USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 545 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 9 LYS NZ :NH3+ -139:sc= 0.846 (180deg=-0.339) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 0:sc= 0.256 USER MOD Single : A 19 HIS : no HE2:sc= 0.00187 X(o=0.0019,f=-0.37) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 145:sc= -0.248 (180deg=-0.878) USER MOD Single : A 27 SER OG : rot 72:sc= 1.18 USER MOD Single : A 32 GLN : amide:sc= -5.25! C(o=-5.3!,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.612 K(o=0.61,f=-0.07) USER MOD Single : A 47 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.76) USER MOD Single : A 49 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.0083) USER MOD Single : A 51 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.09 K(o=-0.09,f=-1.2) USER MOD Single : A 65 ASN : amide:sc= -0.698 K(o=-0.7,f=-0.0041) USER MOD Single : A 68 LYS NZ :NH3+ 152:sc= -0.898! (180deg=-3.32!) USER MOD Single : A 71 CYS SG : rot 54:sc= 2.3 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0422 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.864 USER MOD Single : A 85 SER OG : rot 64:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 6 4.728 16.773 3.095 1.00 41.34 N ATOM 73 CA GLU A 6 5.369 15.489 2.857 1.00 70.21 C ATOM 74 C GLU A 6 4.327 14.519 2.307 1.00 33.14 C ATOM 75 O GLU A 6 3.128 14.752 2.458 1.00 3.33 O ATOM 76 CB GLU A 6 5.969 14.950 4.157 1.00 62.34 C ATOM 77 CG GLU A 6 7.025 15.860 4.752 1.00 61.23 C ATOM 78 CD GLU A 6 8.404 15.227 4.754 1.00 51.30 C ATOM 79 OE1 GLU A 6 8.659 14.345 5.602 1.00 24.12 O ATOM 80 OE2 GLU A 6 9.246 15.614 3.914 1.00 1.41 O ATOM 0 HA GLU A 6 6.177 15.605 2.135 1.00 70.21 H new ATOM 0 HB2 GLU A 6 5.171 14.806 4.885 1.00 62.34 H new ATOM 0 HB3 GLU A 6 6.408 13.970 3.968 1.00 62.34 H new ATOM 0 HG2 GLU A 6 7.057 16.792 4.187 1.00 61.23 H new ATOM 0 HG3 GLU A 6 6.745 16.116 5.774 1.00 61.23 H new ATOM 85 N PRO A 7 4.751 13.430 1.652 1.00 32.03 N ATOM 86 CA PRO A 7 3.820 12.458 1.079 1.00 22.22 C ATOM 87 C PRO A 7 3.218 11.552 2.147 1.00 22.21 C ATOM 88 O PRO A 7 3.772 11.400 3.237 1.00 54.51 O ATOM 89 CB PRO A 7 4.707 11.665 0.127 1.00 20.44 C ATOM 90 CG PRO A 7 6.028 11.668 0.808 1.00 64.11 C ATOM 91 CD PRO A 7 6.157 13.038 1.423 1.00 34.34 C ATOM 0 HA PRO A 7 2.964 12.926 0.593 1.00 22.22 H new ATOM 0 HB2 PRO A 7 4.333 10.652 -0.021 1.00 20.44 H new ATOM 0 HB3 PRO A 7 4.760 12.132 -0.856 1.00 20.44 H new ATOM 0 HG2 PRO A 7 6.080 10.889 1.569 1.00 64.11 H new ATOM 0 HG3 PRO A 7 6.835 11.477 0.101 1.00 64.11 H new ATOM 0 HD2 PRO A 7 6.726 13.012 2.353 1.00 34.34 H new ATOM 0 HD3 PRO A 7 6.667 13.734 0.757 1.00 34.34 H new ATOM 96 N ARG A 8 2.083 10.950 1.836 1.00 61.01 N ATOM 97 CA ARG A 8 1.396 10.104 2.800 1.00 52.23 C ATOM 98 C ARG A 8 2.006 8.707 2.850 1.00 60.33 C ATOM 99 O ARG A 8 1.833 7.992 3.834 1.00 60.32 O ATOM 100 CB ARG A 8 -0.094 10.045 2.479 1.00 70.04 C ATOM 101 CG ARG A 8 -0.843 11.321 2.842 1.00 33.43 C ATOM 102 CD ARG A 8 -2.235 11.335 2.239 1.00 11.32 C ATOM 103 NE ARG A 8 -3.095 12.360 2.830 1.00 42.13 N ATOM 104 CZ ARG A 8 -3.722 13.309 2.132 1.00 3.03 C ATOM 105 NH1 ARG A 8 -3.450 13.482 0.841 1.00 22.02 N ATOM 106 NH2 ARG A 8 -4.611 14.088 2.733 1.00 54.04 N ATOM 0 H ARG A 8 1.619 11.029 0.931 1.00 61.01 H new ATOM 0 HA ARG A 8 1.519 10.544 3.790 1.00 52.23 H new ATOM 0 HB2 ARG A 8 -0.221 9.849 1.414 1.00 70.04 H new ATOM 0 HB3 ARG A 8 -0.540 9.206 3.013 1.00 70.04 H new ATOM 0 HG2 ARG A 8 -0.913 11.408 3.926 1.00 33.43 H new ATOM 0 HG3 ARG A 8 -0.283 12.187 2.489 1.00 33.43 H new ATOM 0 HD2 ARG A 8 -2.160 11.505 1.165 1.00 11.32 H new ATOM 0 HD3 ARG A 8 -2.696 10.357 2.376 1.00 11.32 H new ATOM 0 HE ARG A 8 -3.224 12.349 3.842 1.00 42.13 H new ATOM 0 HH11 ARG A 8 -2.760 12.888 0.381 1.00 22.02 H new ATOM 0 HH12 ARG A 8 -3.932 14.209 0.311 1.00 22.02 H new ATOM 0 HH21 ARG A 8 -4.813 13.961 3.725 1.00 54.04 H new ATOM 0 HH22 ARG A 8 -5.093 14.815 2.204 1.00 54.04 H new ATOM 117 N LYS A 9 2.699 8.337 1.775 1.00 3.42 N ATOM 118 CA LYS A 9 3.518 7.123 1.722 1.00 22.42 C ATOM 119 C LYS A 9 2.688 5.838 1.857 1.00 42.15 C ATOM 120 O LYS A 9 2.176 5.511 2.930 1.00 51.14 O ATOM 121 CB LYS A 9 4.601 7.168 2.806 1.00 30.31 C ATOM 122 CG LYS A 9 5.960 6.651 2.355 1.00 62.43 C ATOM 123 CD LYS A 9 5.904 5.193 1.924 1.00 21.44 C ATOM 124 CE LYS A 9 7.278 4.679 1.526 1.00 12.43 C ATOM 125 NZ LYS A 9 8.204 4.568 2.687 1.00 32.50 N ATOM 0 H LYS A 9 2.709 8.874 0.908 1.00 3.42 H new ATOM 0 HA LYS A 9 3.984 7.098 0.737 1.00 22.42 H new ATOM 0 HB2 LYS A 9 4.712 8.196 3.150 1.00 30.31 H new ATOM 0 HB3 LYS A 9 4.267 6.580 3.661 1.00 30.31 H new ATOM 0 HG2 LYS A 9 6.322 7.260 1.526 1.00 62.43 H new ATOM 0 HG3 LYS A 9 6.677 6.761 3.168 1.00 62.43 H new ATOM 0 HD2 LYS A 9 5.509 4.586 2.739 1.00 21.44 H new ATOM 0 HD3 LYS A 9 5.217 5.086 1.085 1.00 21.44 H new ATOM 0 HE2 LYS A 9 7.174 3.702 1.054 1.00 12.43 H new ATOM 0 HE3 LYS A 9 7.711 5.348 0.783 1.00 12.43 H new ATOM 0 HZ1 LYS A 9 9.150 4.898 2.409 1.00 32.50 H new ATOM 0 HZ2 LYS A 9 7.850 5.152 3.471 1.00 32.50 H new ATOM 0 HZ3 LYS A 9 8.260 3.576 2.993 1.00 32.50 H new ATOM 135 N LEU A 10 2.568 5.114 0.752 1.00 0.25 N ATOM 136 CA LEU A 10 1.918 3.814 0.743 1.00 15.41 C ATOM 137 C LEU A 10 2.944 2.698 0.633 1.00 30.45 C ATOM 138 O LEU A 10 3.862 2.752 -0.190 1.00 3.12 O ATOM 139 CB LEU A 10 0.935 3.703 -0.421 1.00 21.43 C ATOM 140 CG LEU A 10 -0.397 4.412 -0.221 1.00 41.15 C ATOM 141 CD1 LEU A 10 -1.255 4.261 -1.461 1.00 52.21 C ATOM 142 CD2 LEU A 10 -1.123 3.853 0.991 1.00 21.42 C ATOM 0 H LEU A 10 2.918 5.411 -0.159 1.00 0.25 H new ATOM 0 HA LEU A 10 1.375 3.715 1.683 1.00 15.41 H new ATOM 0 HB2 LEU A 10 1.411 4.105 -1.316 1.00 21.43 H new ATOM 0 HB3 LEU A 10 0.740 2.647 -0.611 1.00 21.43 H new ATOM 0 HG LEU A 10 -0.205 5.471 -0.049 1.00 41.15 H new ATOM 0 HD11 LEU A 10 -2.206 4.771 -1.310 1.00 52.21 H new ATOM 0 HD12 LEU A 10 -0.740 4.700 -2.316 1.00 52.21 H new ATOM 0 HD13 LEU A 10 -1.437 3.203 -1.651 1.00 52.21 H new ATOM 0 HD21 LEU A 10 -2.073 4.372 1.118 1.00 21.42 H new ATOM 0 HD22 LEU A 10 -1.308 2.789 0.845 1.00 21.42 H new ATOM 0 HD23 LEU A 10 -0.510 3.996 1.881 1.00 21.42 H new ATOM 153 N VAL A 11 2.790 1.695 1.475 1.00 15.14 N ATOM 154 CA VAL A 11 3.605 0.497 1.393 1.00 3.33 C ATOM 155 C VAL A 11 2.759 -0.670 0.918 1.00 64.52 C ATOM 156 O VAL A 11 1.665 -0.895 1.421 1.00 50.11 O ATOM 157 CB VAL A 11 4.243 0.140 2.751 1.00 53.12 C ATOM 158 CG1 VAL A 11 4.876 -1.241 2.703 1.00 63.33 C ATOM 159 CG2 VAL A 11 5.276 1.182 3.148 1.00 13.11 C ATOM 0 H VAL A 11 2.103 1.686 2.229 1.00 15.14 H new ATOM 0 HA VAL A 11 4.408 0.696 0.683 1.00 3.33 H new ATOM 0 HB VAL A 11 3.454 0.130 3.503 1.00 53.12 H new ATOM 0 HG11 VAL A 11 5.320 -1.472 3.671 1.00 63.33 H new ATOM 0 HG12 VAL A 11 4.113 -1.983 2.467 1.00 63.33 H new ATOM 0 HG13 VAL A 11 5.650 -1.260 1.936 1.00 63.33 H new ATOM 0 HG21 VAL A 11 5.714 0.912 4.109 1.00 13.11 H new ATOM 0 HG22 VAL A 11 6.059 1.225 2.391 1.00 13.11 H new ATOM 0 HG23 VAL A 11 4.796 2.157 3.229 1.00 13.11 H new ATOM 169 N VAL A 12 3.253 -1.400 -0.057 1.00 13.42 N ATOM 170 CA VAL A 12 2.565 -2.582 -0.536 1.00 13.24 C ATOM 171 C VAL A 12 3.185 -3.825 0.081 1.00 63.23 C ATOM 172 O VAL A 12 4.324 -4.184 -0.229 1.00 2.41 O ATOM 173 CB VAL A 12 2.619 -2.703 -2.072 1.00 71.34 C ATOM 174 CG1 VAL A 12 1.888 -3.951 -2.534 1.00 62.04 C ATOM 175 CG2 VAL A 12 2.037 -1.471 -2.733 1.00 11.22 C ATOM 0 H VAL A 12 4.130 -1.197 -0.536 1.00 13.42 H new ATOM 0 HA VAL A 12 1.520 -2.490 -0.240 1.00 13.24 H new ATOM 0 HB VAL A 12 3.665 -2.784 -2.369 1.00 71.34 H new ATOM 0 HG11 VAL A 12 1.937 -4.020 -3.621 1.00 62.04 H new ATOM 0 HG12 VAL A 12 2.356 -4.831 -2.093 1.00 62.04 H new ATOM 0 HG13 VAL A 12 0.845 -3.899 -2.220 1.00 62.04 H new ATOM 0 HG21 VAL A 12 2.087 -1.581 -3.816 1.00 11.22 H new ATOM 0 HG22 VAL A 12 0.997 -1.351 -2.428 1.00 11.22 H new ATOM 0 HG23 VAL A 12 2.607 -0.592 -2.431 1.00 11.22 H new ATOM 185 N TYR A 13 2.451 -4.457 0.978 1.00 43.31 N ATOM 186 CA TYR A 13 2.904 -5.696 1.580 1.00 52.50 C ATOM 187 C TYR A 13 2.552 -6.872 0.684 1.00 32.04 C ATOM 188 O TYR A 13 1.382 -7.108 0.377 1.00 24.52 O ATOM 189 CB TYR A 13 2.291 -5.897 2.965 1.00 21.44 C ATOM 190 CG TYR A 13 2.869 -5.006 4.040 1.00 3.33 C ATOM 191 CD1 TYR A 13 4.236 -4.766 4.111 1.00 71.52 C ATOM 192 CD2 TYR A 13 2.047 -4.414 4.989 1.00 41.24 C ATOM 193 CE1 TYR A 13 4.768 -3.960 5.100 1.00 32.05 C ATOM 194 CE2 TYR A 13 2.573 -3.608 5.981 1.00 21.45 C ATOM 195 CZ TYR A 13 3.933 -3.383 6.033 1.00 4.15 C ATOM 196 OH TYR A 13 4.461 -2.581 7.021 1.00 24.53 O ATOM 0 H TYR A 13 1.541 -4.133 1.305 1.00 43.31 H new ATOM 0 HA TYR A 13 3.987 -5.638 1.693 1.00 52.50 H new ATOM 0 HB2 TYR A 13 1.217 -5.720 2.903 1.00 21.44 H new ATOM 0 HB3 TYR A 13 2.426 -6.937 3.261 1.00 21.44 H new ATOM 0 HD1 TYR A 13 4.893 -5.216 3.382 1.00 71.52 H new ATOM 0 HD2 TYR A 13 0.981 -4.586 4.952 1.00 41.24 H new ATOM 0 HE1 TYR A 13 5.833 -3.783 5.142 1.00 32.05 H new ATOM 0 HE2 TYR A 13 1.921 -3.156 6.713 1.00 21.45 H new ATOM 0 HH TYR A 13 3.739 -2.252 7.596 1.00 24.53 H new ATOM 205 N GLY A 14 3.572 -7.595 0.261 1.00 63.02 N ATOM 206 CA GLY A 14 3.364 -8.756 -0.576 1.00 33.23 C