USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot 84:sc= 0.91 USER MOD Set 1.2: A 35 CYS SG : rot -83:sc= 0.523 USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0.0298 USER MOD Set 2.2: A 18 CYS SG : rot -90:sc= -0.0923 USER MOD Set 3.1: A 17 SER OG : rot 50:sc= 2.02 USER MOD Set 3.2: A 20 HIS : no HE2:sc= -0.878 K(o=2.2,f=-1.2) USER MOD Set 3.3: A 21 LYS NZ :NH3+ 175:sc= 1.04 (180deg=-0.0279) USER MOD Single : A 13 MET CE :methyl 161:sc= -0.192 (180deg=-0.782) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 100:sc=-0.00386 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc=-0.00638 (180deg=-0.12) USER MOD Single : A 29 HIS : no HE2:sc= 0.631 K(o=0.63,f=-4.8!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 43 LYS NZ :NH3+ 145:sc= 0.677 (180deg=-3.79!) USER MOD Single : A 45 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-2.6) USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= -0.79 (180deg=-0.8) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.3!) USER MOD Single : A 61 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -23:sc= 1.9 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 -9.149 -2.154 -6.421 1.00 1.02 N ATOM 47 CA VAL A 5 -8.339 -0.956 -6.547 1.00 0.98 C ATOM 48 C VAL A 5 -8.632 -0.100 -5.319 1.00 0.95 C ATOM 49 O VAL A 5 -9.802 0.132 -5.020 1.00 1.31 O ATOM 50 CB VAL A 5 -8.667 -0.173 -7.839 1.00 1.30 C ATOM 51 CG1 VAL A 5 -8.066 -0.856 -9.066 1.00 2.21 C ATOM 52 CG2 VAL A 5 -10.167 0.044 -8.091 1.00 2.84 C ATOM 0 HA VAL A 5 -7.284 -1.222 -6.609 1.00 0.98 H new ATOM 0 HB VAL A 5 -8.219 0.808 -7.680 1.00 1.30 H new ATOM 0 HG11 VAL A 5 -8.313 -0.283 -9.959 1.00 2.21 H new ATOM 0 HG12 VAL A 5 -6.983 -0.910 -8.958 1.00 2.21 H new ATOM 0 HG13 VAL A 5 -8.472 -1.863 -9.157 1.00 2.21 H new ATOM 0 HG21 VAL A 5 -10.303 0.601 -9.018 1.00 2.84 H new ATOM 0 HG22 VAL A 5 -10.666 -0.922 -8.172 1.00 2.84 H new ATOM 0 HG23 VAL A 5 -10.597 0.607 -7.263 1.00 2.84 H new ATOM 62 N LEU A 6 -7.607 0.375 -4.608 1.00 0.85 N ATOM 63 CA LEU A 6 -7.778 1.502 -3.700 1.00 0.99 C ATOM 64 C LEU A 6 -6.450 2.217 -3.493 1.00 0.75 C ATOM 65 O LEU A 6 -5.386 1.631 -3.711 1.00 0.74 O ATOM 66 CB LEU A 6 -8.462 1.106 -2.379 1.00 1.35 C ATOM 67 CG LEU A 6 -7.571 0.449 -1.315 1.00 1.57 C ATOM 68 CD1 LEU A 6 -8.466 0.051 -0.134 1.00 2.15 C ATOM 69 CD2 LEU A 6 -6.834 -0.785 -1.843 1.00 3.34 C ATOM 0 H LEU A 6 -6.660 -0.002 -4.645 1.00 0.85 H new ATOM 0 HA LEU A 6 -8.464 2.208 -4.167 1.00 0.99 H new ATOM 0 HB2 LEU A 6 -8.909 2.001 -1.945 1.00 1.35 H new ATOM 0 HB3 LEU A 6 -9.279 0.422 -2.610 1.00 1.35 H new ATOM 0 HG LEU A 6 -6.805 1.164 -1.014 1.00 1.57 H new ATOM 0 HD11 LEU A 6 -7.859 -0.420 0.640 1.00 2.15 H new ATOM 0 HD12 LEU A 6 -8.948 0.940 0.273 1.00 2.15 H new ATOM 0 HD13 LEU A 6 -9.227 -0.651 -0.475 1.00 2.15 H new ATOM 0 HD21 LEU A 6 -6.219 -1.209 -1.049 1.00 3.34 H new ATOM 0 HD22 LEU A 6 -7.559 -1.527 -2.176 1.00 3.34 H new ATOM 0 HD23 LEU A 6 -6.198 -0.498 -2.680 1.00 3.34 H new ATOM 81 N GLU A 7 -6.533 3.483 -3.076 1.00 0.69 N ATOM 82 CA GLU A 7 -5.388 4.318 -2.782 1.00 0.62 C ATOM 83 C GLU A 7 -5.319 4.550 -1.276 1.00 0.62 C ATOM 84 O GLU A 7 -6.280 5.039 -0.682 1.00 0.95 O ATOM 85 CB GLU A 7 -5.494 5.647 -3.533 1.00 0.74 C ATOM 86 CG GLU A 7 -5.619 5.430 -5.046 1.00 0.80 C ATOM 87 CD GLU A 7 -5.234 6.693 -5.792 1.00 1.41 C ATOM 88 OE1 GLU A 7 -5.675 7.793 -5.387 1.00 2.40 O ATOM 89 OE2 GLU A 7 -4.377 6.610 -6.701 1.00 2.20 O ATOM 0 H GLU A 7 -7.424 3.958 -2.933 1.00 0.69 H new ATOM 0 HA GLU A 7 -4.475 3.821 -3.111 1.00 0.62 H new ATOM 0 HB2 GLU A 7 -6.359 6.202 -3.171 1.00 0.74 H new ATOM 0 HB3 GLU A 7 -4.614 6.256 -3.323 1.00 0.74 H new ATOM 0 HG2 GLU A 7 -4.977 4.606 -5.356 1.00 0.80 H new ATOM 0 HG3 GLU A 7 -6.642 5.149 -5.297 1.00 0.80 H new ATOM 96 N LEU A 8 -4.182 4.205 -0.673 1.00 0.51 N ATOM 97 CA LEU A 8 -3.829 4.588 0.687 1.00 0.56 C ATOM 98 C LEU A 8 -2.686 5.582 0.540 1.00 0.52 C ATOM 99 O LEU A 8 -1.678 5.285 -0.104 1.00 0.51 O ATOM 100 CB LEU A 8 -3.444 3.391 1.583 1.00 0.67 C ATOM 101 CG LEU A 8 -2.759 2.269 0.801 1.00 0.88 C ATOM 102 CD1 LEU A 8 -1.822 1.474 1.707 1.00 1.13 C ATOM 103 CD2 LEU A 8 -3.779 1.300 0.187 1.00 1.57 C ATOM 0 H LEU A 8 -3.467 3.639 -1.130 1.00 0.51 H new ATOM 0 HA LEU A 8 -4.688 5.024 1.197 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -2.780 3.734 2.376 1.00 0.67 H new ATOM 0 HB3 LEU A 8 -4.340 2.999 2.065 1.00 0.67 H new ATOM 0 HG LEU A 8 -2.193 2.744 0.000 1.00 0.88 H new ATOM 0 HD11 LEU A 8 -1.345 0.681 1.131 1.00 1.13 H new ATOM 0 HD12 LEU A 8 -1.058 2.138 2.112 1.00 1.13 H new ATOM 0 HD13 LEU A 8 -2.393 1.035 2.525 1.00 1.13 H new ATOM 0 HD21 LEU A 8 -3.254 0.517 -0.360 1.00 1.57 H new ATOM 0 HD22 LEU A 8 -4.376 0.850 0.980 1.00 1.57 H new ATOM 0 HD23 LEU A 8 -4.432 1.844 -0.495 1.00 1.57 H new ATOM 115 N VAL A 9 -2.868 6.771 1.106 1.00 0.56 N ATOM 116 CA VAL A 9 -1.867 7.816 1.102 1.00 0.60 C ATOM 117 C VAL A 9 -0.881 7.434 2.205 1.00 0.54 C ATOM 118 O VAL A 9 -1.180 7.579 3.389 1.00 0.56 O ATOM 119 CB VAL A 9 -2.525 9.196 1.272 1.00 0.77 C ATOM 120 CG1 VAL A 9 -1.480 10.305 1.093 1.00 1.01 C ATOM 121 CG2 VAL A 9 -3.633 9.398 0.227 1.00 1.27 C ATOM 0 H VAL A 9 -3.729 7.033 1.585 1.00 0.56 H new ATOM 0 HA VAL A 9 -1.330 7.901 0.157 1.00 0.60 H new ATOM 0 HB VAL A 9 -2.953 9.243 2.273 1.00 0.77 H new ATOM 0 HG11 VAL A 9 -1.957 11.277 1.215 1.00 1.01 H new ATOM 0 HG12 VAL A 9 -0.695 10.189 1.840 1.00 1.01 H new ATOM 0 HG13 VAL A 9 -1.045 10.237 0.096 1.00 1.01 H new ATOM 0 HG21 VAL A 9 -4.087 10.380 0.363 1.00 1.27 H new ATOM 0 HG22 VAL A 9 -3.206 9.331 -0.774 1.00 1.27 H new ATOM 0 HG23 VAL A 9 -4.393 8.627 0.349 1.00 1.27 H new ATOM 131 N VAL A 10 0.249 6.852 1.811 1.00 0.60 N ATOM 132 CA VAL A 10 1.276 6.312 2.677 1.00 0.54 C ATOM 133 C VAL A 10 2.189 7.455 3.097 1.00 0.57 C ATOM 134 O VAL A 10 3.247 7.680 2.512 1.00 0.64 O ATOM 135 CB VAL A 10 2.025 5.163 1.978 1.00 0.49 C ATOM 136 CG1 VAL A 10 1.247 3.854 2.142 1.00 0.62 C ATOM 137 CG2 VAL A 10 2.234 5.400 0.481 1.00 0.81 C ATOM 0 H VAL A 10 0.478 6.742 0.823 1.00 0.60 H new ATOM 0 HA VAL A 10 0.840 5.875 3.575 1.00 0.54 H new ATOM 0 HB VAL A 10 3.004 5.110 2.454 1.00 0.49 H new ATOM 0 HG11 VAL A 10 1.784 3.047 1.644 1.00 0.62 H new ATOM 0 HG12 VAL A 10 1.144 3.622 3.202 1.00 0.62 H new ATOM 0 HG13 VAL A 10 0.258 3.960 1.696 1.00 0.62 H new ATOM 0 HG21 VAL A 10 2.768 4.553 0.050 1.00 0.81 H new ATOM 0 HG22 VAL A 10 1.266 5.507 -0.009 1.00 0.81 H new ATOM 0 HG23 VAL A 10 2.817 6.309 0.334 1.00 0.81 H new ATOM 147 N ARG A 11 1.781 8.179 4.138 1.00 0.61 N ATOM 148 CA ARG A 11 2.538 9.334 4.587 1.00 0.65 C ATOM 149 C ARG A 11 3.756 8.821 5.360 1.00 0.62 C ATOM 150 O ARG A 11 3.699 7.753 5.971 1.00 0.81 O ATOM 151 CB ARG A 11 1.652 10.240 5.452 1.00 0.83 C ATOM 152 CG ARG A 11 0.438 10.788 4.687 1.00 1.69 C ATOM 153 CD ARG A 11 -0.572 11.408 5.665 1.00 1.89 C ATOM 154 NE ARG A 11 -1.202 12.612 5.105 1.00 3.44 N ATOM 155 CZ ARG A 11 -2.199 12.671 4.205 1.00 5.10 C ATOM 156 NH1 ARG A 11 -2.877 11.583 3.830 1.00 5.63 N ATOM 157 NH2 ARG A 11 -2.504 13.859 3.675 1.00 6.73 N ATOM 0 H ARG A 11 0.938 7.985 4.678 1.00 0.61 H new ATOM 0 HA ARG A 11 2.875 9.935 3.742 1.00 0.65 H new ATOM 0 HB2 ARG A 11 1.306 9.680 6.321 1.00 0.83 H new ATOM 0 HB3 ARG A 11 2.247 11.073 5.826 1.00 0.83 H new ATOM 0 HG2 ARG A 11 0.762 11.537 3.965 1.00 1.69 H new ATOM 0 HG3 ARG A 11 -0.037 9.986 4.122 1.00 1.69 H new ATOM 