USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 534 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 45 HIS : no HE2:sc= 1.8 K(o=1.4,f=-20!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 157:sc= -0.376 (180deg=-0.981) USER MOD Set 2.1: A 34 TYR OH : rot 130:sc= 0.705 USER MOD Set 2.2: A 36 SER OG : rot 88:sc= 1.64 USER MOD Set 3.1: A 25 SER OG : rot 93:sc= 0.974 USER MOD Set 3.2: A 28 LYS NZ :NH3+ 170:sc= 2.24 (180deg=0.66) USER MOD Set 3.3: A 29 HIS : no HE2:sc= -0.619 K(o=2.6,f=0.95!) USER MOD Set 4.1: A 27 THR OG1 : rot -172:sc= 1.4 USER MOD Set 4.2: A 35 CYS SG : rot 138:sc= 0.0283 USER MOD Set 5.1: A 15 CYS SG : rot 180:sc= -0.47 USER MOD Set 5.2: A 17 SER OG : rot 180:sc=0.000415 USER MOD Set 5.3: A 18 CYS SG : rot -150:sc= -0.486 USER MOD Single : A 13 MET CE :methyl -164:sc= -1.25 (180deg=-1.39) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 1.33 K(o=1.3,f=-8.8!) USER MOD Single : A 43 LYS NZ :NH3+ 139:sc= 0.611 (180deg=-2.9!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -1.02 K(o=-1,f=-4!) USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.55 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -3.770 -12.412 -1.856 1.00 0.93 N ATOM 40 CA GLY A 4 -2.569 -11.809 -1.313 1.00 1.32 C ATOM 41 C GLY A 4 -3.008 -10.615 -0.484 1.00 1.12 C ATOM 42 O GLY A 4 -3.908 -9.878 -0.887 1.00 1.32 O ATOM 0 HA2 GLY A 4 -2.022 -12.524 -0.699 1.00 1.32 H new ATOM 0 HA3 GLY A 4 -1.898 -11.497 -2.113 1.00 1.32 H new ATOM 46 N VAL A 5 -2.415 -10.449 0.699 1.00 1.24 N ATOM 47 CA VAL A 5 -2.734 -9.370 1.616 1.00 1.07 C ATOM 48 C VAL A 5 -1.415 -8.837 2.151 1.00 1.03 C ATOM 49 O VAL A 5 -0.549 -9.626 2.526 1.00 1.34 O ATOM 50 CB VAL A 5 -3.639 -9.870 2.756 1.00 1.12 C ATOM 51 CG1 VAL A 5 -4.001 -8.715 3.701 1.00 2.38 C ATOM 52 CG2 VAL A 5 -4.915 -10.522 2.207 1.00 2.47 C ATOM 0 H VAL A 5 -1.688 -11.075 1.047 1.00 1.24 H new ATOM 0 HA VAL A 5 -3.285 -8.579 1.108 1.00 1.07 H new ATOM 0 HB VAL A 5 -3.085 -10.624 3.315 1.00 1.12 H new ATOM 0 HG11 VAL A 5 -4.641 -9.087 4.501 1.00 2.38 H new ATOM 0 HG12 VAL A 5 -3.090 -8.297 4.130 1.00 2.38 H new ATOM 0 HG13 VAL A 5 -4.529 -7.941 3.144 1.00 2.38 H new ATOM 0 HG21 VAL A 5 -5.534 -10.865 3.036 1.00 2.47 H new ATOM 0 HG22 VAL A 5 -5.471 -9.794 1.617 1.00 2.47 H new ATOM 0 HG23 VAL A 5 -4.648 -11.371 1.578 1.00 2.47 H new ATOM 62 N LEU A 6 -1.266 -7.515 2.182 1.00 0.96 N ATOM 63 CA LEU A 6 -0.151 -6.852 2.830 1.00 1.10 C ATOM 64 C LEU A 6 -0.719 -5.689 3.632 1.00 0.95 C ATOM 65 O LEU A 6 -1.269 -4.756 3.050 1.00 1.01 O ATOM 66 CB LEU A 6 0.856 -6.342 1.788 1.00 1.41 C ATOM 67 CG LEU A 6 1.726 -7.445 1.162 1.00 1.24 C ATOM 68 CD1 LEU A 6 2.399 -6.908 -0.107 1.00 2.53 C ATOM 69 CD2 LEU A 6 2.808 -7.935 2.135 1.00 2.47 C ATOM 0 H LEU A 6 -1.928 -6.871 1.750 1.00 0.96 H new ATOM 0 HA LEU A 6 0.379 -7.547 3.481 1.00 1.10 H new ATOM 0 HB2 LEU A 6 0.313 -5.829 0.995 1.00 1.41 H new ATOM 0 HB3 LEU A 6 1.506 -5.604 2.258 1.00 1.41 H new ATOM 0 HG LEU A 6 1.076 -8.287 0.922 1.00 1.24 H new ATOM 0 HD11 LEU A 6 3.016 -7.690 -0.551 1.00 2.53 H new ATOM 0 HD12 LEU A 6 1.635 -6.599 -0.821 1.00 2.53 H new ATOM 0 HD13 LEU A 6 3.025 -6.053 0.147 1.00 2.53 H new ATOM 0 HD21 LEU A 6 3.402 -8.714 1.657 1.00 2.47 H new ATOM 0 HD22 LEU A 6 3.455 -7.102 2.409 1.00 2.47 H new ATOM 0 HD23 LEU A 6 2.336 -8.338 3.031 1.00 2.47 H new ATOM 81 N GLU A 7 -0.554 -5.734 4.956 1.00 1.01 N ATOM 82 CA GLU A 7 -0.555 -4.529 5.763 1.00 0.98 C ATOM 83 C GLU A 7 0.829 -3.917 5.601 1.00 1.04 C ATOM 84 O GLU A 7 1.744 -4.234 6.363 1.00 1.51 O ATOM 85 CB GLU A 7 -0.841 -4.852 7.235 1.00 1.27 C ATOM 86 CG GLU A 7 -2.331 -5.112 7.489 1.00 1.30 C ATOM 87 CD GLU A 7 -3.153 -3.838 7.601 1.00 2.41 C ATOM 88 OE1 GLU A 7 -2.709 -2.787 7.097 1.00 3.52 O ATOM 89 OE2 GLU A 7 -4.250 -3.866 8.208 1.00 3.42 O ATOM 0 H GLU A 7 -0.419 -6.596 5.485 1.00 1.01 H new ATOM 0 HA GLU A 7 -1.336 -3.839 5.443 1.00 0.98 H new ATOM 0 HB2 GLU A 7 -0.265 -5.728 7.532 1.00 1.27 H new ATOM 0 HB3 GLU A 7 -0.506 -4.024 7.859 1.00 1.27 H new ATOM 0 HG2 GLU A 7 -2.729 -5.723 6.679 1.00 1.30 H new ATOM 0 HG3 GLU A 7 -2.441 -5.689 8.407 1.00 1.30 H new ATOM 96 N LEU A 8 0.992 -3.060 4.595 1.00 1.07 N ATOM 97 CA LEU A 8 2.230 -2.315 4.468 1.00 1.39 C ATOM 98 C LEU A 8 2.157 -1.175 5.465 1.00 1.12 C ATOM 99 O LEU A 8 1.133 -0.506 5.551 1.00 1.05 O ATOM 100 CB LEU A 8 2.407 -1.746 3.055 1.00 1.96 C ATOM 101 CG LEU A 8 2.574 -2.817 1.972 1.00 1.35 C ATOM 102 CD1 LEU A 8 2.820 -2.124 0.631 1.00 2.33 C ATOM 103 CD2 LEU A 8 3.751 -3.754 2.270 1.00 2.19 C ATOM 0 H LEU A 8 0.296 -2.871 3.874 1.00 1.07 H new ATOM 0 HA LEU A 8 3.078 -2.972 4.658 1.00 1.39 H new ATOM 0 HB2 LEU A 8 1.542 -1.128 2.811 1.00 1.96 H new ATOM 0 HB3 LEU A 8 3.279 -1.092 3.044 1.00 1.96 H new ATOM 0 HG LEU A 8 1.665 -3.418 1.945 1.00 1.35 H new ATOM 0 HD11 LEU A 8 2.941 -2.875 -0.150 1.00 2.33 H new ATOM 0 HD12 LEU A 8 1.971 -1.484 0.391 1.00 2.33 H new ATOM 0 HD13 LEU A 8 3.724 -1.518 0.695 1.00 2.33 H new ATOM 0 HD21 LEU A 8 3.834 -4.498 1.478 1.00 2.19 H new ATOM 0 HD22 LEU A 8 4.673 -3.175 2.322 1.00 2.19 H new ATOM 0 HD23 LEU A 8 3.584 -4.256 3.223 1.00 2.19 H new ATOM 115 N VAL A 9 3.233 -0.944 6.207 1.00 1.04 N ATOM 116 CA VAL A 9 3.437 0.291 6.916 1.00 0.86 C ATOM 117 C VAL A 9 4.019 1.252 5.877 1.00 0.79 C ATOM 118 O VAL A 9 5.043 0.961 5.261 1.00 0.86 O ATOM 119 CB VAL A 9 4.294 -0.002 8.154 1.00 0.88 C ATOM 120 CG1 VAL A 9 5.153 1.183 8.563 1.00 0.76 C ATOM 121 CG2 VAL A 9 3.364 -0.367 9.320 1.00 1.10 C ATOM 0 H VAL A 9 3.988 -1.620 6.328 1.00 1.04 H new ATOM 0 HA VAL A 9 2.544 0.763 7.325 1.00 0.86 H new ATOM 0 HB VAL A 9 4.966 -0.824 7.906 1.00 0.88 H new ATOM 0 HG11 VAL A 9 5.739 0.921 9.444 1.00 0.76 H new ATOM 0 HG12 VAL A 9 5.825 1.445 7.745 1.00 0.76 H new ATOM 0 HG13 VAL A 9 4.513 2.034 8.793 1.00 0.76 H new ATOM 0 HG21 VAL A 9 3.960 -0.578 10.208 1.00 1.10 H new ATOM 0 HG22 VAL A 9 2.692 0.466 9.524 1.00 1.10 H new ATOM 0 HG23 VAL A 9 2.780 -1.249 9.057 1.00 1.10 H new ATOM 131 N VAL A 10 3.305 2.349 5.624 1.00 0.80 N ATOM 132 CA VAL A 10 3.611 3.353 4.628 1.00 0.83 C ATOM 133 C VAL A 10 3.661 4.677 5.379 1.00 0.98 C ATOM 134 O VAL A 10 2.652 5.150 5.901 1.00 1.35 O ATOM 135 CB VAL A 10 2.588 3.327 3.480 1.00 0.94 C ATOM 136 CG1 VAL A 10 1.152 3.039 3.923 1.00 2.06 C ATOM 137 CG2 VAL A 10 2.642 4.636 2.691 1.00 2.41 C ATOM 0 H VAL A 10 2.453 2.564 6.142 1.00 0.80 H new ATOM 0 HA VAL A 10 4.567 3.173 4.135 1.00 0.83 H new ATOM 0 HB VAL A 10 2.879 2.491 2.845 1.00 0.94 H new ATOM 0 HG11 VAL A 10 0.496 3.039 3.053 1.00 2.06 H new ATOM 0 HG12 VAL A 10 1.110 2.065 4.410 1.00 2.06 H new ATOM 0 HG13 VAL A 10 0.826 3.808 4.623 1.00 2.06 H new ATOM 0 HG21 VAL A 10 1.913 4.603 1.882 1.00 2.41 H new ATOM 0 HG22 VAL A 10 2.411 5.470 3.354 1.00 2.41 H new ATOM 0 HG23 VAL A 10 3.640 4.769 2.274 1.00 2.41 H new ATOM 147 N ARG A 11 4.864 5.228 5.494 1.00 0.87 N ATOM 148 CA ARG A 11 5.187 6.297 6.409 1.00 0.89 C ATOM 149 C ARG A 11 5.624 7.529 5.628 1.00 0.77 C ATOM 150 O ARG A 11 5.962 7.440 4.449 1.00 1.07 O ATOM 151 CB ARG A 11 6.279 5.812 7.359 1.00 1.05 C ATOM 152 CG ARG A 11 5.977 4.408 7.908 1.00 1.81 C ATOM 153 CD ARG A 11 6.685 4.148 9.237 1.00 2.36 C ATOM 154 NE ARG A 11 6.146 5.034 10.272 1.00 3.49 N ATOM 155 CZ ARG A 11 6.712 6.152 10.745 1.00 4.39 C ATOM 156 NH1 ARG A 11 7.923 