45 6.699 0.266 10.271 1.00 0.00 O ATOM 466 NE2 GLN A 45 6.565 -1.838 9.498 1.00 0.00 N ATOM 0 H GLN A 45 6.120 2.292 5.341 1.00 0.00 H new ATOM 0 HA GLN A 45 6.830 -0.407 5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.138 1.758 7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.728 1.095 7.899 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.654 -1.017 7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.447 0.334 8.217 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.730 -2.483 8.725 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.159 -2.180 10.369 1.00 0.00 H new ATOM 475 N GLN A 46 3.673 0.261 6.178 1.00 0.00 N ATOM 476 CA GLN A 46 2.361 -0.348 6.361 1.00 0.00 C ATOM 477 C GLN A 46 1.996 -1.205 5.152 1.00 0.00 C ATOM 478 O GLN A 46 1.485 -2.316 5.295 1.00 0.00 O ATOM 479 CB GLN A 46 1.299 0.730 6.580 1.00 0.00 C ATOM 480 CG GLN A 46 1.240 1.241 8.011 1.00 0.00 C ATOM 481 CD GLN A 46 -0.180 1.481 8.487 1.00 0.00 C ATOM 482 OE1 GLN A 46 -0.506 2.554 8.993 1.00 0.00 O ATOM 483 NE2 GLN A 46 -1.035 0.477 8.326 1.00 0.00 N ATOM 0 H GLN A 46 3.659 1.276 6.078 1.00 0.00 H new ATOM 0 HA GLN A 46 2.400 -0.987 7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.499 1.567 5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.323 0.329 6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.723 0.520 8.670 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.806 2.170 8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.722 -0.396 7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.004 0.579 8.627 1.00 0.00 H new ATOM 492 N ALA A 47 2.270 -0.680 3.960 1.00 0.00 N ATOM 493 CA ALA A 47 1.975 -1.394 2.725 1.00 0.00 C ATOM 494 C ALA A 47 2.874 -2.618 2.576 1.00 0.00 C ATOM 495 O ALA A 47 2.424 -3.682 2.153 1.00 0.00 O ATOM 496 CB ALA A 47 2.133 -0.469 1.528 1.00 0.00 C ATOM 0 H ALA A 47 2.696 0.237 3.826 1.00 0.00 H new ATOM 0 HA ALA A 47 0.941 -1.736 2.768 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.909 -1.017 0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.446 0.372 1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.157 -0.098 1.488 1.00 0.00 H new ATOM 502 N VAL A 48 4.146 -2.463 2.937 1.00 0.00 N ATOM 503 CA VAL A 48 5.103 -3.561 2.853 1.00 0.00 C ATOM 504 C VAL A 48 4.612 -4.759 3.658 1.00 0.00 C ATOM 505 O VAL A 48 4.537 -5.879 3.151 1.00 0.00 O ATOM 506 CB VAL A 48 6.496 -3.135 3.369 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.482 -4.295 3.288 1.00 0.00 C ATOM 508 CG2 VAL A 48 7.012 -1.934 2.588 1.00 0.00 C ATOM 0 H VAL A 48 4.536 -1.589 3.290 1.00 0.00 H new ATOM 0 HA VAL A 48 5.191 -3.838 1.802 1.00 0.00 H new ATOM 0 HB VAL A 48 6.398 -2.847 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.455 -3.971 3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.120 -5.123 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.576 -4.621 2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.994 -1.649 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.091 -2.193 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.321 -1.099 2.706 1.00 0.00 H new ATOM 518 N THR A 49 4.269 -4.508 4.916 1.00 0.00 N ATOM 519 CA THR A 49 3.770 -5.559 5.796 1.00 0.00 C ATOM 520 C THR A 49 2.535 -6.219 5.190 1.00 0.00 C ATOM 521 O THR A 49 2.402 -7.444 5.198 1.00 0.00 O ATOM 522 CB THR A 49 3.436 -4.987 7.174 1.00 0.00 C ATOM 523 OG1 THR A 49 4.570 -4.359 7.746 1.00 0.00 O ATOM 524 CG2 THR A 49 2.947 -6.032 8.154 1.00 0.00 C ATOM 0 H THR A 49 4.327 -3.587 5.350 1.00 0.00 H new ATOM 0 HA THR A 49 4.550 -6.312 5.909 1.00 0.00 H new ATOM 0 HB THR A 49 2.633 -4.270 7.001 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.719 -3.494 7.310 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.728 -5.559 9.111 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.043 -6.500 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.718 -6.790 8.292 1.00 0.00 H new ATOM 532 N ARG A 50 1.635 -5.395 4.658 1.00 0.00 N ATOM 533 CA ARG A 50 0.413 -5.894 4.040 1.00 0.00 C ATOM 534 C ARG A 50 0.742 -6.833 2.883 1.00 0.00 C ATOM 535 O ARG A 50 0.078 -7.851 2.687 1.00 0.00 O ATOM 536 CB ARG A 50 -0.447 -4.728 3.544 1.00 0.00 C ATOM 537 CG ARG A 50 -1.719 -4.526 4.351 1.00 0.00 C ATOM 538 CD ARG A 50 -2.927 -4.321 3.450 1.00 0.00 C ATOM 539 NE ARG A 50 -4.129 -3.989 4.211 1.00 0.00 N ATOM 540 CZ ARG A 50 -4.332 -2.815 4.805 1.00 0.00 C ATOM 541 NH1 ARG A 50 -3.413 -1.860 4.730 1.00 0.00 N ATOM 542 NH2 ARG A 50 -5.454 -2.596 5.475 1.00 0.00 N ATOM 0 H ARG A 50 1.731 -4.380 4.643 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.148 -6.451 4.790 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.143 -3.812 3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.712 -4.900 2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.885 -5.392 4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.602 -3.662 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.717 -3.523 2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.104 -5.227 2.870 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.856 -4.699 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.548 -2.024 4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.572 -0.962 5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.163 -3.327 5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.609 -1.696 5.930 1.00 0.00 H new ATOM 556 N TYR A 51 1.779 -6.487 2.123 1.00 0.00 N ATOM 557 CA TYR A 51 2.203 -7.302 0.991 1.00 0.00 C ATOM 558 C TYR A 51 2.558 -8.712 1.452 1.00 0.00 C ATOM 559 O TYR A 51 1.996 -9.693 0.968 1.00 0.00 O ATOM 560 CB TYR A 51 3.404 -6.651 0.290 1.00 0.00 C ATOM 561 CG TYR A 51 4.103 -7.557 -0.700 1.00 0.00 C ATOM 562 CD1 TYR A 51 5.017 -8.511 -0.271 1.00 0.00 C ATOM 563 CD2 TYR A 51 3.852 -7.455 -2.062 1.00 0.00 C ATOM 564 CE1 TYR A 51 5.661 -9.337 -1.172 1.00 0.00 C ATOM 565 CE2 TYR A 51 4.490 -8.279 -2.969 1.00 0.00 C ATOM 566 CZ TYR A 51 5.393 -9.217 -2.519 1.00 0.00 C ATOM 567 OH TYR A 51 6.031 -10.040 -3.418 1.00 0.00 O ATOM 0 H TYR A 51 2.340 -5.648 2.272 1.00 0.00 H new ATOM 0 HA TYR A 51 1.378 -7.369 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.066 -5.754 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.123 -6.331 1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.228 -8.609 0.784 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.146 -6.719 -2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.370 -10.073 -0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.282 -8.188 -4.025 1.00 0.00 H new ATOM 0 HH TYR A 51 5.730 -9.828 -4.326 1.00 0.00 H new ATOM 577 N ARG A 52 3.490 -8.803 2.398 1.00 0.00 N ATOM 578 CA ARG