USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 739 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 Single : A 6 CYS SG : rot 15:sc= 0.102 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.23) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -0.111 F(o=-0.71,f=-0.11) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 40 ASN : amide:sc= 0.283 K(o=0.28,f=-0.33) USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= -1.66 (180deg=-3.84!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.36 F(o=-4.2!,f=-1.4) USER MOD Single : A 62 SER OG : rot -165:sc= 0.402 USER MOD Single : A 72 ASN : amide:sc= -1.99 X(o=-2,f=-2) USER MOD Single : A 84 TYR OH : rot 96:sc= -0.791 USER MOD Single : A 85 GLN :FLIP amide:sc= -1.99! C(o=-4.4!,f=-2!) USER MOD Single : A 87 GLN :FLIP amide:sc= -1.11 F(o=-4.4,f=-1.1) USER MOD Single : A 89 GLN : amide:sc= -0.0966 X(o=-0.097,f=-0.058) USER MOD Single : A 91 SER OG : rot 180:sc= -0.281 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -46:sc= 0.277 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.366 -1.468 3.695 1.00 0.43 N ATOM 49 CA LEU A 5 15.373 -0.809 4.523 1.00 0.45 C ATOM 50 C LEU A 5 14.123 -1.677 4.580 1.00 0.37 C ATOM 51 O LEU A 5 13.855 -2.441 3.652 1.00 0.42 O ATOM 52 CB LEU A 5 15.050 0.585 3.955 1.00 0.52 C ATOM 53 CG LEU A 5 14.191 0.604 2.682 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.708 0.595 3.017 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.523 1.808 1.822 1.00 1.27 C ATOM 0 HA LEU A 5 15.761 -0.676 5.533 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.537 1.161 4.725 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.989 1.098 3.745 1.00 0.52 H new ATOM 0 HG LEU A 5 14.421 -0.301 2.120 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.127 0.609 2.095 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.468 -0.305 3.584 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.464 1.475 3.613 1.00 1.28 H new ATOM 0 HD21 LEU A 5 13.901 1.798 0.927 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.333 2.721 2.386 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.574 1.771 1.534 1.00 1.27 H new ATOM 67 N CYS A 6 13.367 -1.573 5.655 1.00 0.34 N ATOM 68 CA CYS A 6 12.129 -2.325 5.776 1.00 0.31 C ATOM 69 C CYS A 6 10.948 -1.373 5.819 1.00 0.24 C ATOM 70 O CYS A 6 11.054 -0.268 6.350 1.00 0.27 O ATOM 71 CB CYS A 6 12.148 -3.202 7.030 1.00 0.40 C ATOM 72 SG CYS A 6 10.697 -4.267 7.223 1.00 1.35 S ATOM 0 H CYS A 6 13.585 -0.979 6.455 1.00 0.34 H new ATOM 0 HA CYS A 6 12.031 -2.975 4.907 1.00 0.31 H new ATOM 0 HB2 CYS A 6 13.041 -3.827 7.008 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.230 -2.559 7.906 1.00 0.40 H new ATOM 0 HG CYS A 6 10.042 -4.315 6.101 1.00 1.35 H new ATOM 78 N VAL A 7 9.835 -1.794 5.243 1.00 0.24 N ATOM 79 CA VAL A 7 8.630 -0.987 5.251 1.00 0.25 C ATOM 80 C VAL A 7 7.476 -1.763 5.875 1.00 0.25 C ATOM 81 O VAL A 7 7.561 -2.979 6.067 1.00 0.31 O ATOM 82 CB VAL A 7 8.244 -0.516 3.830 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.307 0.409 3.270 1.00 0.64 C ATOM 84 CG2 VAL A 7 8.033 -1.694 2.893 1.00 0.61 C ATOM 0 H VAL A 7 9.742 -2.690 4.764 1.00 0.24 H new ATOM 0 HA VAL A 7 8.835 -0.101 5.851 1.00 0.25 H new ATOM 0 HB VAL A 7 7.303 0.028 3.907 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.019 0.731 2.269 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.408 1.281 3.916 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.259 -0.119 3.221 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.763 -1.327 1.903 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.953 -2.275 2.826 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.232 -2.325 3.277 1.00 0.61 H new ATOM 94 N LYS A 8 6.417 -1.053 6.213 1.00 0.26 N ATOM 95 CA LYS A 8 5.229 -1.666 6.782 1.00 0.28 C ATOM 96 C LYS A 8 4.002 -1.235 5.998 1.00 0.28 C ATOM 97 O LYS A 8 3.763 -0.047 5.830 1.00 0.38 O ATOM 98 CB LYS A 8 5.055 -1.257 8.250 1.00 0.35 C ATOM 99 CG LYS A 8 3.821 -1.868 8.907 1.00 0.61 C ATOM 100 CD LYS A 8 3.382 -1.091 10.142 1.00 0.86 C ATOM 101 CE LYS A 8 2.882 0.305 9.788 1.00 1.08 C ATOM 102 NZ LYS A 8 2.180 0.951 10.931 1.00 1.61 N ATOM 0 H LYS A 8 6.354 -0.041 6.102 1.00 0.26 H new ATOM 0 HA LYS A 8 5.345 -2.748 6.727 1.00 0.28 H new ATOM 0 HB2 LYS A 8 5.941 -1.556 8.810 1.00 0.35 H new ATOM 0 HB3 LYS A 8 4.990 -0.171 8.312 1.00 0.35 H new ATOM 0 HG2 LYS A 8 3.003 -1.894 8.187 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.033 -2.900 9.186 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.592 -1.640 10.655 1.00 0.86 H new ATOM 0 HD3 LYS A 8 4.218 -1.012 10.837 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.724 0.925 9.482 1.00 1.08 H new ATOM 0 HE3 LYS A 8 2.206 0.243 8.935 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 2.036 1.960 10.724 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.258 0.492 11.076 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 2.755 0.853 11.792 1.00 1.61 H new ATOM 116 N VAL A 9 3.234 -2.193 5.518 1.00 0.25 N ATOM 117 CA VAL A 9 1.976 -1.895 4.866 1.00 0.26 C ATOM 118 C VAL A 9 0.841 -2.320 5.789 1.00 0.23 C ATOM 119 O VAL A 9 0.868 -3.418 6.347 1.00 0.27 O ATOM 120 CB VAL A 9 1.860 -2.612 3.503 1.00 0.30 C ATOM 121 CG1 VAL A 9 3.027 -2.255 2.598 1.00 0.89 C ATOM 122 CG2 VAL A 9 1.747 -4.108 3.684 1.00 0.77 C ATOM 0 H VAL A 9 3.460 -3.186 5.568 1.00 0.25 H new ATOM 0 HA VAL A 9 1.921 -0.824 4.670 1.00 0.26 H new ATOM 0 HB VAL A 9 0.946 -2.266 3.020 1.00 0.30 H new ATOM 0 HG11 VAL A 9 2.920 -2.773 1.645 1.00 0.89 H new ATOM 0 HG12 VAL A 9 3.038 -1.179 2.426 1.00 0.89 H new ATOM 0 HG13 VAL A 9 3.961 -2.556 3.072 1.00 0.89 H new ATOM 0 HG21 VAL A 9 1.667 -4.587 2.708 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.632 -4.480 4.199 1.00 0.77 H new ATOM 0 HG23 VAL A 9 0.860 -4.337 4.275 1.00 0.77 H new ATOM 132 N GLU A 10 -0.123 -1.450 6.013 1.00 0.21 N ATOM 133 CA GLU A 10 -1.145 -1.742 7.000 1.00 0.23 C ATOM 134 C GLU A 10 -2.502 -1.163 6.592 1.00 0.25 C ATOM 135 O GLU A 10 -2.585 -0.304 5.709 1.00 0.26 O ATOM 136 CB GLU A 10 -0.686 -1.177 8.353 1.00 0.28 C ATOM 137 CG GLU A 10 -1.527 -1.572 9.555 1.00 0.37 C ATOM 138 CD GLU A 10 -0.891 -1.123 10.861 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.331 -0.011 10.901 1.00 1.08 O ATOM 140 OE2 GLU A 10 -0.981 -1.870 11.860 1.00 0.99 O ATOM 0 H GLU A 10 -0.221 -0.553 5.537 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.278 -2.821 7.076 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.340 -1.499 8.530 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.672 -0.089 8.285 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.520 -1.132 9.464 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.658 -2.654 9.567 1.00 0.37 H new ATOM 147 N PHE A 11 -3.561 -1.649 7.232 1.00 0.30 N ATOM 148 CA PHE A 11 -4.900 -1.111 7.024 1.00 0.34 C ATOM 149 C PHE A 11 -5.089 0.128 7.885 1.00 0.34 C ATOM 150 O PHE A 11 -4.429 0.281 8.915 1.00 0.74 O ATOM 151 CB PHE A 11 -5.978 -2.150 7.388 1.00 0.74 C ATOM 152 CG PHE A 11 -6.723 -1.827 8.664 1.00 2.12 C ATOM 153 CD1 PHE A 11 -6.157 -2.073 9.903 1.00 2.77 C ATOM 154 CD2 PHE A 11 -7.983 -1.248 8.616 1.00 2.89 C ATOM 155 CE1 PHE A 11 -6.832 -1.756 11.065 1.00 4.09 C ATOM 156 CE2 PHE A 11 -8.659 -0.927 9.776 1.00 4.21 C ATOM 157 CZ PHE A 11 -8.083 -1.181 11.002 1.00 4.80 C ATOM 0 H PHE A 11 -3.517 -2.417 7.901 1.00 0.30 H new ATOM 0 HA PHE A 11 -5.005 -0.856 5.969 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -6.693 -2.222 6.568 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -5.508 -3.128 7.489 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.175 -2.519 9.962 1.00 2.77 H new ATOM 0 HD2 PHE A 11 -8.441 -1.046 7.659 1.00 2.89 H new ATOM 0 HE1 PHE A 11 -6.379 -1.959 12.024 1.00 4.09 H new ATOM 0 HE2 PHE A 11 -9.639 -0.477 9.723 1.00 4.21 H new ATOM 0 HZ PHE A 11 -8.610 -0.930 11.911 1.00 4.80 H new ATOM 167 N GLY A 12 -5.985 1.008 7.473 1.00 0.23 N ATOM 168 CA GLY A 12 -6.309 2.148 8.296 1.00 0.39 C ATOM 169 C GLY A 12 -7.783 2.499 8.240 1.00 0.28 C ATOM 170 O GLY A 12 -8.487 2.411 9.244 1.00 0.34 O ATOM 0 H GLY A 12 -6.490 0.953 6.589 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.026 1.940 9.328 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -5.721 3.006 7.971 1.00 0.39 H new ATOM 174 N GLY A 13 -8.258 2.868 7.054 1.00 0.24 N ATOM 175 CA GLY A 13 -9.645 3.292 6.897 1.00 0.26 C ATOM 176 C GLY A 13 -10.614 2.127 6.819 1.00 0.29 C ATOM 177 O GLY A 13 -11.371 2.019 5.860 1.00 0.45 O ATOM 0 H GLY A 13 -7.708 2.882 6.195 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -9.921 3.932 7.735 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.735 3.894 5.993 1.00 0.26 H new ATOM 181 N GLY A 14 -10.580 1.245 7.814 1.00 0.28 N ATOM 182 CA GLY A 14 -11.445 0.076 7.805 1.00 0.35 C ATOM 183 C GLY A 14 -11.086 -0.865 6.676 1.00 0.36 C ATOM 184 O GLY A 14 -11.856 -1.753 6.318 1.00 0.41 O ATOM 0 H GLY A 14 -9.969 1.318 8.627 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.363 -0.447 8.758 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.484 0.390 7.703 1.00 0.35 H new ATOM 188 N ALA A 15 -9.890 -0.670 6.133 1.00 0.35 N ATOM 189 CA ALA A 15 -9.434 -1.400 4.963 1.00 0.39 C ATOM 190 C ALA A 15 -9.404 -2.904 5.205 1.00 0.39 C ATOM 191 O ALA A 15 -9.649 -3.676 4.291 1.00 0.42 O ATOM 192 CB ALA A 15 -8.063 -0.894 4.538 1.00 0.44 C ATOM 0 H ALA A 15 -9.211 -0.000 6.494 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.147 -1.221 4.158 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -7.727 -1.446 3.660 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.125 0.167 4.297 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.353 -1.040 5.352 1.00 0.44 H new ATOM 198 N GLU A 16 -9.139 -3.314 6.444 1.00 0.38 N ATOM 199 CA GLU A 16 -9.033 -4.739 6.781 1.00 0.38 C ATOM 200 C GLU A 16 -10.291 -5.508 6.397 1.00 0.36 C ATOM 201 O GLU A 16 -10.230 -6.696 6.098 1.00 0.37 O ATOM 202 CB GLU A 16 -8.746 -4.937 8.271 1.00 0.45 C ATOM 203 CG GLU A 16 -9.811 -4.346 9.185 1.00 0.57 C ATOM 204 CD GLU A 16 -9.657 -4.781 10.629 1.00 1.19 C ATOM 205 OE1 GLU A 16 -9.819 -5.981 10.917 1.00 1.54 O ATOM 206 OE2 GLU A 16 -9.371 -3.922 11.483 1.00 1.60 O ATOM 0 H GLU A 16 -8.993 -2.684 7.233 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.198 -5.135 6.203 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.656 -6.004 8.476 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.784 -4.484 8.510 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.765 -3.258 9.132 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.796 -4.642 8.825 1.00 0.57 H new ATOM 213 N LEU A 17 -11.429 -4.827 6.392 1.00 0.35 N ATOM 214 CA LEU A 17 -12.701 -5.453 6.046 1.00 0.37 C ATOM 215 C LEU A 17 -12.717 -5.863 4.571 1.00 0.36 C ATOM 216 O LEU A 17 -13.578 -6.625 4.129 1.00 0.41 O ATOM 217 CB LEU A 17 -13.851 -4.494 6.349 1.00 0.39 C ATOM 218 CG LEU A 17 -13.854 -3.937 7.775 1.00 0.41 C ATOM 219 CD1 LEU A 17 -15.026 -2.997 7.978 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.893 -5.068 8.792 1.00 0.83 C ATOM 0 H LEU A 17 -11.499 -3.836 6.625 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.825 -6.353 6.648 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.807 -3.661 5.647 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.794 -5.011 6.172 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.933 -3.374 7.924 