6.558 10.338 1.00 4.29 N ATOM 157 NH2 ARG A 11 5.998 6.873 11.615 1.00 5.97 N ATOM 0 H ARG A 11 5.661 4.928 4.932 1.00 0.87 H new ATOM 0 HA ARG A 11 4.313 6.577 6.997 1.00 0.89 H new ATOM 0 HB2 ARG A 11 7.236 5.800 6.837 1.00 1.05 H new ATOM 0 HB3 ARG A 11 6.377 6.513 8.188 1.00 1.05 H new ATOM 0 HG2 ARG A 11 4.901 4.295 8.042 1.00 1.81 H new ATOM 0 HG3 ARG A 11 6.288 3.659 7.179 1.00 1.81 H new ATOM 0 HD2 ARG A 11 6.552 3.107 9.532 1.00 2.36 H new ATOM 0 HD3 ARG A 11 7.757 4.314 9.126 1.00 2.36 H new ATOM 0 HE ARG A 11 5.246 4.772 10.674 1.00 3.49 H new ATOM 0 HH11 ARG A 11 8.440 6.011 9.650 1.00 4.29 H new ATOM 0 HH12 ARG A 11 8.328 7.414 10.717 1.00 4.29 H new ATOM 0 HH21 ARG A 11 5.066 6.563 11.890 1.00 5.97 H new ATOM 0 HH22 ARG A 11 6.385 7.733 12.004 1.00 5.97 H new ATOM 171 N GLY A 12 5.556 8.691 6.278 1.00 0.86 N ATOM 172 CA GLY A 12 5.591 9.972 5.590 1.00 1.01 C ATOM 173 C GLY A 12 4.191 10.377 5.119 1.00 0.87 C ATOM 174 O GLY A 12 4.033 11.444 4.534 1.00 1.16 O ATOM 0 H GLY A 12 5.476 8.766 7.292 1.00 0.86 H new ATOM 0 HA2 GLY A 12 5.990 10.737 6.256 1.00 1.01 H new ATOM 0 HA3 GLY A 12 6.264 9.912 4.735 1.00 1.01 H new ATOM 178 N MET A 13 3.169 9.553 5.396 1.00 0.96 N ATOM 179 CA MET A 13 1.776 9.820 5.119 1.00 0.99 C ATOM 180 C MET A 13 1.269 10.937 6.037 1.00 0.93 C ATOM 181 O MET A 13 0.480 10.699 6.948 1.00 1.27 O ATOM 182 CB MET A 13 1.009 8.506 5.327 1.00 1.31 C ATOM 183 CG MET A 13 -0.362 8.624 4.673 1.00 1.83 C ATOM 184 SD MET A 13 -1.589 7.346 5.053 1.00 2.28 S ATOM 185 CE MET A 13 -0.596 5.855 4.922 1.00 1.57 C ATOM 0 H MET A 13 3.313 8.645 5.839 1.00 0.96 H new ATOM 0 HA MET A 13 1.628 10.164 4.095 1.00 0.99 H new ATOM 0 HB2 MET A 13 1.563 7.674 4.893 1.00 1.31 H new ATOM 0 HB3 MET A 13 0.902 8.297 6.391 1.00 1.31 H new ATOM 0 HG2 MET A 13 -0.785 9.589 4.953 1.00 1.83 H new ATOM 0 HG3 MET A 13 -0.218 8.640 3.593 1.00 1.83 H new ATOM 0 HE1 MET A 13 -1.251 4.987 4.846 1.00 1.57 H new ATOM 0 HE2 MET A 13 0.033 5.914 4.034 1.00 1.57 H new ATOM 0 HE3 MET A 13 0.033 5.758 5.807 1.00 1.57 H new ATOM 195 N THR A 14 1.765 12.153 5.827 1.00 0.78 N ATOM 196 CA THR A 14 1.598 13.233 6.785 1.00 0.84 C ATOM 197 C THR A 14 0.135 13.687 6.909 1.00 0.85 C ATOM 198 O THR A 14 -0.276 14.112 7.988 1.00 1.15 O ATOM 199 CB THR A 14 2.599 14.365 6.488 1.00 0.95 C ATOM 200 OG1 THR A 14 2.657 15.272 7.568 1.00 1.58 O ATOM 201 CG2 THR A 14 2.300 15.138 5.201 1.00 1.22 C ATOM 0 H THR A 14 2.290 12.413 4.992 1.00 0.78 H new ATOM 0 HA THR A 14 1.840 12.862 7.781 1.00 0.84 H new ATOM 0 HB THR A 14 3.561 13.872 6.348 1.00 0.95 H new ATOM 0 HG1 THR A 14 3.299 15.984 7.363 1.00 1.58 H new ATOM 0 HG21 THR A 14 3.049 15.918 5.062 1.00 1.22 H new ATOM 0 HG22 THR A 14 2.326 14.455 4.352 1.00 1.22 H new ATOM 0 HG23 THR A 14 1.312 15.593 5.271 1.00 1.22 H new ATOM 209 N CYS A 15 -0.663 13.608 5.835 1.00 0.65 N ATOM 210 CA CYS A 15 -1.993 14.209 5.823 1.00 0.64 C ATOM 211 C CYS A 15 -2.926 13.522 4.826 1.00 0.60 C ATOM 212 O CYS A 15 -2.516 12.648 4.060 1.00 0.56 O ATOM 213 CB CYS A 15 -1.851 15.704 5.512 1.00 0.63 C ATOM 214 SG CYS A 15 -1.331 16.055 3.817 1.00 0.63 S ATOM 0 H CYS A 15 -0.407 13.134 4.969 1.00 0.65 H new ATOM 0 HA CYS A 15 -2.449 14.077 6.804 1.00 0.64 H new ATOM 0 HB2 CYS A 15 -2.806 16.196 5.698 1.00 0.63 H new ATOM 0 HB3 CYS A 15 -1.128 16.141 6.201 1.00 0.63 H new ATOM 0 HG CYS A 15 -1.241 17.341 3.648 1.00 0.63 H new ATOM 219 N ALA A 16 -4.193 13.950 4.835 1.00 0.69 N ATOM 220 CA ALA A 16 -5.247 13.467 3.953 1.00 0.76 C ATOM 221 C ALA A 16 -4.786 13.409 2.497 1.00 0.66 C ATOM 222 O ALA A 16 -5.084 12.446 1.791 1.00 0.68 O ATOM 223 CB ALA A 16 -6.479 14.366 4.081 1.00 0.92 C ATOM 0 H ALA A 16 -4.519 14.668 5.482 1.00 0.69 H new ATOM 0 HA ALA A 16 -5.501 12.451 4.257 1.00 0.76 H new ATOM 0 HB1 ALA A 16 -7.265 14.002 3.420 1.00 0.92 H new ATOM 0 HB2 ALA A 16 -6.835 14.351 5.111 1.00 0.92 H new ATOM 0 HB3 ALA A 16 -6.215 15.386 3.803 1.00 0.92 H new ATOM 229 N SER A 17 -4.058 14.438 2.054 1.00 0.61 N ATOM 230 CA SER A 17 -3.489 14.486 0.720 1.00 0.60 C ATOM 231 C SER A 17 -2.643 13.243 0.443 1.00 0.53 C ATOM 232 O SER A 17 -2.761 12.654 -0.626 1.00 0.70 O ATOM 233 CB SER A 17 -2.688 15.775 0.542 1.00 0.73 C ATOM 234 OG SER A 17 -3.477 16.870 0.971 1.00 1.40 O ATOM 0 H SER A 17 -3.850 15.261 2.620 1.00 0.61 H new ATOM 0 HA SER A 17 -4.296 14.489 -0.012 1.00 0.60 H new ATOM 0 HB2 SER A 17 -1.764 15.727 1.119 1.00 0.73 H new ATOM 0 HB3 SER A 17 -2.405 15.901 -0.503 1.00 0.73 H new ATOM 0 HG SER A 17 -2.970 17.701 0.862 1.00 1.40 H new ATOM 240 N CYS A 18 -1.816 12.814 1.400 1.00 0.44 N ATOM 241 CA CYS A 18 -1.068 11.579 1.246 1.00 0.44 C ATOM 242 C CYS A 18 -2.024 10.391 1.221 1.00 0.42 C ATOM 243 O CYS A 18 -1.942 9.559 0.321 1.00 0.47 O ATOM 244 CB CYS A 18 -0.041 11.428 2.366 1.00 0.56 C ATOM 245 SG CYS A 18 1.135 12.793 2.517 1.00 0.73 S ATOM 0 H CYS A 18 -1.653 13.304 2.280 1.00 0.44 H new ATOM 0 HA CYS A 18 -0.528 11.610 0.300 1.00 0.44 H new ATOM 0 HB2 CYS A 18 -0.571 11.319 3.312 1.00 0.56 H new ATOM 0 HB3 CYS A 18 0.516 10.505 2.205 1.00 0.56 H new ATOM 0 HG CYS A 18 2.262 12.345 2.986 1.00 0.73 H new ATOM 250 N VAL A 19 -2.923 10.316 2.210 1.00 0.51 N ATOM 251 CA VAL A 19 -3.877 9.217 2.348 1.00 0.64 C ATOM 252 C VAL A 19 -4.538 8.909 0.995 1.00 0.55 C ATOM 253 O VAL A 19 -4.376 7.813 0.448 1.00 0.52 O ATOM 254 CB VAL A 19 -4.925 9.538 3.437 1.00 0.87 C ATOM 255 CG1 VAL A 19 -5.954 8.415 3.609 1.00 0.97 C ATOM 256 CG2 VAL A 19 -4.296 9.765 4.817 1.00 1.10 C ATOM 0 H VAL A 19 -3.007 11.023 2.940 1.00 0.51 H new ATOM 0 HA VAL A 19 -3.340 8.323 2.666 1.00 0.64 H new ATOM 0 HB VAL A 19 -5.405 10.450 3.083 1.00 0.87 H new ATOM 0 HG11 VAL A 19 -6.667 8.691 4.386 1.00 0.97 H new ATOM 0 HG12 VAL A 19 -6.483 8.260 2.669 1.00 0.97 H new ATOM 0 HG13 VAL A 19 -5.444 7.495 3.895 1.00 0.97 H new ATOM 0 HG21 VAL A 19 -5.079 9.987 5.542 1.00 1.10 H new ATOM 0 HG22 VAL A 19 -3.760 8.867 5.125 1.00 1.10 H new ATOM 0 HG23 VAL A 19 -3.601 10.603 4.767 1.00 1.10 H new ATOM 266 N HIS A 20 -5.301 9.866 0.452 1.00 0.58 N ATOM 267 CA HIS A 20 -6.048 9.603 -0.772 1.00 0.64 C ATOM 268 C HIS A 20 -5.133 9.492 -1.997 1.00 0.56 C ATOM 269 O HIS A 20 -5.447 8.738 -2.917 1.00 0.59 O ATOM 270 CB HIS A 20 -7.251 10.543 -0.947 1.00 0.78 C ATOM 271 CG HIS A 20 -6.988 11.854 -1.641 1.00 0.79 C ATOM 272 ND1 HIS A 20 -7.791 12.442 -2.591 1.00 0.92 N ATOM 273 CD2 HIS A 20 -5.956 12.712 -1.390 1.00 0.81 C ATOM 274 CE1 HIS A 20 -7.241 13.627 -2.907 1.00 0.93 C ATOM 275 NE2 HIS A 20 -6.116 13.836 -2.204 1.00 0.92 N ATOM 0 H HIS A 20 -5.413 10.805 0.833 1.00 0.58 H new ATOM 0 HA HIS A 20 -6.496 8.615 -0.671 1.00 0.64 H new ATOM 0 HB2 HIS A 20 -8.021 10.010 -1.505 1.00 0.78 H new ATOM 0 HB3 HIS A 20 -7.663 10.756 0.039 1.00 0.78 H new ATOM 0 HD2 HIS A 20 -5.155 12.550 -0.684 1.00 0.81 H new ATOM 0 HE1 HIS A 20 -7.649 14.318 -3.629 1.00 0.93 H new ATOM 0 HE2 HIS A 20 -5.503 14.650 -2.254 1.00 0.92 H new ATOM 283 N LYS A 21 -3.999 10.208 -2.021 1.00 0.54 N ATOM 284 CA LYS A 21 -3.025 10.070 -3.098 1.00 0.53 C ATOM 285 C LYS A 21 -2.572 8.615 -3.191 1.00 0.44 C ATOM 286 O LYS A 21 -2.600 8.028 -4.272 1.00 0.50 O ATOM 287 CB LYS A 21 -1.831 11.009 -2.863 1.00 0.58 C ATOM 288 CG LYS A 21 -0.643 10.897 -3.834 1.00 0.75 C ATOM 289 CD LYS A 21 -0.837 11.677 -5.142 1.00 1.84 C