0 HD2 ARG A 11 -1.341 10.674 5.908 1.00 1.89 H new ATOM 0 HD3 ARG A 11 -0.067 11.661 6.597 1.00 1.89 H new ATOM 0 HE ARG A 11 -0.841 13.506 5.438 1.00 3.44 H new ATOM 0 HH11 ARG A 11 -2.643 10.674 4.229 1.00 5.63 H new ATOM 0 HH12 ARG A 11 -3.628 11.661 3.145 1.00 5.63 H new ATOM 0 HH21 ARG A 11 -1.985 14.691 3.956 1.00 6.73 H new ATOM 0 HH22 ARG A 11 -3.256 13.934 2.990 1.00 6.73 H new ATOM 171 N GLY A 12 4.873 9.548 5.282 1.00 0.63 N ATOM 172 CA GLY A 12 6.123 9.178 5.934 1.00 0.68 C ATOM 173 C GLY A 12 7.218 8.785 4.940 1.00 0.61 C ATOM 174 O GLY A 12 8.386 8.746 5.317 1.00 0.81 O ATOM 0 H GLY A 12 4.931 10.420 4.757 1.00 0.63 H new ATOM 0 HA2 GLY A 12 6.472 10.014 6.540 1.00 0.68 H new ATOM 0 HA3 GLY A 12 5.940 8.346 6.614 1.00 0.68 H new ATOM 178 N MET A 13 6.874 8.487 3.679 1.00 0.71 N ATOM 179 CA MET A 13 7.882 8.228 2.666 1.00 0.81 C ATOM 180 C MET A 13 8.730 9.479 2.410 1.00 1.06 C ATOM 181 O MET A 13 8.372 10.584 2.816 1.00 1.88 O ATOM 182 CB MET A 13 7.201 7.796 1.370 1.00 1.48 C ATOM 183 CG MET A 13 6.423 6.485 1.504 1.00 0.80 C ATOM 184 SD MET A 13 5.447 6.051 0.044 1.00 1.33 S ATOM 185 CE MET A 13 6.664 6.347 -1.245 1.00 1.28 C ATOM 0 H MET A 13 5.912 8.422 3.348 1.00 0.71 H new ATOM 0 HA MET A 13 8.538 7.433 3.022 1.00 0.81 H new ATOM 0 HB2 MET A 13 6.520 8.583 1.045 1.00 1.48 H new ATOM 0 HB3 MET A 13 7.955 7.685 0.591 1.00 1.48 H new ATOM 0 HG2 MET A 13 7.126 5.678 1.711 1.00 0.80 H new ATOM 0 HG3 MET A 13 5.757 6.557 2.364 1.00 0.80 H new ATOM 0 HE1 MET A 13 6.365 5.825 -2.154 1.00 1.28 H new ATOM 0 HE2 MET A 13 6.729 7.416 -1.445 1.00 1.28 H new ATOM 0 HE3 MET A 13 7.637 5.979 -0.918 1.00 1.28 H new ATOM 195 N THR A 14 9.845 9.297 1.701 1.00 0.75 N ATOM 196 CA THR A 14 10.741 10.385 1.336 1.00 1.06 C ATOM 197 C THR A 14 11.499 10.083 0.039 1.00 0.80 C ATOM 198 O THR A 14 11.571 10.949 -0.831 1.00 0.91 O ATOM 199 CB THR A 14 11.644 10.759 2.528 1.00 1.59 C ATOM 200 OG1 THR A 14 12.518 11.811 2.174 1.00 2.37 O ATOM 201 CG2 THR A 14 12.474 9.594 3.077 1.00 2.08 C ATOM 0 H THR A 14 10.150 8.384 1.364 1.00 0.75 H new ATOM 0 HA THR A 14 10.152 11.274 1.111 1.00 1.06 H new ATOM 0 HB THR A 14 10.961 11.066 3.320 1.00 1.59 H new ATOM 0 HG1 THR A 14 13.084 12.038 2.941 1.00 2.37 H new ATOM 0 HG21 THR A 14 13.081 9.942 3.913 1.00 2.08 H new ATOM 0 HG22 THR A 14 11.808 8.801 3.417 1.00 2.08 H new ATOM 0 HG23 THR A 14 13.125 9.209 2.292 1.00 2.08 H new ATOM 209 N CYS A 15 12.052 8.871 -0.122 1.00 0.78 N ATOM 210 CA CYS A 15 12.978 8.570 -1.209 1.00 0.70 C ATOM 211 C CYS A 15 12.634 7.253 -1.903 1.00 0.62 C ATOM 212 O CYS A 15 11.820 6.467 -1.417 1.00 0.59 O ATOM 213 CB CYS A 15 14.408 8.549 -0.651 1.00 0.76 C ATOM 214 SG CYS A 15 14.806 7.122 0.394 1.00 1.25 S ATOM 0 H CYS A 15 11.867 8.081 0.497 1.00 0.78 H new ATOM 0 HA CYS A 15 12.895 9.347 -1.969 1.00 0.70 H new ATOM 0 HB2 CYS A 15 15.108 8.574 -1.486 1.00 0.76 H new ATOM 0 HB3 CYS A 15 14.569 9.459 -0.073 1.00 0.76 H new ATOM 0 HG CYS A 15 16.037 7.213 0.803 1.00 1.25 H new ATOM 219 N ALA A 16 13.313 6.995 -3.026 1.00 0.67 N ATOM 220 CA ALA A 16 13.215 5.759 -3.794 1.00 0.70 C ATOM 221 C ALA A 16 13.325 4.520 -2.902 1.00 0.63 C ATOM 222 O ALA A 16 12.698 3.494 -3.167 1.00 0.66 O ATOM 223 CB ALA A 16 14.307 5.744 -4.867 1.00 0.79 C ATOM 0 H ALA A 16 13.965 7.665 -3.434 1.00 0.67 H new ATOM 0 HA ALA A 16 12.233 5.726 -4.265 1.00 0.70 H new ATOM 0 HB1 ALA A 16 14.238 4.822 -5.444 1.00 0.79 H new ATOM 0 HB2 ALA A 16 14.176 6.598 -5.531 1.00 0.79 H new ATOM 0 HB3 ALA A 16 15.286 5.801 -4.391 1.00 0.79 H new ATOM 229 N SER A 17 14.124 4.593 -1.835 1.00 0.60 N ATOM 230 CA SER A 17 14.228 3.468 -0.930 1.00 0.65 C ATOM 231 C SER A 17 12.902 3.193 -0.218 1.00 0.61 C ATOM 232 O SER A 17 12.548 2.033 -0.016 1.00 0.76 O ATOM 233 CB SER A 17 15.403 3.604 0.043 1.00 0.83 C ATOM 234 OG SER A 17 15.700 2.322 0.571 1.00 2.32 O ATOM 0 H SER A 17 14.692 5.403 -1.588 1.00 0.60 H new ATOM 0 HA SER A 17 14.447 2.590 -1.538 1.00 0.65 H new ATOM 0 HB2 SER A 17 16.274 4.014 -0.469 1.00 0.83 H new ATOM 0 HB3 SER A 17 15.151 4.296 0.847 1.00 0.83 H new ATOM 0 HG SER A 17 15.778 1.676 -0.162 1.00 2.32 H new ATOM 240 N CYS A 18 12.152 4.232 0.153 1.00 0.54 N ATOM 241 CA CYS A 18 10.828 4.029 0.713 1.00 0.60 C ATOM 242 C CYS A 18 9.945 3.329 -0.318 1.00 0.55 C ATOM 243 O CYS A 18 9.294 2.339 0.004 1.00 0.60 O ATOM 244 CB CYS A 18 10.230 5.358 1.173 1.00 0.72 C ATOM 245 SG CYS A 18 11.199 6.205 2.445 1.00 0.88 S ATOM 0 H CYS A 18 12.439 5.208 0.075 1.00 0.54 H new ATOM 0 HA CYS A 18 10.895 3.390 1.594 1.00 0.60 H new ATOM 0 HB2 CYS A 18 10.129 6.016 0.310 1.00 0.72 H new ATOM 0 HB3 CYS A 18 9.226 5.179 1.556 1.00 0.72 H new ATOM 0 HG CYS A 18 10.798 5.824 3.621 1.00 0.88 H new ATOM 250 N VAL A 19 9.969 3.816 -1.563 1.00 0.48 N ATOM 251 CA VAL A 19 9.200 3.244 -2.665 1.00 0.43 C ATOM 252 C VAL A 19 9.454 1.740 -2.711 1.00 0.43 C ATOM 253 O VAL A 19 8.534 0.933 -2.562 1.00 0.42 O ATOM 254 CB VAL A 19 9.578 3.911 -4.005 1.00 0.46 C ATOM 255 CG1 VAL A 19 8.739 3.427 -5.197 1.00 0.53 C ATOM 256 CG2 VAL A 19 9.467 5.432 -3.908 1.00 0.52 C ATOM 0 H VAL A 19 10.528 4.625 -1.833 1.00 0.48 H new ATOM 0 HA VAL A 19 8.138 3.427 -2.502 1.00 0.43 H new ATOM 0 HB VAL A 19 10.610 3.614 -4.191 1.00 0.46 H new ATOM 0 HG11 VAL A 19 9.063 3.940 -6.102 1.00 0.53 H new ATOM 0 HG12 VAL A 19 8.871 2.352 -5.322 1.00 0.53 H new ATOM 0 HG13 VAL A 19 7.687 3.644 -5.013 1.00 0.53 H new ATOM 0 HG21 VAL A 19 9.738 5.878 -4.865 1.00 0.52 H new ATOM 0 HG22 VAL A 19 8.442 5.707 -3.657 1.00 0.52 H new ATOM 0 HG23 VAL A 19 10.141 5.797 -3.133 1.00 0.52 H new ATOM 266 N HIS A 20 10.724 1.365 -2.891 1.00 0.50 N ATOM 267 CA HIS A 20 11.069 -0.025 -3.063 1.00 0.59 C ATOM 268 C HIS A 20 10.795 -0.838 -1.795 1.00 0.59 C ATOM 269 O HIS A 20 10.468 -2.018 -1.899 1.00 0.64 O ATOM 270 CB HIS A 20 12.455 -0.164 -3.711 1.00 0.71 C ATOM 271 CG HIS A 20 13.716 0.184 -2.948 1.00 0.76 C ATOM 272 ND1 HIS A 20 14.917 0.512 -3.538 1.00 0.94 N ATOM 273 CD2 HIS A 20 13.967 0.016 -1.614 1.00 0.74 C ATOM 274 CE1 HIS A 20 15.855 0.558 -2.576 1.00 1.00 C ATOM 275 NE2 HIS A 20 15.323 0.280 -1.373 1.00 0.89 N ATOM 0 H HIS A 20 11.515 2.008 -2.919 1.00 0.50 H new ATOM 0 HA HIS A 20 10.403 -0.496 -3.786 1.00 0.59 H new ATOM 0 HB2 HIS A 20 12.553 -1.201 -4.033 1.00 0.71 H new ATOM 0 HB3 HIS A 20 12.448 0.450 -4.612 1.00 0.71 H new ATOM 0 HD1 HIS A 20 15.068 0.689 -4.531 1.00 0.94 H new ATOM 0 HD2 HIS A 20 13.240 -0.273 -0.869 1.00 0.74 H new ATOM 0 HE1 HIS A 20 16.896 0.788 -2.747 1.00 1.00 H new ATOM 283 N LYS A 21 10.869 -0.224 -0.605 1.00 0.59 N ATOM 284 CA LYS A 21 10.478 -0.893 0.626 1.00 0.64 C ATOM 285 C LYS A 21 8.998 -1.245 0.545 1.00 0.56 C ATOM 286 O LYS A 21 8.649 -2.413 0.713 1.00 0.60 O ATOM 287 CB LYS A 21 10.788 -0.036 1.864 1.00 0.76 C ATOM 288 CG LYS A 21 12.273 -0.108 2.234 1.00 1.26 C ATOM 289 CD LYS A 21 12.640 1.044 3.182 1.00 2.31 C ATOM 290 CE LYS A 21 14.075 0.939 3.715 1.00 3.18 C ATOM 291 NZ LYS A 21 15.081 0.835 2.637 1.00 4.58 N ATOM 0 H LYS A 21 11.197 0.734 -0.478 1.00 0.59 H new ATOM 0 HA LYS A 21 11.061 -1.808 0.735 1.00 0.64 H new ATOM 0 HB2 LYS A 21 10.509 1.000 1.671 1.00 0.76 H new ATOM 0 HB3 LYS A 21 10.185 -0.377 2.705 1.00 0.76 H new ATOM 0 HG2 LYS A 21 12.491 -1.064 2.710 1.00 1.26 H new ATOM 0 HG3 LYS A 21 12.883 -0.055 1.332 1.00 1.26 H new ATOM 0 HD2 LYS A 21 12.520 1.992 2.658 1.00 2.31 H new ATOM 0 HD3 LYS A 21 11.945 