A 52 3.919 -10.092 2.933 1.00 0.00 C ATOM 579 C ARG A 52 2.719 -10.952 3.318 1.00 0.00 C ATOM 580 O ARG A 52 2.645 -12.129 2.966 1.00 0.00 O ATOM 581 CB ARG A 52 4.814 -9.885 4.156 1.00 0.00 C ATOM 582 CG ARG A 52 6.290 -9.740 3.821 1.00 0.00 C ATOM 583 CD ARG A 52 7.172 -10.184 4.978 1.00 0.00 C ATOM 584 NE ARG A 52 6.648 -9.746 6.270 1.00 0.00 N ATOM 585 CZ ARG A 52 6.768 -8.505 6.739 1.00 0.00 C ATOM 586 NH1 ARG A 52 7.394 -7.577 6.025 1.00 0.00 N ATOM 587 NH2 ARG A 52 6.262 -8.192 7.923 1.00 0.00 N ATOM 0 H ARG A 52 3.963 -7.998 2.810 1.00 0.00 H new ATOM 0 HA ARG A 52 4.481 -10.608 2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.483 -8.994 4.690 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.686 -10.729 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.523 -10.333 2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.508 -8.701 3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.257 -11.271 4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.177 -9.785 4.841 1.00 0.00 H new ATOM 0 HE ARG A 52 6.161 -10.432 6.847 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.785 -7.813 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.483 -6.628 6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.780 -8.901 8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.354 -7.242 8.282 1.00 0.00 H new ATOM 601 N LYS A 53 1.778 -10.354 4.044 1.00 0.00 N ATOM 602 CA LYS A 53 0.581 -11.066 4.478 1.00 0.00 C ATOM 603 C LYS A 53 -0.359 -11.325 3.304 1.00 0.00 C ATOM 604 O LYS A 53 -1.062 -12.334 3.273 1.00 0.00 O ATOM 605 CB LYS A 53 -0.144 -10.269 5.565 1.00 0.00 C ATOM 606 CG LYS A 53 0.223 -10.697 6.977 1.00 0.00 C ATOM 607 CD LYS A 53 1.694 -10.450 7.271 1.00 0.00 C ATOM 608 CE LYS A 53 2.305 -11.590 8.071 1.00 0.00 C ATOM 609 NZ LYS A 53 3.402 -12.266 7.326 1.00 0.00 N ATOM 0 H LYS A 53 1.822 -9.380 4.343 1.00 0.00 H new ATOM 0 HA LYS A 53 0.890 -12.028 4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.086 -9.211 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.220 -10.379 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.389 -10.150 7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.002 -11.756 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.238 -10.330 6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.803 -9.517 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.691 -11.205 9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.531 -12.317 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.792 -13.037 7.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.029 -12.656 6.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.153 -11.578 7.114 1.00 0.00 H new ATOM 623 N ALA A 54 -0.366 -10.409 2.341 1.00 0.00 N ATOM 624 CA ALA A 54 -1.221 -10.543 1.167 1.00 0.00 C ATOM 625 C ALA A 54 -0.677 -11.600 0.211 1.00 0.00 C ATOM 626 O ALA A 54 -1.430 -12.209 -0.549 1.00 0.00 O ATOM 627 CB ALA A 54 -1.354 -9.205 0.457 1.00 0.00 C ATOM 0 H ALA A 54 0.210 -9.567 2.350 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.208 -10.865 1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.995 -9.319 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.794 -8.475 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.369 -8.861 0.142 1.00 0.00 H new ATOM 633 N VAL A 55 0.635 -11.811 0.252 1.00 0.00 N ATOM 634 CA VAL A 55 1.279 -12.793 -0.611 1.00 0.00 C ATOM 635 C VAL A 55 1.539 -14.108 0.127 1.00 0.00 C ATOM 636 O VAL A 55 2.107 -15.042 -0.438 1.00 0.00 O ATOM 637 CB VAL A 55 2.610 -12.256 -1.170 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.614 -12.030 -0.049 1.00 0.00 C ATOM 639 CG2 VAL A 55 3.175 -13.208 -2.216 1.00 0.00 C ATOM 0 H VAL A 55 1.273 -11.314 0.874 1.00 0.00 H new ATOM 0 HA VAL A 55 0.592 -12.982 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 55 2.416 -11.297 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.547 -11.651 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.212 -11.305 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.803 -12.972 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.115 -12.811 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.351 -14.184 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.464 -13.311 -3.036 1.00 0.00 H new ATOM 649 N ALA A 56 1.120 -14.176 1.389 1.00 0.00 N ATOM 650 CA ALA A 56 1.310 -15.377 2.197 1.00 0.00 C ATOM 651 C ALA A 56 2.786 -15.620 2.496 1.00 0.00 C ATOM 652 O ALA A 56 3.219 -16.763 2.642 1.00 0.00 O ATOM 653 CB ALA A 56 0.701 -16.588 1.500 1.00 0.00 C ATOM 0 H ALA A 56 0.647 -13.413 1.873 1.00 0.00 H new ATOM 0 HA ALA A 56 0.799 -15.224 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.851 -17.475 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.367 -16.424 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.183 -16.731 0.533 1.00 0.00 H new ATOM 659 N LYS A 57 3.555 -14.539 2.592 1.00 0.00 N ATOM 660 CA LYS A 57 4.981 -14.642 2.881 1.00 0.00 C ATOM 661 C LYS A 57 5.253 -14.380 4.360 1.00 0.00 C ATOM 662 O LYS A 57 4.325 -14.209 5.150 1.00 0.00 O ATOM 663 CB LYS A 57 5.776 -13.661 2.022 1.00 0.00 C ATOM 664 CG LYS A 57 6.214 -14.243 0.689 1.00 0.00 C ATOM 665 CD LYS A 57 6.482 -13.152 -0.332 1.00 0.00 C ATOM 666 CE LYS A 57 7.698 -13.474 -1.184 1.00 0.00 C ATOM 667 NZ LYS A 57 7.531 -13.009 -2.590 1.00 0.00 N ATOM 0 H LYS A 57 3.215 -13.584 2.474 1.00 0.00 H new ATOM 0 HA LYS A 57 5.301 -15.656 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.169 -12.774 1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.657 -13.337 2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.115 -14.840 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.442 -14.914 0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.609 -13.030 -0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.636 -12.202 0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.580 -13.005 -0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.872 -14.550 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.413 -12.565 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.306 -13.821 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.757 -12.316 -2.637 1.00 0.00 H new ATOM 681 N ASP A 58 6.529 -14.347 4.728 1.00 0.00 N ATOM 682 CA ASP A 58 6.917 -14.105 6.111 1.00 0.00 C ATOM 683 C ASP A 58 8.224 -13.319 6.186 1.00 0.00 C ATOM 684 O ASP A 58 8.849 -13.038 5.162 1.00 0.00 O ATOM 685 CB ASP A 58 7.058 -15.431 6.862 1.00 0.00 C ATOM 686 CG ASP A 58 5.893 -15.697 7.796 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.191 -14.730 8.162 1.00 0.00 O ATOM 688 OD2 ASP A 58 5.681 -16.872 8.163 1.00 0.00 O ATOM 0 H ASP A 58 7.311 -14.485 4.088 1.00 0.00 H new ATOM 0 HA ASP A 58 6.134 -13.510 6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.136 -16.246 6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.985 -15.423 7.436 1.00 0.00 H new ATOM 693 N PRO A 59 8.654 -12.952 7.406 1.00 0.00 N ATOM 694 CA PRO A 59 9.893 -12.190 7.620 1.00 0.00 C ATOM 695 C PRO A 59 11.146 -12.959 7.198 1.00 0.00 C ATOM 696 O PRO A 59 12.244 -12.403 7.181 1.00 0.00 O ATOM 697 CB PRO A 59 9.912 -11.938 9.134 1.00 0.00 C ATOM 698 CG PRO A 59 8.516 -12.188 9.592 1.00 0.00 C ATOM 699 CD PRO A 59 7.966 -13.239 8.675 1.00 0.00 C ATOM 0 HA PRO A 59 9.905 -11.280 7.020 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.615 -12.603 9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.223 -10.918 9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.499 -12.526 10.628 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.920 -11.277 9.544 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.183 -14.245 9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.883 -13.163 8.575 1.00 0.00 H new ATOM 707 N ASN A 60 10.982 -14.238 6.859 1.00 0.00 N ATOM 708 CA ASN A 60 12.106 -15.072 6.443 1.00 0.00 C ATOM 709 C ASN A 60 12.958 -14.359 5.398 1.00 0.00 C ATOM 710 O ASN A 60 14.108 -14.001 5.657 1.00 0.00 O ATOM 711 CB ASN A 60 11.599 -16.401 5.880 1.00 0.00 C ATOM 712 CG ASN A 60 10.602 -17.076 6.803 1.00 0.00 C ATOM 713 OD1 ASN A 60 9.411 -17.151 6.499 1.00 0.00 O ATOM 714 ND2 ASN A 60 11.084 -17.568 7.936 1.00 0.00 N ATOM 0 H ASN A 60 10.082 -14.717 6.865 1.00 0.00 H new ATOM 0 HA ASN A 60 12.725 -15.266 7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.133 -16.228 4.910 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.445 -17.068 5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.460 -18.031 8.597 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.078 -17.483 8.147 1.00 0.00 H new ATOM 721 N TYR A 61 12.382 -14.152 4.223 1.00 0.00 N ATOM 722 CA TYR A 61 13.081 -13.478 3.137 1.00 0.00 C ATOM 723 C TYR A 61 13.174 -11.977 3.408 1.00 0.00 C ATOM 724 O TYR A 61 12.422 -11.439 4.220 1.00 0.00 O ATOM 725 CB TYR A 61 12.374 -13.751 1.804 1.00 0.00 C ATOM 726 CG TYR A 61 11.171 -12.868 1.538 1.00 0.00 C ATOM 727 CD1 TYR A 61 10.074 -12.875 2.392 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.133 -12.034 0.428 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.976 -12.073 2.146 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.037 -11.232 0.177 1.00 0.00 C ATOM 731 CZ TYR A 61 8.962 -11.253 1.038 1.00 0.00 C ATOM 732 OH TYR A 61 7.868 -10.456 0.791 1.00 0.00 O ATOM 0 H TYR A 61 11.431 -14.441 3.996 1.00 0.00 H new ATOM 0 HA TYR A 61 14.096 -13.872 3.075 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.091 -13.620 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.056 -14.793 1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.080 -13.517 3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.974 -12.012 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.132 -12.089 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.023 -10.590 -0.692 1.00 0.00 H new ATOM 0 HH TYR A 61 8.107 -9.767 0.137 1.00 0.00 H new ATOM 742 N TRP A 62 14.102 -11.305 2.731 1.00 0.00 N ATOM 743 CA TRP A 62 14.285 -9.871 2.915 1.00 0.00 C ATOM 744 C TRP A 62 13.406 -9.074 1.957 1.00 0.00 C ATOM 745 O TRP A 62 13.091 -9.535 0.858 1.00 0.00 O ATOM 746 CB TRP A 62 15.760 -9.488 2.720 1.00 0.00 C ATOM 747 CG TRP A 62 16.074 -8.962 1.347 1.00 0.00 C ATOM 748 CD1 TRP A 62 15.842 -9.590 0.160 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.663 -7.698 1.024 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.262 -8.802 -0.882 1.00 0.00 N ATOM 751 CE2 TRP A 62 16.768 -7.634 -0.379 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.114 -6.615 1.782 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.304 -6.531 -1.037 1.00 0.00 C ATOM 754 CZ3 TRP A 62 17.644 -5.521 1.127 1.00 0.00 C ATOM 755 CH2 TRP A 62 17.737 -5.485 -0.270 1.00 0.00 C ATOM 0 H TRP A 62 14.735 -11.730 2.054 1.00 0.00 H new ATOM 0 HA TRP A 62 13.987 -9.626 3.934 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.030 -8.733 3.459 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.381 -10.362 2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.393 -10.566 0.055 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.206 -9.047 -1.871 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.049 -6.633 2.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.375 -6.502 -2.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 17.994 -4.677 1.703 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.159 -4.615 -0.751 1.00 0.00 H new ATOM 766 N ILE A 63 13.034 -7.869 2.382 1.00 0.00 N ATOM 767 CA ILE A 63 12.210 -6.987 1.567 1.00 0.00 C ATOM 768 C ILE A 63 12.653 -5.537 1.726 1.00 0.00 C ATOM 769 O ILE A 63 12.470 -4.935 2.784 1.00 0.00 O ATOM 770 CB ILE A 63 10.718 -7.086 1.944 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.256 -8.539 1.939 1.00 0.00 C ATOM 772 CG2 ILE A 63 9.875 -6.257 0.986 1.00 0.00 C ATOM 773 CD1 ILE A 63 8.942 -8.752 2.658 1.00 0.00 C ATOM 0 H ILE A 63 13.292 -7.482 3.290 1.00 0.00 H new ATOM 0 HA ILE A 63 12.337 -7.307 0.533 1.00 0.00 H new ATOM 0 HB ILE A 63 10.591 -6.691 2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.157 -8.878 0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.022 -9.158 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.824 -6.336 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.186 -5.214 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.010 -6.626 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.672 -9.807 2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.042 -8.444 3.699 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.164 -8.159 2.177 1.00 0.00 H new ATOM 785 N GLN A 64 13.226 -4.979 0.667 1.00 0.00 N ATOM 786 CA GLN A 64 13.685 -3.596 0.691 1.00 0.00 C ATOM 787 C GLN A 64 12.793 -2.718 -0.178 1.00 0.00 C ATOM 788 O GLN A 64 12.915 -2.714 -1.402 1.00 0.00 O ATOM 789 CB GLN A 64 15.133 -3.506 0.213 1.00 0.00 C ATOM 790 CG GLN A 64 15.997 -2.585 1.060 1.00 0.00 C ATOM 791 CD GLN A 64 16.768 -1.579 0.229 1.00 0.00 C ATOM 792 OE1 GLN A 64 17.309 -1.911 -0.825 1.00 0.00 O ATOM 793 NE2 GLN A 64 16.823 -0.338 0.702 1.00 0.00 N ATOM 0 H GLN A 64 13.384 -5.462 -0.218 1.00 0.00 H new ATOM 0 HA GLN A 64 13.631 -3.237 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.570 -4.504 0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.145 -3.155 -0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 64 15.365 -2.054 1.772 1.00 0.00 H new