ATOM 290 CE LYS A 21 -1.520 10.856 -6.246 1.00 3.73 C ATOM 291 NZ LYS A 21 -1.862 11.690 -7.417 1.00 5.35 N ATOM 0 H LYS A 21 -3.740 10.886 -1.305 1.00 0.54 H new ATOM 0 HA LYS A 21 -3.487 10.352 -4.044 1.00 0.53 H new ATOM 0 HB2 LYS A 21 -2.197 12.035 -2.895 1.00 0.58 H new ATOM 0 HB3 LYS A 21 -1.459 10.835 -1.853 1.00 0.58 H new ATOM 0 HG2 LYS A 21 0.257 11.259 -3.336 1.00 0.75 H new ATOM 0 HG3 LYS A 21 -0.476 9.846 -4.070 1.00 0.75 H new ATOM 0 HD2 LYS A 21 -1.432 12.567 -4.940 1.00 1.84 H new ATOM 0 HD3 LYS A 21 0.134 12.018 -5.501 1.00 1.84 H new ATOM 0 HE2 LYS A 21 -0.861 10.045 -6.557 1.00 3.73 H new ATOM 0 HE3 LYS A 21 -2.426 10.396 -5.850 1.00 3.73 H new ATOM 0 HZ1 LYS A 21 -2.321 11.101 -8.141 1.00 5.35 H new ATOM 0 HZ2 LYS A 21 -2.511 12.449 -7.125 1.00 5.35 H new ATOM 0 HZ3 LYS A 21 -0.995 12.108 -7.810 1.00 5.35 H new ATOM 305 N ILE A 22 -2.144 8.046 -2.061 1.00 0.39 N ATOM 306 CA ILE A 22 -1.737 6.653 -1.977 1.00 0.41 C ATOM 307 C ILE A 22 -2.889 5.795 -2.466 1.00 0.43 C ATOM 308 O ILE A 22 -2.748 5.106 -3.472 1.00 0.45 O ATOM 309 CB ILE A 22 -1.333 6.290 -0.538 1.00 0.51 C ATOM 310 CG1 ILE A 22 -0.038 7.029 -0.197 1.00 0.49 C ATOM 311 CG2 ILE A 22 -1.120 4.778 -0.365 1.00 0.70 C ATOM 312 CD1 ILE A 22 0.172 7.129 1.310 1.00 0.89 C ATOM 0 H ILE A 22 -2.072 8.548 -1.176 1.00 0.39 H new ATOM 0 HA ILE A 22 -0.862 6.476 -2.603 1.00 0.41 H new ATOM 0 HB ILE A 22 -2.140 6.586 0.132 1.00 0.51 H new ATOM 0 HG12 ILE A 22 0.807 6.510 -0.649 1.00 0.49 H new ATOM 0 HG13 ILE A 22 -0.065 8.030 -0.628 1.00 0.49 H new ATOM 0 HG21 ILE A 22 -0.836 4.566 0.666 1.00 0.70 H new ATOM 0 HG22 ILE A 22 -2.044 4.251 -0.602 1.00 0.70 H new ATOM 0 HG23 ILE A 22 -0.329 4.443 -1.036 1.00 0.70 H new ATOM 0 HD11 ILE A 22 1.102 7.660 1.513 1.00 0.89 H new ATOM 0 HD12 ILE A 22 -0.661 7.671 1.758 1.00 0.89 H new ATOM 0 HD13 ILE A 22 0.225 6.128 1.737 1.00 0.89 H new ATOM 324 N GLU A 23 -4.021 5.856 -1.762 1.00 0.47 N ATOM 325 CA GLU A 23 -5.154 4.989 -2.032 1.00 0.53 C ATOM 326 C GLU A 23 -5.485 5.003 -3.527 1.00 0.46 C ATOM 327 O GLU A 23 -5.416 3.970 -4.188 1.00 0.57 O ATOM 328 CB GLU A 23 -6.322 5.403 -1.129 1.00 0.67 C ATOM 329 CG GLU A 23 -7.408 4.331 -1.059 1.00 1.34 C ATOM 330 CD GLU A 23 -8.230 4.239 -2.341 1.00 2.80 C ATOM 331 OE1 GLU A 23 -8.514 5.312 -2.914 1.00 3.89 O ATOM 332 OE2 GLU A 23 -8.521 3.097 -2.750 1.00 3.67 O ATOM 0 H GLU A 23 -4.171 6.508 -0.992 1.00 0.47 H new ATOM 0 HA GLU A 23 -4.920 3.951 -1.793 1.00 0.53 H new ATOM 0 HB2 GLU A 23 -5.949 5.605 -0.125 1.00 0.67 H new ATOM 0 HB3 GLU A 23 -6.755 6.332 -1.501 1.00 0.67 H new ATOM 0 HG2 GLU A 23 -6.946 3.364 -0.859 1.00 1.34 H new ATOM 0 HG3 GLU A 23 -8.072 4.547 -0.222 1.00 1.34 H new ATOM 339 N SER A 24 -5.737 6.187 -4.083 1.00 0.43 N ATOM 340 CA SER A 24 -6.056 6.347 -5.491 1.00 0.53 C ATOM 341 C SER A 24 -4.939 5.784 -6.381 1.00 0.60 C ATOM 342 O SER A 24 -5.198 5.046 -7.334 1.00 0.83 O ATOM 343 CB SER A 24 -6.309 7.836 -5.765 1.00 0.63 C ATOM 344 OG SER A 24 -6.667 8.061 -7.115 1.00 0.97 O ATOM 0 H SER A 24 -5.724 7.064 -3.562 1.00 0.43 H new ATOM 0 HA SER A 24 -6.955 5.780 -5.734 1.00 0.53 H new ATOM 0 HB2 SER A 24 -7.103 8.197 -5.112 1.00 0.63 H new ATOM 0 HB3 SER A 24 -5.413 8.409 -5.525 1.00 0.63 H new ATOM 0 HG SER A 24 -6.823 9.018 -7.257 1.00 0.97 H new ATOM 350 N SER A 25 -3.685 6.152 -6.096 1.00 0.53 N ATOM 351 CA SER A 25 -2.575 5.823 -6.974 1.00 0.60 C ATOM 352 C SER A 25 -2.255 4.337 -6.906 1.00 0.87 C ATOM 353 O SER A 25 -1.647 3.797 -7.825 1.00 1.49 O ATOM 354 CB SER A 25 -1.349 6.689 -6.687 1.00 0.63 C ATOM 355 OG SER A 25 -0.436 6.614 -7.775 1.00 1.24 O ATOM 0 H SER A 25 -3.421 6.677 -5.262 1.00 0.53 H new ATOM 0 HA SER A 25 -2.879 6.047 -7.997 1.00 0.60 H new ATOM 0 HB2 SER A 25 -1.653 7.723 -6.527 1.00 0.63 H new ATOM 0 HB3 SER A 25 -0.864 6.354 -5.770 1.00 0.63 H new ATOM 0 HG SER A 25 -0.613 7.347 -8.401 1.00 1.24 H new ATOM 361 N LEU A 26 -2.620 3.660 -5.832 1.00 0.58 N ATOM 362 CA LEU A 26 -2.672 2.218 -5.841 1.00 0.60 C ATOM 363 C LEU A 26 -3.879 1.729 -6.642 1.00 0.59 C ATOM 364 O LEU A 26 -3.733 1.052 -7.653 1.00 0.72 O ATOM 365 CB LEU A 26 -2.721 1.737 -4.402 1.00 0.69 C ATOM 366 CG LEU A 26 -1.362 1.599 -3.706 1.00 0.88 C ATOM 367 CD1 LEU A 26 -0.358 2.718 -4.016 1.00 2.54 C ATOM 368 CD2 LEU A 26 -1.629 1.560 -2.201 1.00 2.23 C ATOM 0 H LEU A 26 -2.884 4.090 -4.945 1.00 0.58 H new ATOM 0 HA LEU A 26 -1.786 1.809 -6.326 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -3.336 2.429 -3.827 1.00 0.69 H new ATOM 0 HB3 LEU A 26 -3.222 0.769 -4.377 1.00 0.69 H new ATOM 0 HG LEU A 26 -0.895 0.689 -4.083 1.00 0.88 H new ATOM 0 HD11 LEU A 26 0.572 2.532 -3.478 1.00 2.54 H new ATOM 0 HD12 LEU A 26 -0.159 2.742 -5.087 1.00 2.54 H new ATOM 0 HD13 LEU A 26 -0.773 3.676 -3.703 1.00 2.54 H new ATOM 0 HD21 LEU A 26 -0.684 1.462 -1.666 1.00 2.23 H new ATOM 0 HD22 LEU A 26 -2.125 2.481 -1.895 1.00 2.23 H new ATOM 0 HD23 LEU A 26 -2.268 0.709 -1.967 1.00 2.23 H new ATOM 380 N THR A 27 -5.084 2.047 -6.176 1.00 0.61 N ATOM 381 CA THR A 27 -6.331 1.500 -6.684 1.00 0.68 C ATOM 382 C THR A 27 -6.498 1.687 -8.198 1.00 0.72 C ATOM 383 O THR A 27 -7.192 0.898 -8.835 1.00 1.02 O ATOM 384 CB THR A 27 -7.465 2.068 -5.823 1.00 0.90 C ATOM 385 OG1 THR A 27 -7.172 1.671 -4.498 1.00 2.30 O ATOM 386 CG2 THR A 27 -8.855 1.545 -6.191 1.00 1.41 C ATOM 0 H THR A 27 -5.219 2.711 -5.414 1.00 0.61 H new ATOM 0 HA THR A 27 -6.343 0.414 -6.590 1.00 0.68 H new ATOM 0 HB THR A 27 -7.507 3.147 -5.970 1.00 0.90 H new ATOM 0 HG1 THR A 27 -7.924 1.901 -3.914 1.00 2.30 H new ATOM 0 HG21 THR A 27 -9.599 1.996 -5.534 1.00 1.41 H new ATOM 0 HG22 THR A 27 -9.079 1.804 -7.226 1.00 1.41 H new ATOM 0 HG23 THR A 27 -8.878 0.461 -6.075 1.00 1.41 H new ATOM 394 N LYS A 28 -5.825 2.674 -8.802 1.00 0.94 N ATOM 395 CA LYS A 28 -5.768 2.789 -10.256 1.00 1.04 C ATOM 396 C LYS A 28 -5.301 1.510 -10.968 1.00 1.05 C ATOM 397 O LYS A 28 -5.723 1.247 -12.093 1.00 1.31 O ATOM 398 CB LYS A 28 -4.918 3.991 -10.686 1.00 1.10 C ATOM 399 CG LYS A 28 -3.413 3.866 -10.440 1.00 1.51 C ATOM 400 CD LYS A 28 -2.705 5.138 -10.947 1.00 2.72 C ATOM 401 CE LYS A 28 -1.180 5.002 -11.101 1.00 3.89 C ATOM 402 NZ LYS A 28 -0.465 4.858 -9.816 1.00 5.36 N ATOM 0 H LYS A 28 -5.314 3.402 -8.303 1.00 0.94 H new ATOM 0 HA LYS A 28 -6.798 2.949 -10.573 1.00 1.04 H new ATOM 0 HB2 LYS A 28 -5.080 4.164 -11.750 1.00 1.10 H new ATOM 0 HB3 LYS A 28 -5.281 4.875 -10.161 1.00 1.10 H new ATOM 0 HG2 LYS A 28 -3.217 3.727 -9.377 1.00 1.51 H new ATOM 0 HG3 LYS A 28 -3.021 2.989 -10.954 1.00 1.51 H new ATOM 0 HD2 LYS A 28 -3.131 5.416 -11.911 1.00 2.72 H new ATOM 0 HD3 LYS A 28 -2.916 5.955 -10.257 1.00 2.72 H new ATOM 0 HE2 LYS A 28 -0.962 4.137 -11.727 1.00 3.89 H new ATOM 0 HE3 LYS A 28 -0.797 5.878 -11.624 1.00 3.89 H new ATOM 0 HZ1 LYS A 28 0.527 4.603 -9.997 1.00 5.36 H new ATOM 0 HZ2 LYS A 28 -0.502 5.758 -9.296 1.00 5.36 H new ATOM 0 HZ3 LYS A 28 -0.916 4.112 -9.249 1.00 5.36 H new ATOM 416 N HIS A 29 -4.381 0.747 -10.374 1.00 0.89 N ATOM 417 CA HIS A 29 -3.851 -0.445 -11.017 1.00 1.05 C ATOM 418 C HIS A 29 -4.945 -1.506 -11.050 1.00 1.23 C ATOM 419 O HIS A 29 -5.387 -1.953 -9.996 1.00 1.79 O ATOM 420 CB HIS A 29 -2.640 -0.988 -10.246 1.00 1.01 C ATOM 421 CG HIS A 29 -1.564 0.024 -9.962 1.00 1.00 C ATOM 422 ND1 HIS A 29 -0.849 0.756 -10.881 1.00 