1.054 4.022 1.00 2.31 H new ATOM 0 HE2 LYS A 21 14.295 1.813 4.328 1.00 3.18 H new ATOM 0 HE3 LYS A 21 14.154 0.067 4.364 1.00 3.18 H new ATOM 0 HZ1 LYS A 21 16.035 0.852 3.050 1.00 4.58 H new ATOM 0 HZ2 LYS A 21 14.944 -0.056 2.119 1.00 4.58 H new ATOM 0 HZ3 LYS A 21 14.973 1.636 1.983 1.00 4.58 H new ATOM 305 N ILE A 22 8.126 -0.265 0.280 1.00 0.48 N ATOM 306 CA ILE A 22 6.698 -0.548 0.236 1.00 0.42 C ATOM 307 C ILE A 22 6.421 -1.621 -0.816 1.00 0.41 C ATOM 308 O ILE A 22 5.827 -2.648 -0.491 1.00 0.47 O ATOM 309 CB ILE A 22 5.847 0.717 0.017 1.00 0.42 C ATOM 310 CG1 ILE A 22 6.324 1.864 0.925 1.00 0.60 C ATOM 311 CG2 ILE A 22 4.365 0.372 0.228 1.00 0.67 C ATOM 312 CD1 ILE A 22 5.235 2.745 1.534 1.00 0.67 C ATOM 0 H ILE A 22 8.381 0.706 0.098 1.00 0.48 H new ATOM 0 HA ILE A 22 6.397 -0.930 1.212 1.00 0.42 H new ATOM 0 HB ILE A 22 5.967 1.071 -1.007 1.00 0.42 H new ATOM 0 HG12 ILE A 22 6.911 1.435 1.737 1.00 0.60 H new ATOM 0 HG13 ILE A 22 6.995 2.500 0.348 1.00 0.60 H new ATOM 0 HG21 ILE A 22 3.758 1.264 0.074 1.00 0.67 H new ATOM 0 HG22 ILE A 22 4.066 -0.398 -0.484 1.00 0.67 H new ATOM 0 HG23 ILE A 22 4.218 0.004 1.243 1.00 0.67 H new ATOM 0 HD11 ILE A 22 5.694 3.516 2.153 1.00 0.67 H new ATOM 0 HD12 ILE A 22 4.659 3.215 0.737 1.00 0.67 H new ATOM 0 HD13 ILE A 22 4.573 2.134 2.148 1.00 0.67 H new ATOM 324 N GLU A 23 6.862 -1.418 -2.062 1.00 0.41 N ATOM 325 CA GLU A 23 6.559 -2.370 -3.123 1.00 0.50 C ATOM 326 C GLU A 23 7.131 -3.752 -2.804 1.00 0.62 C ATOM 327 O GLU A 23 6.386 -4.727 -2.766 1.00 0.70 O ATOM 328 CB GLU A 23 6.991 -1.846 -4.498 1.00 0.60 C ATOM 329 CG GLU A 23 6.274 -0.524 -4.802 1.00 1.14 C ATOM 330 CD GLU A 23 6.450 -0.051 -6.240 1.00 1.34 C ATOM 331 OE1 GLU A 23 7.474 -0.432 -6.846 1.00 1.92 O ATOM 332 OE2 GLU A 23 5.557 0.701 -6.696 1.00 2.29 O ATOM 0 H GLU A 23 7.420 -0.615 -2.353 1.00 0.41 H new ATOM 0 HA GLU A 23 5.476 -2.484 -3.173 1.00 0.50 H new ATOM 0 HB2 GLU A 23 8.071 -1.697 -4.517 1.00 0.60 H new ATOM 0 HB3 GLU A 23 6.757 -2.582 -5.267 1.00 0.60 H new ATOM 0 HG2 GLU A 23 5.210 -0.641 -4.595 1.00 1.14 H new ATOM 0 HG3 GLU A 23 6.648 0.246 -4.127 1.00 1.14 H new ATOM 339 N SER A 24 8.432 -3.850 -2.517 1.00 0.69 N ATOM 340 CA SER A 24 9.052 -5.136 -2.217 1.00 0.83 C ATOM 341 C SER A 24 8.382 -5.807 -1.014 1.00 0.86 C ATOM 342 O SER A 24 8.304 -7.035 -0.959 1.00 1.17 O ATOM 343 CB SER A 24 10.558 -4.974 -1.982 1.00 0.93 C ATOM 344 OG SER A 24 11.192 -6.240 -1.941 1.00 1.67 O ATOM 0 H SER A 24 9.071 -3.056 -2.487 1.00 0.69 H new ATOM 0 HA SER A 24 8.910 -5.784 -3.082 1.00 0.83 H new ATOM 0 HB2 SER A 24 10.993 -4.368 -2.777 1.00 0.93 H new ATOM 0 HB3 SER A 24 10.731 -4.443 -1.046 1.00 0.93 H new ATOM 0 HG SER A 24 12.153 -6.120 -1.792 1.00 1.67 H new ATOM 350 N SER A 25 7.939 -5.024 -0.027 1.00 0.67 N ATOM 351 CA SER A 25 7.242 -5.572 1.123 1.00 0.70 C ATOM 352 C SER A 25 5.849 -6.074 0.726 1.00 0.56 C ATOM 353 O SER A 25 5.419 -7.128 1.190 1.00 0.66 O ATOM 354 CB SER A 25 7.192 -4.534 2.248 1.00 0.85 C ATOM 355 OG SER A 25 6.734 -5.140 3.442 1.00 1.15 O ATOM 0 H SER A 25 8.054 -4.011 -0.008 1.00 0.67 H new ATOM 0 HA SER A 25 7.790 -6.436 1.499 1.00 0.70 H new ATOM 0 HB2 SER A 25 8.182 -4.106 2.404 1.00 0.85 H new ATOM 0 HB3 SER A 25 6.530 -3.714 1.969 1.00 0.85 H new ATOM 0 HG SER A 25 7.499 -5.344 4.019 1.00 1.15 H new ATOM 361 N LEU A 26 5.122 -5.316 -0.096 1.00 0.48 N ATOM 362 CA LEU A 26 3.771 -5.663 -0.511 1.00 0.54 C ATOM 363 C LEU A 26 3.749 -6.846 -1.476 1.00 0.60 C ATOM 364 O LEU A 26 3.090 -7.849 -1.192 1.00 0.72 O ATOM 365 CB LEU A 26 3.081 -4.455 -1.147 1.00 0.59 C ATOM 366 CG LEU A 26 2.615 -3.402 -0.133 1.00 0.74 C ATOM 367 CD1 LEU A 26 2.052 -2.215 -0.915 1.00 2.42 C ATOM 368 CD2 LEU A 26 1.554 -3.891 0.862 1.00 1.69 C ATOM 0 H LEU A 26 5.460 -4.439 -0.493 1.00 0.48 H new ATOM 0 HA LEU A 26 3.227 -5.961 0.385 1.00 0.54 H new ATOM 0 HB2 LEU A 26 3.767 -3.987 -1.853 1.00 0.59 H new ATOM 0 HB3 LEU A 26 2.220 -4.800 -1.720 1.00 0.59 H new ATOM 0 HG LEU A 26 3.484 -3.139 0.470 1.00 0.74 H new ATOM 0 HD11 LEU A 26 1.712 -1.449 -0.218 1.00 2.42 H new ATOM 0 HD12 LEU A 26 2.829 -1.802 -1.558 1.00 2.42 H new ATOM 0 HD13 LEU A 26 1.213 -2.547 -1.527 1.00 2.42 H new ATOM 0 HD21 LEU A 26 1.287 -3.079 1.538 1.00 1.69 H new ATOM 0 HD22 LEU A 26 0.667 -4.216 0.318 1.00 1.69 H new ATOM 0 HD23 LEU A 26 1.953 -4.726 1.438 1.00 1.69 H new ATOM 380 N THR A 27 4.410 -6.702 -2.629 1.00 0.62 N ATOM 381 CA THR A 27 4.302 -7.572 -3.796 1.00 0.87 C ATOM 382 C THR A 27 4.925 -8.945 -3.522 1.00 1.19 C ATOM 383 O THR A 27 5.957 -9.302 -4.085 1.00 1.91 O ATOM 384 CB THR A 27 4.960 -6.867 -4.994 1.00 1.17 C ATOM 385 OG1 THR A 27 4.641 -5.492 -4.978 1.00 2.39 O ATOM 386 CG2 THR A 27 4.504 -7.462 -6.330 1.00 1.31 C ATOM 0 H THR A 27 5.067 -5.936 -2.777 1.00 0.62 H new ATOM 0 HA THR A 27 3.252 -7.755 -4.026 1.00 0.87 H new ATOM 0 HB THR A 27 6.036 -7.011 -4.901 1.00 1.17 H new ATOM 0 HG1 THR A 27 5.260 -5.019 -4.383 1.00 2.39 H new ATOM 0 HG21 THR A 27 4.993 -6.935 -7.149 1.00 1.31 H new ATOM 0 HG22 THR A 27 4.771 -8.518 -6.368 1.00 1.31 H new ATOM 0 HG23 THR A 27 3.423 -7.357 -6.425 1.00 1.31 H new ATOM 394 N LYS A 28 4.283 -9.700 -2.634 1.00 1.23 N ATOM 395 CA LYS A 28 4.729 -10.957 -2.054 1.00 1.40 C ATOM 396 C LYS A 28 3.706 -11.474 -1.038 1.00 1.05 C ATOM 397 O LYS A 28 3.529 -12.686 -0.934 1.00 1.10 O ATOM 398 CB LYS A 28 6.146 -10.855 -1.453 1.00 1.98 C ATOM 399 CG LYS A 28 6.345 -9.751 -0.400 1.00 2.11 C ATOM 400 CD LYS A 28 5.915 -10.184 1.015 1.00 2.32 C ATOM 401 CE LYS A 28 6.938 -9.794 2.093 1.00 2.97 C ATOM 402 NZ LYS A 28 8.215 -10.522 1.947 1.00 4.24 N ATOM 0 H LYS A 28 3.368 -9.425 -2.276 1.00 1.23 H new ATOM 0 HA LYS A 28 4.798 -11.688 -2.860 1.00 1.40 H new ATOM 0 HB2 LYS A 28 6.399 -11.814 -1.000 1.00 1.98 H new ATOM 0 HB3 LYS A 28 6.854 -10.689 -2.265 1.00 1.98 H new ATOM 0 HG2 LYS A 28 7.395 -9.459 -0.381 1.00 2.11 H new ATOM 0 HG3 LYS A 28 5.775 -8.870 -0.693 1.00 2.11 H new ATOM 0 HD2 LYS A 28 4.953 -9.730 1.252 1.00 2.32 H new ATOM 0 HD3 LYS A 28 5.771 -11.264 1.031 1.00 2.32 H new ATOM 0 HE2 LYS A 28 7.126 -8.722 2.040 1.00 2.97 H new ATOM 0 HE3 LYS A 28 6.518 -9.996 3.078 1.00 2.97 H new ATOM 0 HZ1 LYS A 28 8.764 -10.439 2.826 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 8.022 -11.525 1.752 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 8.759 -10.115 1.160 1.00 4.24 H new ATOM 416 N HIS A 29 3.027 -10.598 -0.280 1.00 0.93 N ATOM 417 CA HIS A 29 1.964 -11.073 0.595 1.00 1.08 C ATOM 418 C HIS A 29 0.804 -11.574 -0.266 1.00 0.93 C ATOM 419 O HIS A 29 0.382 -10.896 -1.205 1.00 1.25 O ATOM 420 CB HIS A 29 1.544 -10.021 1.638 1.00 1.44 C ATOM 421 CG HIS A 29 0.601 -8.931 1.183 1.00 0.80 C ATOM 422 ND1 HIS A 29 -0.729 -9.093 0.855 1.00 1.44 N ATOM 423 CD2 HIS A 29 0.826 -7.585 1.295 1.00 0.76 C ATOM 424 CE1 HIS A 29 -1.270 -7.871 0.728 1.00 2.09 C ATOM 425 NE2 HIS A 29 -0.363 -6.917 0.991 1.00 1.69 N ATOM 0 H HIS A 29 3.193 -9.592 -0.259 1.00 0.93 H new ATOM 0 HA HIS A 29 2.333 -11.908 1.191 1.00 1.08 H new ATOM 0 HB2 HIS A 29 1.078 -10.542 2.474 1.00 1.44 H new ATOM 0 HB3 HIS A 29 2.447 -9.547 2.021 1.00 1.44 H new ATOM 0 HD1 HIS A 29 -1.214 -9.982 0.731 1.00 1.44 H new ATOM 0 HD2 HIS A 29 1.761 -7.120 1.571 1.00 0.76 H new ATOM 0 HE1 HIS A 29 -2.297 -7.681 0.452 1.00 2.09 H new ATOM 433 N ARG A 30 0.285 -12.764 0.048 1.00 1.02 N ATOM 434 CA ARG A 30 -0.875 -13.294 -0.649 1.00 1.21 C