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -15.011 -2.612 8.997 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.953 -2.167 7.275 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.958 -3.536 7.808 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.895 -4.652 9.799 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.796 -5.660 8.643 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -13.017 -5.703 8.663 1.00 0.83 H new ATOM 232 N LEU A 18 -11.748 -5.353 3.825 1.00 0.35 N ATOM 233 CA LEU A 18 -11.556 -5.722 2.430 1.00 0.39 C ATOM 234 C LEU A 18 -10.668 -6.952 2.342 1.00 0.42 C ATOM 235 O LEU A 18 -10.658 -7.662 1.336 1.00 0.49 O ATOM 236 CB LEU A 18 -10.881 -4.571 1.673 1.00 0.38 C ATOM 237 CG LEU A 18 -11.682 -3.269 1.594 1.00 0.42 C ATOM 238 CD1 LEU A 18 -10.793 -2.130 1.118 1.00 0.47 C ATOM 239 CD2 LEU A 18 -12.865 -3.436 0.656 1.00 0.49 C ATOM 0 H LEU A 18 -11.072 -4.671 4.170 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.529 -5.934 1.986 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -9.924 -4.359 2.150 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -10.665 -4.905 0.658 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.055 -3.029 2.590 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.376 -1.210 1.067 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -9.967 -1.997 1.816 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.398 -2.365 0.129 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.426 -2.503 0.609 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.506 -3.694 -0.340 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.513 -4.231 1.025 1.00 0.49 H new ATOM 251 N PHE A 19 -9.938 -7.202 3.420 1.00 0.39 N ATOM 252 CA PHE A 19 -8.861 -8.174 3.409 1.00 0.47 C ATOM 253 C PHE A 19 -9.036 -9.230 4.499 1.00 0.60 C ATOM 254 O PHE A 19 -8.056 -9.691 5.081 1.00 0.97 O ATOM 255 CB PHE A 19 -7.538 -7.444 3.611 1.00 0.45 C ATOM 256 CG PHE A 19 -7.353 -6.276 2.684 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.168 -6.476 1.329 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.366 -4.982 3.166 1.00 0.71 C ATOM 259 CE1 PHE A 19 -7.001 -5.409 0.472 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.200 -3.913 2.315 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.005 -4.116 0.981 1.00 0.59 C ATOM 0 H PHE A 19 -10.076 -6.739 4.319 1.00 0.39 H new ATOM 0 HA PHE A 19 -8.873 -8.689 2.448 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.479 -7.093 4.641 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.718 -8.147 3.466 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.154 -7.482 0.936 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -7.508 -4.807 4.222 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.868 -5.577 -0.587 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.224 -2.907 2.707 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.854 -3.274 0.322 1.00 0.59 H new ATOM 271 N ASP A 20 -10.291 -9.586 4.785 1.00 0.55 N ATOM 272 CA ASP A 20 -10.607 -10.686 5.710 1.00 0.69 C ATOM 273 C ASP A 20 -10.290 -10.314 7.168 1.00 0.72 C ATOM 274 O ASP A 20 -10.395 -11.136 8.079 1.00 1.07 O ATOM 275 CB ASP A 20 -9.850 -11.959 5.290 1.00 0.80 C ATOM 276 CG ASP A 20 -10.191 -13.167 6.138 1.00 1.16 C ATOM 277 OD1 ASP A 20 -11.338 -13.656 6.051 1.00 1.55 O ATOM 278 OD2 ASP A 20 -9.321 -13.625 6.907 1.00 1.28 O ATOM 0 H ASP A 20 -11.111 -9.128 4.389 1.00 0.55 H new ATOM 0 HA ASP A 20 -11.679 -10.877 5.655 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -10.077 -12.180 4.247 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -8.778 -11.772 5.351 1.00 0.80 H new ATOM 283 N GLY A 21 -9.936 -9.061 7.391 1.00 0.57 N ATOM 284 CA GLY A 21 -9.619 -8.614 8.732 1.00 0.59 C ATOM 285 C GLY A 21 -8.130 -8.646 9.010 1.00 0.59 C ATOM 286 O GLY A 21 -7.701 -8.540 10.159 1.00 0.79 O ATOM 0 H GLY A 21 -9.862 -8.344 6.669 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.991 -7.599 8.872 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -10.135 -9.245 9.455 1.00 0.59 H new ATOM 290 N VAL A 22 -7.337 -8.817 7.963 1.00 0.51 N ATOM 291 CA VAL A 22 -5.888 -8.785 8.099 1.00 0.53 C ATOM 292 C VAL A 22 -5.397 -7.358 7.912 1.00 0.45 C ATOM 293 O VAL A 22 -5.674 -6.725 6.893 1.00 0.47 O ATOM 294 CB VAL A 22 -5.198 -9.719 7.086 1.00 0.68 C ATOM 295 CG1 VAL A 22 -3.724 -9.879 7.421 1.00 1.02 C ATOM 296 CG2 VAL A 22 -5.887 -11.070 7.059 1.00 1.41 C ATOM 0 H VAL A 22 -7.671 -8.979 7.013 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.631 -9.140 9.097 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.276 -9.270 6.096 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -3.255 -10.542 6.694 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -3.236 -8.905 7.391 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -3.622 -10.305 8.419 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -5.388 -11.718 6.339 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -5.839 -11.523 8.049 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -6.930 -10.941 6.769 1.00 1.41 H new ATOM 306 N LYS A 23 -4.676 -6.851 8.899 1.00 0.48 N ATOM 307 CA LYS A 23 -4.352 -5.433 8.931 1.00 0.52 C ATOM 308 C LYS A 23 -2.920 -5.160 8.478 1.00 0.40 C ATOM 309 O LYS A 23 -2.674 -4.786 7.329 1.00 0.37 O ATOM 310 CB LYS A 23 -4.545 -4.873 10.343 1.00 0.75 C ATOM 311 CG LYS A 23 -5.678 -5.524 11.127 1.00 0.85 C ATOM 312 CD LYS A 23 -6.042 -4.718 12.366 1.00 1.06 C ATOM 313 CE LYS A 23 -4.813 -4.294 13.158 1.00 1.11 C ATOM 314 NZ LYS A 23 -4.097 -5.454 13.753 1.00 2.07 N ATOM 0 H LYS A 23 -4.307 -7.393 9.681 1.00 0.48 H new ATOM 0 HA LYS A 23 -5.030 -4.938 8.236 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -3.616 -4.996 10.900 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.736 -3.802 10.273 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.554 -5.622 10.486 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -5.384 -6.532 11.422 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.604 -3.833 12.069 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -6.696 -5.312 13.004 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.134 -3.747 12.505 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -5.113 -3.609 13.951 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -3.268 -5.116 14.282 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -4.735 -5.963 14.397 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -3.786 -6.096 12.996 1.00 2.07 H new ATOM 328 N LYS A 24 -1.986 -5.339 9.400 1.00 0.38 N ATOM 329 CA LYS A 24 -0.590 -5.010 9.170 1.00 0.33 C ATOM 330 C LYS A 24 0.154 -6.141 8.480 1.00 0.34 C ATOM 331 O LYS A 24 -0.100 -7.322 8.724 1.00 0.47 O ATOM 332 CB LYS A 24 0.077 -4.676 10.505 1.00 0.43 C ATOM 333 CG LYS A 24 1.544 -4.299 10.397 1.00 0.49 C ATOM 334 CD LYS A 24 2.113 -3.934 11.757 1.00 0.66 C ATOM 335 CE LYS A 24 1.955 -5.074 12.747 1.00 1.04 C ATOM 336 NZ LYS A 24 2.379 -4.682 14.115 1.00 1.59 N ATOM 0 H LYS A 24 -2.176 -5.717 10.328 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.550 -4.146 8.507 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.464 -3.852 10.971 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.017 -5.535 11.169 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.107 -5.131 9.975 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.658 -3.458 9.713 1.00 0.49 H new ATOM 0 HD2 LYS A 24 3.169 -3.682 11.656 1.00 0.66 H new ATOM 0 HD3 LYS A 24 1.608 -3.046 12.138 1.00 0.66 H new ATOM 0 HE2 LYS A 24 0.914 -5.395 12.768 1.00 1.04 H new ATOM 0 HE3 LYS A 24 2.545 -5.928 12.415 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 2.256 -5.488 14.761 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 3.380 -4.400 14.101 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 1.799 -3.884 14.443 1.00 1.59 H new ATOM 350 N HIS A 25 1.057 -5.750 7.602 1.00 0.29 N ATOM 351 CA HIS A 25 1.919 -6.668 6.887 1.00 0.34 C ATOM 352 C HIS A 25 3.335 -6.117 6.863 1.00 0.34 C ATOM 353 O HIS A 25 3.568 -5.012 6.367 1.00 0.43 O ATOM 354 CB HIS A 25 1.423 -6.849 5.456 1.00 0.42 C ATOM 355 CG HIS A 25 0.196 -7.690 5.331 1.00 0.69 C ATOM 356 ND1 HIS A 25 0.056 -9.013 5.097 1.00 1.46 N flip ATOM 357 CD2 HIS A 25 -1.081 -7.178 5.421 1.00 1.39 C flip ATOM 358 CE1 HIS A 25 -1.288 -9.274 5.048 1.00 1.58 C flip ATOM 359 NE2 HIS A 25 -1.953 -8.152 5.245 1.00 1.44 N flip ATOM 0 H HIS A 25 1.214 -4.771 7.363 1.00 0.29 H new ATOM 0 HA HIS A 25 1.906 -7.633 7.393 1.00 0.34 H new ATOM 0 HB2 HIS A 25 1.221 -5.867 5.027 1.00 0.42 H new ATOM 0 HB3 HIS A 25 2.219 -7.299 4.862 1.00 0.42 H new ATOM 0 HD2 HIS A 25 -1.328 -6.143 5.606 1.00 1.39 H new ATOM 0 HE1 HIS A 25 -1.732 -10.243 4.876 1.00 1.58 H new ATOM 0 HE2 HIS A 25 -2.968 -8.054 5.259 1.00 1.44 H new ATOM 368 N GLN A 26 4.274 -6.866 7.409 1.00 0.36 N ATOM 369 CA GLN A 26 5.660 -6.439 7.413 1.00 0.38 C ATOM 370 C GLN A 26 6.342 -6.899 6.132 1.00 0.33 C ATOM 371 O GLN A 26 6.385 -8.094 5.836 1.00 0.47 O ATOM 372 CB GLN A 26 6.393 -6.990 8.635 1.00 0.54 C ATOM 373 CG GLN A 26 7.823 -6.493 8.752 1.00 0.67 C ATOM 374 CD GLN A 26 8.567 -7.120 9.914 1.00 1.12 C ATOM 375 OE1 GLN A 26 8.291 -8.254 10.308 1.00 1.84 O ATOM 376 NE2 GLN A 26 9.508 -6.384 10.476 1.00 1.59 N ATOM 0 H GLN A 26 4.104 -7.768 7.853 1.00 0.36 H new ATOM 0 HA GLN A 26 5.692 -5.351 7.463 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.844 -6.712 9.535 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.397 -8.079 8.587 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.355 -6.709 7.826 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.818 -5.410 8.871 1.00 0.67 H new ATOM 0 HE21 GLN A 26 9.706 -5.449 10.119 1.00 1.59 H new ATOM 0 HE22 GLN A 26 10.037 -6.750 11.267 1.00 1.59 H new ATOM 385 N VAL A 27 6.861 -5.952 5.373 1.00 0.29 N ATOM 386 CA VAL A 27 7.486 -6.255 4.100 1.00 0.29 C ATOM 387 C VAL A 27 8.872 -5.612 4.023 1.00 0.28 C ATOM 388 O VAL A 27 9.022 -4.397 4.149 1.00 0.31 O ATOM 389 CB VAL A 27 6.576 -5.829 2.913 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.041 -4.408 3.083 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.304 -5.981 1.586 1.00 0.44 C ATOM 0 H VAL A 27 6.862 -4.962 5.618 1.00 0.29 H new ATOM 0 HA VAL A 27 7.618 -7.334 4.023 1.00 0.29 H new ATOM 0 HB VAL A 27 5.716 -6.499 2.910 1.00 0.35 H new ATOM 0 HG11 VAL A 27 5.411 -4.152 2.231 1.00 0.44 H new ATOM 0 HG12 VAL A 27 5.455 -4.347 4.000 1.00 0.44 H new ATOM 0 HG13 VAL A 27 6.876 -3.709 3.139 1.00 0.44 H new ATOM 0 HG21 VAL A 27 6.645 -5.676 0.773 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.195 -5.353 1.586 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.594 -7.023 1.447 1.00 0.44 H new ATOM 401 N ALA A 28 9.892 -6.441 3.855 1.00 0.31 N ATOM 402 CA ALA A 28 11.269 -5.981 3.914 1.00 0.33 C ATOM 403 C ALA A 28 11.928 -6.019 2.541 1.00 0.28 C ATOM 404 O ALA A 28 11.798 -7.006 1.817 1.00 0.29 O ATOM 405 CB ALA A 28 12.049 -6.840 4.893 1.00 0.41 C ATOM 0 H ALA A 28 9.790 -7.440 3.676 1.00 0.31 H new ATOM 0 HA ALA A 28 11.271 -4.945 4.253 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.082 -6.495 4.937 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.598 -6.764 5.883 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.027 -7.879 4.563 1.00 0.41 H new ATOM 411 N LEU A 29 12.642 -4.948 2.189 1.00 0.28 N ATOM 412 CA LEU A 29 13.312 -4.871 0.895 1.00 0.28 C ATOM 413 C LEU A 29 14.413 -5.924 0.792 1.00 0.32 C ATOM 414 O