ATOM 0 HG3 GLN A 64 16.698 -3.184 1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.360 -0.106 1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.328 0.382 0.186 1.00 0.00 H new ATOM 802 N VAL A 65 11.895 -1.978 0.463 1.00 0.00 N ATOM 803 CA VAL A 65 10.983 -1.097 -0.254 1.00 0.00 C ATOM 804 C VAL A 65 11.621 0.266 -0.503 1.00 0.00 C ATOM 805 O VAL A 65 11.617 1.139 0.365 1.00 0.00 O ATOM 806 CB VAL A 65 9.655 -0.924 0.510 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.886 -0.288 1.872 1.00 0.00 C ATOM 808 CG2 VAL A 65 8.668 -0.108 -0.311 1.00 0.00 C ATOM 0 H VAL A 65 11.780 -1.971 1.476 1.00 0.00 H new ATOM 0 HA VAL A 65 10.770 -1.564 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 65 9.227 -1.913 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.933 -0.178 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.547 -0.922 2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.344 0.693 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.737 0.003 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.090 0.877 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.469 -0.618 -1.253 1.00 0.00 H new ATOM 818 N HIS A 66 12.181 0.434 -1.698 1.00 0.00 N ATOM 819 CA HIS A 66 12.838 1.682 -2.074 1.00 0.00 C ATOM 820 C HIS A 66 11.912 2.884 -1.886 1.00 0.00 C ATOM 821 O HIS A 66 11.995 3.590 -0.881 1.00 0.00 O ATOM 822 CB HIS A 66 13.322 1.608 -3.526 1.00 0.00 C ATOM 823 CG HIS A 66 14.320 0.518 -3.767 1.00 0.00 C ATOM 824 ND1 HIS A 66 15.633 0.594 -3.351 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.191 -0.681 -4.381 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.268 -0.509 -3.703 1.00 0.00 C ATOM 827 NE2 HIS A 66 15.416 -1.299 -4.328 1.00 0.00 N ATOM 0 H HIS A 66 12.193 -0.282 -2.425 1.00 0.00 H new ATOM 0 HA HIS A 66 13.696 1.818 -1.416 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.463 1.455 -4.180 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.766 2.564 -3.802 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.292 -1.078 -4.829 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.308 -0.727 -3.512 1.00 0.00 H new ATOM 0 HE2 HIS A 66 15.632 -2.220 -4.710 1.00 0.00 H new ATOM 836 N ARG A 67 11.035 3.113 -2.857 1.00 0.00 N ATOM 837 CA ARG A 67 10.101 4.233 -2.796 1.00 0.00 C ATOM 838 C ARG A 67 8.860 3.950 -3.637 1.00 0.00 C ATOM 839 O ARG A 67 8.632 2.814 -4.055 1.00 0.00 O ATOM 840 CB ARG A 67 10.785 5.515 -3.276 1.00 0.00 C ATOM 841 CG ARG A 67 11.179 5.483 -4.743 1.00 0.00 C ATOM 842 CD ARG A 67 12.559 6.082 -4.965 1.00 0.00 C ATOM 843 NE ARG A 67 13.585 5.054 -5.128 1.00 0.00 N ATOM 844 CZ ARG A 67 13.811 4.405 -6.270 1.00 0.00 C ATOM 845 NH1 ARG A 67 13.085 4.673 -7.348 1.00 0.00 N ATOM 846 NH2 ARG A 67 14.766 3.489 -6.332 1.00 0.00 N ATOM 0 H ARG A 67 10.951 2.539 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 67 9.789 4.364 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.116 6.359 -3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.676 5.689 -2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.167 4.454 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.444 6.034 -5.330 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.540 6.718 -5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.817 6.720 -4.120 1.00 0.00 H new ATOM 0 HE ARG A 67 14.162 4.819 -4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.350 5.379 -7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.262 4.173 -8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.328 3.281 -5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.940 2.992 -7.205 1.00 0.00 H new ATOM 860 N LEU A 68 8.058 4.984 -3.882 1.00 0.00 N ATOM 861 CA LEU A 68 6.841 4.828 -4.673 1.00 0.00 C ATOM 862 C LEU A 68 6.790 5.844 -5.811 1.00 0.00 C ATOM 863 O LEU A 68 7.539 6.821 -5.819 1.00 0.00 O ATOM 864 CB LEU A 68 5.602 4.979 -3.788 1.00 0.00 C ATOM 865 CG LEU A 68 5.749 4.436 -2.364 1.00 0.00 C ATOM 866 CD1 LEU A 68 4.643 4.973 -1.472 1.00 0.00 C ATOM 867 CD2 LEU A 68 5.738 2.915 -2.372 1.00 0.00 C ATOM 0 H LEU A 68 8.228 5.932 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 68 6.852 3.827 -5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.342 6.036 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.767 4.470 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 68 6.706 4.772 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.764 4.576 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.696 6.061 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.675 4.667 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.843 2.545 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.796 2.560 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.566 2.548 -2.978 1.00 0.00 H new ATOM 879 N GLU A 69 5.901 5.604 -6.769 1.00 0.00 N ATOM 880 CA GLU A 69 5.746 6.495 -7.913 1.00 0.00 C ATOM 881 C GLU A 69 4.275 6.641 -8.292 1.00 0.00 C ATOM 882 O GLU A 69 3.511 5.678 -8.231 1.00 0.00 O ATOM 883 CB GLU A 69 6.542 5.967 -9.108 1.00 0.00 C ATOM 884 CG GLU A 69 7.296 7.049 -9.863 1.00 0.00 C ATOM 885 CD GLU A 69 7.168 6.908 -11.367 1.00 0.00 C ATOM 886 OE1 GLU A 69 6.946 5.773 -11.840 1.00 0.00 O ATOM 887 OE2 GLU A 69 7.290 7.932 -12.072 1.00 0.00 O ATOM 0 H GLU A 69 5.276 4.798 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 69 6.131 7.476 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.252 5.218 -8.758 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.860 5.464 -9.794 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.921 8.027 -9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.350 7.012 -9.587 1.00 0.00 H new ATOM 894 N HIS A 70 3.886 7.849 -8.681 1.00 0.00 N ATOM 895 CA HIS A 70 2.505 8.118 -9.070 1.00 0.00 C ATOM 896 C HIS A 70 2.128 7.335 -10.323 1.00 0.00 C ATOM 897 O HIS A 70 0.994 6.878 -10.463 1.00 0.00 O ATOM 898 CB HIS A 70 2.302 9.616 -9.307 1.00 0.00 C ATOM 899 CG HIS A 70 1.811 10.352 -8.098 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.584 10.107 -7.514 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.386 11.331 -7.361 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.428 10.904 -6.473 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.508 11.656 -6.357 1.00 0.00 N ATOM 0 H HIS A 70 4.505 8.658 -8.736 1.00 0.00 H new ATOM 0 HA HIS A 70 1.856 7.796 -8.256 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.245 10.055 -9.632 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.590 9.754 -10.120 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.096 9.418 -7.836 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.356 11.774 -7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.436 