ATOM 435 C ARG A 30 -2.017 -12.280 -0.581 1.00 1.49 C ATOM 436 O ARG A 30 -2.127 -11.520 0.381 1.00 2.85 O ATOM 437 CB ARG A 30 -1.311 -14.636 -0.049 1.00 1.53 C ATOM 438 CG ARG A 30 -0.271 -15.737 -0.295 1.00 2.42 C ATOM 439 CD ARG A 30 -0.828 -17.092 0.159 1.00 3.03 C ATOM 440 NE ARG A 30 0.122 -18.181 -0.123 1.00 4.20 N ATOM 441 CZ ARG A 30 -0.136 -19.487 0.053 1.00 5.09 C ATOM 442 NH1 ARG A 30 -1.320 -19.871 0.545 1.00 5.00 N ATOM 443 NH2 ARG A 30 0.787 -20.402 -0.263 1.00 6.47 N ATOM 0 H ARG A 30 0.653 -13.372 0.779 1.00 1.02 H new ATOM 0 HA ARG A 30 -0.609 -13.468 -1.692 1.00 1.21 H new ATOM 0 HB2 ARG A 30 -1.470 -14.520 1.023 1.00 1.53 H new ATOM 0 HB3 ARG A 30 -2.265 -14.935 -0.482 1.00 1.53 H new ATOM 0 HG2 ARG A 30 -0.013 -15.776 -1.353 1.00 2.42 H new ATOM 0 HG3 ARG A 30 0.646 -15.511 0.248 1.00 2.42 H new ATOM 0 HD2 ARG A 30 -1.042 -17.060 1.227 1.00 3.03 H new ATOM 0 HD3 ARG A 30 -1.772 -17.289 -0.349 1.00 3.03 H new ATOM 0 HE ARG A 30 1.043 -17.925 -0.478 1.00 4.20 H new ATOM 0 HH11 ARG A 30 -2.023 -19.172 0.785 1.00 5.00 H new ATOM 0 HH12 ARG A 30 -1.519 -20.862 0.680 1.00 5.00 H new ATOM 0 HH21 ARG A 30 1.689 -20.108 -0.638 1.00 6.47 H new ATOM 0 HH22 ARG A 30 0.589 -21.394 -0.129 1.00 6.47 H new ATOM 457 N GLY A 31 -2.849 -12.249 -1.619 1.00 0.72 N ATOM 458 CA GLY A 31 -3.995 -11.365 -1.669 1.00 0.88 C ATOM 459 C GLY A 31 -3.691 -10.048 -2.369 1.00 0.71 C ATOM 460 O GLY A 31 -4.610 -9.506 -2.976 1.00 0.74 O ATOM 0 H GLY A 31 -2.742 -12.838 -2.445 1.00 0.72 H new ATOM 0 HA2 GLY A 31 -4.813 -11.866 -2.186 1.00 0.88 H new ATOM 0 HA3 GLY A 31 -4.337 -11.162 -0.654 1.00 0.88 H new ATOM 464 N ILE A 32 -2.446 -9.541 -2.360 1.00 0.70 N ATOM 465 CA ILE A 32 -2.133 -8.452 -3.264 1.00 0.60 C ATOM 466 C ILE A 32 -1.975 -9.070 -4.648 1.00 0.75 C ATOM 467 O ILE A 32 -1.241 -10.039 -4.836 1.00 0.95 O ATOM 468 CB ILE A 32 -0.918 -7.605 -2.812 1.00 0.50 C ATOM 469 CG1 ILE A 32 -1.424 -6.164 -2.666 1.00 0.67 C ATOM 470 CG2 ILE A 32 0.276 -7.651 -3.778 1.00 0.85 C ATOM 471 CD1 ILE A 32 -0.319 -5.232 -2.186 1.00 1.69 C ATOM 0 H ILE A 32 -1.682 -9.857 -1.763 1.00 0.70 H new ATOM 0 HA ILE A 32 -2.940 -7.720 -3.273 1.00 0.60 H new ATOM 0 HB ILE A 32 -0.536 -8.015 -1.877 1.00 0.50 H new ATOM 0 HG12 ILE A 32 -1.807 -5.813 -3.624 1.00 0.67 H new ATOM 0 HG13 ILE A 32 -2.255 -6.138 -1.961 1.00 0.67 H new ATOM 0 HG21 ILE A 32 1.084 -7.032 -3.388 1.00 0.85 H new ATOM 0 HG22 ILE A 32 0.623 -8.679 -3.879 1.00 0.85 H new ATOM 0 HG23 ILE A 32 -0.031 -7.274 -4.754 1.00 0.85 H new ATOM 0 HD11 ILE A 32 -0.712 -4.219 -2.093 1.00 1.69 H new ATOM 0 HD12 ILE A 32 0.046 -5.570 -1.216 1.00 1.69 H new ATOM 0 HD13 ILE A 32 0.501 -5.239 -2.905 1.00 1.69 H new ATOM 483 N LEU A 33 -2.714 -8.520 -5.603 1.00 0.79 N ATOM 484 CA LEU A 33 -2.598 -8.841 -7.005 1.00 0.92 C ATOM 485 C LEU A 33 -1.512 -7.941 -7.586 1.00 0.92 C ATOM 486 O LEU A 33 -0.653 -8.412 -8.327 1.00 1.05 O ATOM 487 CB LEU A 33 -3.951 -8.624 -7.689 1.00 0.99 C ATOM 488 CG LEU A 33 -5.080 -9.453 -7.058 1.00 1.90 C ATOM 489 CD1 LEU A 33 -6.419 -8.997 -7.641 1.00 2.75 C ATOM 490 CD2 LEU A 33 -4.886 -10.952 -7.314 1.00 2.48 C ATOM 0 H LEU A 33 -3.429 -7.819 -5.410 1.00 0.79 H new ATOM 0 HA LEU A 33 -2.323 -9.884 -7.163 1.00 0.92 H new ATOM 0 HB2 LEU A 33 -4.212 -7.567 -7.639 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -3.864 -8.882 -8.745 1.00 0.99 H new ATOM 0 HG LEU A 33 -5.065 -9.295 -5.980 1.00 1.90 H new ATOM 0 HD11 LEU A 33 -7.226 -9.581 -7.198 1.00 2.75 H new ATOM 0 HD12 LEU A 33 -6.571 -7.941 -7.420 1.00 2.75 H new ATOM 0 HD13 LEU A 33 -6.415 -9.144 -8.721 1.00 2.75 H new ATOM 0 HD21 LEU A 33 -5.703 -11.508 -6.854 1.00 2.48 H new ATOM 0 HD22 LEU A 33 -4.879 -11.140 -8.388 1.00 2.48 H new ATOM 0 HD23 LEU A 33 -3.938 -11.275 -6.883 1.00 2.48 H new ATOM 502 N TYR A 34 -1.528 -6.648 -7.233 1.00 0.84 N ATOM 503 CA TYR A 34 -0.485 -5.723 -7.636 1.00 0.88 C ATOM 504 C TYR A 34 -0.452 -4.564 -6.642 1.00 0.81 C ATOM 505 O TYR A 34 -1.403 -4.358 -5.891 1.00 1.03 O ATOM 506 CB TYR A 34 -0.767 -5.261 -9.073 1.00 0.99 C ATOM 507 CG TYR A 34 0.257 -4.323 -9.678 1.00 1.07 C ATOM 508 CD1 TYR A 34 1.547 -4.798 -9.971 1.00 2.09 C ATOM 509 CD2 TYR A 34 -0.101 -3.006 -10.017 1.00 1.71 C ATOM 510 CE1 TYR A 34 2.479 -3.954 -10.599 1.00 2.26 C ATOM 511 CE2 TYR A 34 0.823 -2.170 -10.668 1.00 1.80 C ATOM 512 CZ TYR A 34 2.122 -2.638 -10.937 1.00 1.48 C ATOM 513 OH TYR A 34 3.020 -1.841 -11.582 1.00 1.77 O ATOM 0 H TYR A 34 -2.262 -6.226 -6.665 1.00 0.84 H new ATOM 0 HA TYR A 34 0.498 -6.194 -7.628 1.00 0.88 H new ATOM 0 HB2 TYR A 34 -0.845 -6.143 -9.709 1.00 0.99 H new ATOM 0 HB3 TYR A 34 -1.739 -4.768 -9.092 1.00 0.99 H new ATOM 0 HD1 TYR A 34 1.822 -5.810 -9.714 1.00 2.09 H new ATOM 0 HD2 TYR A 34 -1.087 -2.636 -9.777 1.00 1.71 H new ATOM 0 HE1 TYR A 34 3.471 -4.318 -10.822 1.00 2.26 H new ATOM 0 HE2 TYR A 34 0.536 -1.171 -10.961 1.00 1.80 H new ATOM 0 HH TYR A 34 2.619 -0.962 -11.745 1.00 1.77 H new ATOM 523 N CYS A 35 0.627 -3.785 -6.659 1.00 0.66 N ATOM 524 CA CYS A 35 0.656 -2.445 -6.102 1.00 0.73 C ATOM 525 C CYS A 35 1.444 -1.585 -7.071 1.00 0.79 C ATOM 526 O CYS A 35 2.210 -2.111 -7.876 1.00 1.12 O ATOM 527 CB CYS A 35 1.329 -2.377 -4.723 1.00 0.90 C ATOM 528 SG CYS A 35 3.086 -2.764 -4.871 1.00 2.03 S ATOM 0 H CYS A 35 1.516 -4.076 -7.067 1.00 0.66 H new ATOM 0 HA CYS A 35 -0.370 -2.104 -5.965 1.00 0.73 H new ATOM 0 HB2 CYS A 35 1.202 -1.382 -4.297 1.00 0.90 H new ATOM 0 HB3 CYS A 35 0.850 -3.079 -4.041 1.00 0.90 H new ATOM 0 HG CYS A 35 3.248 -4.054 -4.870 1.00 2.03 H new ATOM 534 N SER A 36 1.283 -0.271 -6.968 1.00 0.62 N ATOM 535 CA SER A 36 2.322 0.651 -7.378 1.00 0.77 C ATOM 536 C SER A 36 2.283 1.810 -6.393 1.00 0.64 C ATOM 537 O SER A 36 1.188 2.269 -6.053 1.00 0.76 O ATOM 538 CB SER A 36 2.113 1.094 -8.827 1.00 1.12 C ATOM 539 OG SER A 36 3.186 1.909 -9.254 1.00 1.80 O ATOM 0 H SER A 36 0.441 0.175 -6.603 1.00 0.62 H new ATOM 0 HA SER A 36 3.308 0.186 -7.359 1.00 0.77 H new ATOM 0 HB2 SER A 36 2.033 0.220 -9.473 1.00 1.12 H new ATOM 0 HB3 SER A 36 1.175 1.642 -8.914 1.00 1.12 H new ATOM 0 HG SER A 36 3.039 2.183 -10.183 1.00 1.80 H new ATOM 545 N VAL A 37 3.447 2.235 -5.898 1.00 0.59 N ATOM 546 CA VAL A 37 3.560 3.323 -4.944 1.00 0.54 C ATOM 547 C VAL A 37 4.315 4.492 -5.574 1.00 0.58 C ATOM 548 O VAL A 37 5.221 4.289 -6.380 1.00 0.81 O ATOM 549 CB VAL A 37 4.195 2.794 -3.646 1.00 0.62 C ATOM 550 CG1 VAL A 37 5.710 2.697 -3.757 1.00 1.74 C ATOM 551 CG2 VAL A 37 3.882 3.668 -2.433 1.00 1.51 C ATOM 0 H VAL A 37 4.344 1.824 -6.156 1.00 0.59 H new ATOM 0 HA VAL A 37 2.578 3.712 -4.676 1.00 0.54 H new ATOM 0 HB VAL A 37 3.757 1.806 -3.504 1.00 0.62 H new ATOM 0 HG11 VAL A 37 6.120 2.320 -2.820 1.00 1.74 H new ATOM 0 HG12 VAL A 37 5.973 2.018 -4.568 1.00 1.74 H new ATOM 0 HG13 VAL A 37 6.124 3.684 -3.962 1.00 1.74 H new ATOM 0 HG21 VAL A 37 4.356 3.245 -1.548 1.00 1.51 H new ATOM 0 HG22 VAL A 37 4.263 4.675 -2.602 1.00 1.51 H new ATOM 0 HG23 VAL A 37 2.803 3.708 -2.282 1.00 1.51 H new ATOM 561 N ALA A 38 3.946 5.724 -5.217 1.00 0.53 N ATOM 562 CA ALA A 38 4.645 6.911 -5.677 1.00 0.58 C ATOM 563 C ALA A 38 4.701 7.962 -4.577 1.00 0.61 C ATOM 564 O ALA A 38 3.696 8.260 -3.931 1.00 0.65 O ATOM 565 CB ALA A 38 3.983 7.493 -6.922 1.00 0.64 C ATOM 0 H ALA A 38 3.156 5.920 -4.602 1.00 0.53 H new ATOM 0 HA ALA A 38 5.662 6.616 -5.935 1.00 0.58 H new ATOM 0 HB1 ALA A 38 4.528 8.381 -7.243 1.00 0.64 H new