LEU A 29 15.238 -6.063 1.694 1.00 0.36 O ATOM 415 CB LEU A 29 13.902 -3.472 0.652 1.00 0.35 C ATOM 416 CG LEU A 29 12.887 -2.335 0.485 1.00 0.38 C ATOM 417 CD1 LEU A 29 13.577 -1.088 -0.026 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.777 -2.739 -0.461 1.00 1.04 C ATOM 0 H LEU A 29 12.769 -4.127 2.781 1.00 0.28 H new ATOM 0 HA LEU A 29 12.563 -5.065 0.128 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.559 -3.226 1.486 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.524 -3.512 -0.242 1.00 0.35 H new ATOM 0 HG LEU A 29 12.448 -2.124 1.460 1.00 0.38 H new ATOM 0 HD11 LEU A 29 12.845 -0.288 -0.140 1.00 1.13 H new ATOM 0 HD12 LEU A 29 14.344 -0.779 0.684 1.00 1.13 H new ATOM 0 HD13 LEU A 29 14.039 -1.297 -0.991 1.00 1.13 H new ATOM 0 HD21 LEU A 29 11.069 -1.917 -0.564 1.00 1.04 H new ATOM 0 HD22 LEU A 29 12.200 -2.978 -1.437 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.262 -3.614 -0.065 1.00 1.04 H new ATOM 430 N PRO A 30 14.433 -6.674 -0.321 1.00 0.38 N ATOM 431 CA PRO A 30 15.411 -7.750 -0.558 1.00 0.53 C ATOM 432 C PRO A 30 16.844 -7.238 -0.695 1.00 0.76 C ATOM 433 O PRO A 30 17.801 -7.990 -0.519 1.00 1.64 O ATOM 434 CB PRO A 30 14.953 -8.364 -1.889 1.00 0.52 C ATOM 435 CG PRO A 30 13.541 -7.920 -2.054 1.00 0.51 C ATOM 436 CD PRO A 30 13.480 -6.560 -1.433 1.00 0.41 C ATOM 0 HA PRO A 30 15.436 -8.449 0.278 1.00 0.53 H new ATOM 0 HB2 PRO A 30 15.574 -8.020 -2.716 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.025 -9.451 -1.867 1.00 0.52 H new ATOM 0 HG2 PRO A 30 13.260 -7.885 -3.107 1.00 0.51 H new ATOM 0 HG3 PRO A 30 12.852 -8.608 -1.563 1.00 0.51 H new ATOM 0 HD2 PRO A 30 13.769 -5.779 -2.137 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.476 -6.318 -1.084 1.00 0.41 H new ATOM 483 N GLU A 34 14.838 -3.679 -5.135 1.00 0.54 N ATOM 484 CA GLU A 34 13.866 -3.268 -4.133 1.00 0.56 C ATOM 485 C GLU A 34 12.512 -3.070 -4.797 1.00 0.48 C ATOM 486 O GLU A 34 12.038 -1.948 -4.963 1.00 0.58 O ATOM 487 CB GLU A 34 14.341 -2.009 -3.388 1.00 0.72 C ATOM 488 CG GLU A 34 15.775 -2.156 -2.884 1.00 0.96 C ATOM 489 CD GLU A 34 16.365 -0.879 -2.323 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.652 0.040 -3.117 1.00 2.31 O ATOM 491 OE2 GLU A 34 16.595 -0.811 -1.100 1.00 1.97 O ATOM 0 HA GLU A 34 13.764 -4.050 -3.381 1.00 0.56 H new ATOM 0 HB2 GLU A 34 14.276 -1.147 -4.052 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.678 -1.813 -2.545 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.801 -2.926 -2.113 1.00 0.96 H new ATOM 0 HG3 GLU A 34 16.403 -2.505 -3.704 1.00 0.96 H new ATOM 498 N PRO A 35 11.879 -4.189 -5.193 1.00 0.41 N ATOM 499 CA PRO A 35 10.678 -4.177 -6.009 1.00 0.40 C ATOM 500 C PRO A 35 9.413 -4.132 -5.174 1.00 0.35 C ATOM 501 O PRO A 35 8.328 -4.467 -5.644 1.00 0.39 O ATOM 502 CB PRO A 35 10.773 -5.500 -6.759 1.00 0.48 C ATOM 503 CG PRO A 35 11.519 -6.423 -5.845 1.00 0.50 C ATOM 504 CD PRO A 35 12.273 -5.567 -4.855 1.00 0.46 C ATOM 0 HA PRO A 35 10.621 -3.299 -6.652 1.00 0.40 H new ATOM 0 HB2 PRO A 35 9.783 -5.892 -6.991 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.297 -5.377 -7.707 1.00 0.48 H new ATOM 0 HG2 PRO A 35 10.830 -7.091 -5.328 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.207 -7.051 -6.411 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.006 -5.817 -3.828 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.350 -5.707 -4.947 1.00 0.46 H new ATOM 512 N TRP A 36 9.555 -3.700 -3.939 1.00 0.30 N ATOM 513 CA TRP A 36 8.424 -3.589 -3.045 1.00 0.27 C ATOM 514 C TRP A 36 7.791 -2.217 -3.177 1.00 0.24 C ATOM 515 O TRP A 36 7.246 -1.671 -2.215 1.00 0.25 O ATOM 516 CB TRP A 36 8.853 -3.864 -1.603 1.00 0.28 C ATOM 517 CG TRP A 36 9.249 -5.296 -1.365 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.111 -5.744 -0.415 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.806 -6.464 -2.085 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.230 -7.110 -0.485 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.441 -7.575 -1.499 1.00 0.34 C ATOM 522 CE3 TRP A 36 7.933 -6.682 -3.162 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.234 -8.878 -1.950 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.730 -7.974 -3.607 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.377 -9.058 -3.001 1.00 0.42 C ATOM 0 H TRP A 36 10.447 -3.419 -3.531 1.00 0.30 H new ATOM 0 HA TRP A 36 7.680 -4.337 -3.319 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.692 -3.215 -1.350 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.035 -3.604 -0.931 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.629 -5.115 0.294 1.00 0.32 H new ATOM 0 HE1 TRP A 36 10.814 -7.685 0.122 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.428 -5.853 -3.635 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.733 -9.716 -1.486 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.061 -8.151 -4.436 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.196 -10.056 -3.371 1.00 0.42 H new ATOM 536 N ASP A 37 7.862 -1.673 -4.389 1.00 0.24 N ATOM 537 CA ASP A 37 7.275 -0.379 -4.693 1.00 0.21 C ATOM 538 C ASP A 37 5.795 -0.412 -4.370 1.00 0.21 C ATOM 539 O ASP A 37 5.179 -1.482 -4.357 1.00 0.24 O ATOM 540 CB ASP A 37 7.441 -0.020 -6.171 1.00 0.25 C ATOM 541 CG ASP A 37 8.769 -0.445 -6.754 1.00 0.82 C ATOM 542 OD1 ASP A 37 8.987 -1.658 -6.931 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.621 0.434 -6.991 1.00 1.21 O ATOM 0 H ASP A 37 8.326 -2.117 -5.181 1.00 0.24 H new ATOM 0 HA ASP A 37 7.789 0.371 -4.091 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.638 -0.486 -6.741 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.331 1.058 -6.289 1.00 0.25 H new ATOM 548 N ILE A 38 5.222 0.756 -4.149 1.00 0.20 N ATOM 549 CA ILE A 38 3.831 0.852 -3.736 1.00 0.20 C ATOM 550 C ILE A 38 2.917 0.185 -4.758 1.00 0.20 C ATOM 551 O ILE A 38 1.956 -0.476 -4.385 1.00 0.23 O ATOM 552 CB ILE A 38 3.399 2.325 -3.529 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.494 3.087 -2.771 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.077 2.394 -2.775 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.894 2.462 -1.446 1.00 0.24 C ATOM 0 H ILE A 38 5.697 1.653 -4.248 1.00 0.20 H new ATOM 0 HA ILE A 38 3.740 0.332 -2.782 1.00 0.20 H new ATOM 0 HB ILE A 38 3.257 2.791 -4.504 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.377 3.157 -3.407 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.151 4.105 -2.589 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.790 3.437 -2.639 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.306 1.876 -3.345 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.189 1.918 -1.801 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.672 3.066 -0.979 1.00 0.24 H new ATOM 0 HD12 ILE A 38 4.026 2.417 -0.788 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.271 1.454 -1.618 1.00 0.24 H new ATOM 567 N ARG A 39 3.244 0.332 -6.043 1.00 0.19 N ATOM 568 CA ARG A 39 2.444 -0.274 -7.105 1.00 0.20 C ATOM 569 C ARG A 39 2.431 -1.804 -6.969 1.00 0.19 C ATOM 570 O ARG A 39 1.397 -2.438 -7.146 1.00 0.25 O ATOM 571 CB ARG A 39 2.958 0.120 -8.505 1.00 0.31 C ATOM 572 CG ARG A 39 4.101 -0.743 -9.021 1.00 0.99 C ATOM 573 CD ARG A 39 5.454 -0.080 -8.846 1.00 1.11 C ATOM 574 NE ARG A 39 5.778 0.799 -9.970 1.00 1.63 N ATOM 575 CZ ARG A 39 6.994 0.912 -10.506 1.00 2.06 C ATOM 576 NH1 ARG A 39 8.018 0.248 -9.986 1.00 2.03 N ATOM 577 NH2 ARG A 39 7.183 1.688 -11.562 1.00 2.62 N ATOM 0 H ARG A 39 4.052 0.862 -6.371 1.00 0.19 H new ATOM 0 HA ARG A 39 1.428 0.106 -6.998 1.00 0.20 H new ATOM 0 HB2 ARG A 39 2.130 0.065 -9.212 1.00 0.31 H new ATOM 0 HB3 ARG A 39 3.286 1.159 -8.479 1.00 0.31 H new ATOM 0 HG2 ARG A 39 4.097 -1.698 -8.495 1.00 0.99 H new ATOM 0 HG3 ARG A 39 3.940 -0.960 -10.077 1.00 0.99 H new ATOM 0 HD2 ARG A 39 5.459 0.496 -7.921 1.00 1.11 H new ATOM 0 HD3 ARG A 39 6.224 -0.845 -8.749 1.00 1.11 H new ATOM 0 HE ARG A 39 5.026 1.361 -10.369 1.00 1.63 H new ATOM 0 HH11 ARG A 39 7.877 -0.352 -9.173 1.00 2.03 H new ATOM 0 HH12 ARG A 39 8.946 0.337 -10.399 1.00 2.03 H new ATOM 0 HH21 ARG A 39 6.398 2.200 -11.966 1.00 2.62 H new ATOM 0 HH22 ARG A 39 8.113 1.774 -11.972 1.00 2.62 H new ATOM 591 N ASN A 40 3.585 -2.386 -6.625 1.00 0.17 N ATOM 592 CA ASN A 40 3.729 -3.839 -6.553 1.00 0.18 C ATOM 593 C ASN A 40 3.050 -4.394 -5.317 1.00 0.18 C ATOM 594 O ASN A 40 2.362 -5.412 -5.382 1.00 0.22 O ATOM 595 CB ASN A 40 5.207 -4.211 -6.570 1.00 0.22 C ATOM 596 CG ASN A 40 5.811 -4.020 -7.944 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.233 -4.428 -8.951 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.943 -3.348 -8.001 1.00 0.59 N ATOM 0 H ASN A 40 4.433 -1.869 -6.392 1.00 0.17 H new ATOM 0 HA ASN A 40 3.242 -4.281 -7.422 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.746 -3.599 -5.846 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.326 -5.249 -6.260 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.373 -3.148 -8.904 1.00 0.59 H new ATOM 0 HD22 ASN A 40 7.390 -3.028 -7.142 1.00 0.59 H new ATOM 605 N LEU A 41 3.229 -3.714 -4.197 1.00 0.18 N ATOM 606 CA LEU A 41 2.540 -4.079 -2.963 1.00 0.19 C ATOM 607 C LEU A 41 1.046 -3.963 -3.154 1.00 0.19 C ATOM 608 O LEU A 41 0.263 -4.725 -2.597 1.00 0.21 O ATOM 609 CB LEU A 41 2.983 -3.171 -1.821 1.00 0.21 C ATOM 610 CG LEU A 41 4.162 -3.693 -1.016 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.734 -4.899 -0.200 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.306 -4.070 -1.933 1.00 0.29 C ATOM 0 H LEU A 41 3.845 -2.905 -4.113 1.00 0.18 H new ATOM 0 HA LEU A 41 2.793 -5.110 -2.714 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.244 -2.195 -2.231 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.139 -3.019 -1.148 1.00 0.21 H new ATOM 0 HG LEU A 41 4.502 -2.905 -0.344 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.583 -5.269 0.375 1.00 0.32 H new ATOM 0 HD12 LEU A 41 2.932 -4.612 0.480 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.379 -5.683 -0.869 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.141 -4.442 -1.339 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.978 -4.847 -2.624 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.624 -3.193 -2.497 1.00 0.29 H new ATOM 624 N LEU A 42 0.676 -3.003 -3.965 1.00 0.19 N ATOM 625 CA LEU A 42 -0.704 -2.742 -4.288 1.00 0.23 C ATOM 626 C LEU A 42 -1.287 -3.892 -5.102 1.00 0.21 C ATOM 627 O LEU A 42 -2.473 -4.209 -4.999 1.00 0.26 O ATOM 628 CB LEU A 42 -0.744 -1.437 -5.060 1.00 0.30 C ATOM 629 CG LEU A 42 -2.084 -0.755 -5.169 1.00 0.47 C ATOM 630 CD1 LEU A 42 -1.868 0.738 -5.092 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.760 -1.136 -6.472 1.00 0.82 C ATOM 0 H LEU A 42 1.333 -2.373 -4.425 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.309 -2.659 -3.385 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.046 -0.743 -4.591 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.376 -1.627 -6.068 1.00 0.30 H new ATOM 0 HG LEU A 42 -2.734 -1.071 -4.353 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -2.828 1.249 -5.169 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -1.399 0.989 -4.141 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -1.221 1.055 -5.910 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.727 -0.637 -6.540 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -2.134 -0.829 -7.310 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.905 -2.216 -6.504 1.00 0.82 H new ATOM 643 N VAL A 43 -0.439 -4.515 -5.905 1.00 0.20 N ATOM 644 CA VAL A 43 -0.824 -5.701 -6.652 1.00 0.22 C ATOM 645 C VAL A 43 -0.913 -6.882 -5.711 1.00 0.22 C ATOM 646 O VAL A 43 -1.886 -7.629 -5.728 1.00 0.24 O ATOM 647 CB VAL A 43 0.188 -6.036 -7.764 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.246 -7.275 -8.533 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.369 -4.852 -8.693 1.00 0.32 C ATOM 0 H VAL A 43 0.525 -4.217 -6.056 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.789 -5.497 -7.115 1.00 0.22 H new ATOM 0 HB VAL A 43 1.151 -6.252 -7.300 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.483 -7.493 -9.313 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.312 -8.122 -7.851 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.221 -7.098 -8.987 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.087 -5.107 -9.472 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.587 -4.599 -9.150 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.737 -3.997 -8.126 1.00 0.32 H new ATOM 659 N TRP A 44 0.108 -7.021 -4.880 1.00 0.23 N ATOM 660 CA TRP A 44 0.174 -8.085 -3.893 1.00 0.27 C ATOM 661 C TRP A 44 -1.079 -8.065 -3.022 1.00 0.28 C ATOM 662 O TRP A 44 -1.726 -9.093 -2.803 1.00 0.33 O ATOM 663 CB TRP A 44 1.419 -7.882 -3.022 1.00 0.31 C ATOM 664 CG TRP A 44 1.730 -9.021 -2.099 1.00 0.41 C ATOM 665 CD1 TRP A 44 1.099 -9.337 -0.929 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.781 -9.977 -2.259 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.684 -10.447 -0.364 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.721 -10.855 -1.161 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.762 -10.178 -3.231 1.00 0.65 C ATOM 670 CZ2 TRP A 44 3.610 -11.917 -1.009 1.00 0.76 C ATOM 671 CZ3 TRP A 44 4.644 -11.230 -3.079 1.00 0.81 C ATOM 672 CH2 TRP A 44 4.563 -12.087 -1.975 1.00 0.85 C ATOM 0 H TRP A 44 0.915 -6.398 -4.872 1.00 0.23 H new ATOM 0 HA TRP A 44 0.234 -9.049 -4.398 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.277 -7.715 -3.672 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.287 -6.977 -2.429 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.264 -8.795 -0.509 1.00 0.45 H new ATOM 0 HE1 TRP A 44 1.393 -10.893 0.506 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.830 -9.523 -4.087 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 3.549 -12.581 -0.160 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 5.409 -11.394 -3.824 1.00 0.81 H new ATOM 0 HH2 TRP A 44 5.268 -12.900 -1.884 1.00 0.85 H new ATOM 683 N ILE A 45 -1.430 -6.871 -2.558 1.00 0.26 N ATOM 684 CA ILE A 45 -2.572 -6.692 -1.683 1.00 0.29 C ATOM 685 C ILE A 45 -3.888 -6.854 -2.449 1.00 0.31 C ATOM 686 O ILE A 45 -4.867 -7.360 -1.911 1.00 0.37 O ATOM 687 CB ILE A 45 -2.500 -5.320 -0.969 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.358 -5.334 0.056 1.00 0.36 C ATOM 689 CG2 ILE A 45 -3.819 -4.980 -0.295 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.195 -4.033 0.816 1.00 0.47 C ATOM 0 H ILE A 45 -0.932 -6.008 -2.778 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.542 -7.471 -0.921 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.305 -4.550 -1.715 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.533 -6.140 0.769 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.424 -5.561 -0.459 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -3.737 -4.011 0.198 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.610 -4.941 -1.043 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.057 -5.744 0.445 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.368 -4.124 1.520 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -0.987 -3.225 0.114 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.113 -3.813 1.361 1.00 0.47 H new ATOM 702 N LYS A 46 -3.909 -6.460 -3.715 1.00 0.29 N ATOM 703 CA LYS A 46 -5.115 -6.625 -4.519 1.00 0.35 C ATOM 704 C LYS A 46 -5.339 -8.095 -4.871 1.00 0.39 C ATOM 705 O LYS A 46 -6.403 -8.647 -4.606 1.00 0.44 O ATOM 706 CB LYS A 46 -5.053 -5.784 -5.800 1.00 0.39 C ATOM 707 CG LYS A 46 -6.304 -5.913 -6.664 1.00 0.91 C ATOM 708 CD LYS A 46 -6.220 -5.101 -7.954 1.00 0.91 C ATOM 709 CE LYS A 46 -6.406 -3.604 -7.719 1.00 1.26 C ATOM 710 NZ LYS A 46 -5.201 -2.964 -7.128 1.00 1.93 N ATOM 0 H LYS A 46 -3.121 -6.032 -4.202 1.00 0.29 H new ATOM 0 HA LYS A 46 -5.955 -6.275 -3.919 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.910 -4.737 -5.533 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.183 -6.086 -6.384 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.463 -6.963 -6.911 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.171 -5.586 -6.090 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.252 -5.274 -8.425 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -6.981 -5.453 -8.651 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -6.644 -3.118 -8.665 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -7.258 -3.447 -7.057 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -5.071 -2.019 -7.543 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -5.324 -2.876 -6.099 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -4.364 -3.548 -7.328 1.00 1.93 H new ATOM 724 N LYS A 47 -4.327 -8.721 -5.454 1.00 0.41 N ATOM 725 CA LYS A 47 -4.451 -10.094 -5.941 1.00 0.52 C ATOM 726 C LYS A 47 -4.770 -11.074 -4.815 1.00 0.57 C ATOM 727 O LYS A 47 -5.783 -11.774 -4.855 1.00 0.78 O ATOM 728 CB LYS A 47 -3.162 -10.541 -6.641 1.00 0.65 C ATOM 729 CG LYS A 47 -2.794 -9.717 -7.864 1.00 1.31 C ATOM 730 CD LYS A 47 -3.872 -9.775 -8.931 1.00 1.66 C ATOM 731 CE LYS A 47 -3.443 -9.041 -10.190 1.00 2.33 C ATOM 732 NZ LYS A 47 -4.506 -9.053 -11.227 1.00 2.96 N ATOM 0 H LYS A 47 -3.409 -8.303 -5.603 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.278 -10.100 -6.650 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.340 -10.495 -5.926 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.268 -11.584 -6.939 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -2.632 -8.681 -7.568 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -1.854 -10.081 -8.278 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -4.093 -10.815 -9.171 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -4.792 -9.334 -8.546 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -3.190 -8.010 -9.941 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -2.540 -9.503 -10.590 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -4.174 -8.542 -12.070 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -4.730 -10.036 -11.483 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -5.359 -8.589 -10.855 1.00 2.96 H new ATOM 746 N ASN A 48 -3.913 -11.110 -3.808 1.00 0.50 N ATOM 747 CA ASN A 48 -3.995 -12.134 -2.772 1.00 0.58 C ATOM 748 C ASN A 48 -4.869 -11.704 -1.601 1.00 0.58 C ATOM 749 O ASN A 48 -5.629 -12.510 -1.056 1.00 0.77 O ATOM 750 CB ASN A 48 -2.585 -12.478 -2.276 1.00 0.61 C ATOM 751 CG ASN A 48 -2.580 -13.463 -1.118 1.00 1.41 C ATOM 752 OD1 ASN A 48 -2.562 -13.070 0.052 1.00 2.21 O ATOM 753 ND2 ASN A 48 -2.595 -14.747 -1.434 1.00 2.09 N ATOM 0 H ASN A 48 -3.151 -10.443 -3.683 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.460 -13.015 -3.215 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -2.008 -12.895 -3.102 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.082 -11.562 -1.967 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -2.592 -15.453 -0.698 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -2.610 -15.031 -2.414 1.00 2.09 H new ATOM 760 N LEU A 49 -4.781 -10.438 -1.225 1.00 0.42 N ATOM 761 CA LEU A 49 -5.384 -9.985 0.020 1.00 0.44 C ATOM 762 C LEU A 49 -6.819 -9.479 -0.179 1.00 0.39 C ATOM 763 O LEU A 49 -7.663 -9.668 0.699 1.00 0.39 O ATOM 764 CB LEU A 49 -4.511 -8.901 0.659 1.00 0.50 C ATOM 765 CG LEU A 49 -4.812 -8.602 2.125 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.554 -9.828 2.986 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.984 -7.421 2.608 1.00 1.10 C ATOM 0 H LEU A 49 -4.303 -9.711 -1.758 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.442 -10.843 0.690 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.467 -9.201 0.573 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.626 -7.981 0.086 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.866 -8.341 2.214 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.774 -9.594 4.028 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -5.193 -10.646 2.655 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.509 -10.124 2.894 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -4.211 -7.221 3.655 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.924 -7.653 2.504 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.223 -6.541 2.011 1.00 1.10 H new ATOM 779 N LEU A 50 -7.102 -8.850 -1.321 1.00 0.39 N ATOM 780 CA LEU A 50 -8.431 -8.296 -1.572 1.00 0.39 C ATOM 781 C LEU A 50 -9.436 -9.436 -1.742 1.00 0.41 C ATOM 782 O LEU A 50 -9.293 -10.277 -2.630 1.00 0.50 O ATOM 783 CB LEU A 50 -8.407 -7.399 -2.823 1.00 0.47 C ATOM 784 CG LEU A 50 -9.463 -6.280 -2.888 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.869 -6.835 -2.828 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.260 -5.281 -1.767 1.00 0.62 C ATOM 0 H LEU A 50 -6.434 -8.713 -2.080 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.733 -7.684 -0.722 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.420 -6.941 -2.895 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -8.529 -8.034 -3.700 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.335 -5.774 -3.845 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.586 -6.015 -2.876 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.030 -7.509 -3.670 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -11.005 -7.381 -1.895 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -10.018 -4.500 -1.834 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.346 -5.789 -0.807 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.270 -4.834 -1.853 1.00 0.62 H new ATOM 798 N LYS A 51 -10.439 -9.470 -0.874 1.00 0.40 N ATOM 799 CA LYS A 51 -11.415 -10.551 -0.877 1.00 0.47 C ATOM 800 C LYS A 51 -12.555 -10.290 -1.857 1.00 0.52 C ATOM 801 O LYS A 51 -12.909 -11.164 -2.649 1.00 0.63 O ATOM 802 CB LYS A 51 -11.981 -10.742 0.529 1.00 0.52 C ATOM 803 CG LYS A 51 -10.913 -10.912 1.598 1.00 0.57 C ATOM 804 CD LYS A 51 -10.019 -12.110 1.325 1.00 1.08 C ATOM 805 CE LYS A 51 -10.803 -13.412 1.293 1.00 1.81 C ATOM 806 NZ LYS A 51 -9.914 -14.580 1.053 1.00 2.26 N ATOM 0 H LYS A 51 -10.598 -8.761 -0.159 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.901 -11.457 -1.199 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.602 -9.882 0.781 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.631 -11.617 0.534 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -10.304 -10.009 1.649 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -11.390 -11.030 2.571 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -9.508 -11.971 0.372 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -9.249 -12.170 2.094 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -11.330 -13.543 2.238 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -11.560 -13.363 0.510 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -10.482 -15.451 1.037 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -9.430 -14.466 0.140 