USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 535 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 25 SER OG : rot 130:sc= 0 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -178:sc= 2.18 (180deg=1.06) USER MOD Set 1.3: A 29 HIS : no HE2:sc= 0.75 K(o=4.2,f=-7.9!) USER MOD Set 1.4: A 61 THR OG1 : rot 71:sc= 1.24 USER MOD Set 2.1: A 17 SER OG : rot 67:sc= 1.32 USER MOD Set 2.2: A 20 HIS : no HE2:sc= -0.489 K(o=0.83,f=-2.1) USER MOD Single : A 13 MET CE :methyl -177:sc= -0.535 (180deg=-0.608) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.41 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 85:sc= 0.0852 USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00486) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -76:sc= 0.432 USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 CYS SG : rot 23:sc= -0.335 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -32:sc= 0.684 USER MOD Single : A 42 ASN : amide:sc= 0.493 K(o=0.49,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.11) USER MOD Single : A 45 HIS : no HE2:sc= -1.65 K(o=-1.7,f=-4.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 173:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 135:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 8.937 -5.701 2.817 1.00 1.20 N ATOM 47 CA VAL A 5 8.225 -4.468 3.102 1.00 1.09 C ATOM 48 C VAL A 5 8.318 -3.596 1.857 1.00 1.06 C ATOM 49 O VAL A 5 9.196 -3.812 1.023 1.00 1.85 O ATOM 50 CB VAL A 5 8.711 -3.772 4.391 1.00 1.22 C ATOM 51 CG1 VAL A 5 9.059 -4.769 5.504 1.00 2.43 C ATOM 52 CG2 VAL A 5 9.888 -2.824 4.153 1.00 1.89 C ATOM 0 HA VAL A 5 7.178 -4.679 3.318 1.00 1.09 H new ATOM 0 HB VAL A 5 7.863 -3.173 4.721 1.00 1.22 H new ATOM 0 HG11 VAL A 5 9.395 -4.226 6.387 1.00 2.43 H new ATOM 0 HG12 VAL A 5 8.176 -5.358 5.754 1.00 2.43 H new ATOM 0 HG13 VAL A 5 9.853 -5.433 5.163 1.00 2.43 H new ATOM 0 HG21 VAL A 5 10.183 -2.366 5.097 1.00 1.89 H new ATOM 0 HG22 VAL A 5 10.729 -3.384 3.743 1.00 1.89 H new ATOM 0 HG23 VAL A 5 9.592 -2.046 3.449 1.00 1.89 H new ATOM 62 N LEU A 6 7.378 -2.665 1.709 1.00 0.72 N ATOM 63 CA LEU A 6 7.210 -1.857 0.521 1.00 0.84 C ATOM 64 C LEU A 6 6.672 -0.500 0.968 1.00 0.76 C ATOM 65 O LEU A 6 5.555 -0.401 1.471 1.00 1.07 O ATOM 66 CB LEU A 6 6.273 -2.601 -0.440 1.00 1.21 C ATOM 67 CG LEU A 6 5.948 -1.852 -1.735 1.00 1.69 C ATOM 68 CD1 LEU A 6 7.211 -1.550 -2.549 1.00 1.64 C ATOM 69 CD2 LEU A 6 5.008 -2.728 -2.573 1.00 2.67 C ATOM 0 H LEU A 6 6.697 -2.452 2.438 1.00 0.72 H new ATOM 0 HA LEU A 6 8.143 -1.687 -0.016 1.00 0.84 H new ATOM 0 HB2 LEU A 6 6.725 -3.559 -0.696 1.00 1.21 H new ATOM 0 HB3 LEU A 6 5.340 -2.818 0.081 1.00 1.21 H new ATOM 0 HG LEU A 6 5.481 -0.901 -1.480 1.00 1.69 H new ATOM 0 HD11 LEU A 6 6.938 -1.018 -3.460 1.00 1.64 H new ATOM 0 HD12 LEU A 6 7.887 -0.933 -1.957 1.00 1.64 H new ATOM 0 HD13 LEU A 6 7.708 -2.484 -2.810 1.00 1.64 H new ATOM 0 HD21 LEU A 6 4.763 -2.213 -3.502 1.00 2.67 H new ATOM 0 HD22 LEU A 6 5.499 -3.674 -2.801 1.00 2.67 H new ATOM 0 HD23 LEU A 6 4.093 -2.920 -2.012 1.00 2.67 H new ATOM 81 N GLU A 7 7.503 0.530 0.833 1.00 0.59 N ATOM 82 CA GLU A 7 7.322 1.864 1.370 1.00 1.01 C ATOM 83 C GLU A 7 6.814 2.787 0.269 1.00 1.34 C ATOM 84 O GLU A 7 7.359 3.876 0.067 1.00 2.50 O ATOM 85 CB GLU A 7 8.680 2.373 1.876 1.00 1.26 C ATOM 86 CG GLU A 7 9.499 1.343 2.663 1.00 1.75 C ATOM 87 CD GLU A 7 10.439 0.491 1.810 1.00 3.83 C ATOM 88 OE1 GLU A 7 10.104 0.275 0.625 1.00 5.05 O ATOM 89 OE2 GLU A 7 11.514 0.116 2.326 1.00 4.98 O ATOM 0 H GLU A 7 8.375 0.443 0.311 1.00 0.59 H new ATOM 0 HA GLU A 7 6.600 1.846 2.186 1.00 1.01 H new ATOM 0 HB2 GLU A 7 9.268 2.708 1.022 1.00 1.26 H new ATOM 0 HB3 GLU A 7 8.513 3.244 2.509 1.00 1.26 H new ATOM 0 HG2 GLU A 7 10.087 1.866 3.417 1.00 1.75 H new ATOM 0 HG3 GLU A 7 8.814 0.683 3.195 1.00 1.75 H new ATOM 96 N LEU A 8 5.821 2.345 -0.495 1.00 0.88 N ATOM 97 CA LEU A 8 5.498 3.010 -1.744 1.00 0.93 C ATOM 98 C LEU A 8 4.878 4.387 -1.462 1.00 0.88 C ATOM 99 O LEU A 8 4.354 4.608 -0.367 1.00 1.10 O ATOM 100 CB LEU A 8 4.657 2.080 -2.647 1.00 0.97 C ATOM 101 CG LEU A 8 3.300 1.647 -2.059 1.00 0.72 C ATOM 102 CD1 LEU A 8 2.242 2.735 -2.246 1.00 1.75 C ATOM 103 CD2 LEU A 8 2.799 0.386 -2.771 1.00 1.29 C ATOM 0 H LEU A 8 5.235 1.540 -0.273 1.00 0.88 H new ATOM 0 HA LEU A 8 6.402 3.214 -2.317 1.00 0.93 H new ATOM 0 HB2 LEU A 8 4.479 2.585 -3.596 1.00 0.97 H new ATOM 0 HB3 LEU A 8 5.242 1.187 -2.866 1.00 0.97 H new ATOM 0 HG LEU A 8 3.452 1.461 -0.996 1.00 0.72 H new ATOM 0 HD11 LEU A 8 1.296 2.400 -1.821 1.00 1.75 H new ATOM 0 HD12 LEU A 8 2.564 3.646 -1.741 1.00 1.75 H new ATOM 0 HD13 LEU A 8 2.111 2.936 -3.309 1.00 1.75 