1.97 N ATOM 423 CD2 HIS A 29 -1.149 0.405 -8.717 1.00 0.91 C ATOM 424 CE1 HIS A 29 -0.032 1.564 -10.182 1.00 1.75 C ATOM 425 NE2 HIS A 29 -0.189 1.404 -8.864 1.00 1.03 N ATOM 0 H HIS A 29 -3.992 0.937 -9.451 1.00 0.89 H new ATOM 0 HA HIS A 29 -3.530 -0.193 -12.028 1.00 1.05 H new ATOM 0 HB2 HIS A 29 -2.987 -1.403 -9.300 1.00 1.01 H new ATOM 0 HB3 HIS A 29 -2.205 -1.810 -10.814 1.00 1.01 H new ATOM 0 HD1 HIS A 29 -0.924 0.697 -11.897 1.00 1.97 H new ATOM 0 HD2 HIS A 29 -1.504 0.001 -7.780 1.00 0.91 H new ATOM 0 HE1 HIS A 29 0.665 2.257 -10.630 1.00 1.75 H new ATOM 433 N ARG A 30 -5.340 -1.978 -12.236 1.00 1.39 N ATOM 434 CA ARG A 30 -6.233 -3.128 -12.353 1.00 1.44 C ATOM 435 C ARG A 30 -5.482 -4.432 -12.039 1.00 1.64 C ATOM 436 O ARG A 30 -5.441 -5.353 -12.855 1.00 2.89 O ATOM 437 CB ARG A 30 -6.916 -3.133 -13.733 1.00 1.92 C ATOM 438 CG ARG A 30 -5.937 -3.097 -14.925 1.00 2.55 C ATOM 439 CD ARG A 30 -6.300 -4.140 -15.992 1.00 3.19 C ATOM 440 NE ARG A 30 -6.128 -5.492 -15.445 1.00 4.20 N ATOM 441 CZ ARG A 30 -6.441 -6.656 -16.026 1.00 5.54 C ATOM 442 NH1 ARG A 30 -6.910 -6.672 -17.279 1.00 6.02 N ATOM 443 NH2 ARG A 30 -6.285 -7.792 -15.339 1.00 7.02 N ATOM 0 H ARG A 30 -5.053 -1.578 -13.129 1.00 1.39 H new ATOM 0 HA ARG A 30 -7.028 -3.050 -11.612 1.00 1.44 H new ATOM 0 HB2 ARG A 30 -7.537 -4.025 -13.815 1.00 1.92 H new ATOM 0 HB3 ARG A 30 -7.582 -2.273 -13.799 1.00 1.92 H new ATOM 0 HG2 ARG A 30 -5.944 -2.103 -15.371 1.00 2.55 H new ATOM 0 HG3 ARG A 30 -4.923 -3.279 -14.569 1.00 2.55 H new ATOM 0 HD2 ARG A 30 -7.331 -3.998 -16.317 1.00 3.19 H new ATOM 0 HD3 ARG A 30 -5.668 -4.010 -16.871 1.00 3.19 H new ATOM 0 HE ARG A 30 -5.722 -5.551 -14.511 1.00 4.20 H new ATOM 0 HH11 ARG A 30 -7.029 -5.797 -17.790 1.00 6.02 H new ATOM 0 HH12 ARG A 30 -7.149 -7.559 -17.723 1.00 6.02 H new ATOM 0 HH21 ARG A 30 -5.931 -7.765 -14.383 1.00 7.02 H new ATOM 0 HH22 ARG A 30 -6.520 -8.686 -15.771 1.00 7.02 H new ATOM 457 N GLY A 31 -4.884 -4.509 -10.853 1.00 1.27 N ATOM 458 CA GLY A 31 -4.126 -5.655 -10.386 1.00 1.28 C ATOM 459 C GLY A 31 -4.022 -5.599 -8.869 1.00 1.10 C ATOM 460 O GLY A 31 -2.961 -5.811 -8.289 1.00 1.97 O ATOM 0 H GLY A 31 -4.918 -3.749 -10.173 1.00 1.27 H new ATOM 0 HA2 GLY A 31 -4.613 -6.580 -10.696 1.00 1.28 H new ATOM 0 HA3 GLY A 31 -3.131 -5.655 -10.831 1.00 1.28 H new ATOM 464 N ILE A 32 -5.145 -5.250 -8.246 1.00 1.16 N ATOM 465 CA ILE A 32 -5.353 -5.144 -6.819 1.00 1.03 C ATOM 466 C ILE A 32 -6.812 -5.534 -6.596 1.00 1.06 C ATOM 467 O ILE A 32 -7.591 -5.528 -7.552 1.00 1.51 O ATOM 468 CB ILE A 32 -5.051 -3.715 -6.318 1.00 1.16 C ATOM 469 CG1 ILE A 32 -5.961 -2.634 -6.928 1.00 2.12 C ATOM 470 CG2 ILE A 32 -3.579 -3.340 -6.540 1.00 1.52 C ATOM 471 CD1 ILE A 32 -7.189 -2.339 -6.062 1.00 2.94 C ATOM 0 H ILE A 32 -5.989 -5.019 -8.770 1.00 1.16 H new ATOM 0 HA ILE A 32 -4.682 -5.794 -6.257 1.00 1.03 H new ATOM 0 HB ILE A 32 -5.263 -3.741 -5.249 1.00 1.16 H new ATOM 0 HG12 ILE A 32 -5.388 -1.717 -7.064 1.00 2.12 H new ATOM 0 HG13 ILE A 32 -6.287 -2.955 -7.917 1.00 2.12 H new ATOM 0 HG21 ILE A 32 -3.402 -2.328 -6.176 1.00 1.52 H new ATOM 0 HG22 ILE A 32 -2.940 -4.037 -5.998 1.00 1.52 H new ATOM 0 HG23 ILE A 32 -3.348 -3.388 -7.604 1.00 1.52 H new ATOM 0 HD11 ILE A 32 -7.795 -1.569 -6.540 1.00 2.94 H new ATOM 0 HD12 ILE A 32 -7.780 -3.248 -5.948 1.00 2.94 H new ATOM 0 HD13 ILE A 32 -6.867 -1.990 -5.081 1.00 2.94 H new ATOM 483 N LEU A 33 -7.185 -5.848 -5.356 1.00 0.72 N ATOM 484 CA LEU A 33 -8.568 -6.064 -4.957 1.00 0.76 C ATOM 485 C LEU A 33 -9.022 -4.938 -4.032 1.00 0.69 C ATOM 486 O LEU A 33 -10.150 -4.470 -4.175 1.00 0.80 O ATOM 487 CB LEU A 33 -8.770 -7.431 -4.278 1.00 0.82 C ATOM 488 CG LEU A 33 -8.882 -8.658 -5.204 1.00 1.29 C ATOM 489 CD1 LEU A 33 -9.874 -8.464 -6.358 1.00 2.66 C ATOM 490 CD2 LEU A 33 -7.532 -9.127 -5.747 1.00 1.80 C ATOM 0 H LEU A 33 -6.521 -5.960 -4.590 1.00 0.72 H new ATOM 0 HA LEU A 33 -9.178 -6.062 -5.861 1.00 0.76 H new ATOM 0 HB2 LEU A 33 -7.938 -7.597 -3.594 1.00 0.82 H new ATOM 0 HB3 LEU A 33 -9.675 -7.379 -3.672 1.00 0.82 H new ATOM 0 HG LEU A 33 -9.276 -9.443 -4.558 1.00 1.29 H new ATOM 0 HD11 LEU A 33 -9.902 -9.366 -6.969 1.00 2.66 H new ATOM 0 HD12 LEU A 33 -10.867 -8.268 -5.955 1.00 2.66 H new ATOM 0 HD13 LEU A 33 -9.558 -7.620 -6.971 1.00 2.66 H new ATOM 0 HD21 LEU A 33 -7.680 -9.993 -6.391 1.00 1.80 H new ATOM 0 HD22 LEU A 33 -7.071 -8.323 -6.321 1.00 1.80 H new ATOM 0 HD23 LEU A 33 -6.881 -9.400 -4.917 1.00 1.80 H new ATOM 502 N TYR A 34 -8.197 -4.511 -3.065 1.00 0.58 N ATOM 503 CA TYR A 34 -8.640 -3.504 -2.112 1.00 0.61 C ATOM 504 C TYR A 34 -7.452 -2.762 -1.514 1.00 0.56 C ATOM 505 O TYR A 34 -6.345 -3.298 -1.499 1.00 0.47 O ATOM 506 CB TYR A 34 -9.480 -4.176 -1.018 1.00 0.67 C ATOM 507 CG TYR A 34 -10.162 -3.205 -0.077 1.00 0.73 C ATOM 508 CD1 TYR A 34 -11.077 -2.263 -0.583 1.00 1.78 C ATOM 509 CD2 TYR A 34 -9.841 -3.205 1.292 1.00 1.71 C ATOM 510 CE1 TYR A 34 -11.605 -1.273 0.262 1.00 1.88 C ATOM 511 CE2 TYR A 34 -10.418 -2.251 2.144 1.00 1.70 C ATOM 512 CZ TYR A 34 -11.248 -1.247 1.619 1.00 0.95 C ATOM 513 OH TYR A 34 -11.715 -0.260 2.429 1.00 1.15 O ATOM 0 H TYR A 34 -7.242 -4.843 -2.930 1.00 0.58 H new ATOM 0 HA TYR A 34 -9.255 -2.768 -2.629 1.00 0.61 H new ATOM 0 HB2 TYR A 34 -10.238 -4.801 -1.490 1.00 0.67 H new ATOM 0 HB3 TYR A 34 -8.838 -4.838 -0.437 1.00 0.67 H new ATOM 0 HD1 TYR A 34 -11.373 -2.301 -1.621 1.00 1.78 H new ATOM 0 HD2 TYR A 34 -9.152 -3.937 1.687 1.00 1.71 H new ATOM 0 HE1 TYR A 34 -12.285 -0.532 -0.132 1.00 1.88 H new ATOM 0 HE2 TYR A 34 -10.223 -2.289 3.206 1.00 1.70 H new ATOM 0 HH TYR A 34 -12.101 -0.656 3.238 1.00 1.15 H new ATOM 523 N CYS A 35 -7.708 -1.556 -1.000 1.00 0.69 N ATOM 524 CA CYS A 35 -6.745 -0.663 -0.381 1.00 0.67 C ATOM 525 C CYS A 35 -7.474 0.021 0.778 1.00 0.74 C ATOM 526 O CYS A 35 -8.533 0.602 0.556 1.00 1.10 O ATOM 527 CB CYS A 35 -6.303 0.390 -1.408 1.00 0.92 C ATOM 528 SG CYS A 35 -5.312 -0.324 -2.738 1.00 2.43 S ATOM 0 H CYS A 35 -8.648 -1.161 -1.009 1.00 0.69 H new ATOM 0 HA CYS A 35 -5.863 -1.199 -0.031 1.00 0.67 H new ATOM 0 HB2 CYS A 35 -7.183 0.872 -1.833 1.00 0.92 H new ATOM 0 HB3 CYS A 35 -5.726 1.166 -0.904 1.00 0.92 H new ATOM 0 HG CYS A 35 -5.679 0.188 -3.875 1.00 2.43 H new ATOM 534 N SER A 36 -6.947 -0.057 2.005 1.00 0.61 N ATOM 535 CA SER A 36 -7.471 0.661 3.167 1.00 0.74 C ATOM 536 C SER A 36 -6.302 1.292 3.921 1.00 0.73 C ATOM 537 O SER A 36 -5.542 0.589 4.587 1.00 0.76 O ATOM 538 CB SER A 36 -8.274 -0.284 4.077 1.00 0.87 C ATOM 539 OG SER A 36 -9.631 0.119 4.156 1.00 1.95 O ATOM 0 H SER A 36 -6.131 -0.631 2.220 1.00 0.61 H new ATOM 0 HA SER A 36 -8.152 1.445 2.837 1.00 0.74 H new ATOM 0 HB2 SER A 36 -8.215 -1.302 3.693 1.00 0.87 H new ATOM 0 HB3 SER A 36 -7.835 -0.294 5.075 1.00 0.87 H new ATOM 0 HG SER A 36 -10.139 -0.299 3.430 1.00 1.95 H new ATOM 545 N VAL A 37 -6.162 2.612 3.808 1.00 0.89 N ATOM 546 CA VAL A 37 -5.043 3.385 4.323 1.00 0.88 C ATOM 547 C VAL A 37 -5.420 4.075 5.636 1.00 0.83 C ATOM 548 O VAL A 37 -6.573 4.465 5.811 1.00 0.98 O ATOM 549 CB VAL A 37 -4.609 4.414 3.262 1.00 1.26 C ATOM 550 CG1 VAL A 37 -3.829 3.741 2.130 1.00 1.26 C ATOM 551 CG2 VAL A 37 -5.800 5.164 2.650 1.00 2.60 C ATOM 0 H VAL A 37 -6.856 3.192 3.335 1.00 0.89 H new ATOM 0 HA VAL A 37 -4.208 2.717 4.533 1.00 0.88 H new ATOM 0 HB VAL A 37 -3.974 