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -9.208 -14.641 1.814 1.00 2.26 H new ATOM 820 N GLU A 52 -13.130 -9.096 -1.798 1.00 0.52 N ATOM 821 CA GLU A 52 -14.299 -8.778 -2.611 1.00 0.59 C ATOM 822 C GLU A 52 -13.902 -8.117 -3.932 1.00 0.58 C ATOM 823 O GLU A 52 -12.874 -8.449 -4.521 1.00 0.72 O ATOM 824 CB GLU A 52 -15.271 -7.887 -1.825 1.00 0.66 C ATOM 825 CG GLU A 52 -14.698 -6.553 -1.369 1.00 0.64 C ATOM 826 CD GLU A 52 -15.755 -5.685 -0.713 1.00 0.90 C ATOM 827 OE1 GLU A 52 -16.731 -5.308 -1.392 1.00 1.15 O ATOM 828 OE2 GLU A 52 -15.602 -5.355 0.483 1.00 1.16 O ATOM 0 H GLU A 52 -12.809 -8.335 -1.200 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.803 -9.714 -2.853 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -16.147 -7.696 -2.445 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.615 -8.436 -0.948 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.883 -6.728 -0.667 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.274 -6.027 -2.225 1.00 0.64 H new ATOM 835 N ARG A 53 -14.734 -7.197 -4.409 1.00 0.65 N ATOM 836 CA ARG A 53 -14.485 -6.527 -5.674 1.00 0.68 C ATOM 837 C ARG A 53 -13.483 -5.391 -5.493 1.00 0.59 C ATOM 838 O ARG A 53 -13.675 -4.517 -4.647 1.00 0.65 O ATOM 839 CB ARG A 53 -15.783 -5.962 -6.270 1.00 0.87 C ATOM 840 CG ARG A 53 -16.796 -7.010 -6.705 1.00 1.34 C ATOM 841 CD ARG A 53 -17.531 -7.618 -5.521 1.00 1.78 C ATOM 842 NE ARG A 53 -18.574 -8.547 -5.947 1.00 2.46 N ATOM 843 CZ ARG A 53 -19.590 -8.931 -5.175 1.00 3.32 C ATOM 844 NH1 ARG A 53 -19.701 -8.483 -3.931 1.00 3.80 N ATOM 845 NH2 ARG A 53 -20.503 -9.770 -5.647 1.00 4.10 N ATOM 0 H ARG A 53 -15.587 -6.900 -3.935 1.00 0.65 H new ATOM 0 HA ARG A 53 -14.075 -7.269 -6.359 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.251 -5.310 -5.533 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.531 -5.342 -7.130 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -17.517 -6.557 -7.385 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -16.287 -7.798 -7.259 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -16.819 -8.140 -4.881 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -17.975 -6.823 -4.922 1.00 1.78 H new ATOM 0 HE ARG A 53 -18.522 -8.925 -6.893 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -19.005 -7.838 -3.557 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -20.483 -8.783 -3.349 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -20.428 -10.122 -6.601 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -21.280 -10.063 -5.055 1.00 4.10 H new ATOM 859 N PRO A 54 -12.406 -5.381 -6.300 1.00 0.55 N ATOM 860 CA PRO A 54 -11.404 -4.304 -6.284 1.00 0.53 C ATOM 861 C PRO A 54 -11.978 -2.982 -6.786 1.00 0.57 C ATOM 862 O PRO A 54 -11.317 -1.947 -6.742 1.00 0.59 O ATOM 863 CB PRO A 54 -10.316 -4.799 -7.243 1.00 0.61 C ATOM 864 CG PRO A 54 -10.578 -6.256 -7.424 1.00 0.68 C ATOM 865 CD PRO A 54 -12.061 -6.425 -7.277 1.00 0.65 C ATOM 0 HA PRO A 54 -11.041 -4.107 -5.275 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.362 -4.271 -8.195 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.322 -4.627 -6.831 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -10.241 -6.595 -8.403 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -10.042 -6.845 -6.680 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.581 -6.282 -8.224 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.322 -7.420 -6.917 1.00 0.65 H new ATOM 873 N GLU A 55 -13.211 -3.045 -7.268 1.00 0.64 N ATOM 874 CA GLU A 55 -13.937 -1.876 -7.742 1.00 0.75 C ATOM 875 C GLU A 55 -14.055 -0.820 -6.648 1.00 0.69 C ATOM 876 O GLU A 55 -13.822 0.362 -6.887 1.00 0.80 O ATOM 877 CB GLU A 55 -15.329 -2.298 -8.203 1.00 0.92 C ATOM 878 CG GLU A 55 -15.310 -3.288 -9.350 1.00 1.39 C ATOM 879 CD GLU A 55 -16.657 -3.933 -9.578 1.00 1.89 C ATOM 880 OE1 GLU A 55 -17.674 -3.207 -9.623 1.00 2.27 O ATOM 881 OE2 GLU A 55 -16.705 -5.174 -9.698 1.00 2.43 O ATOM 0 H GLU A 55 -13.739 -3.915 -7.342 1.00 0.64 H new ATOM 0 HA GLU A 55 -13.385 -1.441 -8.575 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.864 -2.739 -7.362 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.887 -1.412 -8.507 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -14.996 -2.778 -10.261 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -14.570 -4.062 -9.146 1.00 1.39 H new ATOM 888 N LEU A 56 -14.406 -1.258 -5.445 1.00 0.64 N ATOM 889 CA LEU A 56 -14.549 -0.353 -4.306 1.00 0.68 C ATOM 890 C LEU A 56 -13.185 -0.063 -3.703 1.00 0.59 C ATOM 891 O LEU A 56 -13.035 0.785 -2.823 1.00 0.69 O ATOM 892 CB LEU A 56 -15.469 -0.951 -3.237 1.00 0.81 C ATOM 893 CG LEU A 56 -16.932 -1.141 -3.645 1.00 1.09 C ATOM 894 CD1 LEU A 56 -17.087 -2.331 -4.579 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.803 -1.309 -2.412 1.00 2.05 C ATOM 0 H LEU A 56 -14.598 -2.237 -5.230 1.00 0.64 H new ATOM 0 HA LEU A 56 -14.997 0.574 -4.663 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -15.066 -1.919 -2.939 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -15.438 -0.308 -2.357 1.00 0.81 H new ATOM 0 HG LEU A 56 -17.257 -0.250 -4.183 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -18.136 -2.444 -4.854 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -16.492 -2.168 -5.478 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -16.744 -3.235 -4.076 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -18.841 -1.443 -2.716 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.473 -2.183 -1.850 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -17.720 -0.422 -1.784 1.00 2.05 H new ATOM 907 N PHE A 57 -12.199 -0.778 -4.199 1.00 0.47 N ATOM 908 CA PHE A 57 -10.833 -0.635 -3.754 1.00 0.41 C ATOM 909 C PHE A 57 -10.093 0.307 -4.706 1.00 0.37 C ATOM 910 O PHE A 57 -10.694 0.886 -5.610 1.00 0.37 O ATOM 911 CB PHE A 57 -10.183 -2.027 -3.694 1.00 0.38 C ATOM 912 CG PHE A 57 -8.824 -2.081 -3.050 1.00 0.35 C ATOM 913 CD1 PHE A 57 -8.625 -1.590 -1.772 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.747 -2.635 -3.725 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.380 -1.650 -1.178 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.501 -2.703 -3.135 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.317 -2.209 -1.859 1.00 0.35 C ATOM 0 H PHE A 57 -12.325 -1.480 -4.928 1.00 0.47 H new ATOM 0 HA PHE A 57 -10.788 -0.200 -2.756 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -10.850 -2.697 -3.151 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.100 -2.414 -4.710 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.453 -1.155 -1.233 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -7.885 -3.018 -4.725 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.238 -1.260 -0.181 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.672 -3.142 -3.670 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.343 -2.260 -1.394 1.00 0.35 H new ATOM 927 N ILE A 58 -8.803 0.449 -4.502 1.00 0.36 N ATOM 928 CA ILE A 58 -7.988 1.394 -5.242 1.00 0.36 C ATOM 929 C ILE A 58 -7.579 0.884 -6.622 1.00 0.30 C ATOM 930 O ILE A 58 -7.600 -0.319 -6.899 1.00 0.30 O ATOM 931 CB ILE A 58 -6.725 1.732 -4.442 1.00 0.45 C ATOM 932 CG1 ILE A 58 -5.940 0.458 -4.154 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.095 2.438 -3.154 1.00 0.97 C ATOM 934 CD1 ILE A 58 -4.743 0.670 -3.256 1.00 0.90 C ATOM 0 H ILE A 58 -8.282 -0.092 -3.812 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.603 2.281 -5.391 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.097 2.402 -5.029 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.605 -0.271 -3.691 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.603 0.028 -5.098 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.189 2.673 -2.595 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -7.628 3.360 -3.385 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -7.734 1.790 -2.554 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.235 -0.281 -3.096 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.056 1.374 -3.725 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.074 1.070 -2.297 1.00 0.90 H new ATOM 946 N GLN A 59 -7.184 1.839 -7.459 1.00 0.31 N ATOM 947 CA GLN A 59 -6.810 1.603 -8.849 1.00 0.30 C ATOM 948 C GLN A 59 -5.577 0.710 -8.943 1.00 0.27 C ATOM 949 O GLN A 59 -4.746 0.692 -8.044 1.00 0.29 O ATOM 950 CB GLN A 59 -6.537 2.944 -9.543 1.00 0.39 C ATOM 951 CG GLN A 59 -5.384 3.718 -8.920 1.00 0.56 C ATOM 952 CD GLN A 59 -5.031 4.987 -9.669 1.00 0.60 C ATOM 953 OE1 GLN A 59 -3.772 5.416 -9.571 1.00 1.35 O flip ATOM 954 NE2 GLN A 59 -5.884 5.592 -10.316 1.00 0.58 N flip ATOM 0 H GLN A 59 -7.114 2.819 -7.184 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.636 1.094 -9.346 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.318 2.763 -10.595 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.439 3.555 -9.506 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.642 3.972 -7.892 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.505 3.074 -8.878 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -6.837 5.231 -10.367 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -5.639 6.455 -10.802 1.00 0.58 H new ATOM 963 N GLY A 60 -5.497 -0.069 -10.013 1.00 0.32 N ATOM 964 CA GLY A 60 -4.362 -0.954 -10.217 1.00 0.38 C ATOM 965 C GLY A 60 -3.020 -0.231 -10.188 1.00 0.37 C ATOM 966 O GLY A 60 -1.984 -0.854 -9.949 1.00 0.55 O ATOM 0 H GLY A 60 -6.202 -0.105 -10.749 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.368 -1.725 -9.446 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.473 -1.461 -11.176 1.00 0.38 H new ATOM 970 N ASP A 61 -3.037 1.074 -10.439 1.00 0.40 N ATOM 971 CA ASP A 61 -1.823 1.883 -10.390 1.00 0.46 C ATOM 972 C ASP A 61 -1.483 2.255 -8.950 1.00 0.44 C ATOM 973 O ASP A 61 -0.428 1.893 -8.436 1.00 0.54 O ATOM 974 CB ASP A 61 -1.987 3.165 -11.213 1.00 0.55 C ATOM 975 CG ASP A 61 -2.366 2.896 -12.651 1.00 0.81 C ATOM 976 OD1 ASP A 61 -1.455 2.681 -13.477 1.00 1.06 O ATOM 977 OD2 ASP A 61 -3.571 2.895 -12.967 1.00 0.96 O ATOM 0 H ASP A 61 -3.880 1.596 -10.679 1.00 0.40 H new ATOM 0 HA ASP A 61 -1.013 1.288 -10.812 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.751 3.791 -10.752 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.055 3.729 -11.188 1.00 0.55 H new ATOM 982 N SER A 62 -2.395 2.980 -8.309 1.00 0.40 N ATOM 983 CA SER A 62 -2.201 3.449 -6.951 1.00 0.46 C ATOM 984 C SER A 62 -3.541 3.401 -6.203 1.00 0.47 C ATOM 985 O SER A 62 -4.119 2.334 -6.033 1.00 0.70 O ATOM 986 CB SER A 62 -1.606 4.865 -6.971 1.00 0.53 C ATOM 987 OG SER A 62 -1.207 5.291 -5.681 1.00 0.80 O ATOM 0 H SER A 62 -3.287 3.256 -8.720 1.00 0.40 H new ATOM 0 HA SER A 62 -1.497 2.804 -6.425 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.747 4.888 -7.642 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.342 5.562 -7.371 1.00 0.53 H new ATOM 0 HG SER A 62 -1.065 6.261 -5.686 1.00 0.80 H new ATOM 993 N VAL A 63 -4.074 4.537 -5.806 1.00 0.38 N ATOM 994 CA VAL A 63 -5.326 4.546 -5.062 1.00 0.37 C ATOM 995 C VAL A 63 -6.458 5.140 -5.876 1.00 0.40 C ATOM 996 O VAL A 63 -6.245 5.950 -6.777 1.00 0.52 O ATOM 997 CB VAL A 63 -5.228 5.328 -3.738 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.141 4.774 -2.847 1.00 0.83 C ATOM 999 CG2 VAL A 63 -5.013 6.803 -3.990 1.00 0.78 C ATOM 0 H VAL A 63 -3.670 5.457 -5.980 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.533 3.499 -4.841 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.179 5.207 -3.218 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.100 5.349 -1.922 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -4.356 3.731 -2.616 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.181 4.842 -3.359 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.948 7.329 -3.038 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -4.087 6.946 -4.548 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -5.849 7.199 -4.567 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.662 4.699 -5.570 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.846 5.398 -6.011 1.00 0.40 C ATOM 1011 C ARG A 64 -8.989 6.617 -5.112 1.00 0.40 C ATOM 1012 O ARG A 64 -8.453 6.613 -4.006 1.00 0.40 O ATOM 1013 CB ARG A 64 -10.095 4.508 -5.892 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.385 4.053 -4.467 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.754 3.400 -4.340 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.843 4.343 -4.601 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.917 4.061 -5.343 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -14.037 2.885 -5.935 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.860 4.976 -5.518 1.00 2.05 N ATOM 0 H ARG A 64 -7.843 3.860 -5.018 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.753 5.680 -7.060 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.958 5.054 -6.273 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.968 3.631 -6.526 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.617 3.348 -4.149 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.329 4.910 -3.795 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.823 2.566 -5.038 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.866 2.987 -3.338 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.777 5.274 -4.190 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.305 2.183 -5.827 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -14.861 2.680 -6.499 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.765 5.895 -5.086 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.680 4.761 -6.085 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.702 7.663 -5.544 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.945 8.840 -4.697 1.00 0.53 C ATOM 1035 C PRO A 65 -10.579 8.453 -3.360 1.00 0.44 C ATOM 1036 O PRO A 65 -10.585 9.231 -2.407 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.921 9.684 -5.509 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.787 9.218 -6.918 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.303 7.797 -6.878 1.00 0.61 C ATOM 0 HA PRO A 65 -9.019 9.361 -4.453 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.942 9.555 -5.150 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.685 10.745 -5.424 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.744 9.283 -7.436 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -10.085 9.847 -7.465 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -11.122 7.092 -7.019 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.575 7.601 -7.665 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.118 7.240 -3.322 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.741 6.717 -2.130 1.00 0.32 C ATOM 1049 C GLY A 66 -10.751 6.377 -1.025 1.00 0.25 C ATOM 1050 O GLY A 66 -10.980 6.727 0.131 1.00 0.27 O ATOM 0 H GLY A 66 -11.131 6.601 -4.117 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.456 7.448 -1.753 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.306 5.822 -2.388 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.662 5.673 -1.345 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.680 5.348 -0.329 1.00 0.23 C ATOM 1056 C ILE A 67 -7.452 6.234 -0.447 1.00 0.24 C ATOM 1057 O ILE A 67 -6.850 6.341 -1.506 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.264 3.877 -0.424 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.512 2.997 -0.388 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.302 3.502 0.696 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.216 1.521 -0.417 1.00 0.34 C ATOM 0 H ILE A 67 -9.448 5.327 -2.280 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.145 5.524 0.641 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.739 3.718 -1.366 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.081 3.226 0.513 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.147 3.248 -1.238 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.025 2.452 0.601 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.407 4.121 0.629 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.785 3.665 1.660 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.151 0.962 -0.389 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.674 1.276 -1.331 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.608 1.255 0.448 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.103 6.866 0.651 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.918 7.700 0.718 1.00 0.29 C ATOM 1075 C LEU A 68 -4.774 6.885 1.303 1.00 0.28 C ATOM 1076 O LEU A 68 -4.952 6.203 2.307 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.179 8.929 1.595 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.487 9.678 1.311 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.640 10.866 2.251 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.545 10.134 -0.139 1.00 0.44 C ATOM 0 H LEU A 68 -7.630 6.818 1.523 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.659 8.040 -0.285 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.180 8.615 2.639 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.349 9.624 1.472 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.315 8.992 1.486 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.574 11.384 2.033 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.652 10.514 3.283 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.804 11.551 2.111 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.481 10.663 -0.317 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.707 10.800 -0.345 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.488 9.266 -0.796 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.612 6.935 0.681 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.484 6.152 1.155 1.00 0.27 C ATOM 1094 C VAL A 69 -1.393 7.031 1.742 1.00 0.19 C ATOM 1095 O VAL A 69 -0.920 7.979 1.117 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.908 5.239 0.049 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.461 4.855 0.324 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.755 3.986 -0.064 1.00 0.81 C ATOM 0 H VAL A 69 -3.424 7.503 -0.145 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.866 5.512 1.951 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.930 5.795 -0.888 1.00 0.44 H new ATOM 0 HG11 VAL A 69 -0.096 4.213 -0.478 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.151 5.756 0.375 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.400 4.321 1.272 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -2.349 3.342 -0.844 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.746 3.454 0.887 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.779 4.261 -0.317 1.00 0.81 H new ATOM 1108 N LEU A 70 -1.016 6.713 2.961 1.00 0.18 N ATOM 1109 CA LEU A 70 0.095 7.374 3.608 1.00 0.16 C ATOM 1110 C LEU A 70 1.379 6.657 3.266 1.00 0.15 C ATOM 1111 O LEU A 70 1.533 5.477 3.563 1.00 0.19 O ATOM 1112 CB LEU A 70 -0.084 7.396 5.126 1.00 0.22 C ATOM 1113 CG LEU A 70 -1.245 8.243 5.638 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.293 8.202 7.156 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.112 9.674 5.143 1.00 0.90 C ATOM 0 H LEU A 70 -1.467 5.995 3.528 1.00 0.18 H new ATOM 0 HA LEU A 70 0.134 8.403 3.250 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -0.223 6.372 5.473 1.00 0.22 H new ATOM 0 HB3 LEU A 70 0.838 7.763 5.578 1.00 0.22 H new ATOM 0 HG LEU A 70 -2.178 7.833 5.252 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -2.125 8.810 7.510 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.428 7.173 7.488 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -0.360 8.594 7.560 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.947 10.267 5.516 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.175 10.099 5.505 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.118 9.684 4.053 1.00 0.90 H new ATOM 1127 N ILE A 71 2.275 7.353 2.603 1.00 0.14 N ATOM 1128 CA ILE A 71 3.618 6.852 2.416 1.00 0.17 C ATOM 1129 C ILE A 71 4.426 7.281 3.621 1.00 0.20 C ATOM 1130 O ILE A 71 4.578 8.476 3.851 1.00 0.24 O ATOM 1131 CB ILE A 71 4.275 7.389 1.128 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.382 7.112 -0.091 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.653 6.760 0.947 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.317 5.657 -0.498 1.00 0.20 C ATOM 0 H ILE A 71 2.099 8.266 2.185 1.00 0.14 H new ATOM 0 HA ILE A 71 3.584 5.767 2.315 1.00 0.17 H new ATOM 0 HB ILE A 71 4.394 8.469 1.216 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.373 7.462 0.126 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.748 7.697 -0.935 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.111 7.144 0.035 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.282 7.009 1.802 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.552 5.677 0.874 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.666 5.551 -1.366 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.317 5.305 -0.750 1.00 0.20 H new ATOM 0 HD13 ILE A 71 2.921 5.066 0.328 1.00 0.20 H new ATOM 1146 N ASN A 72 4.845 6.293 4.415 1.00 0.22 N ATOM 1147 CA ASN A 72 5.534 6.462 5.711 1.00 0.28 C ATOM 1148 C ASN A 72 4.622 7.097 6.744 1.00 0.27 C ATOM 1149 O ASN A 72 4.499 6.569 7.845 1.00 0.31 O ATOM 1150 CB ASN A 72 6.924 7.154 5.662 1.00 0.41 C ATOM 1151 CG ASN A 72 6.952 8.570 5.127 1.00 1.04 C ATOM 1152 OD1 ASN A 72 6.635 9.529 5.831 1.00 1.94 O ATOM 1153 ND2 ASN A 72 7.388 8.710 3.887 1.00 1.33 N ATOM 0 H ASN A 72 4.712 5.312 4.169 1.00 0.22 H new ATOM 0 HA ASN A 72 5.769 5.444 6.021 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.338 7.161 6.670 1.00 0.41 H new ATOM 0 HB3 ASN A 72 7.588 6.544 5.049 1.00 0.41 H new ATOM 0 HD21 ASN A 72 7.473 9.641 3.478 1.00 1.33 H new ATOM 0 HD22 ASN A 72 7.640 7.887 3.339 1.00 1.33 H new ATOM 1160 N ASP A 73 3.992 8.200 6.372 1.00 0.26 N ATOM 1161 CA ASP A 73 2.933 8.834 7.160 1.00 0.29 C ATOM 1162 C ASP A 73 2.492 10.121 6.462 1.00 0.28 C ATOM 1163 O ASP A 73 1.932 11.023 7.078 1.00 0.36 O ATOM 1164 CB ASP A 73 3.408 9.139 8.590 1.00 0.36 C ATOM 1165 CG ASP A 73 2.273 9.509 9.532 1.00 0.62 C ATOM 1166 OD1 ASP A 73 1.418 8.642 9.811 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.239 10.666 10.008 1.00 0.65 O ATOM 0 H ASP A 73 4.201 8.691 5.503 1.00 0.26 H new ATOM 0 HA ASP A 73 2.091 8.146 7.233 1.00 0.29 H new ATOM 0 HB2 ASP A 73 3.931 8.268 8.986 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.128 9.957 8.560 1.00 0.36 H new ATOM 1172 N ALA A 74 2.717 10.187 5.153 1.00 0.27 N ATOM 1173 CA ALA A 74 2.479 11.413 4.401 1.00 0.29 C ATOM 1174 C ALA A 74 1.706 11.141 3.115 1.00 0.25 C ATOM 1175 O ALA A 74 1.618 9.997 2.665 1.00 0.20 O ATOM 1176 CB ALA A 74 3.800 12.097 4.087 1.00 0.33 C ATOM 0 H ALA A 74 3.063 9.408 4.593 1.00 0.27 H new ATOM 0 HA ALA A 74 1.871 12.073 5.020 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.612 13.012 3.525 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.313 