H new ATOM 0 HD21 LEU A 8 1.839 0.087 -2.349 1.00 1.29 H new ATOM 0 HD22 LEU A 8 2.679 0.592 -3.835 1.00 1.29 H new ATOM 0 HD23 LEU A 8 3.521 -0.419 -2.636 1.00 1.29 H new ATOM 115 N VAL A 9 4.954 5.327 -2.413 1.00 0.73 N ATOM 116 CA VAL A 9 4.304 6.629 -2.276 1.00 0.77 C ATOM 117 C VAL A 9 2.975 6.567 -3.021 1.00 0.73 C ATOM 118 O VAL A 9 2.956 6.160 -4.175 1.00 0.76 O ATOM 119 CB VAL A 9 5.230 7.752 -2.786 1.00 0.85 C ATOM 120 CG1 VAL A 9 4.496 9.030 -3.221 1.00 0.95 C ATOM 121 CG2 VAL A 9 6.229 8.117 -1.680 1.00 1.00 C ATOM 0 H VAL A 9 5.463 5.205 -3.289 1.00 0.73 H new ATOM 0 HA VAL A 9 4.105 6.862 -1.230 1.00 0.77 H new ATOM 0 HB VAL A 9 5.724 7.357 -3.674 1.00 0.85 H new ATOM 0 HG11 VAL A 9 5.222 9.767 -3.565 1.00 0.95 H new ATOM 0 HG12 VAL A 9 3.805 8.795 -4.031 1.00 0.95 H new ATOM 0 HG13 VAL A 9 3.940 9.436 -2.376 1.00 0.95 H new ATOM 0 HG21 VAL A 9 6.888 8.911 -2.032 1.00 1.00 H new ATOM 0 HG22 VAL A 9 5.687 8.460 -0.799 1.00 1.00 H new ATOM 0 HG23 VAL A 9 6.823 7.240 -1.422 1.00 1.00 H new ATOM 131 N VAL A 10 1.882 6.963 -2.364 1.00 0.78 N ATOM 132 CA VAL A 10 0.556 7.133 -2.947 1.00 0.76 C ATOM 133 C VAL A 10 0.116 8.556 -2.617 1.00 1.08 C ATOM 134 O VAL A 10 0.053 8.903 -1.440 1.00 1.63 O ATOM 135 CB VAL A 10 -0.488 6.164 -2.357 1.00 0.69 C ATOM 136 CG1 VAL A 10 -0.820 5.009 -3.297 1.00 1.20 C ATOM 137 CG2 VAL A 10 -0.079 5.560 -1.017 1.00 1.25 C ATOM 0 H VAL A 10 1.902 7.183 -1.368 1.00 0.78 H new ATOM 0 HA VAL A 10 0.616 6.932 -4.017 1.00 0.76 H new ATOM 0 HB VAL A 10 -1.364 6.796 -2.212 1.00 0.69 H new ATOM 0 HG11 VAL A 10 -1.560 4.360 -2.829 1.00 1.20 H new ATOM 0 HG12 VAL A 10 -1.222 5.403 -4.230 1.00 1.20 H new ATOM 0 HG13 VAL A 10 0.085 4.437 -3.505 1.00 1.20 H new ATOM 0 HG21 VAL A 10 -0.863 4.890 -0.666 1.00 1.25 H new ATOM 0 HG22 VAL A 10 0.849 5.001 -1.138 1.00 1.25 H new ATOM 0 HG23 VAL A 10 0.070 6.357 -0.289 1.00 1.25 H new ATOM 147 N ARG A 11 -0.256 9.352 -3.621 1.00 0.99 N ATOM 148 CA ARG A 11 -1.122 10.506 -3.407 1.00 1.19 C ATOM 149 C ARG A 11 -2.519 10.159 -3.922 1.00 0.94 C ATOM 150 O ARG A 11 -2.703 9.130 -4.579 1.00 0.95 O ATOM 151 CB ARG A 11 -0.531 11.781 -4.032 1.00 1.84 C ATOM 152 CG ARG A 11 -0.269 11.650 -5.533 1.00 1.17 C ATOM 153 CD ARG A 11 0.178 12.985 -6.138 1.00 1.82 C ATOM 154 NE ARG A 11 0.496 12.786 -7.557 1.00 2.61 N