ATOM 0 HB2 ALA A 38 3.995 6.751 -7.721 1.00 0.64 H new ATOM 0 HB3 ALA A 38 2.952 7.764 -6.693 1.00 0.64 H new ATOM 571 N LEU A 39 5.890 8.545 -4.417 1.00 0.65 N ATOM 572 CA LEU A 39 6.169 9.608 -3.463 1.00 0.69 C ATOM 573 C LEU A 39 5.507 10.923 -3.878 1.00 0.73 C ATOM 574 O LEU A 39 5.124 11.718 -3.026 1.00 0.76 O ATOM 575 CB LEU A 39 7.683 9.755 -3.228 1.00 0.88 C ATOM 576 CG LEU A 39 8.504 10.417 -4.351 1.00 1.15 C ATOM 577 CD1 LEU A 39 9.940 10.606 -3.847 1.00 1.68 C ATOM 578 CD2 LEU A 39 8.548 9.597 -5.647 1.00 2.62 C ATOM 0 H LEU A 39 6.707 8.279 -4.967 1.00 0.65 H new ATOM 0 HA LEU A 39 5.725 9.330 -2.507 1.00 0.69 H new ATOM 0 HB2 LEU A 39 7.830 10.333 -2.315 1.00 0.88 H new ATOM 0 HB3 LEU A 39 8.096 8.763 -3.047 1.00 0.88 H new ATOM 0 HG LEU A 39 8.018 11.363 -4.590 1.00 1.15 H new ATOM 0 HD11 LEU A 39 10.541 11.074 -4.627 1.00 1.68 H new ATOM 0 HD12 LEU A 39 9.934 11.243 -2.962 1.00 1.68 H new ATOM 0 HD13 LEU A 39 10.367 9.636 -3.593 1.00 1.68 H new ATOM 0 HD21 LEU A 39 9.143 10.125 -6.392 1.00 2.62 H new ATOM 0 HD22 LEU A 39 8.997 8.624 -5.447 1.00 2.62 H new ATOM 0 HD23 LEU A 39 7.535 9.458 -6.024 1.00 2.62 H new ATOM 590 N ALA A 40 5.329 11.138 -5.188 1.00 0.83 N ATOM 591 CA ALA A 40 4.817 12.378 -5.763 1.00 0.97 C ATOM 592 C ALA A 40 3.532 12.844 -5.077 1.00 0.91 C ATOM 593 O ALA A 40 3.339 14.035 -4.856 1.00 1.04 O ATOM 594 CB ALA A 40 4.590 12.185 -7.265 1.00 1.18 C ATOM 0 H ALA A 40 5.545 10.432 -5.892 1.00 0.83 H new ATOM 0 HA ALA A 40 5.560 13.159 -5.602 1.00 0.97 H new ATOM 0 HB1 ALA A 40 4.208 13.110 -7.697 1.00 1.18 H new ATOM 0 HB2 ALA A 40 5.533 11.923 -7.745 1.00 1.18 H new ATOM 0 HB3 ALA A 40 3.868 11.384 -7.424 1.00 1.18 H new ATOM 600 N THR A 41 2.656 11.894 -4.739 1.00 0.81 N ATOM 601 CA THR A 41 1.469 12.139 -3.929 1.00 0.82 C ATOM 602 C THR A 41 1.393 11.125 -2.781 1.00 0.88 C ATOM 603 O THR A 41 0.308 10.746 -2.349 1.00 1.23 O ATOM 604 CB THR A 41 0.233 12.111 -4.838 1.00 1.09 C ATOM 605 OG1 THR A 41 0.319 11.063 -5.786 1.00 2.46 O ATOM 606 CG2 THR A 41 0.070 13.432 -5.595 1.00 2.31 C ATOM 0 H THR A 41 2.757 10.921 -5.027 1.00 0.81 H new ATOM 0 HA THR A 41 1.516 13.124 -3.465 1.00 0.82 H new ATOM 0 HB THR A 41 -0.629 11.951 -4.190 1.00 1.09 H new ATOM 0 HG1 THR A 41 -0.482 11.067 -6.351 1.00 2.46 H new ATOM 0 HG21 THR A 41 -0.814 13.381 -6.230 1.00 2.31 H new ATOM 0 HG22 THR A 41 -0.043 14.249 -4.882 1.00 2.31 H new ATOM 0 HG23 THR A 41 0.951 13.608 -6.213 1.00 2.31 H new ATOM 614 N ASN A 42 2.568 10.707 -2.295 1.00 0.70 N ATOM 615 CA ASN A 42 2.813 9.724 -1.239 1.00 0.70 C ATOM 616 C ASN A 42 1.687 8.698 -1.121 1.00 0.66 C ATOM 617 O ASN A 42 1.032 8.616 -0.085 1.00 0.71 O ATOM 618 CB ASN A 42 3.090 10.431 0.095 1.00 0.74 C ATOM 619 CG ASN A 42 4.401 11.209 0.058 1.00 0.95 C ATOM 620 OD1 ASN A 42 5.468 10.628 -0.109 1.00 2.39 O ATOM 621 ND2 ASN A 42 4.343 12.529 0.212 1.00 1.94 N ATOM 0 H ASN A 42 3.443 11.080 -2.663 1.00 0.70 H new ATOM 0 HA ASN A 42 3.703 9.158 -1.515 1.00 0.70 H new ATOM 0 HB2 ASN A 42 2.269 11.111 0.324 1.00 0.74 H new ATOM 0 HB3 ASN A 42 3.127 9.694 0.897 1.00 0.74 H new ATOM 0 HD21 ASN A 42 5.199 13.083 0.193 1.00 1.94 H new ATOM 0 HD22 ASN A 42 3.442 12.987 0.349 1.00 1.94 H new ATOM 628 N LYS A 43 1.456 7.918 -2.181 1.00 0.68 N ATOM 629 CA LYS A 43 0.334 6.993 -2.251 1.00 0.68 C ATOM 630 C LYS A 43 0.775 5.619 -2.728 1.00 0.64 C ATOM 631 O LYS A 43 1.657 5.532 -3.578 1.00 0.71 O ATOM 632 CB LYS A 43 -0.778 7.550 -3.150 1.00 0.88 C ATOM 633 CG LYS A 43 -0.284 7.932 -4.553 1.00 1.66 C ATOM 634 CD LYS A 43 -1.426 7.968 -5.576 1.00 1.46 C ATOM 635 CE LYS A 43 -2.536 8.946 -5.167 1.00 1.32 C ATOM 636 NZ LYS A 43 -3.585 9.024 -6.200 1.00 1.68 N ATOM 0 H LYS A 43 2.046 7.914 -3.013 1.00 0.68 H new ATOM 0 HA LYS A 43 -0.064 6.881 -1.243 1.00 0.68 H new ATOM 0 HB2 LYS A 43 -1.570 6.807 -3.240 1.00 0.88 H new ATOM 0 HB3 LYS A 43 -1.216 8.427 -2.674 1.00 0.88 H new ATOM 0 HG2 LYS A 43 0.198 8.909 -4.514 1.00 1.66 H new ATOM 0 HG3 LYS A 43 0.471 7.217 -4.878 1.00 1.66 H new ATOM 0 HD2 LYS A 43 -1.031 8.256 -6.550 1.00 1.46 H new ATOM 0 HD3 LYS A 43 -1.846 6.968 -5.685 1.00 1.46 H new ATOM 0 HE2 LYS A 43 -2.976 8.627 -4.222 1.00 1.32 H new ATOM 0 HE3 LYS A 43 -2.110 9.936 -5.002 1.00 1.32 H new ATOM 0 HZ1 LYS A 43 -4.511 9.155 -5.745 1.00 1.68 H new ATOM 0 HZ2 LYS A 43 -3.392 9.828 -6.830 1.00 1.68 H new ATOM 0 HZ3 LYS A 43 -3.593 8.144 -6.754 1.00 1.68 H new ATOM 650 N ALA A 44 0.129 4.573 -2.201 1.00 0.62 N ATOM 651 CA ALA A 44 0.151 3.225 -2.741 1.00 0.65 C ATOM 652 C ALA A 44 -1.223 2.979 -3.345 1.00 0.62 C ATOM 653 O ALA A 44 -2.219 3.019 -2.621 1.00 0.75 O ATOM 654 CB ALA A 44 0.477 2.197 -1.650 1.00 0.78 C ATOM 0 H ALA A 44 -0.440 4.653 -1.358 1.00 0.62 H new ATOM 0 HA ALA A 44 0.929 3.119 -3.497 1.00 0.65 H new ATOM 0 HB1 ALA A 44 0.487 1.197 -2.084 1.00 0.78 H new ATOM 0 HB2 ALA A 44 1.456 2.417 -1.224 1.00 0.78 H new ATOM 0 HB3 ALA A 44 -0.279 2.246 -0.867 1.00 0.78 H new ATOM 660 N HIS A 45 -1.278 2.740 -4.658 1.00 0.55 N ATOM 661 CA HIS A 45 -2.431 2.192 -5.309 1.00 0.62 C ATOM 662 C HIS A 45 -2.208 0.702 -5.122 1.00 0.60 C ATOM 663 O HIS A 45 -1.277 0.151 -5.711 1.00 0.76 O ATOM 664 CB HIS A 45 -2.378 2.651 -6.769 1.00 0.78 C ATOM 665 CG HIS A 45 -3.220 1.905 -7.766 1.00 1.03 C ATOM 666 ND1 HIS A 45 -3.125 2.114 -9.118 1.00 1.75 N ATOM 667 CD2 HIS A 45 -4.008 0.796 -7.570 1.00 1.34 C ATOM 668 CE1 HIS A 45 -3.831 1.153 -9.723 1.00 2.32 C ATOM 669 NE2 HIS A 45 -4.395 0.328 -8.829 1.00 2.05 N ATOM 0 H HIS A 45 -0.502 2.931 -5.292 1.00 0.55 H new ATOM 0 HA HIS A 45 -3.411 2.489 -4.935 1.00 0.62 H new ATOM 0 HB2 HIS A 45 -2.670 3.701 -6.802 1.00 0.78 H new ATOM 0 HB3 HIS A 45 -1.341 2.599 -7.100 1.00 0.78 H new ATOM 0 HD1 HIS A 45 -2.610 2.865 -9.578 1.00 1.75 H new ATOM 0 HD2 HIS A 45 -4.279 0.365 -6.617 1.00 1.34 H new ATOM 0 HE1 HIS A 45 -3.934 1.054 -10.794 1.00 2.32 H new ATOM 677 N ILE A 46 -3.028 0.077 -4.279 1.00 0.51 N ATOM 678 CA ILE A 46 -2.998 -1.359 -4.081 1.00 0.53 C ATOM 679 C ILE A 46 -4.154 -1.973 -4.856 1.00 0.57 C ATOM 680 O ILE A 46 -5.261 -1.426 -4.882 1.00 0.88 O ATOM 681 CB ILE A 46 -3.009 -1.707 -2.583 1.00 0.58 C ATOM 682 CG1 ILE A 46 -1.634 -1.324 -2.009 1.00 0.65 C ATOM 683 CG2 ILE A 46 -3.295 -3.202 -2.403 1.00 0.82 C ATOM 684 CD1 ILE A 46 -1.487 -1.623 -0.517 1.00 1.73 C ATOM 0 H ILE A 46 -3.730 0.558 -3.717 1.00 0.51 H new ATOM 0 HA ILE A 46 -2.071 -1.783 -4.467 1.00 0.53 H new ATOM 0 HB ILE A 46 -3.790 -1.160 -2.054 1.00 0.58 H new ATOM 0 HG12 ILE A 46 -0.859 -1.861 -2.556 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -1.464 -0.260 -2.176 1.00 0.65 H new ATOM 0 HG21 ILE A 46 -3.302 -3.446 -1.341 1.00 0.82 H new ATOM 0 HG22 ILE A 46 -4.266 -3.442 -2.837 1.00 0.82 H new ATOM 0 HG23 ILE A 46 -2.521 -3.783 -2.903 1.00 0.82 H new ATOM 0 HD11 ILE A 46 -0.493 -1.327 -0.183 1.00 1.73 H new ATOM 0 HD12 ILE A 46 -2.239 -1.065 0.042 1.00 1.73 H new ATOM 0 HD13 ILE A 46 -1.625 -2.690 -0.345 1.00 1.73 H new ATOM 696 N LYS A 47 -3.874 -3.110 -5.492 1.00 0.50 N ATOM 697 CA LYS A 47 -4.839 -3.938 -6.163 1.00 0.54 C ATOM 698 C LYS A 47 -4.815 -5.271 -5.434 1.00 0.49 C ATOM 699 O LYS A 47 -3.847 -6.020 -5.563 1.00 0.57 O ATOM 700 CB LYS A 47 -4.415 -4.096 -7.621 1.00 0.61 C ATOM 701 CG LYS A 47 -4.276 -2.730 -8.310 1.00 0.68 C ATOM 702 CD LYS A 47 -4.187 -2.916 -9.834 1.00 0.89 C ATOM 703 CE LYS A 47 -5.542 -2.932 -10.562 1.00 1.87 C ATOM 704 NZ LYS A 47 -6.560 -3.790 -9.919 1.00 3.05 N ATOM 0 H LYS A 47 -2.926 -3.483 -5.548 1.00 0.50 H new ATOM 0 HA LYS A 47 -5.844 -3.516 -6.154 1.00 0.54 H new ATOM 0 HB2 LYS A 47 -3.466 -4.630 -7.671 1.00 0.61 H new ATOM 0 HB3 LYS A 47 -5.149 -4.701 -8.153 1.00 0.61 H new ATOM 0 HG2 LYS A 47 -5.130 -2.100 -8.062 1.00 0.68 H new ATOM 0 HG3 LYS A 47 -3.385 -2.218 -7.945 1.00 0.68 H new ATOM 0 HD2 LYS A 47 -3.577 -2.114 -10.249 1.00 0.89 H new ATOM 0 HD3 LYS A 47 -3.668 -3.851 -10.042 1.00 0.89 H new ATOM 0 HE2 LYS A 47 -5.924 -1.913 -10.619 1.00 1.87 H new ATOM 0 HE3 LYS A 47 -5.389 -3.273 -11.586 1.00 1.87 H new ATOM 0 HZ1 LYS A 47 -7.454 -3.723 -10.446 1.00 3.05 H new ATOM 0 HZ2 LYS A 47 -6.232 -4.777 -9.918 1.00 3.05 H new ATOM 0 HZ3 LYS A 47 -6.711 -3.475 -8.940 1.00 3.05 H new ATOM 718 N TYR A 48 -5.837 -5.531 -4.621 1.00 0.72 N ATOM 719 CA TYR A 48 -5.929 -6.720 -3.794 1.00 0.66 C ATOM 720 C TYR A 48 -7.175 -7.523 -4.157 1.00 0.69 C ATOM 721 O TYR A 48 -8.088 -6.986 -4.788 1.00 0.93 O ATOM 722 CB TYR A 48 -5.886 -6.323 -2.316 1.00 0.74 C ATOM 723 CG TYR A 48 -7.149 -5.702 -1.742 1.00 0.93 C ATOM 724 CD1 TYR A 48 -8.195 -6.525 -1.282 1.00 2.39 C ATOM 725 CD2 TYR A 48 -7.209 -4.318 -1.504 1.00 1.59 C ATOM 726 CE1 TYR A 48 -9.287 -5.972 -0.594 1.00 2.63 C ATOM 727 CE2 TYR A 48 -8.280 -3.775 -0.774 1.00 1.63 C ATOM 728 CZ TYR A 48 -9.322 -4.597 -0.326 1.00 1.49 C ATOM 729 OH TYR A 48 -10.347 -4.063 0.395 1.00 1.82 O ATOM 0 H TYR A 48 -6.637 -4.906 -4.521 1.00 0.72 H new ATOM 0 HA TYR A 48 -5.075 -7.371 -3.980 1.00 0.66 H new ATOM 0 HB2 TYR A 48 -5.647 -7.211 -1.731 1.00 0.74 H new ATOM 0 HB3 TYR A 48 -5.066 -5.619 -2.176 1.00 0.74 H new ATOM 0 HD1 TYR A 48 -8.157 -7.590 -1.460 1.00 2.39 H new ATOM 0 HD2 TYR A 48 -6.431 -3.671 -1.883 1.00 1.59 H new ATOM 0 HE1 TYR A 48 -10.100 -6.606 -0.272 1.00 2.63 H new ATOM 0 HE2 TYR A 48 -8.300 -2.717 -0.557 1.00 1.63 H new ATOM 0 HH TYR A 48 -10.213 -3.097 0.488 1.00 1.82 H new ATOM 739 N ASP A 49 -7.207 -8.794 -3.751 1.00 0.60 N ATOM 740 CA ASP A 49 -8.358 -9.666 -3.928 1.00 0.67 C ATOM 741 C ASP A 49 -9.161 -9.763 -2.624 1.00 0.87 C ATOM 742 O ASP A 49 -8.651 -10.289 -1.630 1.00 0.98 O ATOM 743 CB ASP A 49 -7.913 -11.057 -4.374 1.00 0.76 C ATOM 744 CG ASP A 49 -9.126 -11.823 -4.865 1.00 2.27 C ATOM 745 OD1 ASP A 49 -10.172 -11.814 -4.174 1.00 3.79 O ATOM 746 OD2 ASP A 49 -9.047 -12.396 -5.974 1.00 3.05 O ATOM 0 H ASP A 49 -6.421 -9.247 -3.285 1.00 0.60 H new ATOM 0 HA ASP A 49 -8.995 -9.239 -4.702 1.00 0.67 H new ATOM 0 HB2 ASP A 49 -7.169 -10.979 -5.167 1.00 0.76 H new ATOM 0 HB3 ASP A 49 -7.442 -11.586 -3.546 1.00 0.76 H new ATOM 751 N PRO A 50 -10.407 -9.269 -2.595 1.00 1.08 N ATOM 752 CA PRO A 50 -11.204 -9.233 -1.387 1.00 1.44 C ATOM 753 C PRO A 50 -11.648 -10.618 -0.907 1.00 1.64 C ATOM 754 O PRO A 50 -12.229 -10.690 0.174 1.00 2.26 O ATOM 755 CB PRO A 50 -12.397 -8.330 -1.716 1.00 1.78 C ATOM 756 CG PRO A 50 -12.582 -8.538 -3.217 1.00 1.58 C ATOM 757 CD PRO A 50 -11.147 -8.710 -3.712 1.00 1.17 C ATOM 0 HA PRO A 50 -10.617 -8.848 -0.553 1.00 1.44 H new ATOM 0 HB2 PRO A 50 -13.287 -8.617 -1.156 1.00 1.78 H new ATOM 0 HB3 PRO A 50 -12.192 -7.287 -1.475 1.00 1.78 H new ATOM 0 HG2 PRO A 50 -13.192 -9.415 -3.432 1.00 1.58 H new ATOM 0 HG3 PRO A 50 -13.073 -7.685 -3.686 1.00 1.58 H new ATOM 0 HD2 PRO A 50 -11.109 -9.372 -4.577 1.00 1.17 H new ATOM 0 HD3 PRO A 50 -10.724 -7.755 -4.023 1.00 1.17 H new ATOM 765 N GLU A 51 -11.393 -11.717 -1.637 1.00 1.77 N ATOM 766 CA GLU A 51 -11.775 -13.024 -1.111 1.00 1.94 C ATOM 767 C GLU A 51 -10.990 -13.387 0.160 1.00 1.70 C ATOM 768 O GLU A 51 -11.459 -14.215 0.939 1.00 2.48 O ATOM 769 CB GLU A 51 -11.736 -14.122 -2.187 1.00 2.20 C ATOM 770 CG GLU A 51 -10.337 -14.651 -2.536 1.00 3.19 C ATOM 771 CD GLU A 51 -10.389 -15.746 -3.595 1.00 3.84 C ATOM 772 OE1 GLU A 51 -11.229 -15.610 -4.514 1.00 3.49 O ATOM 773 OE2 GLU A 51 -9.585 -16.694 -3.478 1.00 5.26 O ATOM 0 H GLU A 51 -10.944 -11.724 -2.553 1.00 1.77 H new ATOM 0 HA GLU A 51 -12.819 -12.952 -0.806 1.00 1.94 H new ATOM 0 HB2 GLU A 51 -12.349 -14.958 -1.851 1.00 2.20 H new ATOM 0 HB3 GLU A 51 -12.196 -13.734 -3.095 1.00 2.20 H new ATOM 0 HG2 GLU A 51 -9.717 -13.829 -2.894 1.00 3.19 H new ATOM 0 HG3 GLU A 51 -9.861 -15.040 -1.636 1.00 3.19 H new ATOM 780 N ILE A 52 -9.809 -12.783 0.371 1.00 0.86 N ATOM 781 CA ILE A 52 -8.965 -13.061 1.532 1.00 0.73 C ATOM 782 C ILE A 52 -8.505 -11.798 2.270 1.00 0.72 C ATOM 783 O ILE A 52 -8.752 -11.671 3.467 1.00 1.17 O ATOM 784 CB ILE A 52 -7.784 -13.986 1.160 1.00 0.98 C ATOM 785 CG1 ILE A 52 -7.136 -13.635 -0.195 1.00 1.13 C ATOM 786 CG2 ILE A 52 -8.255 -15.449 1.180 1.00 2.05 C ATOM 787 CD1 ILE A 52 -5.810 -14.367 -0.423 1.00 1.95 C ATOM 0 H ILE A 52 -9.417 -12.087 -0.264 1.00 0.86 H new ATOM 0 HA ILE A 52 -9.592 -13.596 2.245 1.00 0.73 H new ATOM 0 HB ILE A 52 -7.005 -13.835 1.908 1.00 0.98 H new ATOM 0 HG12 ILE A 52 -7.828 -13.885 -1.000 1.00 1.13 H new ATOM 0 HG13 ILE A 52 -6.966 -12.559 -0.244 1.00 1.13 H new ATOM 0 HG21 ILE A 52 -7.423 -16.103 0.918 1.00 2.05 H new ATOM 0 HG22 ILE A 52 -8.615 -15.702 2.177 1.00 2.05 H new ATOM 0 HG23 ILE A 52 -9.062 -15.581 0.459 1.00 2.05 H new ATOM 0 HD11 ILE A 52 -5.399 -14.082 -1.392 1.00 1.95 H new ATOM 0 HD12 ILE A 52 -5.105 -14.097 0.364 1.00 1.95 H new ATOM 0 HD13 ILE A 52 -5.981 -15.443 -0.404 1.00 1.95 H new ATOM 799 N ILE A 53 -7.779 -10.895 1.607 1.00 0.66 N ATOM 800 CA ILE A 53 -7.047 -9.834 2.296 1.00 0.65 C ATOM 801 C ILE A 53 -7.954 -8.615 2.496 1.00 0.58 C ATOM 802 O ILE A 53 -8.693 -8.243 1.585 1.00 0.61 O ATOM 803 CB ILE A 53 -5.748 -9.528 1.524 1.00 0.67 C ATOM 804 CG1 ILE A 53 -4.790 -8.599 2.283 1.00 0.85 C ATOM 805 CG2 ILE A 53 -6.003 -8.898 0.161 1.00 0.66 C ATOM 806 CD1 ILE A 53 -3.739 -9.404 3.046 1.00 1.09 C ATOM 0 H ILE A 53 -7.683 -10.879 0.592 1.00 0.66 H new ATOM 0 HA ILE A 53 -6.750 -10.152 3.295 1.00 0.65 H new ATOM 0 HB ILE A 53 -5.287 -10.508 1.404 1.00 0.67 H new ATOM 0 HG12 ILE A 53 -4.299 -7.925 1.581 1.00 0.85 H new ATOM 0 HG13 ILE A 53 -5.354 -7.978 2.979 1.00 0.85 H new ATOM 0 HG21 ILE A 53 -5.051 -8.706 -0.335 1.00 0.66 H new ATOM 0 HG22 ILE A 53 -6.599 -9.578 -0.448 1.00 0.66 H new ATOM 0 HG23 ILE A 53 -6.542 -7.959 0.289 1.00 0.66 H new ATOM 0 HD11 ILE A 53 -3.073 -8.723 3.575 1.00 1.09 H new ATOM 0 HD12 ILE A 53 -4.233 -10.059 3.764 1.00 1.09 H new ATOM 0 HD13 ILE A 53 -3.161 -10.005 2.344 1.00 1.09 H new ATOM 818 N GLY A 54 -7.909 -7.995 3.680 1.00 0.68 N ATOM 819 CA GLY A 54 -8.681 -6.805 4.005 1.00 0.74 C ATOM 820 C GLY A 54 -7.781 -5.576 4.164 1.00 0.69 C ATOM 821 O GLY A 54 -6.562 -5.699 4.309 1.00 0.75 O ATOM 0 H GLY A 54 -7.322 -8.317 4.449 1.00 0.68 H new ATOM 0 HA2 GLY A 54 -9.414 -6.621 3.220 1.00 0.74 H new ATOM 0 HA3 GLY A 54 -9.237 -6.972 4.928 1.00 0.74 H new ATOM 825 N PRO A 55 -8.376 -4.372 4.193 1.00 0.67 N ATOM 826 CA PRO A 55 -7.645 -3.127 4.382 1.00 0.65 C ATOM 827 C PRO A 55 -6.862 -3.149 5.695 1.00 0.61 C ATOM 828 O PRO A 55 -5.730 -2.682 5.749 1.00 0.60 O ATOM 829 CB PRO A 55 -8.697 -2.014 4.342 1.00 0.72 C ATOM 830 CG PRO A 55 -10.000 -2.721 4.713 1.00 0.76 C ATOM 831 CD PRO A 55 -9.807 -4.125 4.139 1.00 0.73 C ATOM 0 HA PRO A 55 -6.897 -2.969 3.605 1.00 0.65 H new ATOM 0 HB2 PRO A 55 -8.461 -1.217 5.047 1.00 0.72 H new ATOM 0 HB3 PRO A 55 -8.758 -1.558 3.354 1.00 0.72 H new ATOM 0 HG2 PRO A 55 -10.153 -2.744 5.792 1.00 0.76 H new ATOM 0 HG3 PRO A 55 -10.867 -2.223 4.278 