10.936 -5.826 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.664 12.363 -5.638 1.00 0.00 H new ATOM 912 N GLY A 71 3.086 7.183 -11.233 1.00 0.00 N ATOM 913 CA GLY A 71 2.833 6.454 -12.462 1.00 0.00 C ATOM 914 C GLY A 71 3.305 7.205 -13.692 1.00 0.00 C ATOM 915 O GLY A 71 4.356 6.892 -14.252 1.00 0.00 O ATOM 0 H GLY A 71 4.033 7.552 -11.141 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.334 5.487 -12.416 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.765 6.256 -12.549 1.00 0.00 H new ATOM 919 N ASP A 72 2.527 8.197 -14.111 1.00 0.00 N ATOM 920 CA ASP A 72 2.871 8.995 -15.282 1.00 0.00 C ATOM 921 C ASP A 72 3.595 10.277 -14.874 1.00 0.00 C ATOM 922 O ASP A 72 3.354 11.345 -15.436 1.00 0.00 O ATOM 923 CB ASP A 72 1.610 9.334 -16.079 1.00 0.00 C ATOM 924 CG ASP A 72 1.384 8.379 -17.236 1.00 0.00 C ATOM 925 OD1 ASP A 72 2.338 8.147 -18.008 1.00 0.00 O ATOM 926 OD2 ASP A 72 0.254 7.865 -17.370 1.00 0.00 O ATOM 0 H ASP A 72 1.654 8.468 -13.657 1.00 0.00 H new ATOM 0 HA ASP A 72 3.541 8.408 -15.910 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.746 9.308 -15.415 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.687 10.352 -16.461 1.00 0.00 H new ATOM 931 N GLY A 73 4.486 10.161 -13.894 1.00 0.00 N ATOM 932 CA GLY A 73 5.231 11.317 -13.430 1.00 0.00 C ATOM 933 C GLY A 73 4.785 11.780 -12.056 1.00 0.00 C ATOM 934 O GLY A 73 3.743 12.419 -11.918 1.00 0.00 O ATOM 0 H GLY A 73 4.705 9.288 -13.414 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.293 11.074 -13.401 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.110 12.133 -14.142 1.00 0.00 H new ATOM 938 N GLY A 74 5.578 11.458 -11.039 1.00 0.00 N ATOM 939 CA GLY A 74 5.244 11.853 -9.685 1.00 0.00 C ATOM 940 C GLY A 74 5.891 10.962 -8.642 1.00 0.00 C ATOM 941 O GLY A 74 5.203 10.351 -7.824 1.00 0.00 O ATOM 0 H GLY A 74 6.446 10.930 -11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.559 12.884 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.162 11.827 -9.559 1.00 0.00 H new ATOM 945 N ILE A 75 7.218 10.888 -8.672 1.00 0.00 N ATOM 946 CA ILE A 75 7.958 10.066 -7.722 1.00 0.00 C ATOM 947 C ILE A 75 7.860 10.636 -6.313 1.00 0.00 C ATOM 948 O ILE A 75 7.584 11.823 -6.132 1.00 0.00 O ATOM 949 CB ILE A 75 9.447 9.949 -8.110 1.00 0.00 C ATOM 950 CG1 ILE A 75 9.593 9.708 -9.614 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.111 8.832 -7.317 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.021 9.462 -10.055 1.00 0.00 C ATOM 0 H ILE A 75 7.802 11.387 -9.343 1.00 0.00 H new ATOM 0 HA ILE A 75 7.506 9.074 -7.747 1.00 0.00 H new ATOM 0 HB ILE A 75 9.946 10.887 -7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.982 8.851 -9.897 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.200 10.571 -10.151 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.161 8.760 -7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.036 9.048 -6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.612 7.887 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.046 9.299 -11.133 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.634 10.328 -9.804 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.412 8.581 -9.546 1.00 0.00 H new ATOM 964 N LEU A 76 8.093 9.788 -5.316 1.00 0.00 N ATOM 965 CA LEU A 76 8.035 10.216 -3.925 1.00 0.00 C ATOM 966 C LEU A 76 8.826 9.272 -3.025 1.00 0.00 C ATOM 967 O LEU A 76 8.681 8.050 -3.106 1.00 0.00 O ATOM 968 CB LEU A 76 6.587 10.307 -3.445 1.00 0.00 C ATOM 969 CG LEU A 76 5.669 9.227 -4.000 1.00 0.00 C ATOM 970 CD1 LEU A 76 5.149 8.338 -2.881 1.00 0.00 C ATOM 971 CD2 LEU A 76 4.515 9.846 -4.775 1.00 0.00 C ATOM 0 H LEU A 76 8.323 8.803 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 76 8.487 11.206 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.574 10.253 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.187 11.283 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 76 6.247 8.609 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.495 7.573 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.989 7.861 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.590 8.942 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.872 9.056 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.938 10.492 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.908 10.434 -5.605 1.00 0.00 H new ATOM 983 N ASP A 77 9.662 9.853 -2.171 1.00 0.00 N ATOM 984 CA ASP A 77 10.484 9.077 -1.250 1.00 0.00 C ATOM 985 C ASP A 77 9.757 8.864 0.080 1.00 0.00 C ATOM 986 O ASP A 77 8.529 8.921 0.138 1.00 0.00 O ATOM 987 CB ASP A 77 11.826 9.785 -1.028 1.00 0.00 C ATOM 988 CG ASP A 77 11.683 11.071 -0.235 1.00 0.00 C ATOM 989 OD1 ASP A 77 11.162 12.060 -0.793 1.00 0.00 O ATOM 990 OD2 ASP A 77 12.094 11.089 0.945 1.00 0.00 O ATOM 0 H ASP A 77 9.788 10.863 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 77 10.672 8.097 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.505 9.113 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.280 10.007 -1.994 1.00 0.00 H new ATOM 995 N LEU A 78 10.519 8.616 1.143 1.00 0.00 N ATOM 996 CA LEU A 78 9.942 8.392 2.463 1.00 0.00 C ATOM 997 C LEU A 78 10.295 9.536 3.408 1.00 0.00 C ATOM 998 O LEU A 78 11.266 9.457 4.159 1.00 0.00 O ATOM 999 CB LEU A 78 10.437 7.065 3.047 1.00 0.00 C ATOM 1000 CG LEU A 78 10.754 5.977 2.018 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.186 6.108 1.527 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.517 4.597 2.614 1.00 0.00 C ATOM 0 H LEU A 78 11.537 8.565 1.114 1.00 0.00 H new ATOM 0 HA LEU A 78 8.858 8.349 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.334 7.258 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.681 6.684 3.733 1.00 0.00 H new ATOM 0 HG LEU A 78 10.087 6.103 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.393 5.326 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.323 7.084 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.870 6.007 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.747 3.835 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.160 4.461 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.474 4.506 2.917 1.00 0.00 H new ATOM 1014 N ASP A 79 9.500 10.601 3.361 1.00 0.00 N ATOM 1015 CA ASP A 79 9.731 11.762 4.213 1.00 0.00 C ATOM 1016 C ASP A 79 8.575 12.750 4.114 1.00 0.00 C ATOM 1017 O ASP A 79 8.146 13.321 5.116 1.00 0.00 O ATOM 1018 CB ASP A 79 11.040 12.452 3.823 1.00 0.00 C ATOM 1019 CG ASP A 79 11.745 13.069 5.016 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.289 14.129 5.493 1.00 0.00 O ATOM 1021 OD2 ASP A 79 12.754 12.492 5.473 1.00 0.00 O ATOM 0 H ASP A 