ATOM 155 CZ ARG A 11 1.170 13.599 -8.377 1.00 3.39 C ATOM 156 NH1 ARG A 11 1.456 14.852 -8.006 1.00 3.93 N ATOM 157 NH2 ARG A 11 1.546 13.121 -9.563 1.00 4.48 N ATOM 0 H ARG A 11 0.031 9.216 -4.590 1.00 0.99 H new ATOM 0 HA ARG A 11 -1.199 10.732 -2.343 1.00 1.19 H new ATOM 0 HB2 ARG A 11 -1.214 12.613 -3.860 1.00 1.84 H new ATOM 0 HB3 ARG A 11 0.403 12.026 -3.527 1.00 1.84 H new ATOM 0 HG2 ARG A 11 0.498 10.895 -5.706 1.00 1.17 H new ATOM 0 HG3 ARG A 11 -1.174 11.306 -6.034 1.00 1.17 H new ATOM 0 HD2 ARG A 11 -0.611 13.730 -6.030 1.00 1.82 H new ATOM 0 HD3 ARG A 11 1.050 13.365 -5.607 1.00 1.82 H new ATOM 0 HE ARG A 11 0.160 11.916 -7.970 1.00 2.61 H new ATOM 0 HH11 ARG A 11 1.160 15.193 -7.092 1.00 3.93 H new ATOM 0 HH12 ARG A 11 1.971 15.466 -8.637 1.00 3.93 H new ATOM 0 HH21 ARG A 11 1.318 12.161 -9.821 1.00 4.48 H new ATOM 0 HH22 ARG A 11 2.062 13.715 -10.212 1.00 4.48 H new ATOM 171 N GLY A 12 -3.498 11.004 -3.582 1.00 0.96 N ATOM 172 CA GLY A 12 -4.914 10.792 -3.860 1.00 0.94 C ATOM 173 C GLY A 12 -5.714 10.525 -2.580 1.00 0.80 C ATOM 174 O GLY A 12 -6.941 10.540 -2.611 1.00 0.91 O ATOM 0 H GLY A 12 -3.317 11.879 -3.091 1.00 0.96 H new ATOM 0 HA2 GLY A 12 -5.320 11.668 -4.366 1.00 0.94 H new ATOM 0 HA3 GLY A 12 -5.028 9.949 -4.542 1.00 0.94 H new ATOM 178 N MET A 13 -5.035 10.304 -1.445 1.00 0.85 N ATOM 179 CA MET A 13 -5.672 10.186 -0.138 1.00 0.84 C ATOM 180 C MET A 13 -6.257 11.539 0.290 1.00 1.06 C ATOM 181 O MET A 13 -5.682 12.234 1.124 1.00 1.85 O ATOM 182 CB MET A 13 -4.657 9.673 0.895 1.00 0.98 C ATOM 183 CG MET A 13 -4.338 8.180 0.757 1.00 0.95 C ATOM 184 SD MET A 13 -3.076 7.574 1.906 1.00 1.63 S ATOM 185 CE MET A 13 -1.602 8.121 1.033 1.00 1.02 C ATOM 0 H MET A 13 -4.021 10.202 -1.415 1.00 0.85 H new ATOM 0 HA MET A 13 -6.490 9.468 -0.201 1.00 0.84 H new ATOM 0 HB2 MET A 13 -3.733 10.243 0.798 1.00 0.98 H new ATOM 0 HB3 MET A 13 -5.044 9.862 1.896 1.00 0.98 H new ATOM 0 HG2 MET A 13 -5.254 7.610 0.909 1.00 0.95 H new ATOM 0 HG3 MET A 13 -4.007 7.985 -0.263 1.00 0.95 H new ATOM 0 HE1 MET A 13 -0.715 7.786 1.571 1.00 1.02 H new ATOM 0 HE2 MET A 13 -1.597 7.700 0.028 1.00 1.02 H new ATOM 0 HE3 MET A 13 -1.599 9.209 0.971 1.00 1.02 H new ATOM 195 N THR A 14 -7.391 11.916 -0.295 1.00 1.00 N ATOM 196 CA THR A 14 -8.077 13.167 -0.020 1.00 1.32 C ATOM 197 C THR