ATOM 207 C GLY A 14 4.268 -9.893 -0.165 1.00 45.45 C ATOM 208 O GLY A 14 5.152 -9.708 0.663 1.00 52.02 O ATOM 0 H GLY A 14 4.548 -7.398 0.483 1.00 63.02 H new ATOM 0 HA2 GLY A 14 2.323 -9.073 -0.511 1.00 33.23 H new ATOM 0 HA3 GLY A 14 3.553 -8.496 -1.617 1.00 33.23 H new ATOM 212 N ARG A 15 4.045 -11.070 -0.720 1.00 71.13 N ATOM 213 CA ARG A 15 4.888 -12.214 -0.417 1.00 61.12 C ATOM 214 C ARG A 15 5.243 -12.972 -1.682 1.00 73.11 C ATOM 215 O ARG A 15 4.356 -13.398 -2.423 1.00 11.34 O ATOM 216 CB ARG A 15 4.203 -13.160 0.576 1.00 21.42 C ATOM 217 CG ARG A 15 2.800 -13.571 0.161 1.00 75.15 C ATOM 218 CD ARG A 15 2.297 -14.760 0.958 1.00 72.54 C ATOM 219 NE ARG A 15 3.001 -15.995 0.613 1.00 75.23 N ATOM 220 CZ ARG A 15 2.597 -17.210 0.983 1.00 13.15 C ATOM 221 NH1 ARG A 15 1.507 -17.362 1.719 1.00 63.22 N ATOM 222 NH2 ARG A 15 3.295 -18.274 0.610 1.00 61.42 N ATOM 0 H ARG A 15 3.291 -11.260 -1.380 1.00 71.13 H new ATOM 0 HA ARG A 15 5.803 -11.834 0.038 1.00 61.12 H new ATOM 0 HB2 ARG A 15 4.814 -14.055 0.692 1.00 21.42 H new ATOM 0 HB3 ARG A 15 4.157 -12.676 1.552 1.00 21.42 H new ATOM 0 HG2 ARG A 15 2.121 -12.730 0.297 1.00 75.15 H new ATOM 0 HG3 ARG A 15 2.793 -13.817 -0.901 1.00 75.15 H new ATOM 0 HD2 ARG A 15 2.419 -14.559 2.022 1.00 72.54 H new ATOM 0 HD3 ARG A 15 1.230 -14.890 0.779 1.00 72.54 H new ATOM 0 HE ARG A 15 3.852 -15.922 0.056 1.00 75.23 H new ATOM 0 HH11 ARG A 15 0.969 -16.545 2.008 1.00 63.22 H new ATOM 0 HH12 ARG A 15 1.206 -18.296 1.997 1.00 63.22 H new ATOM 0 HH21 ARG A 15 4.135 -18.160 0.043 1.00 61.42 H new ATOM 0 HH22 ARG A 15 2.991 -19.207 0.890 1.00 61.42 H new ATOM 233 N GLU A 16 6.545 -13.121 -1.910 1.00 30.13 N ATOM 234 CA GLU A 16 7.078 -13.905 -3.024 1.00 41.10 C ATOM 235 C GLU A 16 6.647 -13.352 -4.389 1.00 60.32 C ATOM 236 O GLU A 16 7.402 -12.620 -5.029 1.00 43.11 O ATOM 237 CB GLU A 16 6.669 -15.369 -2.851 1.00 51.05 C ATOM 238 CG GLU A 16 7.146 -15.947 -1.524 1.00 44.53 C ATOM 239 CD GLU A 16 6.451 -17.236 -1.141 1.00 3.13 C ATOM 240 OE1 GLU A 16 5.326 -17.167 -0.611 1.00 41.34 O ATOM 241 OE2 GLU A 16 7.043 -18.317 -1.328 1.00 30.44 O ATOM 0 H GLU A 16 7.266 -12.699 -1.324 1.00 30.13 H new ATOM 0 HA GLU A 16 8.165 -13.833 -3.006 1.00 41.10 H new ATOM 0 HB2 GLU A 16 5.584 -15.451 -2.912 1.00 51.05 H new ATOM 0 HB3 GLU A 16 7.080 -15.959 -3.671 1.00 51.05 H new ATOM 0 HG2 GLU A 16 8.220 -16.125 -1.580 1.00 44.53 H new ATOM 0 HG3 GLU A 16 6.986 -15.210 -0.737 1.00 44.53 H new ATOM 246 N GLY A 17 5.442 -13.686 -4.823 1.00 44.12 N ATOM 247 CA GLY A 17 4.961 -13.213 -6.104 1.00 5.13 C ATOM 248 C GLY A 17 3.453 -13.298 -6.216 1.00 34.45 C ATOM 249 O GLY A 17 2.848 -14.266 -5.754 1.00 15.24 O ATOM 0 H GLY A 17 4.787 -14.277 -4.311 1.00 44.12 H new ATOM 0 HA2 GLY A 17 5.277 -12.180 -6.250 1.00 5.13 H new ATOM 0 HA3 GLY A 17 5.416 -13.801 -6.901 1.00 5.13 H new ATOM 253 N CYS A 18 2.844 -12.278 -6.806 1.00 73.02 N ATOM 254 CA CYS A 18 1.399 -12.247 -7.003 1.00 72.15 C ATOM 255 C CYS A 18 1.059 -11.470 -8.273 1.00 32.12 C ATOM 256 O CYS A 18 1.312 -10.269 -8.354 1.00 22.43 O ATOM 257 CB CYS A 18 0.702 -11.596 -5.801 1.00 24.42 C ATOM 258 SG CYS A 18 1.005 -12.419 -4.218 1.00 51.32 S ATOM 0 H CYS A 18 3.332 -11.455 -7.159 1.00 73.02 H new ATOM 0 HA CYS A 18 1.046 -13.274 -7.101 1.00 72.15 H new ATOM 0 HB2 CYS A 18 1.030 -10.559 -5.725 1.00 24.42 H new ATOM 0 HB3 CYS A 18 -0.372 -11.578 -5.986 1.00 24.42 H new ATOM 0 HG CYS A 18 1.787 -13.441 -4.403 1.00 51.32 H new ATOM 263 N HIS A 19 0.483 -12.158 -9.253 1.00 1.10 N ATOM 264 CA HIS A 19 0.137 -11.542 -10.537 1.00 63.11 C ATOM 265 C HIS A 19 -0.777 -10.335 -10.339 1.00 61.25 C ATOM 266 O HIS A 19 -0.552 -9.270 -10.911 1.00 53.24 O ATOM 267 CB HIS A 19 -0.551 -12.571 -11.441 1.00 20.10 C ATOM 268 CG HIS A 19 -0.868 -12.064 -12.819 1.00 42.31 C ATOM 269 ND1 HIS A 19 -2.018 -11.364 -13.125 1.00 53.43 N ATOM 270 CD2 HIS A 19 -0.180 -12.168 -13.981 1.00 22.04 C ATOM 271 CE1 HIS A 19 -2.023 -11.065 -14.410 1.00 61.42 C ATOM 272 NE2 HIS A 19 -0.920 -11.541 -14.951 1.00 1.42 N ATOM 0 H HIS A 19 0.243 -13.147 -9.186 1.00 1.10 H new ATOM 0 HA HIS A 19 1.058 -11.200 -11.009 1.00 63.11 H new ATOM 0 HB2 HIS A 19 0.090 -13.449 -11.527 1.00 20.10 H new ATOM 0 HB3 HIS A 19 -1.475 -12.897 -10.964 1.00 20.10 H new ATOM 0 HD1 HIS A 19 -2.751 -11.116 -12.460 1.00 53.43 H new ATOM 0 HD2 HIS A 19 0.774 -12.654 -14.118 1.00 22.04 H new ATOM 0 HE1 HIS A 19 -2.799 -10.523 -14.930 1.00 61.42 H new ATOM 279 N LEU A 20 -1.799 -10.516 -9.519 1.00 43.33 N ATOM 280 CA LEU A 20 -2.784 -9.471 -9.264 1.00 23.01 C ATOM 281 C LEU A 20 -2.130 -8.265 -8.577 1.00 61.23 C ATOM 282 O LEU A 20 -2.529 -7.120 -8.793 1.00 50.10 O ATOM 283 CB LEU A 20 -3.928 -10.055 -8.416 1.00 34.33 C ATOM 284 CG LEU A 20 -5.224 -9.237 -8.350 1.00 63.12 C ATOM 285 CD1 LEU A 20 -5.171 -8.221 -7.227 1.00 61.44 C ATOM 286 CD2 LEU A 20 -5.499 -8.544 -9.676 1.00 4.34 C ATOM 0 H LEU A 20 -1.971 -11.385 -9.013 1.00 43.33 H new ATOM 0 HA LEU A 20 -3.195 -9.116 -10.209 1.00 23.01 H new ATOM 0 HB2 LEU A 20 -4.169 -11.044 -8.805 1.00 34.33 H new ATOM 0 HB3 LEU A 20 -3.561 -10.194 -7.399 1.00 34.33 H new ATOM 0 HG LEU A 20 -6.041 -9.930 -8.147 1.00 63.12 H new ATOM 0 HD11 LEU A 20 -6.103 -7.656 -7.204 1.00 61.44 H new ATOM 0 HD12 LEU A 20 -5.035 -8.736 -6.276 1.00 61.44 H new ATOM 0 HD13 LEU A 20 -4.337 -7.539 -7.392 1.00 61.44 H new ATOM 0 HD21 LEU A 20 -6.423 -7.971 -9.602 1.00 4.34 H new ATOM 0 HD22 LEU A 20 -4.674 -7.873 -9.914 1.00 4.34 H new ATOM 0 HD23 LEU A 20 -5.597 -9.291 -10.464 1.00 4.34 H new ATOM 297 N CYS A 21 -1.113 -8.525 -7.764 1.00 50.01 N ATOM 298 CA CYS A 21 -0.412 -7.462 -7.053 1.00 13.31 C ATOM 299 C CYS A 21 0.353 -6.574 -8.034 1.00 32.44 C ATOM 300 O CYS A 21 0.393 -5.353 -7.877 1.00 54.40 O ATOM 301 CB CYS A 21 0.546 -8.053 -6.017 1.00 62.23 C ATOM 302 SG CYS A 21 1.401 -6.822 -5.003 1.00 42.24 S ATOM 0 H CYS A 21 -0.755 -9.462 -7.581 1.00 50.01 H new ATOM 0 HA CYS A 21 -1.151 -6.851 -6.536 1.00 13.31 H new ATOM 0 HB2 CYS A 21 -0.013 -8.721 -5.362 1.00 62.23 H new ATOM 0 HB3 CYS A 21 1.289 -8.661 -6.532 1.00 62.23 H new ATOM 0 HG CYS A 21 2.185 -7.424 -4.158 1.00 42.24 H new ATOM 307 N GLU A 22 0.941 -7.200 -9.052 1.00 70.32 N ATOM 308 CA GLU A 22 1.659 -6.482 -10.104 1.00 0.24 C ATOM 309 C GLU A 22 0.743 -5.449 -10.758 1.00 60.43 C ATOM 310 O GLU A 22 1.151 -4.321 -11.056 1.00 32.40 O ATOM 311 CB GLU A 22 2.147 -7.474 -11.167 1.00 4.52 C ATOM 312 CG GLU A 22 3.045 -8.569 -10.621 1.00 75.40 C ATOM 313 CD GLU A 22 4.433 -8.070 -10.280 1.00 44.12 C ATOM 314 OE1 GLU A 22 4.594 -7.380 -9.257 1.00 2.23 O ATOM 315 OE2 GLU A 22 5.373 -8.359 -11.055 1.00 62.00 O ATOM 0 H GLU A 22 0.934 -8.213 -9.171 1.00 70.32 H new ATOM 0 HA GLU A 22 2.513 -5.971 -9.660 1.00 0.24 H new ATOM 0 HB2 GLU A 22 1.282 -7.932 -11.646 1.00 4.52 H new ATOM 0 HB3 GLU A 22 2.687 -6.927 -11.940 1.00 4.52 H new ATOM 0 HG2 GLU A 22 2.588 -8.997 -9.729 1.00 75.40 H new ATOM 0 HG3 GLU A 22 3.122 -9.370 -11.356 1.00 75.40 H new ATOM 320 N GLU A 23 -0.505 -5.848 -10.952 1.00 32.00 N ATOM 321 CA GLU A 23 -1.502 -5.008 -11.594 1.00 23.50 C ATOM 322 C GLU A 23 -1.887 -3.836 -10.693 1.00 13.44 C ATOM 323 O GLU A 23 -2.154 -2.731 -11.170 1.00 41.01 O ATOM 324 CB GLU A 23 -2.723 -5.856 -11.937 1.00 54.22 C ATOM 325 CG GLU A 23 -2.357 -7.099 -12.726 1.00 22.53 C ATOM 326 CD GLU A 23 -3.552 -7.933 -13.119 1.00 45.12 C ATOM 327 OE1 GLU A 23 -4.265 -7.543 -14.066 1.00 34.53 O ATOM 328 OE2 GLU A 23 -3.777 -8.994 -12.502 1.00 35.43 O ATOM 0 H GLU A 23 -0.854 -6.763 -10.668 1.00 32.00 H new ATOM 0 HA GLU A 23 -1.086 -4.591 -12.511 1.00 23.50 H new ATOM 0 HB2 GLU A 23 -3.230 -6.148 -11.017 1.00 54.22 H new ATOM 0 HB3 GLU A 23 -3.428 -5.257 -12.513 1.00 54.22 H new ATOM 0 HG2 GLU A 23 -1.818 -6.803 -13.626 1.00 22.53 H new ATOM 0 HG3 GLU A 23 -1.676 -7.710 -12.133 1.00 22.53 H new ATOM 333 N MET A 24 -1.893 -4.076 -9.388 1.00 24.13 N ATOM 334 CA MET A 24 -2.167 -3.018 -8.421 1.00 35.25 C ATOM 335 C MET A 24 -1.028 -2.007 -8.419 1.00 12.33 C ATOM 336 O MET A 24 -1.257 -0.798 -8.383 1.00 12.31 O ATOM 337 CB MET A 24 -2.342 -3.588 -7.015 1.00 1.24 C ATOM 338 CG MET A 24 -3.436 -4.630 -6.904 1.00 43.43 C ATOM 339 SD MET A 24 -3.575 -5.308 -5.244 1.00 35.43 S ATOM 340 CE MET A 24 -3.884 -3.824 -4.283 1.00 31.35 C ATOM 0 H MET A 24 -1.712 -4.991 -8.975 1.00 24.13 H new ATOM 0 HA MET A 24 -3.095 -2.527 -8.714 1.00 35.25 H new ATOM 0 HB2 MET A 24 -1.399 -4.030 -6.694 1.00 1.24 H new ATOM 0 HB3 MET A 24 -2.561 -2.771 -6.328 1.00 1.24 H new ATOM 0 HG2 MET A 24 -4.388 -4.185 -7.192 1.00 43.43 H new ATOM 0 HG3 MET A 24 -3.236 -5.438 -7.608 1.00 43.43 H new ATOM 0 HE1 MET A 24 -4.564 -4.056 -3.463 1.00 31.35 H new ATOM 0 HE2 MET A 24 -2.943 -3.450 -3.879 1.00 31.35 H new ATOM 0 HE3 MET A 24 -4.333 -3.063 -4.922 1.00 31.35 H new ATOM 348 N ILE A 25 0.200 -2.519 -8.473 1.00 30.13 N ATOM 349 CA ILE A 25 1.392 -1.679 -8.513 1.00 52.15 C ATOM 350 C ILE A 25 1.325 -0.701 -9.684 1.00 44.13 C ATOM 351 O ILE A 25 1.579 0.492 -9.525 1.00 1.33 O ATOM 352 CB ILE A 25 2.680 -2.527 -8.612 1.00 55.12 C ATOM 353 CG1 ILE A 25 2.845 -3.381 -7.351 1.00 13.03 C ATOM 354 CG2 ILE A 25 3.897 -1.632 -8.833 1.00 40.41 C ATOM 355 CD1 ILE A 25 