79 8.692 10.684 2.744 1.00 0.00 H new ATOM 0 HA ASP A 79 9.801 11.416 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.702 11.728 3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.833 13.227 3.085 1.00 0.00 H new ATOM 1026 N ASP A 80 8.071 12.946 2.900 1.00 0.00 N ATOM 1027 CA ASP A 80 6.962 13.866 2.672 1.00 0.00 C ATOM 1028 C ASP A 80 5.642 13.251 3.128 1.00 0.00 C ATOM 1029 O ASP A 80 5.420 12.051 2.970 1.00 0.00 O ATOM 1030 CB ASP A 80 6.879 14.245 1.192 1.00 0.00 C ATOM 1031 CG ASP A 80 7.556 15.569 0.895 1.00 0.00 C ATOM 1032 OD1 ASP A 80 8.494 15.935 1.635 1.00 0.00 O ATOM 1033 OD2 ASP A 80 7.148 16.240 -0.075 1.00 0.00 O ATOM 0 H ASP A 80 8.413 12.480 2.059 1.00 0.00 H new ATOM 0 HA ASP A 80 7.144 14.766 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.342 13.461 0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.833 14.300 0.892 1.00 0.00 H new ATOM 1038 N ILE A 81 4.771 14.077 3.700 1.00 0.00 N ATOM 1039 CA ILE A 81 3.479 13.611 4.182 1.00 0.00 C ATOM 1040 C ILE A 81 2.678 12.941 3.072 1.00 0.00 C ATOM 1041 O ILE A 81 2.904 13.185 1.887 1.00 0.00 O ATOM 1042 CB ILE A 81 2.667 14.775 4.783 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.335 15.236 6.071 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.223 14.363 5.047 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.308 14.184 7.157 1.00 0.00 C ATOM 0 H ILE A 81 4.939 15.073 3.840 1.00 0.00 H new ATOM 0 HA ILE A 81 3.671 12.872 4.960 1.00 0.00 H new ATOM 0 HB ILE A 81 2.646 15.597 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.370 15.508 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.836 16.136 6.431 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.676 15.205 5.471 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.754 14.060 4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.205 13.529 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.799 14.571 8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.274 13.930 7.392 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.832 13.292 6.813 1.00 0.00 H new ATOM 1057 N LEU A 82 1.744 12.085 3.473 1.00 0.00 N ATOM 1058 CA LEU A 82 0.910 11.365 2.523 1.00 0.00 C ATOM 1059 C LEU A 82 -0.011 12.315 1.763 1.00 0.00 C ATOM 1060 O LEU A 82 0.001 12.356 0.534 1.00 0.00 O ATOM 1061 CB LEU A 82 0.083 10.299 3.243 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.892 9.527 2.353 1.00 0.00 C ATOM 1063 CD1 LEU A 82 -0.137 8.722 1.306 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -1.773 8.616 3.195 1.00 0.00 C ATOM 0 H LEU A 82 1.547 11.874 4.451 1.00 0.00 H new ATOM 0 HA LEU A 82 1.568 10.880 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.763 9.589 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.481 10.777 4.044 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.531 10.245 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.847 8.179 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.452 9.396 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.527 8.013 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.461 8.074 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.149 7.905 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.341 9.215 3.906 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.815 13.071 2.503 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.750 14.015 1.898 1.00 0.00 C ATOM 1078 C CYS A 83 -1.019 15.146 1.177 1.00 0.00 C ATOM 1079 O CYS A 83 -1.620 15.879 0.392 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.678 14.596 2.967 1.00 0.00 C ATOM 1081 SG CYS A 83 -3.923 15.739 2.321 1.00 0.00 S ATOM 0 H CYS A 83 -0.839 13.049 3.522 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.340 13.470 1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.183 13.777 3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.076 15.115 3.713 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.482 16.290 1.229 1.00 0.00 H new ATOM 1087 N ASP A 84 0.275 15.290 1.446 1.00 0.00 N ATOM 1088 CA ASP A 84 1.070 16.340 0.821 1.00 0.00 C ATOM 1089 C ASP A 84 1.704 15.856 -0.481 1.00 0.00 C ATOM 1090 O ASP A 84 1.962 16.651 -1.386 1.00 0.00 O ATOM 1091 CB ASP A 84 2.158 16.826 1.781 1.00 0.00 C ATOM 1092 CG ASP A 84 2.629 18.229 1.457 1.00 0.00 C ATOM 1093 OD1 ASP A 84 3.154 18.438 0.342 1.00 0.00 O ATOM 1094 OD2 ASP A 84 2.474 19.121 2.318 1.00 0.00 O ATOM 0 H ASP A 84 0.794 14.694 2.091 1.00 0.00 H new ATOM 0 HA ASP A 84 0.401 17.168 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.776 16.800 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.006 16.142 1.741 1.00 0.00 H new ATOM 1099 N VAL A 85 1.960 14.554 -0.570 1.00 0.00 N ATOM 1100 CA VAL A 85 2.569 13.980 -1.765 1.00 0.00 C ATOM 1101 C VAL A 85 1.643 12.978 -2.454 1.00 0.00 C ATOM 1102 O VAL A 85 2.030 12.335 -3.431 1.00 0.00 O ATOM 1103 CB VAL A 85 3.903 13.283 -1.429 1.00 0.00 C ATOM 1104 CG1 VAL A 85 3.676 12.094 -0.506 1.00 0.00 C ATOM 1105 CG2 VAL A 85 4.615 12.852 -2.704 1.00 0.00 C ATOM 0 H VAL A 85 1.756 13.879 0.167 1.00 0.00 H new ATOM 0 HA VAL A 85 2.753 14.810 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 85 4.540 13.996 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.631 11.619 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.216 12.436 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.018 11.375 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.554 12.362 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.982 12.158 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.819 13.727 -3.321 1.00 0.00 H new ATOM 1115 N ALA A 86 0.422 12.842 -1.946 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.542 11.913 -2.525 1.00 0.00 C ATOM 1117 C ALA A 86 -1.960 12.465 -2.439 1.00 0.00 C ATOM 1118 O ALA A 86 -2.194 13.511 -1.835 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.455 10.565 -1.826 1.00 0.00 C ATOM 0 H ALA A 86 0.078 13.361 -1.138 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.297 11.783 -3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.179 9.879 -2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.549 10.158 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.673 10.690 -0.765 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.903 11.751 -3.045 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.301 12.168 -3.038 1.00 0.00 C ATOM 1127 C ASP A 87 -5.217 10.989 -2.723 1.00 0.00 C ATOM 1128 O ASP A 87 -4.879 9.837 -2.994 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.680 12.780 -4.388 1.00 0.00 C ATOM 1130 CG ASP A 87 -4.830 14.287 -4.318 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -5.598 14.767 -3.458 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -4.184 14.988 -5.123 1.00 0.00 O ATOM 0 H ASP A 87 -2.725 10.881 -3.547 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.427 12.921 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.918 12.527 -5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.616 12.340 -4.733 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.380 11.285 -2.148 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.346 10.251 -1.795 1.00 0.00 C ATOM 1139 C ASP A 88 -7.726 9.418 -3.016 1.00 0.00 C ATOM 1140 O ASP A 88 -7.964 9.956 -4.098 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.598 10.882 -1.182 1.00 0.00 C ATOM 1142 CG ASP A 88 -9.056 10.157 0.070 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -9.045 8.908 0.069 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -9.424 10.838 1.049 1.00 0.00 O ATOM 0 H ASP A 88 -6.675 12.234 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.883 9.592 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.395 11.925 -0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.402 10.875 -1.917 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.777 8.103 -2.835 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.126 7.193 -3.919 1.00 0.00 C ATOM 1151 C LYS A 89 -7.156 7.347 -5.089 1.00 0.00 C ATOM 1152 O LYS A 89 -7.563 7.647 -6.212 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.560 7.448 -4.387 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.592 6.583 -3.683 1.00 0.00 C ATOM 1155 CD LYS A 89 -10.966 7.154 -2.324 1.00 0.00 C ATOM 1156 CE LYS A 89 -12.435 6.921 -2.008 1.00 0.00 C ATOM 1157 NZ LYS A 89 -13.041 8.080 -1.297 1.00 0.00 N ATOM 0 H LYS A 89 -7.581 7.643 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.054 6.172 -3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.805 8.497 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.620 7.270 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.485 6.503 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.199 5.574 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.349 6.694 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.754 8.223 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.981 6.737 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.537 6.026 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.043 7.881 -1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.537 8.240 -0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.967 8.930 -1.892 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.872 7.141 -4.816 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.844 7.261 -5.847 1.00 0.00 C ATOM 1173 C ASP A 90 -4.079 5.951 -6.014 1.00 0.00 C ATOM 1174 O ASP A 90 -4.046 5.119 -5.108 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.873 8.392 -5.499 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.085 8.867 -6.704 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.713 9.265 -7.707 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.836 8.843 -6.644 1.00 0.00 O ATOM 0 H ASP A 90 -5.518 6.891 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.339 7.492 -6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.430 9.230 -5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.182 8.050 -4.728 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.462 5.779 -7.179 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.690 4.574 -7.469 1.00 0.00 C ATOM 1185 C ARG A 91 -1.217 4.914 -7.679 1.00 0.00 C ATOM 1186 O ARG A 91 -0.886 5.898 -8.340 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.250 3.871 -8.707 1.00 0.00 C ATOM 1188 CG ARG A 91 -4.102 2.655 -8.384 1.00 0.00 C ATOM 1189 CD ARG A 91 -5.086 2.346 -9.503 1.00 0.00 C ATOM 1190 NE ARG A 91 -4.413 1.866 -10.708 1.00 0.00 N ATOM 1191 CZ ARG A 91 -4.076 2.643 -11.738 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -4.343 3.944 -11.719 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -3.469 2.115 -12.792 1.00 0.00 N ATOM 0 H ARG A 91 -3.481 6.459 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.770 3.902 -6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.848 4.581 -9.278 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.422 3.564 -9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.457 1.792 -8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.648 2.829 -7.457 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.798 1.595 -9.162 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.658 3.243 -9.740 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.187 0.873 -10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -4.810 4.357 -10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.081 4.530 -12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.261 1.117 -12.814 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.210 2.707 -13.581 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.339 4.098 -7.106 1.00 0.00 N ATOM 1208 CA LEU A 92 1.099 4.317 -7.227 1.00 0.00 C ATOM 1209 C LEU A 92 1.847 2.993 -7.350 1.00 0.00 C ATOM 1210 O LEU A 92 1.377 1.956 -6.882 1.00 0.00 O ATOM 1211 CB LEU A 92 1.618 5.091 -6.012 1.00 0.00 C ATOM 1212 CG LEU A 92 0.839 6.365 -5.669 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.063 6.186 -4.373 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.782 7.556 -5.567 1.00 0.00 C ATOM 0 H LEU A 92 -0.597 3.280 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 92 1.276 4.899 -8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.601 4.430 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.660 5.358 -6.189 1.00 0.00 H new ATOM 0 HG LEU A 92 0.126 6.558 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.483 7.102 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.641 5.361 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.756 5.967 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.211 8.452 -5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.519 7.371 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.292 7.699 -6.520 1.00 0.00 H new ATOM 1226 N VAL A 93 3.021 3.040 -7.973 1.00 0.00 N ATOM 1227 CA VAL A 93 3.843 1.851 -8.149 1.00 0.00 C ATOM 1228 C VAL A 93 4.951 1.803 -7.102 1.00 0.00 C ATOM 1229 O VAL A 93 5.804 2.688 -7.047 1.00 0.00 O ATOM 1230 CB VAL A 93 4.476 1.804 -9.553 1.00 0.00 C ATOM 1231 CG1 VAL A 93 3.490 1.243 -10.566 1.00 0.00 C ATOM 1232 CG2 VAL A 93 4.963 3.181 -9.978 1.00 0.00 C ATOM 0 H VAL A 93 3.424 3.892 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 93 3.188 0.988 -8.030 1.00 0.00 H new ATOM 0 HB VAL A 93 5.340 1.141 -9.513 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.955 