A 14 -8.926 13.015 1.244 1.00 1.47 C ATOM 198 O THR A 14 -8.590 13.525 2.309 1.00 2.12 O ATOM 199 CB THR A 14 -8.935 13.512 -1.248 1.00 1.68 C ATOM 200 OG1 THR A 14 -9.697 12.369 -1.610 1.00 3.35 O ATOM 201 CG2 THR A 14 -8.055 13.924 -2.431 1.00 2.62 C ATOM 0 H THR A 14 -7.867 11.342 -0.991 1.00 1.00 H new ATOM 0 HA THR A 14 -7.371 13.978 0.159 1.00 1.32 H new ATOM 0 HB THR A 14 -9.590 14.346 -0.997 1.00 1.68 H new ATOM 0 HG1 THR A 14 -10.250 12.578 -2.392 1.00 3.35 H new ATOM 0 HG21 THR A 14 -8.685 14.163 -3.287 1.00 2.62 H new ATOM 0 HG22 THR A 14 -7.466 14.800 -2.159 1.00 2.62 H new ATOM 0 HG23 THR A 14 -7.387 13.103 -2.690 1.00 2.62 H new ATOM 209 N CYS A 15 -10.051 12.315 1.110 1.00 1.99 N ATOM 210 CA CYS A 15 -10.986 12.077 2.202 1.00 2.42 C ATOM 211 C CYS A 15 -10.368 11.064 3.158 1.00 2.04 C ATOM 212 O CYS A 15 -9.955 9.998 2.706 1.00 2.62 O ATOM 213 CB CYS A 15 -12.318 11.546 1.661 1.00 3.03 C ATOM 214 SG CYS A 15 -13.221 12.870 0.824 1.00 4.54 S ATOM 0 H CYS A 15 -10.340 11.893 0.228 1.00 1.99 H new ATOM 0 HA CYS A 15 -11.182 13.012 2.726 1.00 2.42 H new ATOM 0 HB2 CYS A 15 -12.136 10.725 0.968 1.00 3.03 H new ATOM 0 HB3 CYS A 15 -12.918 11.146 2.479 1.00 3.03 H new ATOM 0 HG CYS A 15 -14.347 12.407 0.368 1.00 4.54 H new ATOM 220 N ALA A 16 -10.334 11.377 4.462 1.00 1.49 N ATOM 221 CA ALA A 16 -9.717 10.573 5.520 1.00 1.20 C ATOM 222 C ALA A 16 -9.842 9.072 5.290 1.00 0.96 C ATOM 223 O ALA A 16 -8.847 8.351 5.341 1.00 1.76 O ATOM 224 CB ALA A 16 -10.362 10.898 6.867 1.00 1.30 C ATOM 0 H ALA A 16 -10.755 12.235 4.820 1.00 1.49 H new ATOM 0 HA ALA A 16 -8.658 10.829 5.511 1.00 1.20 H new ATOM 0 HB1 ALA A 16 -9.897 10.296 7.648 1.00 1.30 H new ATOM 0 HB2 ALA A 16 -10.221 11.955 7.092 1.00 1.30 H new ATOM 0 HB3 ALA A 16 -11.428 10.675 6.823 1.00 1.30 H new ATOM 230 N SER A 17 -11.079 8.620 5.041 1.00 0.73 N ATOM 231 CA SER A 17 -11.421 7.227 4.797 1.00 0.56 C ATOM 232 C SER A 17 -10.371 6.540 3.925 1.00 0.51 C ATOM 233 O SER A 17 -9.971 5.429 4.241 1.00 0.56 O ATOM 234 CB SER A 17 -12.822 7.126 4.180 1.00 0.96 C ATOM 235 OG SER A 17 -13.198 5.778 3.975 1.00 3.16 O ATOM 0 H SER A 17 -11.889 9.239 5.004 1.00 0.73 H new ATOM 0 HA SER A 17 -11.432 6.703 5.752 1.00 0.56 H new ATOM 0 HB2 SER A 17 -13.546 7.612 4.834 1.00 0.96 H new ATOM 0 HB3 SER A 17 -12.843 7.660 3.230 