4.038 -4.304 -7.395 1.00 21.41 C ATOM 0 H ILE A 25 0.395 -3.520 -8.490 1.00 30.13 H new ATOM 0 HA ILE A 25 1.424 -1.117 -7.580 1.00 52.15 H new ATOM 0 HB ILE A 25 2.598 -3.194 -9.470 1.00 55.12 H new ATOM 0 HG12 ILE A 25 2.938 -2.723 -6.487 1.00 13.03 H new ATOM 0 HG13 ILE A 25 1.943 -3.975 -7.204 1.00 13.03 H new ATOM 0 HG21 ILE A 25 4.794 -2.248 -8.900 1.00 40.41 H new ATOM 0 HG22 ILE A 25 3.772 -1.070 -9.759 1.00 40.41 H new ATOM 0 HG23 ILE A 25 3.995 -0.938 -7.998 1.00 40.41 H new ATOM 0 HD11 ILE A 25 4.090 -4.876 -6.469 1.00 21.41 H new ATOM 0 HD12 ILE A 25 3.938 -4.987 -8.238 1.00 21.41 H new ATOM 0 HD13 ILE A 25 4.949 -3.716 -7.510 1.00 21.41 H new ATOM 366 N ALA A 26 0.953 -1.213 -10.852 1.00 3.13 N ATOM 367 CA ALA A 26 0.803 -0.380 -12.039 1.00 14.15 C ATOM 368 C ALA A 26 -0.289 0.668 -11.835 1.00 50.32 C ATOM 369 O ALA A 26 -0.132 1.828 -12.218 1.00 15.11 O ATOM 370 CB ALA A 26 0.503 -1.247 -13.256 1.00 73.34 C ATOM 0 H ALA A 26 0.750 -2.201 -11.002 1.00 3.13 H new ATOM 0 HA ALA A 26 1.741 0.147 -12.212 1.00 14.15 H new ATOM 0 HB1 ALA A 26 0.393 -0.613 -14.136 1.00 73.34 H new ATOM 0 HB2 ALA A 26 1.322 -1.948 -13.414 1.00 73.34 H new ATOM 0 HB3 ALA A 26 -0.421 -1.800 -13.090 1.00 73.34 H new ATOM 376 N SER A 27 -1.384 0.254 -11.210 1.00 62.54 N ATOM 377 CA SER A 27 -2.503 1.146 -10.921 1.00 55.34 C ATOM 378 C SER A 27 -2.056 2.302 -10.021 1.00 34.40 C ATOM 379 O SER A 27 -2.463 3.451 -10.205 1.00 21.22 O ATOM 380 CB SER A 27 -3.631 0.353 -10.247 1.00 11.44 C ATOM 381 OG SER A 27 -4.071 -0.719 -11.073 1.00 73.51 O ATOM 0 H SER A 27 -1.523 -0.705 -10.890 1.00 62.54 H new ATOM 0 HA SER A 27 -2.868 1.567 -11.857 1.00 55.34 H new ATOM 0 HB2 SER A 27 -3.282 -0.040 -9.292 1.00 11.44 H new ATOM 0 HB3 SER A 27 -4.468 1.017 -10.032 1.00 11.44 H new ATOM 0 HG SER A 27 -3.384 -1.417 -11.097 1.00 73.51 H new ATOM 386 N LEU A 28 -1.194 1.992 -9.061 1.00 52.34 N ATOM 387 CA LEU A 28 -0.718 2.983 -8.106 1.00 3.12 C ATOM 388 C LEU A 28 0.230 3.984 -8.758 1.00 32.44 C ATOM 389 O LEU A 28 0.246 5.159 -8.392 1.00 45.32 O ATOM 390 CB LEU A 28 -0.025 2.289 -6.935 1.00 63.30 C ATOM 391 CG LEU A 28 -0.909 1.318 -6.148 1.00 32.43 C ATOM 392 CD1 LEU A 28 -0.090 0.571 -5.108 1.00 41.31 C ATOM 393 CD2 LEU A 28 -2.062 2.058 -5.489 1.00 2.42 C ATOM 0 H LEU A 28 -0.809 1.058 -8.923 1.00 52.34 H new ATOM 0 HA LEU A 28 -1.583 3.536 -7.740 1.00 3.12 H new ATOM 0 HB2 LEU A 28 0.840 1.745 -7.314 1.00 63.30 H new ATOM 0 HB3 LEU A 28 0.352 3.050 -6.252 1.00 63.30 H new ATOM 0 HG LEU A 28 -1.323 0.590 -6.846 1.00 32.43 H new ATOM 0 HD11 LEU A 28 -0.736 -0.114 -4.559 1.00 41.31 H new ATOM 0 HD12 LEU A 28 0.700 0.006 -5.604 1.00 41.31 H new ATOM 0 HD13 LEU A 28 0.355 1.284 -4.414 1.00 41.31 H new ATOM 0 HD21 LEU A 28 -2.679 1.351 -4.934 1.00 2.42 H new ATOM 0 HD22 LEU A 28 -1.668 2.810 -4.805 1.00 2.42 H new ATOM 0 HD23 LEU A 28 -2.667 2.545 -6.254 1.00 2.42 H new ATOM 404 N ARG A 29 1.013 3.526 -9.730 1.00 11.24 N ATOM 405 CA ARG A 29 1.936 4.410 -10.437 1.00 32.55 C ATOM 406 C ARG A 29 1.166 5.501 -11.163 1.00 52.41 C ATOM 407 O ARG A 29 1.576 6.663 -11.175 1.00 72.42 O ATOM 408 CB ARG A 29 2.788 3.635 -11.444 1.00 13.53 C ATOM 409 CG ARG A 29 3.638 2.535 -10.834 1.00 35.35 C ATOM 410 CD ARG A 29 4.534 3.055 -9.721 1.00 44.03 C ATOM 411 NE ARG A 29 5.372 4.177 -10.146 1.00 24.11 N ATOM 412 CZ ARG A 29 6.693 4.228 -9.976 1.00 2.01 C ATOM 413 NH1 ARG A 29 7.355 3.177 -9.504 1.00 21.13 N ATOM 414 NH2 ARG A 29 7.356 5.331 -10.292 1.00 53.32 N ATOM 0 H ARG A 29 1.028 2.556 -10.045 1.00 11.24 H new ATOM 0 HA ARG A 29 2.598 4.858 -9.696 1.00 32.55 H new ATOM 0 HB2 ARG A 29 2.131 3.195 -12.194 1.00 13.53 H new ATOM 0 HB3 ARG A 29 3.441 4.336 -11.964 1.00 13.53 H new ATOM 0 HG2 ARG A 29 2.989 1.752 -10.441 1.00 35.35 H new ATOM 0 HG3 ARG A 29 4.253 2.080 -11.611 1.00 35.35 H new ATOM 0 HD2 ARG A 29 3.916 3.367 -8.879 1.00 44.03 H new ATOM 0 HD3 ARG A 29 5.171 2.245 -9.366 1.00 44.03 H new ATOM 0 HE ARG A 29 4.917 4.969 -10.600 1.00 24.11 H new ATOM 0 HH11 ARG A 29 6.852 2.321 -9.268 1.00 21.13 H new ATOM 0 HH12 ARG A 29 8.366 3.226 -9.377 1.00 21.13 H new ATOM 0 HH21 ARG A 29 6.855 6.138 -10.664 1.00 53.32 H new ATOM 0 HH22 ARG A 29 8.367 5.373 -10.163 1.00 53.32 H new ATOM 425 N VAL A 30 0.046 5.117 -11.763 1.00 53.05 N ATOM 426 CA VAL A 30 -0.798 6.059 -12.486 1.00 64.22 C ATOM 427 C VAL A 30 -1.428 7.069 -11.530 1.00 44.14 C ATOM 428 O VAL A 30 -1.451 8.267 -11.813 1.00 11.14 O ATOM 429 CB VAL A 30 -1.911 5.332 -13.272 1.00 52.54 C ATOM 430 CG1 VAL A 30 -2.787 6.328 -14.023 1.00 43.14 C ATOM 431 CG2 VAL A 30 -1.303 4.323 -14.230 1.00 3.22 C ATOM 0 H VAL A 30 -0.299 4.157 -11.763 1.00 53.05 H new ATOM 0 HA VAL A 30 -0.158 6.585 -13.194 1.00 64.22 H new ATOM 0 HB VAL A 30 -2.543 4.800 -12.561 1.00 52.54 H new ATOM 0 HG11 VAL A 30 -3.563 5.791 -14.568 1.00 43.14 H new ATOM 0 HG12 VAL A 30 -3.250 7.013 -13.313 1.00 43.14 H new ATOM 0 HG13 VAL A 30 -2.175 6.893 -14.726 1.00 43.14 H new ATOM 0 HG21 VAL A 30 -2.098 3.817 -14.778 1.00 3.22 H new ATOM 0 HG22 VAL A 30 -0.648 4.838 -14.933 1.00 3.22 H new ATOM 0 HG23 VAL A 30 -0.726 3.589 -13.667 1.00 3.22 H new ATOM 441 N LEU A 31 -1.921 6.587 -10.390 1.00 70.33 N ATOM 442 CA LEU A 31 -2.529 7.463 -9.389 1.00 13.42 C ATOM 443 C LEU A 31 -1.516 8.455 -8.835 1.00 53.32 C ATOM 444 O LEU A 31 -1.867 9.590 -8.529 1.00 11.51 O ATOM 445 CB LEU A 31 -3.149 6.661 -8.242 1.00 22.10 C ATOM 446 CG LEU A 31 -4.660 6.433 -8.343 1.00 50.12 C ATOM 447 CD1 LEU A 31 -5.169 5.731 -7.092 1.00 0.53 C ATOM 448 CD2 LEU A 31 -5.391 7.758 -8.537 1.00 22.40 C ATOM 0 H LEU A 31 -1.912 5.599 -10.137 1.00 70.33 H new ATOM 0 HA LEU A 31 -3.322 8.016 -9.892 1.00 13.42 H new ATOM 0 HB2 LEU A 31 -2.655 5.691 -8.191 1.00 22.10 H new ATOM 0 HB3 LEU A 31 -2.938 7.176 -7.305 1.00 22.10 H new ATOM 0 HG LEU A 31 -4.857 5.800 -9.208 1.00 50.12 H new ATOM 0 HD11 LEU A 31 -6.244 5.574 -7.175 1.00 0.53 H new ATOM 0 HD12 LEU A 31 -4.669 4.768 -6.986 1.00 0.53 H new ATOM 0 HD13 LEU A 31 -4.959 6.347 -6.218 1.00 0.53 H new ATOM 0 HD21 LEU A 31 -6.463 7.575 -8.607 1.00 22.40 H new ATOM 0 HD22 LEU A 31 -5.189 8.413 -7.689 1.00 22.40 H new ATOM 0 HD23 LEU A 31 -5.044 8.234 -9.454 1.00 22.40 H new ATOM 459 N GLN A 32 -0.263 8.029 -8.732 1.00 54.12 N ATOM 460 CA GLN A 32 0.810 8.892 -8.237 1.00 3.51 C ATOM 461 C GLN A 32 0.969 10.148 -9.090 1.00 63.23 C ATOM 462 O GLN A 32 1.451 11.174 -8.614 1.00 44.44 O ATOM 463 CB GLN A 32 2.131 8.128 -8.214 1.00 61.24 C ATOM 464 CG GLN A 32 2.356 7.315 -6.950 1.00 14.33 C ATOM 465 CD GLN A 32 3.594 6.444 -7.037 1.00 62.42 C ATOM 466 OE1 GLN A 32 4.536 6.752 -7.764 1.00 62.50 O ATOM 467 NE2 GLN A 32 3.613 5.369 -6.273 1.00 53.03 N ATOM 0 H GLN A 32 0.039 7.088 -8.985 1.00 54.12 H new ATOM 0 HA GLN A 32 0.539 9.199 -7.227 1.00 3.51 H new ATOM 0 HB2 GLN A 32 2.167 7.459 -9.074 1.00 61.24 H new ATOM 0 HB3 GLN A 32 2.951 8.837 -8.327 1.00 61.24 H new ATOM 0 HG2 GLN A 32 2.449 7.990 -6.099 1.00 14.33 H new ATOM 0 HG3 GLN A 32 1.485 6.686 -6.765 1.00 14.33 H new ATOM 0 HE21 GLN A 32 2.810 5.148 -5.683 1.00 53.03 H new ATOM 0 HE22 GLN A 32 4.430 4.759 -6.272 1.00 53.03 H new ATOM 474 N LYS A 33 0.559 10.062 -10.347 1.00 43.11 N ATOM 475 CA LYS A 33 0.670 11.188 -11.260 1.00 51.31 C ATOM 476 C LYS A 33 -0.396 12.236 -10.957 1.00 1.22 C ATOM 477 O LYS A 33 -0.274 13.397 -11.346 1.00 42.10 O ATOM 478 CB LYS A 33 0.552 10.710 -12.701 1.00 73.14 C ATOM 479 CG LYS A 33 1.533 9.604 -13.034 1.00 70.41 C ATOM 480 CD LYS A 33 1.670 9.416 -14.528 1.00 54.13 C ATOM 481 CE LYS A 33 0.350 9.042 -15.175 1.00 74.54 C ATOM 482 NZ LYS A 33 0.493 8.821 -16.635 1.00 42.13 N ATOM 0 H LYS A 33 0.147 9.224 -10.757 1.00 43.11 H new ATOM 0 HA LYS A 33 1.648 11.648 -11.123 1.00 51.31 H new ATOM 0 HB2 LYS A 33 -0.463 10.355 -12.880 1.00 73.14 H new ATOM 0 HB3 LYS A 33 0.718 11.552 -13.373 1.00 73.14 H new ATOM 0 HG2 LYS A 33 2.507 9.839 -12.605 1.00 70.41 H new ATOM 0 HG3 LYS A 33 1.200 8.672 -12.578 1.00 70.41 H new ATOM 0 HD2 LYS A 33 2.046 10.335 -14.976 1.00 54.13 H new ATOM 0 HD3 LYS A 33 2.406 8.638 -14.730 1.00 54.13 H new ATOM 0 HE2 LYS A 33 -0.040 8.138 -14.707 1.00 74.54 H new ATOM 0 HE3 LYS A 33 -0.379 9.833 -14.997 1.00 74.54 H new ATOM 0 HZ1 LYS A 33 -0.431 8.567 -17.040 1.00 42.13 H new ATOM 0 HZ2 LYS A 33 0.841 9.691 -17.085 1.00 42.13 H new ATOM 0 HZ3 LYS A 33 1.169 8.049 -16.805 1.00 42.13 H new ATOM 492 N LYS A 34 -1.435 11.812 -10.254 1.00 43.13 N ATOM 493 CA LYS A 34 -2.515 12.703 -9.857 1.00 24.44 C ATOM 494 C LYS A 34 -2.341 13.102 -8.394 1.00 10.10 C ATOM 495 O LYS A 34 -2.453 14.275 -8.034 1.00 51.25 O ATOM 496 CB LYS A 34 -3.867 12.011 -10.056 1.00 72.34 C ATOM 497 CG LYS A 34 -4.130 11.596 -11.496 1.00 11.45 C ATOM 498 CD LYS A 34 -5.316 10.652 -11.597 1.00 71.11 C ATOM 499 CE LYS A 34 -5.547 10.194 -13.028 1.00 21.20 C ATOM 500 NZ LYS A 34 -6.146 11.262 -13.873 1.00 40.41 N ATOM 0 H LYS A 34 -1.553 10.847 -9.944 1.00 43.13 H new ATOM 0 HA LYS A 34 -2.485 13.599 -10.477 1.00 24.44 H new ATOM 0 HB2 LYS A 34 -3.912 11.128 -9.418 1.00 72.34 H new ATOM 0 HB3 LYS A 34 -4.661 12.682 -9.729 1.00 72.34 H new ATOM 0 HG2 LYS A 34 -4.317 12.482 -12.103 1.00 11.45 H new ATOM 0 HG3 LYS A 34 -3.243 11.112 -11.904 1.00 11.45 H new ATOM 0 HD2 LYS A 34 -5.146 9.784 -10.960 1.00 71.11 H new ATOM 0 HD3 LYS A 34 -6.211 11.150 -11.225 1.00 71.11 H new ATOM 0 HE2 LYS A 34 -4.599 9.878 -13.464 1.00 21.20 H new ATOM 0 HE3 LYS A 34 -6.203 9.324 -13.027 1.00 21.20 H new ATOM 0 HZ1 LYS A 34 -6.285 10.903 -14.839 1.00 40.41 H new ATOM 0 HZ2 LYS A 34 -7.063 11.547 -13.474 1.00 40.41 H new ATOM 0 HZ3 LYS A 34 -5.509 12.084 -13.897 1.00 40.41 H new ATOM 510 N SER A 35 -2.031 12.108 -7.571 1.00 51.15 N ATOM 511 CA SER A 35 -1.851 12.299 -6.142 1.00 34.30 C ATOM 512 C SER A 35 -0.656 11.474 -5.661 1.00 64.23 C ATOM 513 O SER A 35 -0.648 10.251 -5.804 1.00 32.23 O ATOM 514 CB SER A 35 -3.127 11.879 -5.398 1.00 13.30 C ATOM 515 OG SER A 35 -4.278 12.483 -5.977 1.00 4.43 O ATOM 0 H SER A 35 -1.898 11.145 -7.879 1.00 51.15 H new ATOM 0 HA SER A 35 -1.657 13.352 -5.936 1.00 34.30 H new ATOM 0 HB2 SER A 35 -3.228 10.794 -5.426 1.00 13.30 H new ATOM 0 HB3 SER A 35 -3.051 12.165 -4.349 1.00 13.30 H new ATOM 0 HG SER A 35 -5.078 12.199 -5.487 1.00 4.43 H new ATOM 520 N TRP A 36 0.350 12.133 -5.097 1.00 1.22 N ATOM 521 CA TRP A 36 1.578 11.440 -4.724 1.00 62.24 C ATOM 522 C TRP A 36 1.443 10.774 -3.362 1.00 64.51 C ATOM 523 O TRP A 36 1.138 11.422 -2.357 1.00 41.44 O ATOM 524 CB TRP A 36 2.783 12.385 -4.712 1.00 14.45 C ATOM 525 CG TRP A 36 4.088 11.647 -4.647 1.00 14.55 C ATOM 526 CD1 TRP A 36 4.858 11.427 -3.541 1.00 25.20 C ATOM 527 CD2 TRP A 36 4.766 11.010 -5.738 1.00 30.51 C ATOM 528 NE1 TRP A 36 5.970 10.695 -3.878 1.00 44.34 N ATOM 529 CE2 TRP A 36 5.937 10.431 -5.218 1.00 4.45 C ATOM 530 CE3 TRP A 36 4.500 10.875 -7.106 1.00 63.24 C ATOM 531 CZ2 TRP A 36 6.838 9.728 -6.012 1.00 41.42 C ATOM 532 CZ3 TRP A 36 5.397 10.176 -7.893 1.00 62.21 C ATOM 533 CH2 TRP A 36 6.554 9.610 -7.344 1.00 25.41 C ATOM 0 H TRP A 36 0.341 13.132 -4.890 1.00 1.22 H new ATOM 0 HA TRP A 36 1.746 10.674 -5.481 1.00 62.24 H new ATOM 0 HB2 TRP A 36 2.764 13.005 -5.608 1.00 14.45 H new ATOM 0 HB3 TRP A 36 2.706 13.057 -3.857 1.00 14.45 H new ATOM 0 HD1 TRP A 36 4.626 11.778 -2.546 1.00 25.20 H new ATOM 0 HE1 TRP A 36 6.702 10.397 -3.233 1.00 44.34 H new ATOM 0 HE3 TRP A 36 3.611 11.309 -7.539 1.00 63.24 H new ATOM 0 HZ2 TRP A 36 7.731 9.291 -5.590 1.00 41.42 H new ATOM 0 HZ3 TRP A 36 5.202 10.065 -8.949 1.00 62.21 H new ATOM 0 HH2 TRP A 36 7.235 9.070 -7.985 1.00 25.41 H new ATOM 543 N PHE A 37 1.684 9.477 -3.329 1.00 22.20 N ATOM 544 CA PHE A 37 1.643 8.734 -2.084 1.00 61.11 C ATOM 545 C PHE A 37 2.825 7.788 -1.965 1.00 13.32 C ATOM 546 O PHE A 37 2.834 6.928 -1.100 1.00 62.42 O ATOM 547 CB PHE A 37 0.324 7.958 -1.958 1.00 75.41 C ATOM 548 CG PHE A 37 -0.110 7.255 -3.215 1.00 62.15 C ATOM 549 CD1 PHE A 37 0.571 6.145 -3.691 1.00 71.14 C ATOM 550 CD2 PHE A 37 -1.224 7.699 -3.908 1.00 72.22 C ATOM 551 CE1 PHE A 37 0.150 5.497 -4.836 1.00 34.33 C ATOM 552 CE2 PHE A 37 -1.646 7.058 -5.054 1.00 35.44 C ATOM 553 CZ PHE A 37 -0.960 5.953 -5.517 1.00 24.52 C ATOM 0 H PHE A 37 1.910 8.916 -4.150 1.00 22.20 H new ATOM 0 HA PHE A 37 1.704 9.454 -1.268 1.00 61.11 H new ATOM 0 HB2 PHE A 37 0.426 7.221 -1.161 1.00 75.41 H new ATOM 0 HB3 PHE A 37 -0.462 8.649 -1.654 1.00 75.41 H new ATOM 0 HD1 PHE A 37 1.440 5.783 -3.161 1.00 71.14 H new ATOM 0 HD2 PHE A 37 -1.769 8.558 -3.546 1.00 72.22 H new ATOM 0 HE1 PHE A 37 0.689 4.634 -5.198 1.00 34.33 H new ATOM 0 HE2 PHE A 37 -2.512 7.420 -5.588 1.00 35.44 H new ATOM 0 HZ PHE A 37 -1.292 5.446 -6.411 1.00 24.52 H new ATOM 562 N GLU A 38 3.832 7.971 -2.816 1.00 25.14 N ATOM 563 CA GLU A 38 5.008 7.093 -2.827 1.00 1.35 C ATOM 564 C GLU A 38 4.625 5.644 -3.126 1.00 21.04 C ATOM 565 O GLU A 38 3.452 5.305 -3.257 1.00 60.41 O ATOM 566 CB GLU A 38 5.753 7.152 -1.489 1.00 72.21 C ATOM 567 CG GLU A 38 6.469 8.463 -1.248 1.00 24.25 C ATOM 568 CD GLU A 38 7.854 8.495 -1.856 1.00 50.42 C ATOM 569 OE1 GLU A 38 8.717 7.708 -1.417 1.00 14.43 O ATOM 570 OE2 GLU A 38 8.093 9.328 -2.756 1.00 62.41 O ATOM 0 H GLU A 38 3.861 8.719 -3.509 1.00 25.14 H new ATOM 0 HA GLU A 38 5.663 7.454 -3.620 1.00 1.35 H new ATOM 0 HB2 GLU A 38 5.042 6.982 -0.680 1.00 72.21 H new ATOM 0 HB3 GLU A 38 6.479 6.340 -1.451 1.00 72.21 H new ATOM 0 HG2 GLU A 38 5.876 9.277 -1.664 1.00 24.25 H new ATOM 0 HG3 GLU A 38 6.544 8.639 -0.175 1.00 24.25 H new ATOM 575 N LEU A 39 5.626 4.796 -3.270 1.00 45.05 N ATOM 576 CA LEU A 39 5.383 3.375 -3.425 1.00 61.22 C ATOM 577 C LEU A 39 6.552 2.567 -2.884 1.00 24.21 C ATOM 578 O LEU A 39 7.655 2.611 -3.425 1.00 2.13 O ATOM 579 CB LEU A 39 5.113 3.026 -4.888 1.00 51.42 C ATOM 580 CG LEU A 39 4.417 1.684 -5.113 1.00 13.43 C ATOM 581 CD1 LEU A 39 3.263 1.518 -4.139 1.00 34.03 C ATOM 582 CD2 LEU A 39 3.910 1.589 -6.542 1.00 1.53 C ATOM 0 H LEU A 39 6.610 5.065 -3.283 1.00 45.05 H new ATOM 0 HA LEU A 39 4.495 3.118 -2.847 1.00 61.22 H new ATOM 0 HB2 LEU A 39 4.501 3.814 -5.327 1.00 51.42 H new ATOM 0 HB3 LEU A 39 6.061 3.022 -5.426 1.00 51.42 H new ATOM 0 HG LEU A 39 5.138 0.885 -4.941 1.00 13.43 H new ATOM 0 HD11 LEU A 39 2.777 0.558 -4.311 1.00 34.03 H new ATOM 0 HD12 LEU A 39 3.641 1.555 -3.117 1.00 34.03 H new ATOM 0 HD13 LEU A 39 2.542 2.322 -4.289 1.00 34.03 H new ATOM 0 HD21 LEU A 39 3.416 0.629 -6.690 1.00 1.53 H new ATOM 0 HD22 LEU A 39 3.200 2.395 -6.731 1.00 1.53 H new ATOM 0 HD23 LEU A 39 4.749 1.676 -7.232 1.00 1.53 H new ATOM 593 N GLU A 40 6.307 1.843 -1.805 1.00 60.20 N ATOM 594 CA GLU A 40 7.325 0.995 -1.210 1.00 4.21 C ATOM 595 C GLU A 40 6.802 -0.429 -1.105 1.00 12.42 C ATOM 596 O GLU A 40 5.797 -0.678 -0.448 1.00 34.53 O ATOM 597 CB GLU A 40 7.712 1.544 0.165 1.00 25.42 C ATOM 598 CG GLU A 40 8.874 0.830 0.832 1.00 33.22 C ATOM 599 CD GLU A 40 9.473 1.659 1.952 1.00 65.34 C ATOM 600 OE1 GLU A 40 8.807 1.841 2.995 1.00 22.22 O ATOM 601 OE2 GLU A 40 10.605 2.158 1.787 1.00 71.03 O ATOM 0 H GLU A 40 5.409 1.826 -1.322 1.00 60.20 H new ATOM 0 HA GLU A 40 8.216 0.988 -1.838 1.00 4.21 H new ATOM 0 HB2 GLU A 40 7.964 2.599 0.061 1.00 25.42 H new ATOM 0 HB3 GLU A 40 6.844 1.486 0.821 1.00 25.42 H new ATOM 0 HG2 GLU A 40 8.534 -0.126 1.229 1.00 33.22 H new ATOM 0 HG3 GLU A 40 9.642 0.612 0.090 1.00 33.22 H new ATOM 606 N VAL A 41 7.470 -1.352 -1.774 1.00 1.04 N ATOM 607 CA VAL A 41 7.037 -2.744 -1.790 1.00 15.02 C ATOM 608 C VAL A 41 7.861 -3.553 -0.800 1.00 4.22 C ATOM 609 O VAL A 41 9.083 -3.625 -0.911 1.00 73.23 O ATOM 610 CB VAL A 41 7.163 -3.369 -3.198 1.00 13.55 C ATOM 611 CG1 VAL A 41 6.662 -4.808 -3.202 1.00 20.12 C ATOM 612 CG2 VAL A 41 6.407 -2.533 -4.222 1.00 4.12 C ATOM 0 H VAL A 41 8.315 -1.166 -2.314 1.00 1.04 H new ATOM 0 HA VAL A 41 5.985 -2.765 -1.505 1.00 15.02 H new ATOM 0 HB VAL A 41 8.218 -3.379 -3.472 1.00 13.55 H new ATOM 0 HG11 VAL A 41 6.761 -5.225 -4.204 1.00 20.12 H new ATOM 0 HG12 VAL A 41 7.252 -5.400 -2.502 1.00 20.12 H new ATOM 0 HG13 VAL A 41 5.614 -4.829 -2.902 1.00 20.12 H new ATOM 0 HG21 VAL A 41 6.506 -2.988 -5.208 1.00 4.12 H new ATOM 0 HG22 VAL A 41 5.353 -2.488 -3.948 1.00 4.12 H new ATOM 0 HG23 VAL A 41 6.820 -1.524 -4.244 1.00 4.12 H new ATOM 622 N ILE A 42 7.190 -4.159 0.169 1.00 15.24 N ATOM 623 CA ILE A 42 7.883 -4.891 1.218 1.00 44.33 C ATOM 624 C ILE A 42 7.363 -6.321 1.328 1.00 52.52 C ATOM 625 O ILE A 42 6.170 -6.547 1.541 1.00 21.04 O ATOM 626 CB ILE A 42 7.749 -4.180 2.582 1.00 33.53 C ATOM 627 CG1 ILE A 42 8.355 -2.779 2.495 1.00 12.12 C ATOM 628 CG2 ILE A 42 8.429 -4.989 3.682 1.00 73.12 C ATOM 629 CD1 ILE A 42 8.231 -1.972 3.766 1.00 14.15 C ATOM 0 H ILE A 42 6.173 -4.158 0.250 1.00 15.24 H new ATOM 0 HA ILE A 42 8.938 -4.922 0.944 1.00 44.33 H new ATOM 0 HB ILE A 42 6.691 -4.095 2.832 1.00 33.53 H new ATOM 0 HG12 ILE A 42 9.410 -2.867 2.235 1.00 12.12 H new ATOM 0 HG13 ILE A 42 7.871 -2.235 1.684 1.00 12.12 H new ATOM 0 HG21 ILE A 42 8.322 -4.470 4.634 1.00 73.12 H new ATOM 0 HG22 ILE A 42 7.964 -5.972 3.751 1.00 73.12 H new ATOM 0 HG23 ILE A 42 9.487 -5.104 3.448 1.00 73.12 H new ATOM 0 HD11 ILE A 42 8.685 -0.992 3.620 1.00 14.15 H new ATOM 0 HD12 ILE A 42 7.178 -1.850 4.018 1.00 14.15 H new ATOM 0 HD13 ILE A 42 8.741 -2.491 4.578 1.00 14.15 H new ATOM 640 N ASN A 43 8.266 -7.278 1.152 1.00 43.43 N ATOM 641 CA ASN A 43 7.950 -8.691 1.317 1.00 71.21 C ATOM 642 C ASN A 43 7.623 -9.016 2.771 1.00 14.45 C ATOM 643 O ASN A 43 8.407 -8.721 3.675 1.00 61.41 O ATOM 644 CB ASN A 43 9.127 -9.552 0.847 1.00 63.04 C ATOM 645 CG ASN A 43 9.188 -9.681 -0.661 1.00 72.54 C ATOM 646 OD1 ASN A 43 9.744 -8.828 -1.352 1.00 3.10 O ATOM 647 ND2 ASN A 43 8.646 -10.771 -1.173 1.00 14.51 N ATOM 0 H ASN A 43 9.235 -7.097 0.892 1.00 43.43 H new ATOM 0 HA ASN A 43 7.072 -8.913 0.710 1.00 71.21 H new ATOM 0 HB2 ASN A 43 10.058 -9.116 1.209 1.00 63.04 H new ATOM 0 HB3 ASN A 43 9.046 -10.545 1.290 1.00 63.04 H new ATOM 0 HD21 ASN A 43 8.678 -10.932 -2.180 1.00 14.51 H new ATOM 0 HD22 ASN A 43 8.195 -11.452 -0.562 1.00 14.51 H new ATOM 653 N ILE A 44 6.465 -9.615 2.995 1.00 23.52 N ATOM 654 CA ILE A 44 6.080 -10.025 4.335 1.00 74.00 C ATOM 655 C ILE A 44 6.596 -11.425 4.626 1.00 52.31 C ATOM 656 O ILE A 44 6.766 -11.800 5.786 1.00 12.14 O ATOM 657 CB ILE A 44 4.550 -10.007 4.554 1.00 51.44 C ATOM 658 CG1 ILE A 44 3.869 -11.132 3.769 1.00 60.54 C ATOM 659 CG2 ILE A 44 