5.131 3.783 1.00 1.26 H new ATOM 0 HG11 VAL A 37 -3.535 4.490 1.395 1.00 1.26 H new ATOM 0 HG12 VAL A 37 -2.938 3.262 2.537 1.00 1.26 H new ATOM 0 HG13 VAL A 37 -4.458 2.990 1.651 1.00 1.26 H new ATOM 0 HG21 VAL A 37 -5.439 5.877 1.909 1.00 2.60 H new ATOM 0 HG22 VAL A 37 -6.472 4.451 2.171 1.00 2.60 H new ATOM 0 HG23 VAL A 37 -6.336 5.697 3.435 1.00 2.60 H new ATOM 561 N ALA A 38 -4.458 4.253 6.549 1.00 0.72 N ATOM 562 CA ALA A 38 -4.617 5.126 7.701 1.00 0.71 C ATOM 563 C ALA A 38 -3.311 5.873 7.935 1.00 0.76 C ATOM 564 O ALA A 38 -2.277 5.229 8.117 1.00 0.83 O ATOM 565 CB ALA A 38 -4.957 4.293 8.936 1.00 0.71 C ATOM 0 H ALA A 38 -3.549 3.792 6.503 1.00 0.72 H new ATOM 0 HA ALA A 38 -5.424 5.836 7.517 1.00 0.71 H new ATOM 0 HB1 ALA A 38 -5.075 4.951 9.797 1.00 0.71 H new ATOM 0 HB2 ALA A 38 -5.886 3.750 8.764 1.00 0.71 H new ATOM 0 HB3 ALA A 38 -4.152 3.584 9.129 1.00 0.71 H new ATOM 571 N LEU A 39 -3.366 7.209 7.990 1.00 0.93 N ATOM 572 CA LEU A 39 -2.234 8.009 8.445 1.00 1.07 C ATOM 573 C LEU A 39 -1.939 7.727 9.917 1.00 0.96 C ATOM 574 O LEU A 39 -0.778 7.617 10.302 1.00 1.15 O ATOM 575 CB LEU A 39 -2.394 9.508 8.123 1.00 1.31 C ATOM 576 CG LEU A 39 -3.728 10.223 8.430 1.00 1.17 C ATOM 577 CD1 LEU A 39 -4.076 10.324 9.919 1.00 1.59 C ATOM 578 CD2 LEU A 39 -3.619 11.652 7.885 1.00 1.60 C ATOM 0 H LEU A 39 -4.185 7.755 7.724 1.00 0.93 H new ATOM 0 HA LEU A 39 -1.355 7.702 7.878 1.00 1.07 H new ATOM 0 HB2 LEU A 39 -1.609 10.041 8.660 1.00 1.31 H new ATOM 0 HB3 LEU A 39 -2.195 9.635 7.059 1.00 1.31 H new ATOM 0 HG LEU A 39 -4.515 9.628 7.966 1.00 1.17 H new ATOM 0 HD11 LEU A 39 -5.029 10.841 10.036 1.00 1.59 H new ATOM 0 HD12 LEU A 39 -4.152 9.323 10.344 1.00 1.59 H new ATOM 0 HD13 LEU A 39 -3.295 10.880 10.438 1.00 1.59 H new ATOM 0 HD21 LEU A 39 -4.546 12.189 8.084 1.00 1.60 H new ATOM 0 HD22 LEU A 39 -2.790 12.165 8.373 1.00 1.60 H new ATOM 0 HD23 LEU A 39 -3.443 11.619 6.810 1.00 1.60 H new ATOM 590 N ALA A 40 -2.987 7.525 10.723 1.00 0.91 N ATOM 591 CA ALA A 40 -2.895 7.348 12.165 1.00 1.09 C ATOM 592 C ALA A 40 -1.859 6.285 12.524 1.00 1.27 C ATOM 593 O ALA A 40 -0.982 6.523 13.350 1.00 1.72 O ATOM 594 CB ALA A 40 -4.274 6.989 12.725 1.00 1.19 C ATOM 0 H ALA A 40 -3.945 7.480 10.375 1.00 0.91 H new ATOM 0 HA ALA A 40 -2.565 8.284 12.616 1.00 1.09 H new ATOM 0 HB1 ALA A 40 -4.205 6.856 13.805 1.00 1.19 H new ATOM 0 HB2 ALA A 40 -4.977 7.791 12.502 1.00 1.19 H new ATOM 0 HB3 ALA A 40 -4.623 6.063 12.267 1.00 1.19 H new ATOM 600 N THR A 41 -1.956 5.121 11.873 1.00 1.04 N ATOM 601 CA THR A 41 -1.018 4.019 12.060 1.00 1.21 C ATOM 602 C THR A 41 -0.065 3.896 10.857 1.00 1.16 C ATOM 603 O THR A 41 0.726 2.961 10.788 1.00 1.46 O ATOM 604 CB THR A 41 -1.804 2.757 12.461 1.00 1.32 C ATOM 605 OG1 THR A 41 -1.029 1.912 13.286 1.00 3.01 O ATOM 606 CG2 THR A 41 -2.373 1.957 11.304 1.00 1.86 C ATOM 0 H THR A 41 -2.694 4.920 11.198 1.00 1.04 H new ATOM 0 HA THR A 41 -0.335 4.203 12.889 1.00 1.21 H new ATOM 0 HB THR A 41 -2.663 3.141 13.012 1.00 1.32 H new ATOM 0 HG1 THR A 41 -1.553 1.120 13.527 1.00 3.01 H new ATOM 0 HG21 THR A 41 -2.908 1.089 11.690 1.00 1.86 H new ATOM 0 HG22 THR A 41 -3.059 2.582 10.732 1.00 1.86 H new ATOM 0 HG23 THR A 41 -1.561 1.625 10.657 1.00 1.86 H new ATOM 614 N ASN A 42 -0.103 4.877 9.937 1.00 1.08 N ATOM 615 CA ASN A 42 0.799 5.031 8.796 1.00 1.25 C ATOM 616 C ASN A 42 0.948 3.700 8.069 1.00 1.24 C ATOM 617 O ASN A 42 2.034 3.127 7.980 1.00 1.43 O ATOM 618 CB ASN A 42 2.119 5.780 9.129 1.00 1.72 C ATOM 619 CG ASN A 42 2.486 5.932 10.609 1.00 0.76 C ATOM 620 OD1 ASN A 42 3.583 5.566 11.043 1.00 1.78 O ATOM 621 ND2 ASN A 42 1.599 6.548 11.386 1.00 1.39 N ATOM 0 H ASN A 42 -0.802 5.619 9.977 1.00 1.08 H new ATOM 0 HA ASN A 42 0.343 5.717 8.082 1.00 1.25 H new ATOM 0 HB2 ASN A 42 2.937 5.260 8.630 1.00 1.72 H new ATOM 0 HB3 ASN A 42 2.061 6.777 8.692 1.00 1.72 H new ATOM 0 HD21 ASN A 42 1.818 6.729 12.366 1.00 1.39 H new ATOM 0 HD22 ASN A 42 0.700 6.840 11.002 1.00 1.39 H new ATOM 628 N LYS A 43 -0.182 3.197 7.560 1.00 1.09 N ATOM 629 CA LYS A 43 -0.250 1.873 6.964 1.00 1.07 C ATOM 630 C LYS A 43 -1.328 1.787 5.887 1.00 0.79 C ATOM 631 O LYS A 43 -2.188 2.666 5.801 1.00 0.77 O ATOM 632 CB LYS A 43 -0.357 0.809 8.077 1.00 1.21 C ATOM 633 CG LYS A 43 -1.584 -0.110 8.076 1.00 1.50 C ATOM 634 CD LYS A 43 -2.910 0.648 8.259 1.00 1.24 C ATOM 635 CE LYS A 43 -3.898 -0.191 9.078 1.00 1.62 C ATOM 636 NZ LYS A 43 -4.464 -1.264 8.238 1.00 2.35 N ATOM 0 H LYS A 43 -1.069 3.701 7.553 1.00 1.09 H new ATOM 0 HA LYS A 43 0.674 1.664 6.425 1.00 1.07 H new ATOM 0 HB2 LYS A 43 0.532 0.180 8.025 1.00 1.21 H new ATOM 0 HB3 LYS A 43 -0.326 1.325 9.037 1.00 1.21 H new ATOM 0 HG2 LYS A 43 -1.615 -0.662 7.137 1.00 1.50 H new ATOM 0 HG3 LYS A 43 -1.480 -0.845 8.874 1.00 1.50 H new ATOM 0 HD2 LYS A 43 -2.727 1.598 8.761 1.00 1.24 H new ATOM 0 HD3 LYS A 43 -3.341 0.880 7.285 1.00 1.24 H new ATOM 0 HE2 LYS A 43 -3.393 -0.622 9.942 1.00 1.62 H new ATOM 0 HE3 LYS A 43 -4.698 0.444 9.460 1.00 1.62 H new ATOM 0 HZ1 LYS A 43 -4.523 -2.143 8.791 1.00 2.35 H new ATOM 0 HZ2 LYS A 43 -5.416 -0.991 7.920 1.00 2.35 H new ATOM 0 HZ3 LYS A 43 -3.853 -1.416 7.410 1.00 2.35 H new ATOM 650 N ALA A 44 -1.272 0.711 5.097 1.00 0.81 N ATOM 651 CA ALA A 44 -2.136 0.376 3.982 1.00 0.77 C ATOM 652 C ALA A 44 -2.407 -1.120 4.036 1.00 0.69 C ATOM 653 O ALA A 44 -1.516 -1.924 3.767 1.00 0.80 O ATOM 654 CB ALA A 44 -1.466 0.758 2.659 1.00 0.91 C ATOM 0 H ALA A 44 -0.558 -0.003 5.241 1.00 0.81 H new ATOM 0 HA ALA A 44 -3.074 0.927 4.047 1.00 0.77 H new ATOM 0 HB1 ALA A 44 -2.125 0.501 1.830 1.00 0.91 H new ATOM 0 HB2 ALA A 44 -1.269 1.830 2.647 1.00 0.91 H new ATOM 0 HB3 ALA A 44 -0.526 0.215 2.557 1.00 0.91 H new ATOM 660 N HIS A 45 -3.651 -1.468 4.361 1.00 0.64 N ATOM 661 CA HIS A 45 -4.188 -2.802 4.210 1.00 0.66 C ATOM 662 C HIS A 45 -4.526 -2.938 2.736 1.00 0.60 C ATOM 663 O HIS A 45 -5.576 -2.471 2.294 1.00 0.70 O ATOM 664 CB HIS A 45 -5.422 -2.954 5.107 1.00 0.78 C ATOM 665 CG HIS A 45 -5.864 -4.382 5.259 1.00 0.79 C ATOM 666 ND1 HIS A 45 -5.789 -5.137 6.403 1.00 0.95 N ATOM 667 CD2 HIS A 45 -6.318 -5.187 4.256 1.00 0.78 C ATOM 668 CE1 HIS A 45 -6.218 -6.373 6.097 1.00 1.03 C ATOM 669 NE2 HIS A 45 -6.560 -6.459 4.794 1.00 0.95 N ATOM 0 H HIS A 45 -4.324 -0.806 4.746 1.00 0.64 H new ATOM 0 HA HIS A 45 -3.489 -3.583 4.509 1.00 0.66 H new ATOM 0 HB2 HIS A 45 -5.202 -2.541 6.091 1.00 0.78 H new ATOM 0 HB3 HIS A 45 -6.241 -2.368 4.691 1.00 0.78 H new ATOM 0 HD1 HIS A 45 -5.467 -4.818 7.317 1.00 0.95 H new ATOM 0 HD2 HIS A 45 -6.465 -4.895 3.227 1.00 0.78 H new ATOM 0 HE1 HIS A 45 -6.281 -7.190 6.801 1.00 1.03 H new ATOM 677 N ILE A 46 -3.615 -3.542 1.980 1.00 0.57 N ATOM 678 CA ILE A 46 -3.785 -3.797 0.566 1.00 0.52 C ATOM 679 C ILE A 46 -4.097 -5.274 0.416 1.00 0.51 C ATOM 680 O ILE A 46 -3.514 -6.112 1.108 1.00 0.80 O ATOM 681 CB ILE A 46 -2.534 -3.378 -0.214 1.00 0.63 C ATOM 682 CG1 ILE A 46 -2.317 -1.875 0.022 1.00 1.52 C ATOM 683 CG2 ILE A 46 -2.699 -3.680 -1.714 1.00 1.20 C ATOM 684 CD1 ILE A 46 -1.029 -1.393 -0.625 1.00 1.71 C ATOM 0 H ILE A 46 -2.722 -3.872 2.347 1.00 0.57 H new ATOM 0 HA ILE A 46 -4.603 -3.208 0.151 1.00 0.52 H new ATOM 0 HB ILE A 46 -1.667 -3.941 0.132 1.00 0.63 H new ATOM 0 HG12 ILE A 46 -3.161 -1.316 -0.383 1.00 1.52 H new ATOM 0 HG13 ILE A 46 -2.286 -1.674 1.093 1.00 1.52 H new ATOM 0 HG21 ILE A 46 -1.799 -3.374 -2.248 1.00 1.20 H new ATOM 0 HG22 ILE A 46 -2.859 -4.749 -1.854 1.00 1.20 H new ATOM 0 HG23 ILE A 46 -3.556 -3.131 -2.104 1.00 1.20 H new ATOM 0 HD11 ILE A 46 -0.906 -0.326 -0.439 1.00 1.71 H new ATOM 0 HD12 ILE A 46 -0.184 -1.935 -0.201 1.00 1.71 H new ATOM 0 HD13 ILE A 46 -1.073 -1.572 -1.699 1.00 1.71 H new ATOM 696 N LYS A 47 -5.039 -5.580 -0.472 1.00 0.42 N ATOM 697 CA LYS A 47 -5.415 -6.927 -0.836 1.00 0.46 C ATOM 698 C LYS A 47 -5.333 -6.987 -2.357 1.00 0.53 C ATOM 699 O LYS A 47 -5.740 -6.027 -3.014 1.00 0.60 O ATOM 700 CB LYS A 47 -6.819 -7.244 -0.311 1.00 0.64 C ATOM 701 CG LYS A 47 -7.051 -6.685 1.097 1.00 0.87 C ATOM 702 CD LYS A 47 -8.393 -7.163 1.666 1.00 1.61 C ATOM 703 CE LYS A 47 -8.359 -8.551 2.317 1.00 1.57 C ATOM 704 NZ LYS A 47 -7.364 -8.635 3.404 1.00 3.31 N ATOM 0 H LYS A 47 -5.574 -4.868 -0.969 1.00 0.42 H new ATOM 0 HA LYS A 47 -4.757 -7.676 -0.396 1.00 0.46 H new ATOM 0 HB2 LYS A 47 -7.562 -6.829 -0.992 1.00 0.64 H new ATOM 0 HB3 LYS A 47 -6.966 -8.324 -0.300 1.00 0.64 H new ATOM 0 HG2 LYS A 47 -6.241 -7.000 1.755 1.00 0.87 H new ATOM 0 HG3 LYS A 47 -7.032 -5.596 1.067 1.00 0.87 H new ATOM 0 HD2 LYS A 47 -8.737 -6.439 2.405 1.00 1.61 H new ATOM 0 HD3 LYS A 47 -9.129 -7.172 0.862 1.00 1.61 H new ATOM 0 HE2 LYS A 47 -9.347 -8.789 2.712 1.00 1.57 H new ATOM 0 HE3 LYS A 47 -8.130 -9.300 1.559 1.00 1.57 H new ATOM 0 HZ1 LYS A 47 -7.624 -9.405 4.053 1.00 3.31 H new ATOM 0 HZ2 LYS A 47 -6.424 -8.824 3.001 1.00 3.31 H new ATOM 0 HZ3 LYS A 47 -7.342 -7.735 3.925 1.00 3.31 H new ATOM 718 N TYR A 48 -4.759 -8.055 -2.907 1.00 0.83 N ATOM 719 CA TYR A 48 -4.374 -8.152 -4.307 1.00 0.97 C ATOM 720 C TYR A 48 -4.193 -9.628 -4.649 1.00 0.83 C ATOM 721 O TYR A 48 -3.996 -10.435 -3.742 1.00 0.79 O ATOM 722 CB TYR A 48 -3.077 -7.362 -4.548 1.00 1.14 C ATOM 723 CG TYR A 48 -1.854 -7.898 -3.818 1.00 1.03 C ATOM 724 CD1 TYR A 48 -1.722 -7.735 -2.426 1.00 2.31 C ATOM 725 CD2 TYR A 48 -0.845 -8.566 -4.535 1.00 2.25 C ATOM 726 CE1 TYR A 48 -0.629 -8.300 -1.748 1.00 2.41 C ATOM 727 CE2 TYR A 48 0.281 -9.074 -3.866 1.00 2.21 C ATOM 728 CZ TYR A 48 0.377 -8.967 -2.471 1.00 1.19 C ATOM 729 OH TYR A 48 1.439 -9.522 -1.823 1.00 1.37 O ATOM 0 H TYR A 48 -4.545 -8.898 -2.374 1.00 0.83 H new ATOM 0 HA TYR A 48 -5.144 -7.725 -4.949 1.00 0.97 H new ATOM 0 HB2 TYR A 48 -2.868 -7.353 -5.618 1.00 1.14 H new ATOM 0 HB3 TYR A 48 -3.238 -6.327 -4.246 1.00 1.14 H new ATOM 0 HD1 TYR A 48 -2.464 -7.174 -1.877 1.00 2.31 H new ATOM 0 HD2 TYR A 48 -0.936 -8.689 -5.604 1.00 2.25 H new ATOM 0 HE1 TYR A 48 -0.561 -8.222 -0.673 1.00 2.41 H new ATOM 0 HE2 TYR A 48 1.074 -9.547 -4.427 1.00 2.21 H new ATOM 0 HH TYR A 48 2.037 -9.943 -2.476 1.00 1.37 H new ATOM 739 N ASP A 49 -4.261 -9.993 -5.929 1.00 0.94 N ATOM 740 CA ASP A 49 -3.871 -11.324 -6.367 1.00 0.94 C ATOM 741 C ASP A 49 -2.340 -11.346 -6.460 1.00 0.89 C ATOM 742 O ASP A 49 -1.757 -10.476 -7.108 1.00 0.90 O ATOM 743 CB ASP A 49 -4.519 -11.636 -7.720 1.00 1.08 C ATOM 744 CG ASP A 49 -4.072 -10.655 -8.789 1.00 2.06 C ATOM 745 OD1 ASP A 49 -4.498 -9.482 -8.673 1.00 3.55 O ATOM 746 OD2 ASP A 49 -3.291 -11.087 -9.666 1.00 3.11 O ATOM 0 H ASP A 49 -4.584 -9.381 -6.679 1.00 0.94 H new ATOM 0 HA ASP A 49 -4.207 -12.087 -5.664 1.00 0.94 H new ATOM 0 HB2 ASP A 49 -4.260 -12.650 -8.024 1.00 1.08 H new ATOM 0 HB3 ASP A 49 -5.604 -11.600 -7.622 1.00 1.08 H new ATOM 751 N PRO A 50 -1.644 -12.299 -5.822 1.00 0.92 N ATOM 752 CA PRO A 50 -0.189 -12.340 -5.803 1.00 0.94 C ATOM 753 C PRO A 50 0.330 -12.963 -7.104 1.00 1.16 C ATOM 754 O PRO A 50 1.177 -13.856 -7.075 1.00 2.04 O ATOM 755 CB PRO A 50 0.141 -13.176 -4.561 1.00 1.04 C ATOM 756 CG PRO A 50 -1.001 -14.193 -4.532 1.00 1.08 C ATOM 757 CD PRO A 50 -2.199 -13.379 -5.028 1.00 1.00 C ATOM 0 HA PRO A 50 0.284 -11.360 -5.748 1.00 0.94 H new ATOM 0 HB2 PRO A 50 1.114 -13.661 -4.645 1.00 1.04 H new ATOM 0 HB3 PRO A 50 0.165 -12.567 -3.657 1.00 1.04 H new ATOM 0 HG2 PRO A 50 -0.798 -15.047 -5.178 1.00 1.08 H new ATOM 0 HG3 PRO A 50 -1.167 -14.585 -3.529 1.00 1.08 H new ATOM 0 HD2 PRO A 50 -2.871 -13.996 -5.624 1.00 1.00 H new ATOM 0 HD3 PRO A 50 -2.780 -12.990 -4.192 1.00 1.00 H new ATOM 765 N GLU A 51 -0.219 -12.518 -8.239 1.00 0.87 N ATOM 766 CA GLU A 51 -0.092 -13.164 -9.533 1.00 1.12 C ATOM 767 C GLU A 51 0.156 -12.083 -10.583 1.00 0.95 C ATOM 768 O GLU A 51 1.217 -12.063 -11.204 1.00 1.40 O ATOM 769 CB GLU A 51 -1.355 -13.998 -9.817 1.00 1.57 C ATOM 770 CG GLU A 51 -1.578 -15.082 -8.750 1.00 2.21 C ATOM 771 CD GLU A 51 -2.835 -15.901 -9.012 1.00 2.69 C ATOM 772 OE1 GLU A 51 -2.940 -16.433 -10.138 1.00 2.64 O ATOM 773 OE2 GLU A 51 -3.660 -15.987 -8.076 1.00 4.08 O ATOM 0 H GLU A 51 -0.782 -11.668 -8.274 1.00 0.87 H new ATOM 0 HA GLU A 51 0.751 -13.855 -9.555 1.00 1.12 H new ATOM 0 HB2 GLU A 51 -2.224 -13.340 -9.854 1.00 1.57 H new ATOM 0 HB3 GLU A 51 -1.268 -14.466 -10.798 1.00 1.57 H new ATOM 0 HG2 GLU A 51 -0.714 -15.746 -8.723 1.00 2.21 H new ATOM 0 HG3 GLU A 51 -1.650 -14.613 -7.769 1.00 2.21 H new ATOM 780 N ILE A 52 -0.790 -11.157 -10.769 1.00 0.78 N ATOM 781 CA ILE A 52 -0.604 -10.044 -11.692 1.00 0.77 C ATOM 782 C ILE A 52 0.360 -8.998 -11.120 1.00 0.80 C ATOM 783 O ILE A 52 0.996 -8.272 -11.882 1.00 1.00 O ATOM 784 CB ILE A 52 -1.968 -9.439 -12.062 1.00 0.91 C ATOM 785 CG1 ILE A 52 -1.907 -8.725 -13.423 1.00 2.16 C ATOM 786 CG2 ILE A 52 -2.461 -8.483 -10.973 1.00 1.70 C ATOM 787 CD1 ILE A 52 -3.279 -8.218 -13.873 1.00 2.64 C ATOM 0 H ILE A 52 -1.691 -11.160 -10.290 1.00 0.78 H new ATOM 0 HA ILE A 52 -0.143 -10.417 -12.606 1.00 0.77 H new ATOM 0 HB ILE A 52 -2.682 -10.259 -12.141 1.00 0.91 H new ATOM 0 HG12 ILE A 52 -1.214 -7.886 -13.360 1.00 2.16 H new ATOM 0 HG13 ILE A 52 -1.511 -9.410 -14.173 1.00 2.16 H new ATOM 0 HG21 ILE A 52 -3.428 -8.070 -11.262 1.00 1.70 H new ATOM 0 HG22 ILE A 52 -2.564 -9.025 -10.033 1.00 1.70 H new ATOM 0 HG23 ILE A 52 -1.743 -7.672 -10.848 1.00 1.70 H new ATOM 0 HD11 ILE A 52 -3.185 -7.721 -14.839 1.00 2.64 H new ATOM 0 HD12 ILE A 52 -3.966 -9.059 -13.963 1.00 2.64 H new ATOM 0 HD13 ILE A 52 -3.665 -7.512 -13.138 1.00 2.64 H new ATOM 799 N ILE A 53 0.448 -8.906 -9.789 1.00 0.73 N ATOM 800 CA ILE A 53 1.316 -7.995 -9.072 1.00 0.83 C ATOM 801 C ILE A 53 2.003 -8.823 -7.987 1.00 0.99 C ATOM 802 O ILE A 53 1.352 -9.567 -7.255 1.00 1.41 O ATOM 803 CB ILE A 53 0.497 -6.786 -8.542 1.00 0.83 C ATOM 804 CG1 ILE A 53 0.724 -5.578 -9.474 1.00 1.28 C ATOM 805 CG2 ILE A 53 0.801 -6.394 -7.090 1.00 1.12 C ATOM 806 CD1 ILE A 53 0.270 -4.233 -8.894 1.00 0.88 C ATOM 0 H ILE A 53 -0.109 -9.491 -9.167 1.00 0.73 H new ATOM 0 HA ILE A 53 2.085 -7.549 -9.703 1.00 0.83 H new ATOM 0 HB ILE A 53 -0.547 -7.098 -8.543 1.00 0.83 H new ATOM 0 HG12 ILE A 53 1.785 -5.516 -9.715 1.00 1.28 H new ATOM 0 HG13 ILE A 53 0.194 -5.753 -10.410 1.00 1.28 H new ATOM 0 HG21 ILE A 53 0.184 -5.542 -6.806 1.00 1.12 H new ATOM 0 HG22 ILE A 53 0.582 -7.235 -6.433 1.00 1.12 H new ATOM 0 HG23 ILE A 53 1.854 -6.126 -6.998 1.00 1.12 H new ATOM 0 HD11 ILE A 53 0.467 -3.440 -9.616 1.00 0.88 H new ATOM 0 HD12 ILE A 53 -0.798 -4.271 -8.680 1.00 0.88 H new ATOM 0 HD13 ILE A 53 0.818 -4.030 -7.974 1.00 0.88 H new ATOM 818 N GLY A 54 3.325 -8.711 -7.913 1.00 1.05 N ATOM 819 CA GLY A 54 4.128 -9.237 -6.825 1.00 1.13 C