1.00 0.96 H new ATOM 0 HG SER A 17 -13.305 5.333 4.841 1.00 3.16 H new ATOM 241 N CYS A 18 -9.884 7.207 2.872 1.00 0.55 N ATOM 242 CA CYS A 18 -8.838 6.697 1.986 1.00 0.53 C ATOM 243 C CYS A 18 -7.757 5.924 2.754 1.00 0.46 C ATOM 244 O CYS A 18 -7.400 4.818 2.358 1.00 0.48 O ATOM 245 CB CYS A 18 -8.189 7.828 1.183 1.00 0.59 C ATOM 246 SG CYS A 18 -9.321 8.551 -0.028 1.00 0.80 S ATOM 0 H CYS A 18 -10.215 8.135 2.609 1.00 0.55 H new ATOM 0 HA CYS A 18 -9.326 6.007 1.298 1.00 0.53 H new ATOM 0 HB2 CYS A 18 -7.847 8.605 1.866 1.00 0.59 H new ATOM 0 HB3 CYS A 18 -7.307 7.445 0.669 1.00 0.59 H new ATOM 0 HG CYS A 18 -10.051 9.459 0.548 1.00 0.80 H new ATOM 252 N VAL A 19 -7.276 6.480 3.872 1.00 0.44 N ATOM 253 CA VAL A 19 -6.312 5.838 4.756 1.00 0.42 C ATOM 254 C VAL A 19 -6.783 4.427 5.118 1.00 0.40 C ATOM 255 O VAL A 19 -6.193 3.431 4.689 1.00 0.41 O ATOM 256 CB VAL A 19 -6.083 6.717 6.004 1.00 0.50 C ATOM 257 CG1 VAL A 19 -5.165 6.057 7.042 1.00 0.60 C ATOM 258 CG2 VAL A 19 -5.480 8.070 5.607 1.00 0.60 C ATOM 0 H VAL A 19 -7.556 7.408 4.189 1.00 0.44 H new ATOM 0 HA VAL A 19 -5.355 5.735 4.245 1.00 0.42 H new ATOM 0 HB VAL A 19 -7.064 6.853 6.459 1.00 0.50 H new ATOM 0 HG11 VAL A 19 -5.043 6.724 7.896 1.00 0.60 H new ATOM 0 HG12 VAL A 19 -5.608 5.119 7.375 1.00 0.60 H new ATOM 0 HG13 VAL A 19 -4.191 5.859 6.593 1.00 0.60 H new ATOM 0 HG21 VAL A 19 -5.326 8.676 6.500 1.00 0.60 H new ATOM 0 HG22 VAL A 19 -4.524 7.910 5.108 1.00 0.60 H new ATOM 0 HG23 VAL A 19 -6.161 8.587 4.931 1.00 0.60 H new ATOM 268 N HIS A 20 -7.881 4.342 5.878 1.00 0.44 N ATOM 269 CA HIS A 20 -8.410 3.056 6.303 1.00 0.51 C ATOM 270 C HIS A 20 -8.866 2.210 5.118 1.00 0.51 C ATOM 271 O HIS A 20 -8.968 0.996 5.234 1.00 0.61 O ATOM 272 CB HIS A 20 -9.438 3.174 7.436 1.00 0.61 C ATOM 273 CG HIS A 20 -10.832 3.692 7.169 1.00 1.11 C ATOM 274 ND1 HIS A 20 -11.743 3.969 8.158 1.00 2.22 N ATOM 275 CD2 HIS A 20 -11.519 3.742 5.985 1.00 0.80 C ATOM 276 CE1 HIS A 20 -12.920 4.220 7.565 1.00 2.56 C ATOM 277 NE2 HIS A 20 -12.837 4.118 6.234 1.00 1.71 N ATOM 0 H HIS A 20 -8.413 5.148 6.206 1.00 0.44 H new ATOM 0 HA HIS A 20 -7.586 2.502 6.753 1.00 0.51 H new ATOM 0 HB2 HIS A 20 -9.544 2.182 7.876 1.00 0.61 H new ATOM 0 HB3 HIS A 20 -8.999 3.816 8.200 1.00 0.61 H new ATOM 0 HD1 HIS A 20 -11.559 3.982 9.161 1.00 2.22 