1.00 0.76 H new ATOM 0 HD2 PRO A 55 -10.356 -4.866 4.721 1.00 0.73 H new ATOM 0 HD3 PRO A 55 -10.178 -4.185 3.116 1.00 0.73 H new ATOM 839 N ARG A 56 -7.445 -3.721 6.750 1.00 0.65 N ATOM 840 CA ARG A 56 -6.750 -3.923 8.014 1.00 0.68 C ATOM 841 C ARG A 56 -5.424 -4.680 7.828 1.00 0.69 C ATOM 842 O ARG A 56 -4.416 -4.282 8.409 1.00 0.73 O ATOM 843 CB ARG A 56 -7.662 -4.584 9.064 1.00 0.80 C ATOM 844 CG ARG A 56 -8.688 -5.576 8.489 1.00 2.30 C ATOM 845 CD ARG A 56 -9.205 -6.543 9.569 1.00 2.96 C ATOM 846 NE ARG A 56 -8.146 -7.458 10.032 1.00 4.33 N ATOM 847 CZ ARG A 56 -7.512 -8.336 9.238 1.00 5.89 C ATOM 848 NH1 ARG A 56 -8.051 -8.662 8.061 1.00 6.44 N ATOM 849 NH2 ARG A 56 -6.337 -8.847 9.610 1.00 7.45 N ATOM 0 H ARG A 56 -8.409 -4.055 6.749 1.00 0.65 H new ATOM 0 HA ARG A 56 -6.489 -2.938 8.400 1.00 0.68 H new ATOM 0 HB2 ARG A 56 -7.039 -5.106 9.790 1.00 0.80 H new ATOM 0 HB3 ARG A 56 -8.196 -3.803 9.606 1.00 0.80 H new ATOM 0 HG2 ARG A 56 -9.526 -5.026 8.060 1.00 2.30 H new ATOM 0 HG3 ARG A 56 -8.231 -6.144 7.679 1.00 2.30 H new ATOM 0 HD2 ARG A 56 -9.589 -5.973 10.415 1.00 2.96 H new ATOM 0 HD3 ARG A 56 -10.038 -7.122 9.171 1.00 2.96 H new ATOM 0 HE ARG A 56 -7.878 -7.422 11.016 1.00 4.33 H new ATOM 0 HH11 ARG A 56 -8.936 -8.245 7.772 1.00 6.44 H new ATOM 0 HH12 ARG A 56 -7.578 -9.328 7.450 1.00 6.44 H new ATOM 0 HH21 ARG A 56 -5.919 -8.571 10.499 1.00 7.45 H new ATOM 0 HH22 ARG A 56 -5.857 -9.514 9.006 1.00 7.45 H new ATOM 863 N ASP A 57 -5.396 -5.754 7.027 1.00 0.70 N ATOM 864 CA ASP A 57 -4.167 -6.516 6.818 1.00 0.69 C ATOM 865 C ASP A 57 -3.116 -5.609 6.189 1.00 0.65 C ATOM 866 O ASP A 57 -1.997 -5.508 6.686 1.00 0.65 O ATOM 867 CB ASP A 57 -4.393 -7.719 5.899 1.00 0.73 C ATOM 868 CG ASP A 57 -5.408 -8.707 6.426 1.00 1.43 C ATOM 869 OD1 ASP A 57 -5.091 -9.418 7.401 1.00 2.24 O ATOM 870 OD2 ASP A 57 -6.552 -8.694 5.922 1.00 2.43 O ATOM 0 H ASP A 57 -6.206 -6.109 6.519 1.00 0.70 H new ATOM 0 HA ASP A 57 -3.833 -6.885 7.788 1.00 0.69 H new ATOM 0 HB2 ASP A 57 -4.720 -7.362 4.923 1.00 0.73 H new ATOM 0 HB3 ASP A 57 -3.444 -8.233 5.749 1.00 0.73 H new ATOM 875 N ILE A 58 -3.492 -4.946 5.090 1.00 0.63 N ATOM 876 CA ILE A 58 -2.635 -3.989 4.399 1.00 0.60 C ATOM 877 C ILE A 58 -2.078 -2.988 5.408 1.00 0.58 C ATOM 878 O ILE A 58 -0.868 -2.785 5.499 1.00 0.60 O ATOM 879 CB ILE A 58 -3.428 -3.278 3.287 1.00 0.59 C ATOM 880 CG1 ILE A 58 -3.765 -4.274 2.166 1.00 0.54 C ATOM 881 CG2 ILE A 58 -2.660 -2.068 2.733 1.00 0.65 C ATOM 882 CD1 ILE A 58 -4.719 -3.665 1.137 1.00 1.54 C ATOM 0 H ILE A 58 -4.407 -5.063 4.655 1.00 0.63 H new ATOM 0 HA ILE A 58 -1.800 -4.511 3.932 1.00 0.60 H new ATOM 0 HB ILE A 58 -4.357 -2.902 3.716 1.00 0.59 H new ATOM 0 HG12 ILE A 58 -2.847 -4.588 1.670 1.00 0.54 H new ATOM 0 HG13 ILE A 58 -4.216 -5.168 2.597 1.00 0.54 H new ATOM 0 HG21 ILE A 58 -3.249 -1.590 1.950 1.00 0.65 H new ATOM 0 HG22 ILE A 58 -2.477 -1.354 3.536 1.00 0.65 H new ATOM 0 HG23 ILE A 58 -1.708 -2.400 2.319 1.00 0.65 H new ATOM 0 HD11 ILE A 58 -4.934 -4.399 0.361 1.00 1.54 H new ATOM 0 HD12 ILE A 58 -5.648 -3.375 1.629 1.00 1.54 H new ATOM 0 HD13 ILE A 58 -4.257 -2.786 0.687 1.00 1.54 H new ATOM 894 N ILE A 59 -2.967 -2.348 6.164 1.00 0.56 N ATOM 895 CA ILE A 59 -2.573 -1.330 7.116 1.00 0.56 C ATOM 896 C ILE A 59 -1.560 -1.902 8.104 1.00 0.60 C ATOM 897 O ILE A 59 -0.493 -1.320 8.269 1.00 0.62 O ATOM 898 CB ILE A 59 -3.814 -0.707 7.774 1.00 0.54 C ATOM 899 CG1 ILE A 59 -4.519 0.193 6.746 1.00 0.59 C ATOM 900 CG2 ILE A 59 -3.451 0.079 9.046 1.00 0.51 C ATOM 901 CD1 ILE A 59 -5.946 0.527 7.168 1.00 0.58 C ATOM 0 H ILE A 59 -3.971 -2.523 6.130 1.00 0.56 H new ATOM 0 HA ILE A 59 -2.066 -0.511 6.606 1.00 0.56 H new ATOM 0 HB ILE A 59 -4.489 -1.504 8.086 1.00 0.54 H new ATOM 0 HG12 ILE A 59 -3.952 1.115 6.621 1.00 0.59 H new ATOM 0 HG13 ILE A 59 -4.534 -0.305 5.777 1.00 0.59 H new ATOM 0 HG21 ILE A 59 -4.355 0.504 9.482 1.00 0.51 H new ATOM 0 HG22 ILE A 59 -2.982 -0.591 9.766 1.00 0.51 H new ATOM 0 HG23 ILE A 59 -2.759 0.882 8.792 1.00 0.51 H new ATOM 0 HD11 ILE A 59 -6.408 1.164 6.414 1.00 0.58 H new ATOM 0 HD12 ILE A 59 -6.521 -0.394 7.267 1.00 0.58 H new ATOM 0 HD13 ILE A 59 -5.930 1.049 8.125 1.00 0.58 H new ATOM 913 N HIS A 60 -1.862 -3.047 8.721 1.00 0.64 N ATOM 914 CA HIS A 60 -0.986 -3.627 9.734 1.00 0.71 C ATOM 915 C HIS A 60 0.325 -4.133 9.137 1.00 0.83 C ATOM 916 O HIS A 60 1.362 -4.134 9.797 1.00 1.03 O ATOM 917 CB HIS A 60 -1.721 -4.651 10.598 1.00 0.76 C ATOM 918 CG HIS A 60 -2.521 -3.956 11.673 1.00 1.18 C ATOM 919 ND1 HIS A 60 -1.993 -3.200 12.699 1.00 2.67 N ATOM 920 CD2 HIS A 60 -3.876 -3.763 11.683 1.00 1.27 C ATOM 921 CE1 HIS A 60 -3.016 -2.604 13.332 1.00 3.14 C ATOM 922 NE2 HIS A 60 -4.187 -2.919 12.752 1.00 2.23 N ATOM 0 H HIS A 60 -2.706 -3.588 8.535 1.00 0.64 H new ATOM 0 HA HIS A 60 -0.693 -2.831 10.419 1.00 0.71 H new ATOM 0 HB2 HIS A 60 -2.383 -5.253 9.975 1.00 0.76 H new ATOM 0 HB3 HIS A 60 -1.004 -5.333 11.054 1.00 0.76 H new ATOM 0 HD1 HIS A 60 -1.005 -3.110 12.934 1.00 2.67 H new ATOM 0 HD2 HIS A 60 -4.582 -4.189 10.986 1.00 1.27 H new ATOM 0 HE1 HIS A 60 -2.912 -1.958 14.192 1.00 3.14 H new ATOM 930 N THR A 61 0.298 -4.510 7.863 1.00 0.71 N ATOM 931 CA THR A 61 1.513 -4.804 7.128 1.00 0.74 C ATOM 932 C THR A 61 2.361 -3.531 6.998 1.00 0.72 C ATOM 933 O THR A 61 3.552 -3.547 7.303 1.00 0.80 O ATOM 934 CB THR A 61 1.138 -5.421 5.774 1.00 0.73 C ATOM 935 OG1 THR A 61 0.419 -6.617 5.989 1.00 0.85 O ATOM 936 CG2 THR A 61 2.364 -5.745 4.917 1.00 0.82 C ATOM 0 H THR A 61 -0.559 -4.618 7.320 1.00 0.71 H new ATOM 0 HA THR A 61 2.125 -5.532 7.660 1.00 0.74 H new ATOM 0 HB THR A 61 0.536 -4.684 5.241 1.00 0.73 H new ATOM 0 HG1 THR A 61 -0.495 -6.403 6.272 1.00 0.85 H new ATOM 0 HG21 THR A 61 2.042 -6.179 3.970 1.00 0.82 H new ATOM 0 HG22 THR A 61 2.925 -4.831 4.725 1.00 0.82 H new ATOM 0 HG23 THR A 61 2.999 -6.456 5.445 1.00 0.82 H new ATOM 944 N ILE A 62 1.772 -2.435 6.512 1.00 0.65 N ATOM 945 CA ILE A 62 2.516 -1.223 6.184 1.00 0.66 C ATOM 946 C ILE A 62 2.992 -0.482 7.435 1.00 0.62 C ATOM 947 O ILE A 62 4.136 -0.034 7.468 1.00 0.69 O ATOM 948 CB ILE A 62 1.711 -0.334 5.222 1.00 0.64 C ATOM 949 CG1 ILE A 62 1.555 -1.060 3.873 1.00 0.70 C ATOM 950 CG2 ILE A 62 2.414 1.017 5.008 1.00 0.66 C ATOM 951 CD1 ILE A 62 0.613 -0.315 2.928 1.00 1.17 C ATOM 0 H ILE A 62 0.770 -2.366 6.337 1.00 0.65 H new ATOM 0 HA ILE A 62 3.426 -1.515 5.659 1.00 0.66 H new ATOM 0 HB ILE A 62 0.730 -0.143 5.657 1.00 0.64 H new ATOM 0 HG12 ILE A 62 2.533 -1.165 3.402 1.00 0.70 H new ATOM 0 HG13 ILE A 62 1.175 -2.067 4.045 1.00 0.70 H new ATOM 0 HG21 ILE A 62 1.826 1.629 4.324 1.00 0.66 H new ATOM 0 HG22 ILE A 62 2.511 1.532 5.964 1.00 0.66 H new ATOM 0 HG23 ILE A 62 3.404 0.849 4.585 1.00 0.66 H new ATOM 0 HD11 ILE A 62 0.532 -0.862 1.989 1.00 1.17 H new ATOM 0 HD12 ILE A 62 -0.373 -0.233 3.386 1.00 1.17 H new ATOM 0 HD13 ILE A 62 1.007 0.683 2.734 1.00 1.17 H new ATOM 963 N GLU A 63 2.133 -0.311 8.444 1.00 0.49 N ATOM 964 CA GLU A 63 2.465 0.450 9.647 1.00 0.48 C ATOM 965 C GLU A 63 3.775 -0.035 10.270 1.00 0.51 C ATOM 966 O GLU A 63 4.655 0.767 10.575 1.00 0.65 O ATOM 967 CB GLU A 63 1.279 0.464 10.620 1.00 0.61 C ATOM 968 CG GLU A 63 0.767 -0.911 11.057 1.00 1.97 C ATOM 969 CD GLU A 63 1.231 -1.382 12.429 1.00 3.09 C ATOM 970 OE1 GLU A 63 2.321 -0.947 12.852 1.00 3.94 O ATOM 971 OE2 GLU A 63 0.473 -2.184 13.021 1.00 3.95 O ATOM 0 H GLU A 63 1.189 -0.697 8.448 1.00 0.49 H new ATOM 0 HA GLU A 63 2.645 1.489 9.373 1.00 0.48 H new ATOM 0 HB2 GLU A 63 1.568 1.024 11.509 1.00 0.61 H new ATOM 0 HB3 GLU A 63 0.457 1.007 10.155 1.00 0.61 H new ATOM 0 HG2 GLU A 63 -0.323 -0.892 11.049 1.00 1.97 H new ATOM 0 HG3 GLU A 63 1.079 -1.647 10.316 1.00 1.97 H new ATOM 978 N SER A 64 3.936 -1.357 10.331 1.00 0.55 N ATOM 979 CA SER A 64 5.154 -2.041 10.751 1.00 0.68 C ATOM 980 C SER A 64 6.409 -1.485 10.054 1.00 0.81 C ATOM 981 O SER A 64 7.471 -1.380 10.666 1.00 1.01 O ATOM 982 CB SER A 64 4.970 -3.543 10.490 1.00 0.70 C ATOM 983 OG SER A 64 6.021 -4.300 11.059 1.00 1.86 O ATOM 0 H SER A 64 3.190 -2.005 10.078 1.00 0.55 H new ATOM 0 HA SER A 64 5.317 -1.868 11.815 1.00 0.68 H new ATOM 0 HB2 SER A 64 4.017 -3.872 10.905 1.00 0.70 H new ATOM 0 HB3 SER A 64 4.929 -3.725 9.416 1.00 0.70 H new ATOM 0 HG SER A 64 5.874 -5.252 10.877 1.00 1.86 H new ATOM 989 N LEU A 65 6.304 -1.114 8.772 1.00 0.76 N ATOM 990 CA LEU A 65 7.414 -0.581 7.988 1.00 0.80 C ATOM 991 C LEU A 65 7.748 0.868 8.367 1.00 0.78 C ATOM 992 O LEU A 65 8.823 1.351 8.020 1.00 0.93 O ATOM 993 CB LEU A 65 7.100 -0.649 6.486 1.00 0.78 C ATOM 994 CG LEU A 65 6.560 -2.002 5.998 1.00 0.89 C ATOM 995 CD1 LEU A 65 6.224 -1.899 4.507 1.00 1.05 C ATOM 996 CD2 LEU A 65 7.560 -3.139 6.235 1.00 1.02 C ATOM 0 H LEU A 65 5.432 -1.178 8.247 1.00 0.76 H new ATOM 0 HA LEU A 65 8.281 -1.202 8.213 1.00 0.80 H new ATOM 0 HB2 LEU A 65 6.370 0.124 6.247 1.00 0.78 H new ATOM 0 HB3 LEU A 65 8.007 -0.414 5.929 1.00 0.78 H new ATOM 0 HG LEU A 65 5.663 -2.238 6.571 1.00 0.89 H new ATOM 0 HD11 LEU A 65 5.840 -2.856 4.154 1.00 1.05 H new ATOM 0 HD12 LEU A 65 5.469 -1.127 4.357 1.00 1.05 H new ATOM 0 HD13 LEU A 65 7.124 -1.640 3.948 1.00 1.05 H new ATOM 0 HD21 LEU A 65 7.137 -4.077 5.875 1.00 1.02 H new ATOM 0 HD22 LEU A 65 8.485 -2.928 5.698 1.00 1.02 H new ATOM 0 HD23 LEU A 65 7.771 -3.222 7.301 1.00 1.02 H new ATOM 1008 N GLY A 66 6.835 1.566 9.047 1.00 0.72 N ATOM 1009 CA GLY A 66 7.021 2.939 9.492 1.00 0.76 C ATOM 1010 C GLY A 66 6.487 3.948 8.476 1.00 0.66 C ATOM 1011 O GLY A 66 7.140 4.955 8.210 1.00 0.81 O ATOM 0 H GLY A 66 5.928 1.179 9.307 1.00 0.72 H new ATOM 0 HA2 GLY A 66 6.514 3.083 10.446 1.00 0.76 H new ATOM 0 HA3 GLY A 66 8.081 3.124 9.663 1.00 0.76 H new ATOM 1015 N PHE A 67 5.280 3.709 7.951 1.00 0.52 N ATOM 1016 CA PHE A 67 4.541 4.663 7.131 1.00 0.53 C ATOM 1017 C PHE A 67 3.087 4.647 7.596 1.00 0.52 C ATOM 1018 O PHE A 67 2.645 3.639 8.141 1.00 0.53 O ATOM 1019 CB PHE A 67 4.622 4.273 5.649 1.00 0.57 C ATOM 1020 CG PHE A 67 6.023 4.037 5.116 1.00 0.51 C ATOM 1021 CD1 PHE A 67 6.932 5.107 5.041 1.00 1.76 C ATOM 1022 CD2 PHE A 67 6.437 2.742 4.749 1.00 1.96 C ATOM 1023 CE1 PHE A 67 8.244 4.888 4.588 1.00 1.87 C ATOM 1024 CE2 PHE A 67 7.747 2.527 4.285 1.00 1.86 C ATOM 1025 CZ PHE A 67 8.647 3.602 4.192 1.00 0.53 C ATOM 0 H PHE A 67 4.784 2.829 8.090 1.00 0.52 H new ATOM 0 HA PHE A 67 4.968 5.660 7.239 1.00 0.53 H new ATOM 0 HB2 PHE A 67 4.036 3.367 5.496 1.00 0.57 H new ATOM 0 HB3 PHE A 67 4.154 5.059 5.057 1.00 0.57 H new ATOM 0 HD1 PHE A 67 6.621 6.099 5.332 1.00 1.76 H new ATOM 0 HD2 PHE A 67 5.748 1.914 4.824 1.00 1.96 H new ATOM 0 HE1 PHE A 67 8.944 5.710 4.544 1.00 1.87 H new ATOM 0 HE2 PHE A 67 8.062 1.534 4.000 1.00 1.86 H new ATOM 0 HZ PHE A 67 9.647 3.440 3.817 1.00 0.53 H new ATOM 1035 N GLU A 68 2.343 5.731 7.371 1.00 0.59 N ATOM 1036 CA GLU A 68 0.947 5.868 7.742 1.00 0.61 C ATOM 1037 C GLU A 68 0.065 5.653 6.501 1.00 0.59 C ATOM 1038 O GLU A 68 -0.124 6.600 5.737 1.00 0.66 O ATOM 1039 CB GLU A 68 0.736 7.288 8.271 1.00 0.74 C ATOM 1040 CG GLU A 68 1.640 7.691 9.440 1.00 1.07 C ATOM 1041 CD GLU A 68 1.380 9.143 9.825 1.00 1.66 C ATOM 1042 OE1 GLU A 68 1.477 9.995 8.913 1.00 2.83 O ATOM 1043 OE2 GLU A 68 1.065 9.372 11.011 1.00 2.15 O ATOM 0 H GLU A 68 2.715 6.561 6.910 1.00 0.59 H new ATOM 0 HA GLU A 68 0.681 5.133 8.502 1.00 0.61 H new ATOM 0 HB2 GLU A 68 0.893 7.990 7.452 1.00 0.74 H new ATOM 0 HB3 GLU A 68 -0.303 7.391 8.584 1.00 0.74 H new ATOM 0 HG2 GLU A 68 1.454 7.041 10.295 1.00 1.07 H new ATOM 0 HG3 GLU A 68 2.686 7.562 9.163 1.00 1.07 H new ATOM 1050 N PRO A 69 -0.479 4.447 6.260 1.00 0.57 N ATOM 1051 CA PRO A 69 -1.348 4.172 5.120 1.00 0.60 C ATOM 1052 C PRO A 69 -2.733 4.788 5.341 1.00 0.69 C ATOM 1053 O PRO A 69 -3.697 4.094 5.665 1.00 1.19 O ATOM 1054 CB PRO A 69 -1.394 2.645 5.016 1.00 0.58 C ATOM 1055 CG PRO A 69 -1.226 2.205 6.465 1.00 0.56 C ATOM 1056 CD PRO A 69 -0.252 3.233 7.027 1.00 0.61 C ATOM 0 HA PRO A 69 -0.981 4.612 4.193 1.00 0.60 H new ATOM 0 HB2 PRO A 69 -2.336 2.296 4.594 1.00 0.58 H new ATOM 0 HB3 PRO A 69 -0.597 2.258 4.380 1.00 0.58 H new ATOM 0 HG2 PRO A 69 -2.175 2.213 7.001 1.00 0.56 H new ATOM 0 HG3 PRO A 69 -0.829 1.192 6.535 1.00 0.56 H new ATOM 0 HD2 PRO A 69 -0.430 3.401 8.089 1.00 0.61 H new ATOM 0 HD3 PRO A 69 0.779 2.893 6.926 1.00 0.61 H new ATOM 1064 N SER A 70 -2.848 6.101 5.146 1.00 0.52 N ATOM 1065 CA SER A 70 -4.100 6.808 5.372 1.00 0.59 C ATOM 1066 C SER A 70 -5.031 6.580 4.174 1.00 0.52 C ATOM 1067 O SER A 70 -4.801 7.125 3.096 1.00 0.51 O ATOM 1068 CB SER A 70 -3.840 8.292 5.717 1.00 0.75 C ATOM 1069 OG SER A 70 -3.058 9.004 4.770 1.00 2.23 O ATOM 0 H SER A 70 -2.082 6.696 4.830 1.00 0.52 H new ATOM 0 HA SER A 70 -4.616 6.409 6.245 1.00 0.59 H new ATOM 0 HB2 SER A 70 -4.800 8.797 5.825 1.00 0.75 H new ATOM 0 HB3 SER A 70 -3.343 8.342 6.686 1.00 0.75 H new ATOM 0 HG SER A 70 -2.515 8.373 4.254 1.00 2.23 H new ATOM 1075 N LEU A 71 -6.082 5.761 4.338 1.00 0.62 N ATOM 1076 CA LEU A 71 -7.058 5.482 3.279 1.00 0.66 C ATOM 1077 C LEU A 71 -8.007 6.669 3.073 1.00 0.85 C ATOM 1078 O LEU A 71 -9.233 6.510 3.045 1.00 1.39 O ATOM 1079 CB LEU A 71 -7.856 4.208 3.622 1.00 0.94 C ATOM 1080 CG LEU A 71 -7.083 2.899 3.410 1.00 2.39 C ATOM 1081 CD1 LEU A 71 -7.863 1.750 4.061 1.00 2.68 C ATOM 1082 CD2 LEU A 71 -6.955 2.580 1.915 1.00 4.01 C ATOM 0 H LEU A 71 -6.277 5.273 5.212 1.00 0.62 H new ATOM 0 HA LEU A 71 -6.516 5.323 2.347 1.00 0.66 H new ATOM 0 HB2 LEU A 71 -8.175 4.263 4.663 1.00 0.94 H new ATOM 0 HB3 LEU A 71 -8.760 4.185 3.013 1.00 0.94 H new ATOM 0 HG LEU A 71 -6.092 3.010 3.850 1.00 2.39 H new ATOM 0 HD11 LEU A 71 -7.322 0.815 3.916 1.00 2.68 H new ATOM 0 HD12 LEU A 71 -7.973 1.944 5.128 1.00 2.68 H new ATOM 0 HD13 LEU A 71 -8.849 1.674 3.602 1.00 2.68 H new ATOM 0 HD21 LEU A 71 -6.404 1.648 1.788 1.00 4.01 H new ATOM 0 HD22 LEU A 71 -7.948 2.476 1.479 1.00 4.01 H new ATOM 0 HD23 LEU A 71 -6.422 3.388 1.415 1.00 4.01 H new ATOM 1094 N VAL A 72 -7.441 7.841 2.793 1.00 1.19 N ATOM 1095 CA VAL A 72 -8.162 9.044 2.426 1.00 1.42 C ATOM 1096 C VAL A 72 -8.052 9.201 0.909 1.00 1.39 C ATOM 1097 O VAL A 72 -7.614 10.204 0.359 1.00 2.53 O ATOM 1098 CB VAL A 72 -7.690 10.215 3.299 1.00 2.63 C ATOM 1099 CG1 VAL A 72 -6.194 10.513 3.162 1.00 3.33 C ATOM 1100 CG2 VAL A 72 -8.554 11.464 3.086 1.00 3.38 C ATOM 0 H VAL A 72 -6.430 7.977 2.818 1.00 1.19 H new ATOM 0 HA VAL A 72 -9.231 9.000 2.634 1.00 1.42 H new ATOM 0 HB VAL A 72 -7.827 9.896 4.332 1.00 2.63 H new ATOM 0 HG11 VAL A 72 -5.930 11.351 3.806 1.00 3.33 H new ATOM 0 HG12 VAL A 72 -5.620 9.634 3.456 1.00 3.33 H new ATOM 0 HG13 VAL A 72 -5.967 10.765 2.126 1.00 3.33 H new ATOM 0 HG21 VAL A 72 -8.189 12.271 3.721 1.00 3.38 H new ATOM 0 HG22 VAL A 72 -8.499 11.771 2.041 1.00 3.38 H new ATOM 0 HG23 VAL A 72 -9.589 11.239 3.344 1.00 3.38 H new