3.979 -8.656 4.151 1.00 25.31 C ATOM 660 CD1 ILE A 44 2.436 -11.378 4.190 1.00 4.51 C ATOM 0 H ILE A 44 5.779 -9.827 2.271 1.00 23.52 H new ATOM 0 HA ILE A 44 6.526 -9.300 5.016 1.00 74.00 H new ATOM 0 HB ILE A 44 4.354 -10.171 5.614 1.00 51.44 H new ATOM 0 HG12 ILE A 44 3.891 -10.888 2.707 1.00 60.54 H new ATOM 0 HG13 ILE A 44 4.440 -12.051 3.897 1.00 60.54 H new ATOM 0 HG21 ILE A 44 2.901 -8.655 4.309 1.00 25.31 H new ATOM 0 HG22 ILE A 44 4.436 -7.873 4.756 1.00 25.31 H new ATOM 0 HG23 ILE A 44 4.191 -8.471 3.098 1.00 25.31 H new ATOM 0 HD11 ILE A 44 2.015 -12.187 3.593 1.00 4.51 H new ATOM 0 HD12 ILE A 44 2.409 -11.653 5.245 1.00 4.51 H new ATOM 0 HD13 ILE A 44 1.851 -10.471 4.036 1.00 4.51 H new ATOM 671 N ASP A 45 6.843 -12.191 3.564 1.00 41.35 N ATOM 672 CA ASP A 45 7.330 -13.555 3.703 1.00 21.12 C ATOM 673 C ASP A 45 8.664 -13.571 4.439 1.00 52.15 C ATOM 674 O ASP A 45 9.652 -12.994 3.987 1.00 13.14 O ATOM 675 CB ASP A 45 7.439 -14.247 2.332 1.00 64.43 C ATOM 676 CG ASP A 45 8.293 -13.495 1.324 1.00 10.32 C ATOM 677 OD1 ASP A 45 7.786 -12.528 0.711 1.00 63.30 O ATOM 678 OD2 ASP A 45 9.465 -13.888 1.114 1.00 63.21 O ATOM 0 H ASP A 45 6.713 -11.886 2.599 1.00 41.35 H new ATOM 0 HA ASP A 45 6.609 -14.118 4.296 1.00 21.12 H new ATOM 0 HB2 ASP A 45 7.855 -15.245 2.472 1.00 64.43 H new ATOM 0 HB3 ASP A 45 6.438 -14.374 1.921 1.00 64.43 H new ATOM 682 N GLY A 46 8.667 -14.209 5.598 1.00 31.34 N ATOM 683 CA GLY A 46 9.846 -14.223 6.439 1.00 11.34 C ATOM 684 C GLY A 46 9.616 -13.462 7.729 1.00 25.22 C ATOM 685 O GLY A 46 10.179 -13.799 8.771 1.00 10.44 O ATOM 0 H GLY A 46 7.869 -14.721 5.974 1.00 31.34 H new ATOM 0 HA2 GLY A 46 10.120 -15.253 6.667 1.00 11.34 H new ATOM 0 HA3 GLY A 46 10.684 -13.782 5.900 1.00 11.34 H new ATOM 689 N ASN A 47 8.771 -12.442 7.659 1.00 61.22 N ATOM 690 CA ASN A 47 8.412 -11.652 8.832 1.00 72.22 C ATOM 691 C ASN A 47 7.154 -12.229 9.458 1.00 2.41 C ATOM 692 O ASN A 47 6.079 -12.177 8.855 1.00 20.22 O ATOM 693 CB ASN A 47 8.182 -10.186 8.449 1.00 53.53 C ATOM 694 CG ASN A 47 9.447 -9.495 7.975 1.00 15.13 C ATOM 695 OD1 ASN A 47 10.550 -9.807 8.429 1.00 2.04 O ATOM 696 ND2 ASN A 47 9.299 -8.554 7.055 1.00 73.02 N ATOM 0 H ASN A 47 8.318 -12.140 6.796 1.00 61.22 H new ATOM 0 HA ASN A 47 9.231 -11.691 9.550 1.00 72.22 H new ATOM 0 HB2 ASN A 47 7.429 -10.135 7.662 1.00 53.53 H new ATOM 0 HB3 ASN A 47 7.781 -9.649 9.309 1.00 53.53 H new ATOM 0 HD21 ASN A 47 10.115 -8.058 6.697 1.00 73.02 H new ATOM 0 HD22 ASN A 47 8.369 -8.325 6.705 1.00 73.02 H new ATOM 702 N GLU A 48 7.283 -12.775 10.662 1.00 14.10 N ATOM 703 CA GLU A 48 6.203 -13.540 11.267 1.00 64.10 C ATOM 704 C GLU A 48 4.986 -12.661 11.557 1.00 44.12 C ATOM 705 O GLU A 48 3.857 -13.093 11.352 1.00 45.32 O ATOM 706 CB GLU A 48 6.690 -14.262 12.537 1.00 43.21 C ATOM 707 CG GLU A 48 6.883 -13.375 13.760 1.00 34.21 C ATOM 708 CD GLU A 48 5.729 -13.487 14.738 1.00 1.11 C ATOM 709 OE1 GLU A 48 5.730 -14.430 15.557 1.00 62.13 O ATOM 710 OE2 GLU A 48 4.816 -12.647 14.691 1.00 44.20 O ATOM 0 H GLU A 48 8.123 -12.702 11.236 1.00 14.10 H new ATOM 0 HA GLU A 48 5.888 -14.297 10.549 1.00 64.10 H new ATOM 0 HB2 GLU A 48 5.974 -15.045 12.787 1.00 43.21 H new ATOM 0 HB3 GLU A 48 7.636 -14.755 12.314 1.00 43.21 H new ATOM 0 HG2 GLU A 48 7.811 -13.649 14.263 1.00 34.21 H new ATOM 0 HG3 GLU A 48 6.987 -12.338 13.441 1.00 34.21 H new ATOM 715 N HIS A 49 5.215 -11.424 11.990 1.00 32.32 N ATOM 716 CA HIS A 49 4.113 -10.522 12.329 1.00 14.34 C ATOM 717 C HIS A 49 3.232 -10.281 11.113 1.00 4.50 C ATOM 718 O HIS A 49 2.017 -10.466 11.158 1.00 3.24 O ATOM 719 CB HIS A 49 4.631 -9.179 12.859 1.00 43.22 C ATOM 720 CG HIS A 49 5.387 -9.269 14.152 1.00 45.50 C ATOM 721 ND1 HIS A 49 6.678 -8.817 14.296 1.00 32.14 N ATOM 722 CD2 HIS A 49 5.021 -9.747 15.367 1.00 12.45 C ATOM 723 CE1 HIS A 49 7.077 -9.017 15.536 1.00 74.04 C ATOM 724 NE2 HIS A 49 6.094 -9.579 16.211 1.00 52.41 N ATOM 0 H HIS A 49 6.145 -11.024 12.114 1.00 32.32 H new ATOM 0 HA HIS A 49 3.528 -11.000 13.114 1.00 14.34 H new ATOM 0 HB2 HIS A 49 5.278 -8.731 12.105 1.00 43.22 H new ATOM 0 HB3 HIS A 49 3.785 -8.505 12.994 1.00 43.22 H new ATOM 0 HD2 HIS A 49 4.065 -10.179 15.624 1.00 12.45 H new ATOM 0 HE1 HIS A 49 8.048 -8.763 15.933 1.00 74.04 H new ATOM 0 HE2 HIS A 49 6.124 -9.845 17.195 1.00 52.41 H new ATOM 731 N LEU A 50 3.864 -9.901 10.013 1.00 33.13 N ATOM 732 CA LEU A 50 3.153 -9.607 8.778 1.00 13.33 C ATOM 733 C LEU A 50 2.529 -10.868 8.185 1.00 60.44 C ATOM 734 O LEU A 50 1.423 -10.828 7.646 1.00 2.10 O ATOM 735 CB LEU A 50 4.106 -8.963 7.769 1.00 3.32 C ATOM 736 CG LEU A 50 4.720 -7.630 8.207 1.00 52.12 C ATOM 737 CD1 LEU A 50 5.732 -7.144 7.183 1.00 63.44 C ATOM 738 CD2 LEU A 50 3.635 -6.586 8.422 1.00 41.20 C ATOM 0 H LEU A 50 4.876 -9.788 9.951 1.00 33.13 H new ATOM 0 HA LEU A 50 2.346 -8.910 9.006 1.00 13.33 H new ATOM 0 HB2 LEU A 50 4.913 -9.664 7.558 1.00 3.32 H new ATOM 0 HB3 LEU A 50 3.568 -8.806 6.834 1.00 3.32 H new ATOM 0 HG LEU A 50 5.238 -7.787 9.153 1.00 52.12 H new ATOM 0 HD11 LEU A 50 6.157 -6.196 7.513 1.00 63.44 H new ATOM 0 HD12 LEU A 50 6.528 -7.882 7.080 1.00 63.44 H new ATOM 0 HD13 LEU A 50 5.238 -7.006 6.221 1.00 63.44 H new ATOM 0 HD21 LEU A 50 4.091 -5.646 8.733 1.00 41.20 H new ATOM 0 HD22 LEU A 50 3.087 -6.434 7.492 1.00 41.20 H new ATOM 0 HD23 LEU A 50 2.948 -6.929 9.196 1.00 41.20 H new ATOM 749 N THR A 51 3.237 -11.985 8.293 1.00 43.34 N ATOM 750 CA THR A 51 2.741 -13.254 7.775 1.00 63.04 C ATOM 751 C THR A 51 1.512 -13.719 8.559 1.00 34.53 C ATOM 752 O THR A 51 0.521 -14.145 7.983 1.00 20.05 O ATOM 753 CB THR A 51 3.832 -14.344 7.827 1.00 0.53 C ATOM 754 OG1 THR A 51 4.991 -13.909 7.105 1.00 55.12 O ATOM 755 CG2 THR A 51 3.332 -15.655 7.232 1.00 75.54 C ATOM 0 H THR A 51 4.155 -12.038 8.734 1.00 43.34 H new ATOM 0 HA THR A 51 2.459 -13.093 6.734 1.00 63.04 H new ATOM 0 HB THR A 51 4.087 -14.513 8.873 1.00 0.53 H new ATOM 0 HG1 THR A 51 5.487 -13.258 7.644 1.00 55.12 H new ATOM 0 HG21 THR A 51 4.123 -16.403 7.283 1.00 75.54 H new ATOM 0 HG22 THR A 51 2.466 -16.003 7.795 1.00 75.54 H new ATOM 0 HG23 THR A 51 3.048 -15.498 6.191 1.00 75.54 H new ATOM 763 N ARG A 52 1.571 -13.598 9.872 1.00 42.12 N ATOM 764 CA ARG A 52 0.474 -14.032 10.728 1.00 24.14 C ATOM 765 C ARG A 52 -0.749 -13.151 10.507 1.00 44.24 C ATOM 766 O ARG A 52 -1.884 -13.635 10.501 1.00 12.23 O ATOM 767 CB ARG A 52 0.903 -14.018 12.198 1.00 42.51 C ATOM 768 CG ARG A 52 1.913 -15.104 12.538 1.00 75.40 C ATOM 769 CD ARG A 52 2.541 -14.885 13.907 1.00 35.32 C ATOM 770 NE ARG A 52 1.557 -14.900 14.987 1.00 25.22 N ATOM 771 CZ ARG A 52 1.862 -14.757 16.277 1.00 4.54 C ATOM 772 NH1 ARG A 52 3.121 -14.537 16.655 1.00 61.40 N ATOM 773 NH2 ARG A 52 0.905 -14.810 17.187 1.00 61.03 N ATOM 0 H ARG A 52 2.367 -13.203 10.373 1.00 42.12 H new ATOM 0 HA ARG A 52 0.208 -15.056 10.465 1.00 24.14 H new ATOM 0 HB2 ARG A 52 1.332 -13.045 12.435 1.00 42.51 H new ATOM 0 HB3 ARG A 52 0.022 -14.140 12.828 1.00 42.51 H new ATOM 0 HG2 ARG A 52 1.422 -16.077 12.515 1.00 75.40 H new ATOM 0 HG3 ARG A 52 2.695 -15.124 11.779 1.00 75.40 H new ATOM 0 HD2 ARG A 52 3.286 -15.660 14.089 1.00 35.32 H new ATOM 0 HD3 ARG A 52 3.066 -13.930 13.913 1.00 35.32 H new ATOM 0 HE ARG A 52 0.576 -15.028 14.739 1.00 25.22 H new ATOM 0 HH11 ARG A 52 3.861 -14.477 15.955 1.00 61.40 H new ATOM 0 HH12 ARG A 52 3.345 -14.429 17.644 1.00 61.40 H new ATOM 0 HH21 ARG A 52 -0.063 -14.960 16.901 1.00 61.03 H new ATOM 0 HH22 ARG A 52 1.134 -14.701 18.175 1.00 61.03 H new ATOM 784 N LEU A 53 -0.509 -11.862 10.299 1.00 22.21 N ATOM 785 CA LEU A 53 -1.580 -10.915 10.012 1.00 2.41 C ATOM 786 C LEU A 53 -2.238 -11.207 8.665 1.00 23.45 C ATOM 787 O LEU A 53 -3.449 -11.419 8.587 1.00 20.30 O ATOM 788 CB LEU A 53 -1.046 -9.480 10.018 1.00 63.21 C ATOM 789 CG LEU A 53 -0.790 -8.883 11.403 1.00 5.32 C ATOM 790 CD1 LEU A 53 -0.061 -7.554 11.282 1.00 60.14 C ATOM 791 CD2 LEU A 53 -2.104 -8.700 12.146 1.00 11.20 C ATOM 0 H LEU A 53 0.422 -11.447 10.324 1.00 22.21 H new ATOM 0 HA LEU A 53 -2.330 -11.026 10.795 1.00 2.41 H new ATOM 0 HB2 LEU A 53 -0.115 -9.454 9.452 1.00 63.21 H new ATOM 0 HB3 LEU A 53 -1.757 -8.843 9.492 1.00 63.21 H new ATOM 0 HG LEU A 53 -0.161 -9.571 11.968 1.00 5.32 H new ATOM 0 HD11 LEU A 53 0.113 -7.143 12.276 1.00 60.14 H new ATOM 0 HD12 LEU A 53 0.894 -7.707 10.780 1.00 60.14 H new ATOM 0 HD13 LEU A 53 -0.667 -6.858 10.703 1.00 60.14 H new ATOM 0 HD21 LEU A 53 -1.909 -8.274 13.130 1.00 11.20 H new ATOM 0 HD22 LEU A 53 -2.751 -8.028 11.582 1.00 11.20 H new ATOM 0 HD23 LEU A 53 -2.596 -9.666 12.259 1.00 11.20 H new ATOM 802 N TYR A 54 -1.435 -11.239 7.612 1.00 15.31 N ATOM 803 CA TYR A 54 -1.971 -11.336 6.261 1.00 4.31 C ATOM 804 C TYR A 54 -1.812 -12.745 5.695 1.00 22.44 C ATOM 805 O TYR A 54 -2.803 -13.449 5.500 1.00 71.50 O ATOM 806 CB TYR A 54 -1.283 -10.313 5.349 1.00 44.13 C ATOM 807 CG TYR A 54 -1.196 -8.930 5.960 1.00 45.03 C ATOM 808 CD1 TYR A 54 -2.338 -8.266 6.392 1.00 33.32 C ATOM 809 CD2 TYR A 54 0.030 -8.301 6.126 1.00 62.21 C ATOM 810 CE1 TYR A 54 -2.259 -7.013 6.969 1.00 40.42 C ATOM 811 CE2 TYR A 54 0.118 -7.048 6.703 1.00 4.43 C ATOM 812 CZ TYR A 54 -1.029 -6.408 7.123 1.00 3.25 C ATOM 813 OH