H new ATOM 0 HD2 HIS A 20 -11.104 3.524 5.012 1.00 0.80 H new ATOM 0 HE1 HIS A 20 -13.825 4.474 8.098 1.00 2.56 H new ATOM 285 N LYS A 21 -9.147 2.838 3.977 1.00 0.51 N ATOM 286 CA LYS A 21 -9.615 2.153 2.790 1.00 0.58 C ATOM 287 C LYS A 21 -8.456 1.308 2.280 1.00 0.59 C ATOM 288 O LYS A 21 -8.615 0.117 2.025 1.00 0.81 O ATOM 289 CB LYS A 21 -10.071 3.157 1.717 1.00 0.60 C ATOM 290 CG LYS A 21 -11.294 2.687 0.920 1.00 0.84 C ATOM 291 CD LYS A 21 -11.020 1.388 0.143 1.00 1.34 C ATOM 292 CE LYS A 21 -12.127 1.069 -0.873 1.00 1.80 C ATOM 293 NZ LYS A 21 -13.452 0.906 -0.237 1.00 3.45 N ATOM 0 H LYS A 21 -9.053 3.847 3.858 1.00 0.51 H new ATOM 0 HA LYS A 21 -10.478 1.529 3.023 1.00 0.58 H new ATOM 0 HB2 LYS A 21 -10.303 4.108 2.196 1.00 0.60 H new ATOM 0 HB3 LYS A 21 -9.246 3.340 1.028 1.00 0.60 H new ATOM 0 HG2 LYS A 21 -12.131 2.531 1.601 1.00 0.84 H new ATOM 0 HG3 LYS A 21 -11.593 3.469 0.222 1.00 0.84 H new ATOM 0 HD2 LYS A 21 -10.066 1.474 -0.378 1.00 1.34 H new ATOM 0 HD3 LYS A 21 -10.926 0.560 0.846 1.00 1.34 H new ATOM 0 HE2 LYS A 21 -12.179 1.869 -1.612 1.00 1.80 H new ATOM 0 HE3 LYS A 21 -11.871 0.155 -1.409 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 -14.157 0.659 -0.961 1.00 3.45 H new ATOM 0 HZ2 LYS A 21 -13.405 0.148 0.474 1.00 3.45 H new ATOM 0 HZ3 LYS A 21 -13.728 1.796 0.224 1.00 3.45 H new ATOM 307 N ILE A 22 -7.287 1.940 2.146 1.00 0.40 N ATOM 308 CA ILE A 22 -6.078 1.293 1.671 1.00 0.37 C ATOM 309 C ILE A 22 -5.732 0.192 2.663 1.00 0.41 C ATOM 310 O ILE A 22 -5.670 -0.982 2.300 1.00 0.48 O ATOM 311 CB ILE A 22 -4.928 2.310 1.523 1.00 0.36 C ATOM 312 CG1 ILE A 22 -5.232 3.345 0.435 1.00 0.35 C ATOM 313 CG2 ILE A 22 -3.659 1.553 1.131 1.00 0.48 C ATOM 314 CD1 ILE A 22 -4.400 4.623 0.560 1.00 0.58 C ATOM 0 H ILE A 22 -7.160 2.927 2.369 1.00 0.40 H new ATOM 0 HA ILE A 22 -6.235 0.865 0.681 1.00 0.37 H new ATOM 0 HB ILE A 22 -4.804 2.832 2.472 1.00 0.36 H new ATOM 0 HG12 ILE A 22 -5.051 2.897 -0.542 1.00 0.35 H new ATOM 0 HG13 ILE A 22 -6.290 3.604 0.476 1.00 0.35 H new ATOM 0 HG21 ILE A 22 -2.834 2.257 1.022 1.00 0.48 H new ATOM 0 HG22 ILE A 22 -3.415 0.826 1.906 1.00 0.48 H new ATOM 0 HG23 ILE A 22 -3.822 1.035 0.186 1.00 0.48 H new ATOM 0 HD11 ILE A 22 -4.667 5.311 -0.242 1.00 0.58 H new ATOM 0 HD12 ILE A 22 -4.599 5.094 1.523 1.00 0.58 H new ATOM 