12.342 5.017 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.424 11.429 3.493 1.00 0.33 H new ATOM 1182 N ASP A 75 1.154 12.206 2.537 1.00 0.30 N ATOM 1183 CA ASP A 75 0.362 12.121 1.310 1.00 0.29 C ATOM 1184 C ASP A 75 1.152 11.490 0.174 1.00 0.23 C ATOM 1185 O ASP A 75 2.105 12.073 -0.342 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.136 13.503 0.879 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.272 14.019 1.736 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -2.441 13.671 1.463 1.00 0.61 O ATOM 1189 OD2 ASP A 75 -1.001 14.755 2.706 1.00 0.62 O ATOM 0 H ASP A 75 1.243 13.153 2.906 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.495 11.485 1.531 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.692 14.210 0.920 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.464 13.457 -0.159 1.00 0.36 H new ATOM 1194 N TRP A 76 0.733 10.294 -0.201 1.00 0.21 N ATOM 1195 CA TRP A 76 1.352 9.528 -1.272 1.00 0.17 C ATOM 1196 C TRP A 76 1.471 10.317 -2.578 1.00 0.16 C ATOM 1197 O TRP A 76 2.536 10.342 -3.194 1.00 0.14 O ATOM 1198 CB TRP A 76 0.540 8.245 -1.518 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.799 8.463 -2.186 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.177 7.956 -3.392 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.917 9.250 -1.719 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.437 8.378 -3.713 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.918 9.164 -2.703 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.176 10.014 -0.575 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.145 9.811 -2.581 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.393 10.652 -0.454 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.364 10.546 -1.452 1.00 0.34 C ATOM 0 H TRP A 76 -0.058 9.820 0.235 1.00 0.21 H new ATOM 0 HA TRP A 76 2.366 9.287 -0.951 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.132 7.569 -2.134 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.377 7.746 -0.563 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.567 7.311 -4.008 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.939 8.144 -4.570 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.432 10.103 0.203 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.897 9.734 -3.353 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.598 11.243 0.426 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.308 11.056 -1.328 1.00 0.34 H new ATOM 1218 N GLU A 77 0.386 10.967 -2.978 1.00 0.19 N ATOM 1219 CA GLU A 77 0.281 11.560 -4.304 1.00 0.21 C ATOM 1220 C GLU A 77 1.356 12.618 -4.542 1.00 0.21 C ATOM 1221 O GLU A 77 1.950 12.683 -5.615 1.00 0.27 O ATOM 1222 CB GLU A 77 -1.114 12.162 -4.501 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.545 13.101 -3.386 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.890 13.740 -3.655 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -2.935 14.754 -4.387 1.00 0.82 O ATOM 1226 OE2 GLU A 77 -3.907 13.238 -3.140 1.00 0.74 O ATOM 0 H GLU A 77 -0.441 11.097 -2.396 1.00 0.19 H new ATOM 0 HA GLU A 77 0.438 10.767 -5.035 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -1.135 12.704 -5.447 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.840 11.353 -4.581 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.590 12.549 -2.447 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.794 13.881 -3.262 1.00 0.49 H new ATOM 1233 N LEU A 78 1.621 13.431 -3.529 1.00 0.24 N ATOM 1234 CA LEU A 78 2.617 14.487 -3.643 1.00 0.29 C ATOM 1235 C LEU A 78 4.002 13.996 -3.219 1.00 0.25 C ATOM 1236 O LEU A 78 4.957 14.770 -3.170 1.00 0.35 O ATOM 1237 CB LEU A 78 2.181 15.731 -2.851 1.00 0.47 C ATOM 1238 CG LEU A 78 1.652 15.488 -1.433 1.00 0.55 C ATOM 1239 CD1 LEU A 78 2.789 15.308 -0.445 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.752 16.635 -1.000 1.00 1.00 C ATOM 0 H LEU A 78 1.161 13.380 -2.620 1.00 0.24 H new ATOM 0 HA LEU A 78 2.692 14.773 -4.692 1.00 0.29 H new ATOM 0 HB2 LEU A 78 3.032 16.410 -2.786 1.00 0.47 H new ATOM 0 HB3 LEU A 78 1.406 16.244 -3.421 1.00 0.47 H new ATOM 0 HG LEU A 78 1.069 14.567 -1.446 1.00 0.55 H new ATOM 0 HD11 LEU A 78 2.382 15.138 0.552 1.00 1.12 H new ATOM 0 HD12 LEU A 78 3.396 14.452 -0.740 1.00 1.12 H new ATOM 0 HD13 LEU A 78 3.408 16.205 -0.435 1.00 1.12 H new ATOM 0 HD21 LEU A 78 0.384 16.448 0.009 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.318 17.566 -1.013 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -0.092 16.714 -1.685 1.00 1.00 H new ATOM 1252 N LEU A 79 4.102 12.709 -2.902 1.00 0.20 N ATOM 1253 CA LEU A 79 5.385 12.108 -2.553 1.00 0.20 C ATOM 1254 C LEU A 79 5.942 11.271 -3.709 1.00 0.20 C ATOM 1255 O LEU A 79 7.153 11.185 -3.897 1.00 0.22 O ATOM 1256 CB LEU A 79 5.233 11.221 -1.312 1.00 0.22 C ATOM 1257 CG LEU A 79 5.856 11.768 -0.023 1.00 0.38 C ATOM 1258 CD1 LEU A 79 5.133 13.017 0.440 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.839 10.710 1.069 1.00 0.75 C ATOM 0 H LEU A 79 3.313 12.064 -2.879 1.00 0.20 H new ATOM 0 HA LEU A 79 6.084 12.918 -2.344 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.171 11.052 -1.137 1.00 0.22 H new ATOM 0 HB3 LEU A 79 5.679 10.250 -1.526 1.00 0.22 H new ATOM 0 HG LEU A 79 6.892 12.033 -0.234 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.594 13.386 1.356 1.00 0.79 H new ATOM 0 HD12 LEU A 79 5.199 13.783 -0.333 1.00 0.79 H new ATOM 0 HD13 LEU A 79 4.086 12.782 0.630 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.285 11.117 1.977 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.810 10.413 1.272 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.409 9.841 0.742 1.00 0.75 H new ATOM 1271 N GLY A 80 5.054 10.684 -4.505 1.00 0.20 N ATOM 1272 CA GLY A 80 5.492 9.821 -5.592 1.00 0.22 C ATOM 1273 C GLY A 80 4.634 8.574 -5.713 1.00 0.19 C ATOM 1274 O GLY A 80 4.629 7.917 -6.755 1.00 0.22 O ATOM 0 H GLY A 80 4.043 10.788 -4.419 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.459 10.375 -6.530 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.530 9.532 -5.429 1.00 0.22 H new ATOM 1278 N GLU A 81 3.918 8.266 -4.627 1.00 0.17 N ATOM 1279 CA GLU A 81 2.934 7.178 -4.557 1.00 0.20 C ATOM 1280 C GLU A 81 3.371 5.877 -5.260 1.00 0.16 C ATOM 1281 O GLU A 81 4.428 5.329 -4.947 1.00 0.17 O ATOM 1282 CB GLU A 81 1.554 7.660 -5.050 1.00 0.33 C ATOM 1283 CG GLU A 81 1.572 8.471 -6.334 1.00 0.48 C ATOM 1284 CD GLU A 81 0.180 8.757 -6.861 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.643 7.821 -6.925 1.00 0.58 O ATOM 1286 OE2 GLU A 81 -0.100 9.924 -7.201 1.00 0.41 O ATOM 0 H GLU A 81 4.008 8.778 -3.750 1.00 0.17 H new ATOM 0 HA GLU A 81 2.859 6.910 -3.503 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.915 6.790 -5.198 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.096 8.262 -4.265 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.090 9.413 -6.157 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.140 7.932 -7.092 1.00 0.48 H new ATOM 1293 N LEU A 82 2.536 5.402 -6.189 1.00 0.16 N ATOM 1294 CA LEU A 82 2.656 4.078 -6.818 1.00 0.18 C ATOM 1295 C LEU A 82 4.103 3.654 -7.134 1.00 0.16 C ATOM 1296 O LEU A 82 4.541 2.580 -6.712 1.00 0.20 O ATOM 1297 CB LEU A 82 1.806 4.015 -8.100 1.00 0.24 C ATOM 1298 CG LEU A 82 2.273 4.874 -9.285 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.422 4.587 -10.508 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.212 6.353 -8.946 1.00 1.19 C ATOM 0 H LEU A 82 1.739 5.937 -6.534 1.00 0.16 H new ATOM 0 HA LEU A 82 2.285 3.369 -6.078 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.764 2.977 -8.429 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.788 4.310 -7.847 1.00 0.24 H new ATOM 0 HG LEU A 82 3.310 4.616 -9.501 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.763 5.202 -11.341 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.511 3.534 -10.774 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.380 4.819 -10.289 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.548 6.937 -9.803 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.186 6.628 -8.699 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.858 6.557 -8.092 1.00 1.19 H new ATOM 1312 N ASP A 83 4.855 4.477 -7.855 1.00 0.20 N ATOM 1313 CA ASP A 83 6.208 4.091 -8.243 1.00 0.24 C ATOM 1314 C ASP A 83 7.234 4.649 -7.268 1.00 0.26 C ATOM 1315 O ASP A 83 7.951 5.605 -7.551 1.00 0.56 O ATOM 1316 CB ASP A 83 6.530 4.494 -9.691 1.00 0.34 C ATOM 1317 CG ASP A 83 6.247 5.950 -10.008 1.00 1.21 C ATOM 1318 OD1 ASP A 83 5.097 6.277 -10.363 1.00 2.00 O ATOM 1319 OD2 ASP A 83 7.172 6.777 -9.871 1.00 1.72 O ATOM 0 H ASP A 83 4.560 5.398 -8.178 1.00 0.20 H new ATOM 0 HA ASP A 83 6.261 3.003 -8.200 1.00 0.24 H new ATOM 0 HB2 ASP A 83 7.582 4.289 -9.888 1.00 0.34 H new ATOM 0 HB3 ASP A 83 5.950 3.867 -10.368 1.00 0.34 H new ATOM 1324 N TYR A 84 7.274 4.042 -6.098 1.00 0.21 N ATOM 1325 CA TYR A 84 8.189 4.441 -5.057 1.00 0.19 C ATOM 1326 C TYR A 84 9.279 3.399 -4.877 1.00 0.21 C ATOM 1327 O TYR A 84 8.986 2.219 -4.747 1.00 0.33 O ATOM 1328 CB TYR A 84 7.433 4.610 -3.743 1.00 0.19 C ATOM 1329 CG TYR A 84 7.545 5.991 -3.163 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.780 6.554 -2.890 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.409 6.726 -2.888 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.880 7.821 -2.357 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.493 7.992 -2.354 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.776 8.536 -2.095 1.00 0.25 C ATOM 1335 OH TYR A 84 7.798 9.808 -1.571 1.00 0.30 O ATOM 0 H TYR A 84 6.671 3.259 -5.846 1.00 0.21 H new ATOM 0 HA TYR A 84 8.647 5.388 -5.344 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.381 4.377 -3.905 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.812 3.888 -3.019 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.678 5.992 -3.098 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.438 6.301 -3.095 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.853 8.241 -2.149 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.600 8.559 -2.137 1.00 0.21 H new ATOM 0 HH TYR A 84 7.729 10.462 -2.297 1.00 0.30 H new ATOM 1345 N GLN A 85 10.529 3.840 -4.822 1.00 0.27 N ATOM 1346 CA GLN A 85 11.655 2.939 -4.568 1.00 0.28 C ATOM 1347 C GLN A 85 11.795 2.704 -3.064 1.00 0.24 C ATOM 1348 O GLN A 85 12.855 2.323 -2.569 1.00 0.28 O ATOM 1349 CB GLN A 85 12.958 3.507 -5.150 1.00 0.40 C ATOM 1350 CG GLN A 85 13.470 4.779 -4.476 1.00 0.70 C ATOM 1351 CD GLN A 85 12.617 6.003 -4.748 1.00 0.77 C ATOM 1352 OE1 GLN A 85 11.662 6.261 -3.871 1.00 1.74 O flip ATOM 1353 NE2 GLN A 85 12.819 6.714 -5.731 1.00 0.74 N flip ATOM 0 H GLN A 85 10.793 4.817 -4.950 1.00 0.27 H new ATOM 0 HA GLN A 85 11.459 1.987 -5.062 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.732 2.742 -5.082 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.805 3.712 -6.209 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.519 4.614 -3.400 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.487 4.974 -4.815 1.00 0.70 H new ATOM 0 HE21 GLN A 85 13.567 6.480 -6.384 1.00 0.74 H new ATOM 0 HE22 GLN A 85 12.239 7.537 -5.893 1.00 0.74 H new ATOM 1362 N LEU A 86 10.670 2.890 -2.379 1.00 0.22 N ATOM 1363 CA LEU A 86 10.561 2.805 -0.920 1.00 0.24 C ATOM 1364 C LEU A 86 11.477 3.781 -0.189 1.00 0.30 C ATOM 1365 O LEU A 86 12.494 4.232 -0.715 1.00 0.34 O ATOM 1366 CB LEU A 86 10.817 1.372 -0.427 