ATOM 820 C GLY A 54 4.102 -8.280 -5.627 1.00 1.10 C ATOM 821 O GLY A 54 3.439 -7.243 -5.656 1.00 1.22 O ATOM 0 H GLY A 54 3.878 -8.239 -8.629 1.00 1.05 H new ATOM 0 HA2 GLY A 54 3.750 -10.214 -6.525 1.00 1.13 H new ATOM 0 HA3 GLY A 54 5.155 -9.382 -7.160 1.00 1.13 H new ATOM 825 N PRO A 55 4.805 -8.616 -4.538 1.00 1.11 N ATOM 826 CA PRO A 55 4.778 -7.821 -3.324 1.00 1.15 C ATOM 827 C PRO A 55 5.512 -6.489 -3.513 1.00 0.94 C ATOM 828 O PRO A 55 4.957 -5.423 -3.237 1.00 1.05 O ATOM 829 CB PRO A 55 5.417 -8.705 -2.247 1.00 1.30 C ATOM 830 CG PRO A 55 6.313 -9.669 -3.031 1.00 1.26 C ATOM 831 CD PRO A 55 5.577 -9.834 -4.363 1.00 1.24 C ATOM 0 HA PRO A 55 3.765 -7.538 -3.039 1.00 1.15 H new ATOM 0 HB2 PRO A 55 5.995 -8.113 -1.538 1.00 1.30 H new ATOM 0 HB3 PRO A 55 4.662 -9.242 -1.673 1.00 1.30 H new ATOM 0 HG2 PRO A 55 7.314 -9.262 -3.173 1.00 1.26 H new ATOM 0 HG3 PRO A 55 6.427 -10.622 -2.514 1.00 1.26 H new ATOM 0 HD2 PRO A 55 6.280 -9.974 -5.184 1.00 1.24 H new ATOM 0 HD3 PRO A 55 4.928 -10.710 -4.346 1.00 1.24 H new ATOM 839 N ARG A 56 6.776 -6.531 -3.952 1.00 0.78 N ATOM 840 CA ARG A 56 7.581 -5.318 -3.995 1.00 0.89 C ATOM 841 C ARG A 56 7.053 -4.323 -5.030 1.00 0.77 C ATOM 842 O ARG A 56 7.259 -3.130 -4.870 1.00 0.77 O ATOM 843 CB ARG A 56 9.091 -5.592 -4.105 1.00 1.48 C ATOM 844 CG ARG A 56 9.853 -4.329 -3.662 1.00 2.56 C ATOM 845 CD ARG A 56 11.380 -4.461 -3.670 1.00 3.22 C ATOM 846 NE ARG A 56 12.009 -3.161 -3.972 1.00 4.05 N ATOM 847 CZ ARG A 56 11.978 -2.048 -3.218 1.00 5.28 C ATOM 848 NH1 ARG A 56 11.475 -2.069 -1.984 1.00 6.22 N ATOM 849 NH2 ARG A 56 12.432 -0.905 -3.733 1.00 6.10 N ATOM 0 H ARG A 56 7.250 -7.375 -4.275 1.00 0.78 H new ATOM 0 HA ARG A 56 7.468 -4.832 -3.026 1.00 0.89 H new ATOM 0 HB2 ARG A 56 9.368 -6.440 -3.479 1.00 1.48 H new ATOM 0 HB3 ARG A 56 9.355 -5.853 -5.130 1.00 1.48 H new ATOM 0 HG2 ARG A 56 9.571 -3.504 -4.316 1.00 2.56 H new ATOM 0 HG3 ARG A 56 9.531 -4.062 -2.655 1.00 2.56 H new ATOM 0 HD2 ARG A 56 11.725 -4.822 -2.701 1.00 3.22 H new ATOM 0 HD3 ARG A 56 11.683 -5.200 -4.412 1.00 3.22 H new ATOM 0 HE ARG A 56 12.524 -3.100 -4.850 1.00 4.05 H new ATOM 0 HH11 ARG A 56 11.106 -2.938 -1.598 1.00 6.22 H new ATOM 0 HH12 ARG A 56 11.459 -1.216 -1.425 1.00 6.22 H new ATOM 0 HH21 ARG A 56 12.796 -0.884 -4.686 1.00 6.10 H new ATOM 0 HH22 ARG A 56 12.415 -0.052 -3.174 1.00 6.10 H new ATOM 863 N ASP A 57 6.359 -4.776 -6.066 1.00 0.83 N ATOM 864 CA ASP A 57 5.655 -3.968 -7.056 1.00 0.87 C ATOM 865 C ASP A 57 4.897 -2.814 -6.378 1.00 0.74 C ATOM 866 O ASP A 57 5.012 -1.641 -6.744 1.00 0.78 O ATOM 867 CB ASP A 57 4.656 -4.860 -7.820 1.00 1.09 C ATOM 868 CG ASP A 57 5.158 -6.231 -8.276 1.00 1.91 C ATOM 869 OD1 ASP A 57 6.009 -6.827 -7.575 1.00 2.97 O ATOM 870 OD2 ASP A 57 4.595 -6.726 -9.276 1.00 2.66 O ATOM 0 H ASP A 57 6.266 -5.775 -6.249 1.00 0.83 H new ATOM 0 HA ASP A 57 6.384 -3.545 -7.747 1.00 0.87 H new ATOM 0 HB2 ASP A 57 3.784 -5.013 -7.185 1.00 1.09 H new ATOM 0 HB3 ASP A 57 4.318 -4.313 -8.700 1.00 1.09 H new ATOM 875 N ILE A 58 4.116 -3.159 -5.353 1.00 0.66 N ATOM 876 CA ILE A 58 3.349 -2.193 -4.585 1.00 0.59 C ATOM 877 C ILE A 58 4.310 -1.284 -3.825 1.00 0.53 C ATOM 878 O ILE A 58 4.218 -0.059 -3.906 1.00 0.57 O ATOM 879 CB ILE A 58 2.402 -2.938 -3.636 1.00 0.55 C ATOM 880 CG1 ILE A 58 1.305 -3.647 -4.437 1.00 0.63 C ATOM 881 CG2 ILE A 58 1.729 -1.979 -2.655 1.00 0.66 C ATOM 882 CD1 ILE A 58 0.775 -4.864 -3.677 1.00 0.63 C ATOM 0 H ILE A 58 4.001 -4.122 -5.036 1.00 0.66 H new ATOM 0 HA ILE A 58 2.743 -1.571 -5.244 1.00 0.59 H new ATOM 0 HB ILE A 58 3.001 -3.661 -3.081 1.00 0.55 H new ATOM 0 HG12 ILE A 58 0.488 -2.953 -4.636 1.00 0.63 H new ATOM 0 HG13 ILE A 58 1.700 -3.960 -5.404 1.00 0.63 H new ATOM 0 HG21 ILE A 58 1.065 -2.539 -1.997 1.00 0.66 H new ATOM 0 HG22 ILE A 58 2.490 -1.475 -2.059 1.00 0.66 H new ATOM 0 HG23 ILE A 58 1.152 -1.238 -3.208 1.00 0.66 H new ATOM 0 HD11 ILE A 58 -0.003 -5.350 -4.266 1.00 0.63 H new ATOM 0 HD12 ILE A 58 1.590 -5.566 -3.501 1.00 0.63 H new ATOM 0 HD13 ILE A 58 0.360 -4.544 -2.722 1.00 0.63 H new ATOM 894 N ILE A 59 5.239 -1.879 -3.079 1.00 0.52 N ATOM 895 CA ILE A 59 6.184 -1.138 -2.258 1.00 0.55 C ATOM 896 C ILE A 59 6.927 -0.088 -3.100 1.00 0.60 C ATOM 897 O ILE A 59 7.001 1.068 -2.701 1.00 0.64 O ATOM 898 CB ILE A 59 7.102 -2.132 -1.533 1.00 0.69 C ATOM 899 CG1 ILE A 59 6.305 -2.860 -0.435 1.00 0.79 C ATOM 900 CG2 ILE A 59 8.316 -1.424 -0.936 1.00 0.77 C ATOM 901 CD1 ILE A 59 6.936 -4.195 -0.034 1.00 1.17 C ATOM 0 H ILE A 59 5.355 -2.891 -3.029 1.00 0.52 H new ATOM 0 HA ILE A 59 5.664 -0.568 -1.488 1.00 0.55 H new ATOM 0 HB ILE A 59 7.468 -2.862 -2.255 1.00 0.69 H new ATOM 0 HG12 ILE A 59 6.234 -2.218 0.443 1.00 0.79 H new ATOM 0 HG13 ILE A 59 5.288 -3.034 -0.785 1.00 0.79 H new ATOM 0 HG21 ILE A 59 8.949 -2.152 -0.429 1.00 0.77 H new ATOM 0 HG22 ILE A 59 8.884 -0.942 -1.732 1.00 0.77 H new ATOM 0 HG23 ILE A 59 7.983 -0.672 -0.221 1.00 0.77 H new ATOM 0 HD11 ILE A 59 6.332 -4.664 0.743 1.00 1.17 H new ATOM 0 HD12 ILE A 59 6.982 -4.851 -0.903 1.00 1.17 H new ATOM 0 HD13 ILE A 59 7.944 -4.022 0.344 1.00 1.17 H new ATOM 913 N HIS A 60 7.413 -0.461 -4.285 1.00 0.66 N ATOM 914 CA HIS A 60 8.001 0.445 -5.260 1.00 0.73 C ATOM 915 C HIS A 60 7.077 1.631 -5.519 1.00 0.68 C ATOM 916 O HIS A 60 7.544 2.758 -5.641 1.00 0.73 O ATOM 917 CB HIS A 60 8.257 -0.277 -6.592 1.00 0.83 C ATOM 918 CG HIS A 60 9.356 -1.306 -6.565 1.00 1.65 C ATOM 919 ND1 HIS A 60 9.267 -2.605 -7.011 1.00 2.94 N ATOM 920 CD2 HIS A 60 10.668 -1.061 -6.272 1.00 2.25 C ATOM 921 CE1 HIS A 60 10.503 -3.134 -6.963 1.00 3.69 C ATOM 922 NE2 HIS A 60 11.394 -2.236 -6.501 1.00 3.34 N ATOM 0 H HIS A 60 7.406 -1.432 -4.597 1.00 0.66 H new ATOM 0 HA HIS A 60 8.947 0.798 -4.849 1.00 0.73 H new ATOM 0 HB2 HIS A 60 7.334 -0.764 -6.906 1.00 0.83 H new ATOM 0 HB3 HIS A 60 8.498 0.468 -7.350 1.00 0.83 H new ATOM 0 HD1 HIS A 60 8.419 -3.080 -7.321 1.00 2.94 H new ATOM 0 HD2 HIS A 60 11.075 -0.123 -5.924 1.00 2.25 H new ATOM 0 HE1 HIS A 60 10.748 -4.144 -7.256 1.00 3.69 H new ATOM 930 N THR A 61 5.768 1.390 -5.622 1.00 0.63 N ATOM 931 CA THR A 61 4.812 2.454 -5.876 1.00 0.63 C ATOM 932 C THR A 61 4.793 3.411 -4.677 1.00 0.61 C ATOM 933 O THR A 61 4.911 4.626 -4.846 1.00 0.66 O ATOM 934 CB THR A 61 3.438 1.853 -6.216 1.00 0.65 C ATOM 935 OG1 THR A 61 3.582 0.845 -7.204 1.00 0.91 O ATOM 936 CG2 THR A 61 2.496 2.926 -6.768 1.00 0.80 C ATOM 0 H THR A 61 5.352 0.463 -5.532 1.00 0.63 H new ATOM 0 HA THR A 61 5.105 3.044 -6.745 1.00 0.63 H new ATOM 0 HB THR A 61 3.022 1.435 -5.299 1.00 0.65 H new ATOM 0 HG1 THR A 61 3.956 0.037 -6.795 1.00 0.91 H new ATOM 0 HG21 THR A 61 1.530 2.477 -7.001 1.00 0.80 H new ATOM 0 HG22 THR A 61 2.361 3.710 -6.023 1.00 0.80 H new ATOM 0 HG23 THR A 61 2.925 3.356 -7.673 1.00 0.80 H new ATOM 944 N ILE A 62 4.688 2.861 -3.462 1.00 0.57 N ATOM 945 CA ILE A 62 4.750 3.640 -2.226 1.00 0.59 C ATOM 946 C ILE A 62 6.035 4.485 -2.197 1.00 0.64 C ATOM 947 O ILE A 62 5.964 5.704 -2.039 1.00 0.68 O ATOM 948 CB ILE A 62 4.601 2.717 -0.992 1.00 0.57 C ATOM 949 CG1 ILE A 62 3.133 2.379 -0.685 1.00 0.63 C ATOM 950 CG2 ILE A 62 5.137 3.379 0.286 1.00 0.62 C ATOM 951 CD1 ILE A 62 2.578 1.306 -1.615 1.00 1.35 C ATOM 0 H ILE A 62 4.557 1.861 -3.311 1.00 0.57 H new ATOM 0 HA ILE A 62 3.912 4.337 -2.191 1.00 0.59 H new