TYR A 54 -0.944 -5.160 7.696 1.00 24.11 O ATOM 0 H TYR A 54 -0.417 -11.200 7.665 1.00 15.31 H new ATOM 0 HA TYR A 54 -3.038 -11.117 6.305 1.00 4.31 H new ATOM 0 HB2 TYR A 54 -0.278 -10.663 5.115 1.00 44.13 H new ATOM 0 HB3 TYR A 54 -1.827 -10.253 4.406 1.00 44.13 H new ATOM 0 HD1 TYR A 54 -3.303 -8.737 6.275 1.00 33.32 H new ATOM 0 HD2 TYR A 54 0.931 -8.799 5.799 1.00 62.21 H new ATOM 0 HE1 TYR A 54 -3.156 -6.510 7.298 1.00 40.42 H new ATOM 0 HE2 TYR A 54 1.080 -6.573 6.824 1.00 4.43 H new ATOM 0 HH TYR A 54 -0.006 -4.879 7.730 1.00 24.11 H new ATOM 822 N ASN A 55 -0.563 -13.157 5.482 1.00 32.12 N ATOM 823 CA ASN A 55 -0.231 -14.448 4.850 1.00 12.31 C ATOM 824 C ASN A 55 -0.953 -14.668 3.515 1.00 11.42 C ATOM 825 O ASN A 55 -0.403 -14.402 2.445 1.00 71.54 O ATOM 826 CB ASN A 55 -0.541 -15.625 5.784 1.00 34.10 C ATOM 827 CG ASN A 55 -0.085 -16.957 5.218 1.00 33.12 C ATOM 828 OD1 ASN A 55 0.905 -17.031 4.493 1.00 33.55 O ATOM 829 ND2 ASN A 55 -0.811 -18.013 5.535 1.00 72.44 N ATOM 0 H ASN A 55 0.256 -12.607 5.742 1.00 32.12 H new ATOM 0 HA ASN A 55 0.840 -14.406 4.651 1.00 12.31 H new ATOM 0 HB2 ASN A 55 -0.056 -15.458 6.746 1.00 34.10 H new ATOM 0 HB3 ASN A 55 -1.614 -15.662 5.971 1.00 34.10 H new ATOM 0 HD21 ASN A 55 -0.557 -18.933 5.175 1.00 72.44 H new ATOM 0 HD22 ASN A 55 -1.626 -17.909 6.140 1.00 72.44 H new ATOM 835 N ASP A 56 -2.188 -15.147 3.594 1.00 44.51 N ATOM 836 CA ASP A 56 -2.928 -15.598 2.422 1.00 13.43 C ATOM 837 C ASP A 56 -3.644 -14.441 1.727 1.00 32.35 C ATOM 838 O ASP A 56 -4.042 -14.556 0.567 1.00 34.14 O ATOM 839 CB ASP A 56 -3.930 -16.684 2.830 1.00 72.00 C ATOM 840 CG ASP A 56 -4.762 -17.186 1.669 1.00 43.43 C ATOM 841 OD1 ASP A 56 -4.213 -17.890 0.797 1.00 24.32 O ATOM 842 OD2 ASP A 56 -5.972 -16.879 1.622 1.00 62.02 O ATOM 0 H ASP A 56 -2.704 -15.234 4.470 1.00 44.51 H new ATOM 0 HA ASP A 56 -2.216 -16.013 1.709 1.00 13.43 H new ATOM 0 HB2 ASP A 56 -3.390 -17.521 3.272 1.00 72.00 H new ATOM 0 HB3 ASP A 56 -4.592 -16.289 3.601 1.00 72.00 H new ATOM 846 N ARG A 57 -3.788 -13.316 2.420 1.00 4.42 N ATOM 847 CA ARG A 57 -4.469 -12.174 1.857 1.00 14.43 C ATOM 848 C ARG A 57 -3.510 -11.018 1.893 1.00 22.21 C ATOM 849 O ARG A 57 -3.562 -10.180 2.790 1.00 12.12 O ATOM 850 CB ARG A 57 -5.759 -11.825 2.615 1.00 54.43 C ATOM 851 CG ARG A 57 -6.752 -12.972 2.702 1.00 24.24 C ATOM 852 CD ARG A 57 -6.462 -13.871 3.894 1.00 32.32 C ATOM 853 NE ARG A 57 -6.825 -15.260 3.631 1.00 34.04 N ATOM 854 CZ ARG A 57 -7.332 -16.089 4.534 1.00 64.35 C ATOM 855 NH1 ARG A 57 -7.621 -15.659 5.756 1.00 44.15 N ATOM 856 NH2 ARG A 57 -7.561 -17.352 4.200 1.00 40.11 N ATOM 0 H ARG A 57 -3.440 -13.179 3.369 1.00 4.42 H new ATOM 0 HA ARG A 57 -4.773 -12.405 0.836 1.00 14.43 H new ATOM 0 HB2 ARG A 57 -5.500 -11.504 3.624 1.00 54.43 H new ATOM 0 HB3 ARG A 57 -6.239 -10.978 2.125 1.00 54.43 H new ATOM 0 HG2 ARG A 57 -7.763 -12.574 2.783 1.00 24.24 H new ATOM 0 HG3 ARG A 57 -6.713 -13.559 1.784 1.00 24.24 H new ATOM 0 HD2 ARG A 57 -5.402 -13.814 4.142 1.00 32.32 H new ATOM 0 HD3 ARG A 57 -7.013 -13.510 4.763 1.00 32.32 H new ATOM 0 HE ARG A 57 -6.679 -15.618 2.687 1.00 34.04 H new ATOM 0 HH11 ARG A 57 -7.454 -14.685 6.007 1.00 44.15 H new ATOM 0 HH12 ARG A 57 -8.011 -16.303 6.444 1.00 44.15 H new ATOM 0 HH21 ARG A 57 -7.347 -17.677 3.257 1.00 40.11 H new ATOM 0 HH22 ARG A 57 -7.951 -17.998 4.886 1.00 40.11 H new ATOM 867 N VAL A 58 -2.588 -11.018 0.951 1.00 62.35 N ATOM 868 CA VAL A 58 -1.564 -10.030 0.928 1.00 70.23 C ATOM 869 C VAL A 58 -2.055 -8.770 0.262 1.00 25.24 C ATOM 870 O VAL A 58 -2.835 -8.058 0.878 1.00 22.31 O ATOM 871 CB VAL A 58 -0.248 -10.544 0.296 1.00 4.21 C ATOM 872 CG1 VAL A 58 0.861 -10.501 1.320 1.00 12.30 C ATOM 873 CG2 VAL A 58 -0.402 -11.961 -0.249 1.00 21.54 C ATOM 0 H VAL A 58 -2.539 -11.700 0.195 1.00 62.35 H new ATOM 0 HA VAL A 58 -1.322 -9.793 1.964 1.00 70.23 H new ATOM 0 HB VAL A 58 0.001 -9.892 -0.541 1.00 4.21 H new ATOM 0 HG11 VAL A 58 1.785 -10.864 0.871 1.00 12.30 H new ATOM 0 HG12 VAL A 58 1.001 -9.475 1.661 1.00 12.30 H new ATOM 0 HG13 VAL A 58 0.598 -11.133 2.168 1.00 12.30 H new ATOM 0 HG21 VAL A 58 0.542 -12.288 -0.685 1.00 21.54 H new ATOM 0 HG22 VAL A 58 -0.680 -12.634 0.562 1.00 21.54 H new ATOM 0 HG23 VAL A 58 -1.179 -11.974 -1.014 1.00 21.54 H new ATOM 883 N PRO A 59 -1.762 -8.563 -1.040 1.00 22.54 N ATOM 884 CA PRO A 59 -1.578 -7.245 -1.601 1.00 75.25 C ATOM 885 C PRO A 59 -2.223 -6.120 -0.784 1.00 20.15 C ATOM 886 O PRO A 59 -3.279 -5.595 -1.143 1.00 21.42 O ATOM 887 CB PRO A 59 -2.197 -7.369 -2.986 1.00 42.34 C ATOM 888 CG PRO A 59 -2.003 -8.802 -3.372 1.00 55.24 C ATOM 889 CD PRO A 59 -1.706 -9.577 -2.105 1.00 42.35 C ATOM 0 HA PRO A 59 -0.526 -6.959 -1.614 1.00 75.25 H new ATOM 0 HB2 PRO A 59 -3.254 -7.104 -2.971 1.00 42.34 H new ATOM 0 HB3 PRO A 59 -1.711 -6.700 -3.696 1.00 42.34 H new ATOM 0 HG2 PRO A 59 -2.896 -9.192 -3.860 1.00 55.24 H new ATOM 0 HG3 PRO A 59 -1.183 -8.900 -4.083 1.00 55.24 H new ATOM 0 HD2 PRO A 59 -2.438 -10.368 -1.941 1.00 42.35 H new ATOM 0 HD3 PRO A 59 -0.727 -10.054 -2.150 1.00 42.35 H new ATOM 894 N VAL A 60 -1.575 -5.782 0.327 1.00 64.01 N ATOM 895 CA VAL A 60 -2.140 -4.878 1.319 1.00 5.53 C ATOM 896 C VAL A 60 -1.445 -3.525 1.275 1.00 30.14 C ATOM 897 O VAL A 60 -0.222 -3.440 1.412 1.00 4.35 O ATOM 898 CB VAL A 60 -2.032 -5.464 2.758 1.00 62.12 C ATOM 899 CG1 VAL A 60 -3.357 -6.039 3.227 1.00 14.01 C ATOM 900 CG2 VAL A 60 -0.973 -6.551 2.831 1.00 71.51 C ATOM 0 H VAL A 60 -0.645 -6.127 0.563 1.00 64.01 H new ATOM 0 HA VAL A 60 -3.194 -4.754 1.072 1.00 5.53 H new ATOM 0 HB VAL A 60 -1.750 -4.638 3.411 1.00 62.12 H new ATOM 0 HG11 VAL A 60 -3.244 -6.439 4.235 1.00 14.01 H new ATOM 0 HG12 VAL A 60 -4.113 -5.254 3.231 1.00 14.01 H new ATOM 0 HG13 VAL A 60 -3.666 -6.837 2.553 1.00 14.01 H new ATOM 0 HG21 VAL A 60 -0.921 -6.941 3.848 1.00 71.51 H new ATOM 0 HG22 VAL A 60 -1.232 -7.358 2.146 1.00 71.51 H new ATOM 0 HG23 VAL A 60 -0.005 -6.135 2.552 1.00 71.51 H new ATOM 910 N LEU A 61 -2.226 -2.472 1.064 1.00 31.13 N ATOM 911 CA LEU A 61 -1.695 -1.119 1.052 1.00 71.22 C ATOM 912 C LEU A 61 -1.620 -0.557 2.462 1.00 3.04 C ATOM 913 O LEU A 61 -2.639 -0.266 3.084 1.00 32.34 O ATOM 914 CB LEU A 61 -2.544 -0.205 0.166 1.00 41.13 C ATOM 915 CG LEU A 61 -2.364 -0.417 -1.335 1.00 35.43 C ATOM 916 CD1 LEU A 61 -3.267 0.521 -2.120 1.00 24.30 C ATOM 917 CD2 LEU A 61 -0.905 -0.205 -1.717 1.00 72.42 C ATOM 0 H LEU A 61 -3.231 -2.532 0.899 1.00 31.13 H new ATOM 0 HA LEU A 61 -0.687 -1.161 0.639 1.00 71.22 H new ATOM 0 HB2 LEU A 61 -3.594 -0.354 0.416 1.00 41.13 H new ATOM 0 HB3 LEU A 61 -2.304 0.832 0.403 1.00 41.13 H new ATOM 0 HG LEU A 61 -2.645 -1.441 -1.582 1.00 35.43 H new ATOM 0 HD11 LEU A 61 -3.124 0.355 -3.188 1.00 24.30 H new ATOM 0 HD12 LEU A 61 -4.307 0.328 -1.859 1.00 24.30 H new ATOM 0 HD13 LEU A 61 -3.018 1.554 -1.877 1.00 24.30 H new ATOM 0 HD21 LEU A 61 -0.784 -0.358 -2.789 1.00 72.42 H new ATOM 0 HD22 LEU A 61 -0.605 0.811 -1.459 1.00 72.42 H new ATOM 0 HD23 LEU A 61 -0.280 -0.916 -1.176 1.00 72.42 H new ATOM 928 N PHE A 62 -0.406 -0.414 2.950 1.00 4.44 N ATOM 929 CA PHE A 62 -0.157 0.066 4.291 1.00 31.42 C ATOM 930 C PHE A 62 0.034 1.581 4.295 1.00 21.20 C ATOM 931 O PHE A 62 0.885 2.115 3.582 1.00 44.04 O ATOM 932 CB PHE A 62 1.086 -0.631 4.855 1.00 23.32 C ATOM 933 CG PHE A 62 1.454 -0.216 6.246 1.00 74.31 C ATOM 934 CD1 PHE A 62 0.799 -0.755 7.341 1.00 51.11 C ATOM 935 CD2 PHE A 62 2.464 0.708 6.458 1.00 62.40 C ATOM 936 CE1 PHE A 62 1.147 -0.380 8.623 1.00 35.44 C ATOM 937 CE2 PHE A 62 2.817 1.088 7.737 1.00 13.13 C ATOM 938 CZ PHE A 62 2.156 0.545 8.822 1.00 30.55 C ATOM 0 H PHE A 62 0.441 -0.629 2.423 1.00 4.44 H new ATOM 0 HA PHE A 62 -1.018 -0.165 4.918 1.00 31.42 H new ATOM 0 HB2 PHE A 62 0.920 -1.708 4.843 1.00 23.32 H new ATOM 0 HB3 PHE A 62 1.930 -0.431 4.195 1.00 23.32 H new ATOM 0 HD1 PHE A 62 0.009 -1.475 7.190 1.00 51.11 H new ATOM 0 HD2 PHE A 62 2.981 1.136 5.612 1.00 62.40 H new ATOM 0 HE1 PHE A 62 0.632 -0.808 9.470 1.00 35.44 H new ATOM 0 HE2 PHE A 62 3.608 1.808 7.889 1.00 13.13 H new ATOM 0 HZ PHE A 62 2.427 0.842 9.824 1.00 30.55 H new ATOM 947 N ALA A 63 -0.775 2.257 5.097 1.00 65.43 N ATOM 948 CA ALA A 63 -0.672 3.693 5.288 1.00 0.11 C ATOM 949 C ALA A 63 0.402 3.998 6.325 1.00 41.01 C ATOM 950 O ALA A 63 0.220 3.731 7.515 1.00 41.42 O ATOM 951 CB ALA A 63 -2.014 4.259 5.730 1.00 70.15 C ATOM 0 H ALA A 63 -1.524 1.822 5.635 1.00 65.43 H new ATOM 0 HA ALA A 63 -0.393 4.162 4.344 1.00 0.11 H new ATOM 0 HB1 ALA A 63 -1.926 5.336 5.870 1.00 70.15 H new ATOM 0 HB2 ALA A 63 -2.765 4.053 4.967 1.00 70.15 H new ATOM 0 HB3 ALA A 63 -2.313 3.794 6.669 1.00 70.15 H new ATOM 957 N VAL A 64 1.517 4.550 5.870 1.00 25.22 N ATOM 958 CA VAL A 64 2.674 4.774 6.731 1.00 13.22 C ATOM 959 C VAL A 64 2.441 5.934 7.708 1.00 43.41 C ATOM 960 O VAL A 64 3.093 6.024 8.749 1.00 31.22 O ATOM 961 CB VAL A 64 3.934 5.034 5.872 1.00 35.41 C ATOM 962 CG1 VAL A 64 5.171 5.228 6.730 1.00 30.14 C ATOM 963 CG2 VAL A 64 4.145 3.887 4.899 1.00 15.45 C ATOM 0 H VAL A 64 1.647 4.853 4.905 1.00 25.22 H new ATOM 0 HA VAL A 64 2.826 3.873 7.325 1.00 13.22 H new ATOM 0 HB VAL A 64 3.772 5.957 5.315 1.00 35.41 H new ATOM 0 HG11 VAL