1.218 -11.551 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.204 0.233 -10.274 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.603 1.876 -10.600 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.405 3.120 -10.972 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.122 3.874 -9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.711 3.537 -9.270 1.00 0.00 H new ATOM 1242 N ALA A 94 4.925 0.772 -6.266 1.00 0.00 N ATOM 1243 CA ALA A 94 5.922 0.619 -5.213 1.00 0.00 C ATOM 1244 C ALA A 94 7.109 -0.217 -5.678 1.00 0.00 C ATOM 1245 O ALA A 94 6.951 -1.366 -6.094 1.00 0.00 O ATOM 1246 CB ALA A 94 5.289 -0.007 -3.979 1.00 0.00 C ATOM 0 H ALA A 94 4.225 0.030 -6.296 1.00 0.00 H new ATOM 0 HA ALA A 94 6.295 1.612 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.043 -0.116 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.484 0.633 -3.618 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.886 -0.987 -4.234 1.00 0.00 H new ATOM 1252 N VAL A 95 8.301 0.366 -5.592 1.00 0.00 N ATOM 1253 CA VAL A 95 9.524 -0.323 -5.987 1.00 0.00 C ATOM 1254 C VAL A 95 10.198 -0.942 -4.769 1.00 0.00 C ATOM 1255 O VAL A 95 10.451 -0.260 -3.775 1.00 0.00 O ATOM 1256 CB VAL A 95 10.512 0.635 -6.681 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.692 -0.137 -7.251 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.808 1.430 -7.770 1.00 0.00 C ATOM 0 H VAL A 95 8.445 1.316 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 95 9.245 -1.106 -6.693 1.00 0.00 H new ATOM 0 HB VAL A 95 10.892 1.337 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.379 0.555 -7.737 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.210 -0.657 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.333 -0.864 -7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.521 2.101 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.398 0.746 -8.513 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.000 2.014 -7.330 1.00 0.00 H new ATOM 1268 N PHE A 96 10.478 -2.238 -4.840 1.00 0.00 N ATOM 1269 CA PHE A 96 11.111 -2.932 -3.723 1.00 0.00 C ATOM 1270 C PHE A 96 11.872 -4.172 -4.175 1.00 0.00 C ATOM 1271 O PHE A 96 11.754 -4.612 -5.319 1.00 0.00 O ATOM 1272 CB PHE A 96 10.056 -3.316 -2.676 1.00 0.00 C ATOM 1273 CG PHE A 96 9.167 -4.476 -3.061 1.00 0.00 C ATOM 1274 CD1 PHE A 96 9.015 -4.860 -4.388 1.00 0.00 C ATOM 1275 CD2 PHE A 96 8.478 -5.180 -2.086 1.00 0.00 C ATOM 1276 CE1 PHE A 96 8.197 -5.919 -4.728 1.00 0.00 C ATOM 1277 CE2 PHE A 96 7.659 -6.240 -2.423 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.518 -6.610 -3.745 1.00 0.00 C ATOM 0 H PHE A 96 10.280 -2.825 -5.650 1.00 0.00 H new ATOM 0 HA PHE A 96 11.834 -2.247 -3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.564 -3.561 -1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.429 -2.447 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.543 -4.324 -5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.583 -4.896 -1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 96 8.088 -6.207 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 96 7.129 -6.779 -1.652 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.878 -7.438 -4.010 1.00 0.00 H new ATOM 1288 N ASP A 97 12.647 -4.734 -3.253 1.00 0.00 N ATOM 1289 CA ASP A 97 13.427 -5.934 -3.523 1.00 0.00 C ATOM 1290 C ASP A 97 12.938 -7.081 -2.648 1.00 0.00 C ATOM 1291 O ASP A 97 12.331 -6.854 -1.602 1.00 0.00 O ATOM 1292 CB ASP A 97 14.913 -5.671 -3.262 1.00 0.00 C ATOM 1293 CG ASP A 97 15.745 -5.745 -4.527 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.627 -4.833 -5.372 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.517 -6.717 -4.673 1.00 0.00 O ATOM 0 H ASP A 97 12.751 -4.373 -2.305 1.00 0.00 H new ATOM 0 HA ASP A 97 13.299 -6.207 -4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.031 -4.686 -2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.287 -6.399 -2.542 1.00 0.00 H new ATOM 1300 N GLU A 98 13.196 -8.310 -3.078 1.00 0.00 N ATOM 1301 CA GLU A 98 12.766 -9.479 -2.322 1.00 0.00 C ATOM 1302 C GLU A 98 13.662 -10.681 -2.602 1.00 0.00 C ATOM 1303 O GLU A 98 14.009 -10.953 -3.751 1.00 0.00 O ATOM 1304 CB GLU A 98 11.315 -9.825 -2.662 1.00 0.00 C ATOM 1305 CG GLU A 98 11.001 -9.742 -4.147 1.00 0.00 C ATOM 1306 CD GLU A 98 10.504 -11.057 -4.713 1.00 0.00 C ATOM 1307 OE1 GLU A 98 9.463 -11.554 -4.237 1.00 0.00 O ATOM 1308 OE2 GLU A 98 11.157 -11.593 -5.635 1.00 0.00 O ATOM 0 H GLU A 98 13.698 -8.522 -3.940 1.00 0.00 H new ATOM 0 HA GLU A 98 12.841 -9.236 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.099 -10.833 -2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.653 -9.149 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.248 -8.972 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.896 -9.434 -4.687 1.00 0.00 H new ATOM 1315 N GLN A 99 14.028 -11.404 -1.545 1.00 0.00 N ATOM 1316 CA GLN A 99 14.877 -12.582 -1.691 1.00 0.00 C ATOM 1317 C GLN A 99 14.062 -13.861 -1.526 1.00 0.00 C ATOM 1318 O GLN A 99 14.281 -14.634 -0.594 1.00 0.00 O ATOM 1319 CB GLN A 99 16.028 -12.559 -0.680 1.00 0.00 C ATOM 1320 CG GLN A 99 16.915 -13.793 -0.731 1.00 0.00 C ATOM 1321 CD GLN A 99 18.363 -13.482 -0.412 1.00 0.00 C ATOM 1322 OE1 GLN A 99 19.249 -13.662 -1.250 1.00 0.00 O ATOM 1323 NE2 GLN A 99 18.613 -13.012 0.805 1.00 0.00 N ATOM 0 H GLN A 99 13.752 -11.196 -0.585 1.00 0.00 H new ATOM 0 HA GLN A 99 15.299 -12.563 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.640 -11.675 -0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.615 -12.461 0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.542 -14.534 -0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 99 16.853 -14.240 -1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.849 -12.878 1.467 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.569 -12.785 1.077 1.00 0.00 H new ATOM 1332 N ASP A 100 13.120 -14.078 -2.439 1.00 0.00 N ATOM 1333 CA ASP A 100 12.272 -15.264 -2.393 1.00 0.00 C ATOM 1334 C ASP A 100 12.294 -16.002 -3.729 1.00 0.00 C ATOM 1335 O ASP A 100 12.708 -17.179 -3.747 1.00 0.00 O ATOM 1336 CB ASP A 100 10.836 -14.874 -2.033 1.00 0.00 C ATOM 1337 CG ASP A 100 10.256 -15.750 -0.940 1.00 0.00 C ATOM 1338 OD1 ASP A 100 10.393 -16.988 -1.035 1.00 0.00 O ATOM 1339 OD2 ASP A 100 9.664 -15.199 0.011 1.00 0.00 O ATOM 1340 OXT ASP A 100 11.895 -15.395 -4.746 1.00 0.00 O ATOM 0 H ASP A 100 12.925 -13.449 -3.218 1.00 0.00 H new ATOM 0 HA ASP A 100 12.663 -15.932 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.815 -13.833 -1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.209 -14.944 -2.922 1.00 0.00 H new TER 1345 ASP A 100