ATOM 0 HB ILE A 62 5.166 1.822 -1.252 1.00 0.57 H new ATOM 0 HG12 ILE A 62 3.049 2.040 0.348 1.00 0.63 H new ATOM 0 HG13 ILE A 62 2.529 3.282 -0.774 1.00 0.63 H new ATOM 0 HG21 ILE A 62 5.013 2.698 1.128 1.00 0.62 H new ATOM 0 HG22 ILE A 62 6.194 3.611 0.159 1.00 0.62 H new ATOM 0 HG23 ILE A 62 4.584 4.298 0.479 1.00 0.62 H new ATOM 0 HD11 ILE A 62 1.539 1.103 -1.357 1.00 1.35 H new ATOM 0 HD12 ILE A 62 2.635 1.654 -2.646 1.00 1.35 H new ATOM 0 HD13 ILE A 62 3.163 0.393 -1.507 1.00 1.35 H new ATOM 963 N GLU A 63 7.197 3.841 -2.340 1.00 0.70 N ATOM 964 CA GLU A 63 8.499 4.495 -2.348 1.00 0.82 C ATOM 965 C GLU A 63 8.516 5.621 -3.388 1.00 0.81 C ATOM 966 O GLU A 63 8.841 6.765 -3.076 1.00 0.87 O ATOM 967 CB GLU A 63 9.594 3.457 -2.648 1.00 0.90 C ATOM 968 CG GLU A 63 9.795 2.435 -1.513 1.00 1.18 C ATOM 969 CD GLU A 63 10.762 1.319 -1.901 1.00 1.16 C ATOM 970 OE1 GLU A 63 11.327 1.373 -3.014 1.00 1.53 O ATOM 971 OE2 GLU A 63 10.931 0.370 -1.104 1.00 2.27 O ATOM 0 H GLU A 63 7.255 2.829 -2.456 1.00 0.70 H new ATOM 0 HA GLU A 63 8.692 4.934 -1.369 1.00 0.82 H new ATOM 0 HB2 GLU A 63 9.339 2.925 -3.565 1.00 0.90 H new ATOM 0 HB3 GLU A 63 10.535 3.975 -2.831 1.00 0.90 H new ATOM 0 HG2 GLU A 63 10.172 2.948 -0.628 1.00 1.18 H new ATOM 0 HG3 GLU A 63 8.832 2.001 -1.244 1.00 1.18 H new ATOM 978 N SER A 64 8.155 5.276 -4.626 1.00 0.80 N ATOM 979 CA SER A 64 8.168 6.166 -5.779 1.00 0.83 C ATOM 980 C SER A 64 7.349 7.432 -5.518 1.00 0.84 C ATOM 981 O SER A 64 7.763 8.514 -5.924 1.00 1.05 O ATOM 982 CB SER A 64 7.667 5.407 -7.015 1.00 0.85 C ATOM 983 OG SER A 64 7.722 6.208 -8.179 1.00 1.18 O ATOM 0 H SER A 64 7.835 4.335 -4.857 1.00 0.80 H new ATOM 0 HA SER A 64 9.191 6.493 -5.963 1.00 0.83 H new ATOM 0 HB2 SER A 64 8.270 4.511 -7.161 1.00 0.85 H new ATOM 0 HB3 SER A 64 6.642 5.077 -6.848 1.00 0.85 H new ATOM 0 HG SER A 64 7.397 5.692 -8.947 1.00 1.18 H new ATOM 989 N LEU A 65 6.190 7.305 -4.859 1.00 0.71 N ATOM 990 CA LEU A 65 5.356 8.460 -4.547 1.00 0.69 C ATOM 991 C LEU A 65 6.102 9.475 -3.670 1.00 0.70 C ATOM 992 O LEU A 65 6.611 10.469 -4.181 1.00 0.96 O ATOM 993 CB LEU A 65 4.032 8.009 -3.913 1.00 0.74 C ATOM 994 CG LEU A 65 3.053 7.408 -4.931 1.00 0.90 C ATOM 995 CD1 LEU A 65 1.989 6.582 -4.198 1.00 2.25 C ATOM 996 CD2 LEU A 65 2.363 8.514 -5.740 1.00 1.37 C ATOM 0 H LEU A 65 5.814 6.414 -4.535 1.00 0.71 H new ATOM 0 HA LEU A 65 5.119 8.973 -5.479 1.00 0.69 H new ATOM 0 HB2 LEU A 65 4.240 7.271 -3.138 1.00 0.74 H new ATOM 0 HB3 LEU A 65 3.561 8.862 -3.424 1.00 0.74 H new ATOM 0 HG LEU A 65 3.615 6.770 -5.613 1.00 0.90 H new ATOM 0 HD11 LEU A 65 1.295 6.157 -4.923 1.00 2.25 H new ATOM 0 HD12 LEU A 65 2.472 5.778 -3.642 1.00 2.25 H new ATOM 0 HD13 LEU A 65 1.443 7.224 -3.507 1.00 2.25 H new ATOM 0 HD21 LEU A 65 1.674 8.065 -6.455 1.00 1.37 H new ATOM 0 HD22 LEU A 65 1.811 9.168 -5.065 1.00 1.37 H new ATOM 0 HD23 LEU A 65 3.114 9.096 -6.275 1.00 1.37 H new ATOM 1008 N GLY A 66 6.085 9.312 -2.343 1.00 0.63 N ATOM 1009 CA GLY A 66 6.839 10.208 -1.472 1.00 0.71 C ATOM 1010 C GLY A 66 7.083 9.628 -0.084 1.00 0.70 C ATOM 1011 O GLY A 66 7.061 10.386 0.884 1.00 0.96 O ATOM 0 H GLY A 66 5.566 8.580 -1.859 1.00 0.63 H new ATOM 0 HA2 GLY A 66 7.798 10.436 -1.938 1.00 0.71 H new ATOM 0 HA3 GLY A 66 6.300 11.150 -1.376 1.00 0.71 H new ATOM 1015 N PHE A 67 7.243 8.306 0.041 1.00 0.65 N ATOM 1016 CA PHE A 67 7.008 7.638 1.317 1.00 0.60 C ATOM 1017 C PHE A 67 8.122 6.665 1.697 1.00 0.86 C ATOM 1018 O PHE A 67 8.919 6.241 0.865 1.00 1.14 O ATOM 1019 CB PHE A 67 5.655 6.921 1.248 1.00 0.60 C ATOM 1020 CG PHE A 67 4.486 7.841 0.944 1.00 0.62 C ATOM 1021 CD1 PHE A 67 4.252 8.959 1.764 1.00 2.10 C ATOM 1022 CD2 PHE A 67 3.730 7.668 -0.230 1.00 2.02 C ATOM 1023 CE1 PHE A 67 3.331 9.944 1.373 1.00 2.07 C ATOM 1024 CE2 PHE A 67 2.798 8.649 -0.615 1.00 2.08 C ATOM 1025 CZ PHE A 67 2.607 9.792 0.179 1.00 0.69 C ATOM 0 H PHE A 67 7.531 7.688 -0.718 1.00 0.65 H new ATOM 0 HA PHE A 67 6.999 8.395 2.101 1.00 0.60 H new ATOM 0 HB2 PHE A 67 5.704 6.147 0.482 1.00 0.60 H new ATOM 0 HB3 PHE A 67 5.472 6.419 2.198 1.00 0.60 H new ATOM 0 HD1 PHE A 67 4.783 9.061 2.699 1.00 2.10 H new ATOM 0 HD2 PHE A 67 3.865 6.783 -0.835 1.00 2.02 H new ATOM 0 HE1 PHE A 67 3.179 10.818 1.990 1.00 2.07 H new ATOM 0 HE2 PHE A 67 2.228 8.523 -1.524 1.00 2.08 H new ATOM 0 HZ PHE A 67 1.905 10.553 -0.128 1.00 0.69 H new ATOM 1035 N GLU A 68 8.127 6.307 2.982 1.00 0.93 N ATOM 1036 CA GLU A 68 8.938 5.271 3.604 1.00 1.23 C ATOM 1037 C GLU A 68 8.031 4.037 3.669 1.00 0.99 C ATOM 1038 O GLU A 68 6.818 4.194 3.802 1.00 0.85 O ATOM 1039 CB GLU A 68 9.406 5.813 4.972 1.00 1.54 C ATOM 1040 CG GLU A 68 9.745 4.779 6.056 1.00 2.49 C ATOM 1041 CD GLU A 68 10.170 5.467 7.355 1.00 2.84 C ATOM 1042 OE1 GLU A 68 9.272 5.781 8.174 1.00 3.54 O ATOM 1043 OE2 GLU A 68 11.387 5.684 7.511 1.00 3.27 O ATOM 0 H GLU A 68 7.520 6.769 3.659 1.00 0.93 H new ATOM 0 HA GLU A 68 9.845 4.994 3.067 1.00 1.23 H new ATOM 0 HB2 GLU A 68 10.288 6.431 4.807 1.00 1.54 H new ATOM 0 HB3 GLU A 68 8.626 6.468 5.361 1.00 1.54 H new ATOM 0 HG2 GLU A 68 8.878 4.145 6.243 1.00 2.49 H new ATOM 0 HG3 GLU A 68 10.546 4.129 5.706 1.00 2.49 H new ATOM 1050 N ALA A 69 8.576 2.829 3.502 1.00 1.13 N ATOM 1051 CA ALA A 69 7.785 1.619 3.302 1.00 0.96 C ATOM 1052 C ALA A 69 8.346 0.448 4.103 1.00 0.78 C ATOM 1053 O ALA A 69 9.559 0.253 4.146 1.00 0.99 O ATOM 1054 CB ALA A 69 7.791 1.258 1.816 1.00 1.74 C ATOM 0 H ALA A 69 9.583 2.666 3.502 1.00 1.13 H new ATOM 0 HA ALA A 69 6.769 1.813 3.646 1.00 0.96 H new ATOM 0 HB1 ALA A 69 7.202 0.355 1.659 1.00 1.74 H new ATOM 0 HB2 ALA A 69 7.360 2.077 1.241 1.00 1.74 H new ATOM 0 HB3 ALA A 69 8.816 1.084 1.488 1.00 1.74 H new ATOM 1060 N SER A 70 7.464 -0.363 4.689 1.00 0.71 N ATOM 1061 CA SER A 70 7.790 -1.673 5.228 1.00 0.85 C ATOM 1062 C SER A 70 6.514 -2.519 5.249 1.00 1.07 C ATOM 1063 O SER A 70 5.434 -2.021 4.939 1.00 1.88 O ATOM 1064 CB SER A 70 8.425 -1.525 6.619 1.00 0.98 C ATOM 1065 OG SER A 70 7.562 -0.822 7.491 1.00 2.41 O ATOM 0 H SER A 70 6.481 -0.116 4.802 1.00 0.71 H new ATOM 0 HA SER A 70 8.525 -2.180 4.603 1.00 0.85 H new ATOM 0 HB2 SER A 70 8.643 -2.510 7.031 1.00 0.98 H new ATOM 0 HB3 SER A 70 9.375 -0.997 6.536 1.00 0.98 H new ATOM 0 HG SER A 70 7.983 -0.740 8.372 1.00 2.41 H new ATOM 1071 N LEU A 71 6.629 -3.791 5.626 1.00 0.90 N ATOM 1072 CA LEU A 71 5.526 -4.599 6.125 1.00 1.11 C ATOM 1073 C LEU A 71 5.843 -4.849 7.596 1.00 1.07 C ATOM 1074 O LEU A 71 7.018 -4.843 7.964 1.00 1.54 O ATOM 1075 CB LEU A 71 5.383 -5.913 5.338 1.00 1.49 C ATOM 1076 CG LEU A 71 6.672 -6.749 5.204 1.00 1.50 C ATOM 1077 CD1 LEU A 71 6.318 -8.242 5.177 1.00 2.45 C ATOM 1078 CD2 LEU A 71 7.438 -6.407 3.918 1.00 1.98 C ATOM 0 H LEU A 71 7.514 -4.297 5.591 1.00 0.90 H new ATOM 0 HA LEU A 71 4.569 -4.091 6.004 1.00 1.11 H new ATOM 0 HB2 LEU A 71 4.622 -6.525 5.822 1.00 1.49 H new ATOM 0 HB3 LEU A 71 5.016 -5.680 4.338 1.00 1.49 H new ATOM 0 HG LEU A 71 7.305 -6.517 6.061 1.00 1.50 H new ATOM 0 HD11 LEU A 71 7.230 -8.831 5.082 1.00 2.45 H new ATOM 0 HD12 LEU A 71 5.807 -8.511 6.101 1.00 2.45 H new ATOM 0 HD13 LEU A 71 5.665 -8.446 4.328 1.00 2.45 H new ATOM 0 HD21 LEU A 71 8.340 -7.016 3.859 1.00 1.98 H new ATOM 0 HD22 LEU A 71 6.806 -6.610 3.053 1.00 1.98 H new ATOM 0 HD23 LEU A 71 7.712 -5.352 3.928 1.00 1.98 H new