A 64 6.034 5.408 6.089 1.00 30.14 H new ATOM 0 HG12 VAL A 64 5.025 6.083 7.391 1.00 30.14 H new ATOM 0 HG13 VAL A 64 5.343 4.333 7.328 1.00 30.14 H new ATOM 0 HG21 VAL A 64 5.034 4.078 4.298 1.00 15.45 H new ATOM 0 HG22 VAL A 64 4.275 2.958 5.454 1.00 15.45 H new ATOM 0 HG23 VAL A 64 3.277 3.800 4.245 1.00 15.45 H new ATOM 973 N ASN A 65 1.491 6.803 7.386 1.00 52.14 N ATOM 974 CA ASN A 65 1.201 7.958 8.234 1.00 34.20 C ATOM 975 C ASN A 65 0.489 7.554 9.527 1.00 2.42 C ATOM 976 O ASN A 65 0.928 7.914 10.617 1.00 44.02 O ATOM 977 CB ASN A 65 0.368 8.999 7.483 1.00 52.24 C ATOM 978 CG ASN A 65 1.210 9.968 6.669 1.00 33.51 C ATOM 979 OD1 ASN A 65 0.813 11.109 6.443 1.00 63.15 O ATOM 980 ND2 ASN A 65 2.388 9.537 6.243 1.00 64.42 N ATOM 0 H ASN A 65 0.910 6.733 6.550 1.00 52.14 H new ATOM 0 HA ASN A 65 2.161 8.400 8.501 1.00 34.20 H new ATOM 0 HB2 ASN A 65 -0.328 8.487 6.819 1.00 52.24 H new ATOM 0 HB3 ASN A 65 -0.230 9.562 8.200 1.00 52.24 H new ATOM 0 HD21 ASN A 65 2.996 10.159 5.710 1.00 64.42 H new ATOM 0 HD22 ASN A 65 2.687 8.584 6.448 1.00 64.42 H new ATOM 986 N GLU A 66 -0.596 6.795 9.406 1.00 61.32 N ATOM 987 CA GLU A 66 -1.427 6.467 10.566 1.00 31.44 C ATOM 988 C GLU A 66 -1.136 5.052 11.083 1.00 42.33 C ATOM 989 O GLU A 66 -1.664 4.636 12.117 1.00 72.21 O ATOM 990 CB GLU A 66 -2.907 6.613 10.203 1.00 55.53 C ATOM 991 CG GLU A 66 -3.842 6.523 11.400 1.00 3.55 C ATOM 992 CD GLU A 66 -5.294 6.689 11.018 1.00 4.21 C ATOM 993 OE1 GLU A 66 -5.910 5.702 10.564 1.00 35.24 O ATOM 994 OE2 GLU A 66 -5.836 7.802 11.182 1.00 52.32 O ATOM 0 H GLU A 66 -0.921 6.397 8.525 1.00 61.32 H new ATOM 0 HA GLU A 66 -1.184 7.165 11.367 1.00 31.44 H new ATOM 0 HB2 GLU A 66 -3.057 7.572 9.707 1.00 55.53 H new ATOM 0 HB3 GLU A 66 -3.174 5.837 9.485 1.00 55.53 H new ATOM 0 HG2 GLU A 66 -3.707 5.559 11.890 1.00 3.55 H new ATOM 0 HG3 GLU A 66 -3.571 7.290 12.126 1.00 3.55 H new ATOM 999 N ASP A 67 -0.285 4.327 10.357 1.00 54.42 N ATOM 1000 CA ASP A 67 0.112 2.963 10.724 1.00 65.25 C ATOM 1001 C ASP A 67 -1.085 2.008 10.698 1.00 55.32 C ATOM 1002 O ASP A 67 -1.686 1.699 11.731 1.00 35.42 O ATOM 1003 CB ASP A 67 0.795 2.932 12.099 1.00 32.03 C ATOM 1004 CG ASP A 67 1.482 1.608 12.383 1.00 14.42 C ATOM 1005 OD1 ASP A 67 0.800 0.647 12.801 1.00 44.35 O ATOM 1006 OD2 ASP A 67 2.718 1.527 12.207 1.00 13.11 O ATOM 0 H ASP A 67 0.149 4.666 9.499 1.00 54.42 H new ATOM 0 HA ASP A 67 0.832 2.624 9.979 1.00 65.25 H new ATOM 0 HB2 ASP A 67 1.529 3.736 12.154 1.00 32.03 H new ATOM 0 HB3 ASP A 67 0.052 3.125 12.873 1.00 32.03 H new ATOM 1010 N LYS A 68 -1.446 1.590 9.491 1.00 73.12 N ATOM 1011 CA LYS A 68 -2.495 0.600 9.273 1.00 40.44 C ATOM 1012 C LYS A 68 -2.590 0.307 7.789 1.00 51.20 C ATOM 1013 O LYS A 68 -1.888 0.918 6.997 1.00 33.40 O ATOM 1014 CB LYS A 68 -3.858 1.090 9.772 1.00 23.54 C ATOM 1015 CG LYS A 68 -4.414 2.277 8.995 1.00 53.30 C ATOM 1016 CD LYS A 68 -5.847 2.609 9.398 1.00 22.43 C ATOM 1017 CE LYS A 68 -6.880 1.668 8.768 1.00 60.44 C ATOM 1018 NZ LYS A 68 -6.780 0.266 9.267 1.00 73.12 N ATOM 0 H LYS A 68 -1.017 1.930 8.630 1.00 73.12 H new ATOM 0 HA LYS A 68 -2.235 -0.297 9.835 1.00 40.44 H new ATOM 0 HB2 LYS A 68 -4.571 0.267 9.717 1.00 23.54 H new ATOM 0 HB3 LYS A 68 -3.771 1.366 10.823 1.00 23.54 H new ATOM 0 HG2 LYS A 68 -3.780 3.148 9.163 1.00 53.30 H new ATOM 0 HG3 LYS A 68 -4.380 2.059 7.928 1.00 53.30 H new ATOM 0 HD2 LYS A 68 -5.934 2.560 10.483 1.00 22.43 H new ATOM 0 HD3 LYS A 68 -6.072 3.635 9.106 1.00 22.43 H new ATOM 0 HE2 LYS A 68 -7.881 2.049 8.972 1.00 60.44 H new ATOM 0 HE3 LYS A 68 -6.752 1.671 7.686 1.00 60.44 H new ATOM 0 HZ1 LYS A 68 -7.713 -0.190 9.210 1.00 73.12 H new ATOM 0 HZ2 LYS A 68 -6.100 -0.262 8.684 1.00 73.12 H new ATOM 0 HZ3 LYS A 68 -6.458 0.272 10.256 1.00 73.12 H new ATOM 1028 N GLU A 69 -3.457 -0.607 7.415 1.00 45.15 N ATOM 1029 CA GLU A 69 -3.691 -0.899 6.013 1.00 40.15 C ATOM 1030 C GLU A 69 -4.965 -0.215 5.525 1.00 60.03 C ATOM 1031 O GLU A 69 -5.842 0.126 6.317 1.00 31.45 O ATOM 1032 CB GLU A 69 -3.766 -2.414 5.780 1.00 35.03 C ATOM 1033 CG GLU A 69 -4.205 -3.217 6.999 1.00 72.32 C ATOM 1034 CD GLU A 69 -5.531 -2.758 7.573 1.00 60.40 C ATOM 1035 OE1 GLU A 69 -6.588 -3.160 7.045 1.00 14.04 O ATOM 1036 OE2 GLU A 69 -5.512 -1.978 8.552 1.00 31.14 O ATOM 0 H GLU A 69 -4.015 -1.164 8.062 1.00 45.15 H new ATOM 0 HA GLU A 69 -2.852 -0.507 5.439 1.00 40.15 H new ATOM 0 HB2 GLU A 69 -4.459 -2.610 4.962 1.00 35.03 H new ATOM 0 HB3 GLU A 69 -2.787 -2.769 5.459 1.00 35.03 H new ATOM 0 HG2 GLU A 69 -4.280 -4.269 6.725 1.00 72.32 H new ATOM 0 HG3 GLU A 69 -3.438 -3.143 7.770 1.00 72.32 H new ATOM 1041 N LEU A 70 -5.050 0.015 4.226 1.00 30.24 N ATOM 1042 CA LEU A 70 -6.234 0.619 3.637 1.00 1.03 C ATOM 1043 C LEU A 70 -6.974 -0.393 2.780 1.00 74.04 C ATOM 1044 O LEU A 70 -7.997 -0.949 3.177 1.00 13.13 O ATOM 1045 CB LEU A 70 -5.863 1.807 2.745 1.00 51.11 C ATOM 1046 CG LEU A 70 -5.009 2.901 3.378 1.00 61.23 C ATOM 1047 CD1 LEU A 70 -4.711 3.966 2.341 1.00 71.14 C ATOM 1048 CD2 LEU A 70 -5.701 3.511 4.588 1.00 63.30 C ATOM 0 H LEU A 70 -4.312 -0.208 3.558 1.00 30.24 H new ATOM 0 HA LEU A 70 -6.865 0.958 4.459 1.00 1.03 H new ATOM 0 HB2 LEU A 70 -5.333 1.425 1.872 1.00 51.11 H new ATOM 0 HB3 LEU A 70 -6.785 2.262 2.384 1.00 51.11 H new ATOM 0 HG LEU A 70 -4.075 2.460 3.725 1.00 61.23 H new ATOM 0 HD11 LEU A 70 -4.101 4.750 2.790 1.00 71.14 H new ATOM 0 HD12 LEU A 70 -4.172 3.520 1.506 1.00 71.14 H new ATOM 0 HD13 LEU A 70 -5.646 4.395 1.981 1.00 71.14 H new ATOM 0 HD21 LEU A 70 -5.067 4.287 5.017 1.00 63.30 H new ATOM 0 HD22 LEU A 70 -6.652 3.947 4.282 1.00 63.30 H new ATOM 0 HD23 LEU A 70 -5.880 2.736 5.333 1.00 63.30 H new ATOM 1059 N CYS A 71 -6.418 -0.629 1.605 1.00 64.34 N ATOM 1060 CA CYS A 71 -7.033 -1.481 0.612 1.00 25.21 C ATOM 1061 C CYS A 71 -6.161 -2.701 0.372 1.00 52.25 C ATOM 1062 O CYS A 71 -4.933 -2.608 0.406 1.00 32.31 O ATOM 1063 CB CYS A 71 -7.221 -0.693 -0.687 1.00 4.34 C ATOM 1064 SG CYS A 71 -7.927 -1.637 -2.055 1.00 31.13 S ATOM 0 H CYS A 71 -5.524 -0.232 1.315 1.00 64.34 H new ATOM 0 HA CYS A 71 -8.008 -1.815 0.967 1.00 25.21 H new ATOM 0 HB2 CYS A 71 -7.865 0.163 -0.485 1.00 4.34 H new ATOM 0 HB3 CYS A 71 -6.254 -0.298 -0.998 1.00 4.34 H new ATOM 0 HG CYS A 71 -9.043 -2.184 -1.674 1.00 31.13 H new ATOM 1069 N HIS A 72 -6.793 -3.838 0.160 1.00 11.03 N ATOM 1070 CA HIS A 72 -6.067 -5.056 -0.144 1.00 0.15 C ATOM 1071 C HIS A 72 -6.699 -5.771 -1.332 1.00 62.10 C ATOM 1072 O HIS A 72 -7.913 -5.985 -1.365 1.00 34.13 O ATOM 1073 CB HIS A 72 -5.989 -5.972 1.089 1.00 73.44 C ATOM 1074 CG HIS A 72 -7.309 -6.261 1.743 1.00 71.14 C ATOM 1075 ND1 HIS A 72 -7.789 -5.552 2.831 1.00 34.15 N ATOM 1076 CD2 HIS A 72 -8.256 -7.187 1.460 1.00 21.10 C ATOM 1077 CE1 HIS A 72 -8.964 -6.034 3.183 1.00 53.35 C ATOM 1078 NE2 HIS A 72 -9.269 -7.021 2.366 1.00 21.43 N ATOM 0 H HIS A 72 -7.807 -3.945 0.192 1.00 11.03 H new ATOM 0 HA HIS A 72 -5.046 -4.790 -0.418 1.00 0.15 H new ATOM 0 HB2 HIS A 72 -5.531 -6.916 0.794 1.00 73.44 H new ATOM 0 HB3 HIS A 72 -5.328 -5.513 1.824 1.00 73.44 H new ATOM 0 HD2 HIS A 72 -8.219 -7.920 0.667 1.00 21.10 H new ATOM 0 HE1 HIS A 72 -9.573 -5.680 4.002 1.00 53.35 H new ATOM 0 HE2 HIS A 72 -10.125 -7.574 2.402 1.00 21.43 H new ATOM 1085 N TYR A 73 -5.849 -6.126 -2.296 1.00 23.20 N ATOM 1086 CA TYR A 73 -6.264 -6.750 -3.556 1.00 65.31 C ATOM 1087 C TYR A 73 -7.041 -5.791 -4.449 1.00 72.51 C ATOM 1088 O TYR A 73 -7.866 -5.000 -3.988 1.00 70.50 O ATOM 1089 CB TYR A 73 -7.083 -8.021 -3.329 1.00 33.12 C ATOM 1090 CG TYR A 73 -6.265 -9.197 -2.847 1.00 35.21 C ATOM 1091 CD1 TYR A 73 -5.965 -9.357 -1.501 1.00 20.25 C ATOM 1092 CD2 TYR A 73 -5.785 -10.141 -3.745 1.00 32.41 C ATOM 1093 CE1 TYR A 73 -5.212 -10.428 -1.064 1.00 74.42 C ATOM 1094 CE2 TYR A 73 -5.033 -11.218 -3.312 1.00 43.34 C ATOM 1095 CZ TYR A 73 -4.745 -11.355 -1.971 1.00 42.32 C ATOM 1096 OH TYR A 73 -3.991 -12.421 -1.538 1.00 32.00 O ATOM 0 H TYR A 73 -4.841 -5.987 -2.225 1.00 23.20 H new ATOM 0 HA TYR A 73 -5.340 -7.021 -4.067 1.00 65.31 H new ATOM 0 HB2 TYR A 73 -7.866 -7.812 -2.600 1.00 33.12 H new ATOM 0 HB3 TYR A 73 -7.579 -8.293 -4.260 1.00 33.12 H new ATOM 0 HD1 TYR A 73 -6.326 -8.633 -0.786 1.00 20.25 H new ATOM 0 HD2 TYR A 73 -6.002 -10.033 -4.797 1.00 32.41 H new ATOM 0 HE1 TYR A 73 -4.989 -10.540 -0.013 1.00 74.42 H new ATOM 0 HE2 TYR A 73 -4.673 -11.948 -4.021 1.00 43.34 H new ATOM 0 HH TYR A 73 -3.743 -12.979 -2.304 1.00 32.00 H new ATOM 1105 N PHE A 74 -6.744 -5.886 -5.735 1.00 23.32 N ATOM 1106 CA PHE A 74 -7.395 -5.098 -6.776 1.00 4.23 C ATOM 1107 C PHE A 74 -7.234 -3.607 -6.524 1.00 3.14 C ATOM 1108 O PHE A 74 -6.144 -3.065 -6.719 1.00 54.44 O ATOM 1109 CB PHE A 74 -8.874 -5.477 -6.911 1.00 4.04 C ATOM 1110 CG PHE A 74 -9.070 -6.908 -7.316 1.00 53.33 C ATOM 1111 CD1 PHE A 74 -9.014 -7.274 -8.650 1.00 20.40 C ATOM 1112 CD2 PHE A 74 -9.294 -7.886 -6.362 1.00 63.34 C ATOM 1113 CE1 PHE A 74 -9.176 -8.593 -9.024 1.00 43.14 C ATOM 1114 CE2 PHE A 74 -9.460 -9.206 -6.729 1.00 12.22 C ATOM 1115 CZ PHE A 74 -9.398 -9.560 -8.062 1.00 2.42 C ATOM 0 H PHE A 74 -6.032 -6.523 -6.094 1.00 23.32 H new ATOM 0 HA PHE A 74 -6.902 -5.328 -7.721 1.00 4.23 H new ATOM 0 HB2 PHE A 74 -9.378 -5.300 -5.961 1.00 4.04 H new ATOM 0 HB3 PHE A 74 -9.346 -4.827 -7.648 1.00 4.04 H new ATOM 0 HD1 PHE A 74 -8.842 -6.521 -9.405 1.00 20.40 H new ATOM 0 HD2 PHE A 74 -9.339 -7.613 -5.318 1.00 63.34 H new ATOM 0 HE1 PHE A 74 -9.129 -8.869 -10.067 1.00 43.14 H new ATOM 0 HE2 PHE A 74 -9.638 -9.959 -5.976 1.00 12.22 H new ATOM 0 HZ PHE A 74 -9.523 -10.593 -8.353 1.00 2.42 H new ATOM 1124 N LEU A 75 -8.310 -2.964 -6.087 1.00 22.32 N ATOM 1125 CA LEU A 75 -8.299 -1.544 -5.787 1.00 53.33 C ATOM 1126 C LEU A 75 -9.716 -1.075 -5.494 1.00 11.10 C ATOM 1127 O LEU A 75 -10.551 -1.001 -6.396 1.00 44.32 O ATOM 1128 CB LEU A 75 -7.717 -0.738 -6.957 1.00 74.04 C ATOM 1129 CG LEU A 75 -7.083 0.597 -6.568 1.00 21.22 C ATOM 1130 CD1 LEU A 75 -5.966 0.378 -5.556 1.00 43.22 C ATOM 1131 CD2 LEU A 75 -6.541 1.296 -7.800 1.00 14.30 C ATOM 0 H LEU A 75 -9.212 -3.415 -5.932 1.00 22.32 H new ATOM 0 HA LEU A 75 -7.668 -1.381 -4.913 1.00 53.33 H new ATOM 0 HB2 LEU A 75 -6.966 -1.347 -7.460 1.00 74.04 H new ATOM 0 HB3 LEU A 75 -8.511 -0.549 -7.680 1.00 74.04 H new ATOM 0 HG LEU A 75 -7.848 1.226 -6.113 1.00 21.22 H new ATOM 0 HD11 LEU A 75 -5.524 1.338 -5.289 1.00 43.22 H new ATOM 0 HD12 LEU A 75 -6.372 -0.096 -4.662 1.00 43.22 H new ATOM 0 HD13 LEU A 75 -5.201 -0.265 -5.992 1.00 43.22 H new ATOM 0 HD21 LEU A 75 -6.092 2.246 -7.511 1.00 14.30 H new ATOM 0 HD22 LEU A 75 -5.787 0.667 -8.273 1.00 14.30 H new ATOM 0 HD23 LEU A 75 -7.354 1.478 -8.502 1.00 14.30 H new ATOM 1142 N ASP A 76 -9.991 -0.796 -4.225 1.00 13.02 N ATOM 1143 CA ASP A 76 -11.289 -0.260 -3.828 1.00 71.13 C ATOM 1144 C ASP A 76 -11.418 1.179 -4.289 1.00 14.50 C ATOM 1145 O ASP A 76 -12.525 1.681 -4.488 1.00 54.10 O ATOM 1146 CB ASP A 76 -11.478 -0.334 -2.308 1.00 33.32 C ATOM 1147 CG ASP A 76 -11.665 -1.752 -1.806 1.00 14.03 C ATOM 1148 OD1 ASP A 76 -10.654 -2.423 -1.511 1.00 12.33 O ATOM 1149 OD2 ASP A 76 -12.827 -2.197 -1.691 1.00 74.30 O ATOM 0 H ASP A 76 -9.336 -0.931 -3.455 1.00 13.02 H new ATOM 0 HA ASP A 76 -12.063 -0.866 -4.300 1.00 71.13 H new ATOM 0 HB2 ASP A 76 -10.611 0.109 -1.817 1.00 33.32 H new ATOM 0 HB3 ASP A 76 -12.344 0.264 -2.025 1.00 33.32 H new ATOM 1153 N SER A 77 -10.263 1.830 -4.444 1.00 24.00 N ATOM 1154 CA SER A 77 -10.161 3.217 -4.907 1.00 43.04 C ATOM 1155 C SER A 77 -10.696 4.213 -3.873 1.00 65.14 C ATOM 1156 O SER A 77 -9.983 5.123 -3.461 1.00 1.54 O ATOM 1157 CB SER A 77 -10.881 3.395 -6.245 1.00 52.35 C ATOM 1158 OG SER A 77 -10.425 2.447 -7.194 1.00 12.23 O ATOM 0 H SER A 77 -9.358 1.402 -4.248 1.00 24.00 H new ATOM 0 HA SER A 77 -9.101 3.431 -5.045 1.00 43.04 H new ATOM 0 HB2 SER A 77 -11.956 3.284 -6.102 1.00 52.35 H new ATOM 0 HB3 SER A 77 -10.712 4.404 -6.622 1.00 52.35 H new ATOM 0 HG SER A 77 -10.900 2.578 -8.041 1.00 12.23 H new ATOM 1163 N ASP A 78 -11.936 4.027 -3.441 1.00 61.01 N ATOM 1164 CA ASP A 78 -12.572 4.939 -2.495 1.00 60.24 C ATOM 1165 C ASP A 78 -11.792 5.031 -1.188 1.00 10.11 C ATOM 1166 O ASP A 78 -11.581 6.118 -0.660 1.00 44.21 O ATOM 1167 CB ASP A 78 -14.003 4.487 -2.201 1.00 63.14 C ATOM 1168 CG ASP A 78 -14.709 5.419 -1.238 1.00 71.11 C ATOM 1169 OD1 ASP A 78 -15.136 6.510 -1.672 1.00 33.00 O ATOM 1170 OD2 ASP A 78 -14.839 5.067 -0.045 1.00 41.55 O ATOM 0 H ASP A 78 -12.526 3.248 -3.732 1.00 61.01 H new ATOM 0 HA ASP A 78 -12.585 5.927 -2.956 1.00 60.24 H new ATOM 0 HB2 ASP A 78 -14.565 4.436 -3.133 1.00 63.14 H new ATOM 0 HB3 ASP A 78 -13.986 3.480 -1.784 1.00 63.14 H new ATOM 1174 N VAL A 79 -11.350 3.887 -0.681 1.00 4.12 N ATOM 1175 CA VAL A 79 -10.643 3.844 0.595 1.00 13.35 C ATOM 1176 C VAL A 79 -9.316 4.601 0.533 1.00 31.42 C ATOM 1177 O VAL A 79 -9.016 5.395 1.422 1.00 54.05 O ATOM 1178 CB VAL A 79 -10.412 2.391 1.059 1.00 61.52 C ATOM 1179 CG1 VAL A 79 -9.565 2.347 2.324 1.00 53.41 C ATOM 1180 CG2 VAL A 79 -11.749 1.711 1.294 1.00 64.43 C ATOM 0 H VAL A 79 -11.467 2.979 -1.131 1.00 4.12 H new ATOM 0 HA VAL A 79 -11.279 4.342 1.327 1.00 13.35 H new ATOM 0 HB VAL A 79 -9.870 1.860 0.277 1.00 61.52 H new ATOM 0 HG11 VAL A 79 -9.418 1.311 2.628 1.00 53.41 H new ATOM 0 HG12 VAL A 79 -8.597 2.809 2.130 1.00 53.41 H new ATOM 0 HG13 VAL A 79 -10.073 2.890 3.121 1.00 53.41 H new ATOM 0 HG21 VAL A 79 -11.583 0.685 1.622 1.00 64.43 H new ATOM 0 HG22 VAL A 79 -12.302 2.252 2.062 1.00 64.43 H new ATOM 0 HG23 VAL A 79 -12.323 1.707 0.368 1.00 64.43 H new ATOM 1190 N ILE A 80 -8.524 4.381 -0.516 1.00 4.23 N ATOM 1191 CA ILE A 80 -7.281 5.134 -0.663 1.00 32.10 C ATOM 1192 C ILE A 80 -7.595 6.588 -1.006 1.00 33.23 C ATOM 1193 O ILE A 80 -6.894 7.494 -0.581 1.00 12.42 O ATOM 1194 CB ILE A 80 -6.312 4.540 -1.721 1.00 32.21 C ATOM 1195 CG1 ILE A 80 -5.067 5.423 -1.858 1.00 32.24 C ATOM 1196 CG2 ILE A 80 -6.991 4.403 -3.057 1.00 41.40 C ATOM 1197 CD1 ILE A 80 -4.275 5.539 -0.582 1.00 3.15 C ATOM 0 H ILE A 80 -8.714 3.707 -1.257 1.00 4.23 H new ATOM 0 HA ILE A 80 -6.766 5.069 0.296 1.00 32.10 H new ATOM 0 HB ILE A 80 -6.012 3.548 -1.383 1.00 32.21 H new ATOM 0 HG12 ILE A 80 -4.426 5.016 -2.640 1.00 32.24 H new ATOM 0 HG13 ILE A 80 -5.370 6.419 -2.181 1.00 32.24 H new ATOM 0 HG21 ILE A 80 -6.291 3.985 -3.780 1.00 41.40 H new ATOM 0 HG22 ILE A 80 -7.852 3.741 -2.961 1.00 41.40 H new ATOM 0 HG23 ILE A 80 -7.323 5.383 -3.399 1.00 41.40 H new ATOM 0 HD11 ILE A 80 -3.408 6.178 -0.749 1.00 3.15 H new ATOM 0 HD12 ILE A 80 -4.901 5.974 0.197 1.00 3.15 H new ATOM 0 HD13 ILE A 80 -3.942 4.549 -0.269 1.00 3.15 H new ATOM 1208 N GLY A 81 -8.669 6.803 -1.759 1.00 23.24 N ATOM 1209 CA GLY A 81 -9.097 8.151 -2.073 1.00 15.52 C ATOM 1210 C GLY A 81 -9.442 8.931 -0.823 1.00 52.34 C ATOM 1211 O GLY A 81 -9.067 10.094 -0.685 1.00 54.30 O ATOM 0 H GLY A 81 -9.250 6.066 -2.157 1.00 23.24 H new ATOM 0 HA2 GLY A 81 -8.306 8.667 -2.618 1.00 15.52 H new ATOM 0 HA3 GLY A 81 -9.965 8.114 -2.731 1.00 15.52 H new ATOM 1215 N ALA A 82 -10.141 8.275 0.098 1.00 63.25 N ATOM 1216 CA ALA A 82 -10.492 8.865 1.386 1.00 21.53 C ATOM 1217 C ALA A 82 -9.237 9.230 2.179 1.00 42.14 C ATOM 1218 O ALA A 82 -9.223 10.202 2.934 1.00 21.11 O ATOM 1219 CB ALA A 82 -11.356 7.890 2.182 1.00 3.33 C ATOM 0 H ALA A 82 -10.480 7.321 -0.027 1.00 63.25 H new ATOM 0 HA ALA A 82 -11.056 9.780 1.207 1.00 21.53 H new ATOM 0 HB1 ALA A 82 -11.616 8.335 3.143 1.00 3.33 H new ATOM 0 HB2 ALA A 82 -12.267 7.673 1.625 1.00 3.33 H new ATOM 0 HB3 ALA A 82 -10.803 6.965 2.348 1.00 3.33 H new ATOM 1225 N TYR A 83 -8.184 8.447 1.987 1.00 33.21 N ATOM 1226 CA TYR A 83 -6.915 8.665 2.675 1.00 44.24 C ATOM 1227 C TYR A 83 -6.066 9.705 1.945 1.00 1.12 C ATOM 1228 O TYR A 83 -5.345 10.478 2.568 1.00 61.21 O ATOM 1229 CB TYR A 83 -6.169 7.331 2.778 1.00 74.12 C ATOM 1230 CG TYR A 83 -4.768 7.414 3.343 1.00 33.24 C ATOM 1231 CD1 TYR A 83 -4.548 7.573 4.705 1.00 24.53 C ATOM 1232 CD2 TYR A 83 -3.663 7.298 2.511 1.00 14.53 C ATOM 1233 CE1 TYR A 83 -3.266 7.610 5.222 1.00 54.12 C ATOM 1234 CE2 TYR A 83 -2.377 7.338 3.016 1.00 55.12 C ATOM 1235 CZ TYR A 83 -2.183 7.495 4.374 1.00 33.11 C ATOM 1236 OH TYR A 83 -0.903 7.521 4.892 1.00 73.40 O ATOM 0 H TYR A 83 -8.183 7.647 1.354 1.00 33.21 H new ATOM 0 HA TYR A 83 -7.112 9.050 3.675 1.00 44.24 H new ATOM 0 HB2 TYR A 83 -6.754 6.654 3.400 1.00 74.12 H new ATOM 0 HB3 TYR A 83 -6.116 6.886 1.785 1.00 74.12 H new ATOM 0 HD1 TYR A 83 -5.392 7.669 5.372 1.00 24.53 H new ATOM 0 HD2 TYR A 83 -3.811 7.174 1.448 1.00 14.53 H new ATOM 0 HE1 TYR A 83 -3.113 7.728 6.285 1.00 54.12 H new ATOM 0 HE2 TYR A 83 -1.530 7.247 2.353 1.00 55.12 H new ATOM 0 HH TYR A 83 -0.254 7.428 4.164 1.00 73.40 H new ATOM 1245 N LEU A 84 -6.171 9.720 0.623 1.00 12.01 N ATOM 1246 CA LEU A 84 -5.362 10.602 -0.213 1.00 70.01 C ATOM 1247 C LEU A 84 -6.068 11.933 -0.491 1.00 34.51 C ATOM 1248 O LEU A 84 -5.651 12.691 -1.365 1.00 41.44 O ATOM 1249 CB LEU A 84 -5.003 9.896 -1.531 1.00 23.23 C ATOM 1250 CG LEU A 84 -3.533 9.485 -1.677 1.00 12.32 C ATOM 1251 CD1 LEU A 84 -2.664 10.697 -1.980 1.00 50.43 C ATOM 1252 CD2 LEU A 84 -3.035 8.798 -0.418 1.00 13.44 C ATOM 0 H LEU A 84 -6.815 9.126 0.101 1.00 12.01 H new ATOM 0 HA LEU A 84 -4.446 10.830 0.333 1.00 70.01 H new ATOM 0 HB2 LEU A 84 -5.623 9.005 -1.627 1.00 23.23 H new ATOM 0 HB3 LEU A 84 -5.262 10.555 -2.359 1.00 23.23 H new ATOM 0 HG LEU A 84 -3.465 8.784 -2.508 1.00 12.32 H new ATOM 0 HD11 LEU A 84 -1.625 10.384 -2.080 1.00 50.43 H new ATOM 0 HD12 LEU A 84 -2.995 11.158 -2.910 1.00 50.43 H new ATOM 0 HD13 LEU A 84 -2.749 11.418 -1.167 1.00 50.43 H new ATOM 0 HD21 LEU A 84 -1.990 8.516 -0.546 1.00 13.44 H new ATOM 0 HD22 LEU A 84 -3.126 9.479 0.428 1.00 13.44 H new ATOM 0 HD23 LEU A 84 -3.631 7.905 -0.231 1.00 13.44 H new ATOM 1263 N SER A 85 -7.128 12.217 0.252 1.00 5.11 N ATOM 1264 CA SER A 85 -7.803 13.502 0.155 1.00 54.45 C ATOM 1265 C SER A 85 -7.497 14.347 1.387 1.00 65.14 C ATOM 1266 O SER A 85 -6.790 13.899 2.287 1.00 0.00 O ATOM 1267 CB SER A 85 -9.313 13.317 -0.003 1.00 60.51 C ATOM 1268 OG SER A 85 -9.618 12.613 -1.195 1.00 3.30 O ATOM 0 H SER A 85 -7.539 11.574 0.929 1.00 5.11 H new ATOM 0 HA SER A 85 -7.433 14.019 -0.730 1.00 54.45 H new ATOM 0 HB2 SER A 85 -9.708 12.774 0.855 1.00 60.51 H new ATOM 0 HB3 SER A 85 -9.803 14.291 -0.016 1.00 60.51 H new ATOM 0 HG SER A 85 -9.243 11.709 -1.146 1.00 3.30 H new