1.00 0.25 C ATOM 1367 CG LEU A 86 9.740 0.362 -0.802 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.370 0.897 -0.422 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.820 0.029 -2.280 1.00 0.86 C ATOM 0 H LEU A 86 9.783 3.110 -2.833 1.00 0.22 H new ATOM 0 HA LEU A 86 9.536 3.090 -0.682 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.771 1.030 -0.829 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.916 1.389 0.658 1.00 0.25 H new ATOM 0 HG LEU A 86 9.905 -0.562 -0.247 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.607 0.168 -0.694 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.335 1.076 0.653 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.185 1.831 -0.952 1.00 0.75 H new ATOM 0 HD21 LEU A 86 9.044 -0.694 -2.533 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.675 0.937 -2.866 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.798 -0.395 -2.505 1.00 0.86 H new ATOM 1381 N GLN A 87 11.069 4.144 1.014 1.00 0.39 N ATOM 1382 CA GLN A 87 11.910 4.900 1.918 1.00 0.51 C ATOM 1383 C GLN A 87 12.041 4.106 3.207 1.00 0.76 C ATOM 1384 O GLN A 87 11.196 3.259 3.507 1.00 1.74 O ATOM 1385 CB GLN A 87 11.326 6.289 2.199 1.00 0.46 C ATOM 1386 CG GLN A 87 10.941 7.059 0.947 1.00 0.86 C ATOM 1387 CD GLN A 87 9.441 7.233 0.816 1.00 0.65 C ATOM 1388 OE1 GLN A 87 8.786 6.246 0.228 1.00 1.18 O flip ATOM 1389 NE2 GLN A 87 8.873 8.234 1.256 1.00 0.48 N flip ATOM 0 H GLN A 87 10.147 3.922 1.389 1.00 0.39 H new ATOM 0 HA GLN A 87 12.888 5.055 1.463 1.00 0.51 H new ATOM 0 HB2 GLN A 87 10.446 6.181 2.833 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.055 6.872 2.763 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.418 8.039 0.965 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.322 6.535 0.070 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.416 8.973 1.703 1.00 0.48 H new ATOM 0 HE22 GLN A 87 7.860 8.323 1.173 1.00 0.48 H new ATOM 1398 N ASP A 88 13.093 4.355 3.958 1.00 0.43 N ATOM 1399 CA ASP A 88 13.390 3.546 5.128 1.00 0.40 C ATOM 1400 C ASP A 88 12.309 3.722 6.189 1.00 0.32 C ATOM 1401 O ASP A 88 12.039 4.841 6.623 1.00 0.36 O ATOM 1402 CB ASP A 88 14.751 3.927 5.723 1.00 0.56 C ATOM 1403 CG ASP A 88 15.874 3.975 4.707 1.00 1.40 C ATOM 1404 OD1 ASP A 88 15.847 4.859 3.829 1.00 1.53 O ATOM 1405 OD2 ASP A 88 16.777 3.110 4.759 1.00 2.44 O ATOM 0 H ASP A 88 13.757 5.109 3.782 1.00 0.43 H new ATOM 0 HA ASP A 88 13.419 2.503 4.812 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.667 4.902 6.203 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.010 3.210 6.502 1.00 0.56 H new ATOM 1410 N GLN A 89 11.700 2.607 6.590 1.00 0.31 N ATOM 1411 CA GLN A 89 10.667 2.593 7.632 1.00 0.34 C ATOM 1412 C GLN A 89 9.373 3.253 7.150 1.00 0.34 C ATOM 1413 O GLN A 89 8.689 3.935 7.914 1.00 0.42 O ATOM 1414 CB GLN A 89 11.166 3.278 8.916 1.00 0.40 C ATOM 1415 CG GLN A 89 12.368 2.596 9.559 1.00 0.62 C ATOM 1416 CD GLN A 89 12.067 1.187 10.035 1.00 0.77 C ATOM 1417 OE1 GLN A 89 11.631 0.983 11.167 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.316 0.203 9.186 1.00 0.71 N ATOM 0 H GLN A 89 11.907 1.686 6.203 1.00 0.31 H new ATOM 0 HA GLN A 89 10.451 1.548 7.857 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.428 4.311 8.686 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.350 3.310 9.638 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.187 2.563 8.841 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.709 3.194 10.404 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.677 0.412 8.255 1.00 0.71 H new ATOM 0 HE22 GLN A 89 12.147 -0.764 9.462 1.00 0.71 H new ATOM 1427 N ASP A 90 9.026 3.026 5.889 1.00 0.30 N ATOM 1428 CA ASP A 90 7.777 3.544 5.334 1.00 0.34 C ATOM 1429 C ASP A 90 6.584 2.815 5.918 1.00 0.32 C ATOM 1430 O ASP A 90 6.483 1.596 5.803 1.00 0.45 O ATOM 1431 CB ASP A 90 7.724 3.374 3.814 1.00 0.45 C ATOM 1432 CG ASP A 90 8.377 4.476 3.039 1.00 0.75 C ATOM 1433 OD1 ASP A 90 8.573 5.582 3.588 1.00 1.17 O ATOM 1434 OD2 ASP A 90 8.671 4.233 1.856 1.00 1.06 O ATOM 0 H ASP A 90 9.589 2.488 5.231 1.00 0.30 H new ATOM 0 HA ASP A 90 7.741 4.603 5.589 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.202 2.430 3.551 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.681 3.300 3.506 1.00 0.45 H new ATOM 1439 N SER A 91 5.683 3.544 6.547 1.00 0.23 N ATOM 1440 CA SER A 91 4.418 3.002 6.912 1.00 0.21 C ATOM 1441 C SER A 91 3.421 3.317 5.819 1.00 0.17 C ATOM 1442 O SER A 91 2.899 4.424 5.738 1.00 0.17 O ATOM 1443 CB SER A 91 3.973 3.614 8.214 1.00 0.25 C ATOM 1444 OG SER A 91 4.714 3.097 9.308 1.00 1.14 O ATOM 0 H SER A 91 5.819 4.520 6.811 1.00 0.23 H new ATOM 0 HA SER A 91 4.490 1.921 7.036 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.094 4.696 8.169 1.00 0.25 H new ATOM 0 HB3 SER A 91 2.912 3.418 8.366 1.00 0.25 H new ATOM 0 HG SER A 91 4.404 3.514 10.139 1.00 1.14 H new ATOM 1450 N ILE A 92 3.208 2.358 4.954 1.00 0.17 N ATOM 1451 CA ILE A 92 2.293 2.531 3.850 1.00 0.15 C ATOM 1452 C ILE A 92 0.893 2.168 4.314 1.00 0.14 C ATOM 1453 O ILE A 92 0.570 0.997 4.529 1.00 0.17 O ATOM 1454 CB ILE A 92 2.706 1.675 2.633 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.210 1.835 2.349 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.893 2.063 1.406 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.674 3.276 2.221 1.00 0.21 C ATOM 0 H ILE A 92 3.658 1.443 4.992 1.00 0.17 H new ATOM 0 HA ILE A 92 2.317 3.572 3.529 1.00 0.15 H new ATOM 0 HB ILE A 92 2.505 0.629 2.865 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.772 1.355 3.150 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.452 1.305 1.428 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.198 1.449 0.558 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.833 1.904 1.606 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.065 3.114 1.173 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.745 3.297 2.021 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.143 3.758 1.400 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.467 3.809 3.149 1.00 0.21 H new ATOM 1469 N LEU A 93 0.075 3.186 4.484 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.214 3.026 5.123 1.00 0.14 C ATOM 1471 C LEU A 93 -2.345 3.261 4.138 1.00 0.14 C ATOM 1472 O LEU A 93 -2.392 4.293 3.475 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.333 4.014 6.282 1.00 0.18 C ATOM 1474 CG LEU A 93 -1.932 3.435 7.558 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.301 4.547 8.525 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.139 2.582 7.224 1.00 0.56 C ATOM 0 H LEU A 93 0.282 4.139 4.186 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.290 2.004 5.495 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.342 4.407 6.509 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.945 4.857 5.961 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.188 2.803 8.043 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -2.727 4.115 9.431 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.408 5.118 8.781 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.033 5.207 8.059 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.560 2.172 8.142 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -3.889 3.193 6.722 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -2.837 1.766 6.568 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.257 2.307 4.056 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.432 2.463 3.219 1.00 0.14 C ATOM 1490 C PHE A 94 -5.589 3.009 4.053 1.00 0.13 C ATOM 1491 O PHE A 94 -6.101 2.334 4.951 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.814 1.119 2.590 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.728 0.528 1.730 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.669 -0.157 2.301 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.771 0.655 0.349 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.673 -0.703 1.513 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.779 0.110 -0.442 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.718 -0.556 0.144 1.00 0.33 C ATOM 0 H PHE A 94 -3.206 1.420 4.557 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.210 3.168 2.418 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -5.063 0.414 3.383 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.712 1.251 1.987 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.620 -0.266 3.374 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.590 1.186 -0.113 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.859 -1.245 1.971 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -2.832 0.204 -1.517 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.927 -0.960 -0.470 1.00 0.33 H new ATOM 1508 N ILE A 95 -6.013 4.224 3.742 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.071 4.881 4.492 1.00 0.17 C ATOM 1510 C ILE A 95 -8.295 5.081 3.621 1.00 0.18 C ATOM 1511 O ILE A 95 -8.327 5.976 2.784 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.619 6.263 5.018 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.354 6.126 5.864 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.730 6.926 5.827 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -5.521 5.179 7.022 1.00 1.16 C ATOM 0 H ILE A 95 -5.638 4.777 2.971 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.310 4.235 5.337 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.397 6.897 4.159 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.537 5.778 5.232 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.069 7.107 6.243 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.389 7.897 6.186 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.609 7.061 5.196 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -7.988 6.294 6.677 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -4.589 5.124 7.585 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.318 5.538 7.674 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -5.778 4.188 6.648 1.00 1.16 H new ATOM 1527 N SER A 96 -9.301 4.254 3.809 1.00 0.20 N ATOM 1528 CA SER A 96 -10.526 4.428 3.067 1.00 0.24 C ATOM 1529 C SER A 96 -11.318 5.571 3.671 1.00 0.28 C ATOM 1530 O SER A 96 -11.753 5.499 4.822 1.00 0.35 O ATOM 1531 CB SER A 96 -11.347 3.138 3.066 1.00 0.31 C ATOM 1532 OG SER A 96 -12.509 3.270 2.266 1.00 0.37 O ATOM 0 H SER A 96 -9.295 3.468 4.459 1.00 0.20 H new ATOM 0 HA SER A 96 -10.287 4.667 2.031 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.737 2.316 2.692 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.632 2.885 4.087 1.00 0.31 H new ATOM 0 HG SER A 96 -13.014 2.430 2.282 1.00 0.37 H new ATOM 1538 N THR A 97 -11.490 6.631 2.900 1.00 0.27 N ATOM 1539 CA THR A 97 -12.210 7.787 3.383 1.00 0.36 C ATOM 1540 C THR A 97 -13.635 7.772 2.836 1.00 0.48 C ATOM 1541 O THR A 97 -14.391 8.739 2.975 1.00 0.58 O ATOM 1542 CB THR A 97 -11.489 9.104 3.017 1.00 0.34 C ATOM 1543 OG1 THR A 97 -12.037 10.189 3.775 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.603 9.409 1.529 1.00 0.35 C ATOM 0 H THR A 97 -11.142 6.711 1.944 1.00 0.27 H new ATOM 0 HA THR A 97 -12.247 7.737 4.471 1.00 0.36 H new ATOM 0 HB THR A 97 -10.433 8.983 3.258 1.00 0.34 H new ATOM 0 HG1 THR A 97 -13.016 10.143 3.752 1.00 0.43 H new ATOM 0 HG21 THR A 97 -11.085 10.342 1.308 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.152 8.599 0.956 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.654 9.505 1.257 1.00 0.35 H new