0 HD13 ILE A 22 -3.341 4.376 0.489 1.00 0.58 H new ATOM 326 N GLU A 23 -5.551 0.584 3.924 1.00 0.39 N ATOM 327 CA GLU A 23 -5.233 -0.322 5.014 1.00 0.40 C ATOM 328 C GLU A 23 -6.165 -1.534 5.014 1.00 0.38 C ATOM 329 O GLU A 23 -5.703 -2.663 4.877 1.00 0.41 O ATOM 330 CB GLU A 23 -5.274 0.467 6.331 1.00 0.48 C ATOM 331 CG GLU A 23 -3.852 0.707 6.852 1.00 0.90 C ATOM 332 CD GLU A 23 -3.811 1.936 7.741 1.00 2.08 C ATOM 333 OE1 GLU A 23 -4.529 1.924 8.763 1.00 2.78 O ATOM 334 OE2 GLU A 23 -3.082 2.874 7.353 1.00 3.32 O ATOM 0 H GLU A 23 -5.624 1.559 4.216 1.00 0.39 H new ATOM 0 HA GLU A 23 -4.229 -0.727 4.888 1.00 0.40 H new ATOM 0 HB2 GLU A 23 -5.778 1.421 6.176 1.00 0.48 H new ATOM 0 HB3 GLU A 23 -5.853 -0.082 7.074 1.00 0.48 H new ATOM 0 HG2 GLU A 23 -3.511 -0.165 7.411 1.00 0.90 H new ATOM 0 HG3 GLU A 23 -3.168 0.835 6.013 1.00 0.90 H new ATOM 341 N SER A 24 -7.476 -1.299 5.101 1.00 0.40 N ATOM 342 CA SER A 24 -8.476 -2.362 5.146 1.00 0.50 C ATOM 343 C SER A 24 -8.389 -3.220 3.884 1.00 0.53 C ATOM 344 O SER A 24 -8.419 -4.448 3.936 1.00 0.67 O ATOM 345 CB SER A 24 -9.879 -1.766 5.325 1.00 0.61 C ATOM 346 OG SER A 24 -10.856 -2.781 5.436 1.00 1.56 O ATOM 0 H SER A 24 -7.873 -0.360 5.142 1.00 0.40 H new ATOM 0 HA SER A 24 -8.276 -3.005 6.003 1.00 0.50 H new ATOM 0 HB2 SER A 24 -9.899 -1.139 6.216 1.00 0.61 H new ATOM 0 HB3 SER A 24 -10.114 -1.122 4.477 1.00 0.61 H new ATOM 0 HG SER A 24 -11.740 -2.373 5.551 1.00 1.56 H new ATOM 352 N SER A 25 -8.262 -2.566 2.727 1.00 0.51 N ATOM 353 CA SER A 25 -8.113 -3.261 1.465 1.00 0.62 C ATOM 354 C SER A 25 -6.862 -4.133 1.453 1.00 0.57 C ATOM 355 O SER A 25 -6.849 -5.127 0.737 1.00 0.79 O ATOM 356 CB SER A 25 -8.105 -2.266 0.308 1.00 0.78 C ATOM 357 OG SER A 25 -8.149 -2.952 -0.933 1.00 1.09 O ATOM 0 H SER A 25 -8.261 -1.549 2.648 1.00 0.51 H new ATOM 0 HA SER A 25 -8.969 -3.924 1.340 1.00 0.62 H new ATOM 0 HB2 SER A 25 -8.960 -1.595 0.391 1.00 0.78 H new ATOM 0 HB3 SER A 25 -7.209 -1.648 0.358 1.00 0.78 H new ATOM 0 HG SER A 25 -8.857 -2.571 -1.493 1.00 1.09 H new ATOM 363 N LEU A 26 -5.816 -3.776 2.193 1.00 0.47 N ATOM 364 CA LEU A 26 -4.591 -4.559 2.273 1.00 0.54 C ATOM 365 C LEU A 26 -4.713 -5.700 3.280 1.00 0.51 C ATOM 366 O LEU A 26 -4.349 -6.832 2.953 1.00 0.59 O ATOM 367 CB LEU A 26 -3.395 -3.672 2.582 1.00 0.65 C ATOM 368 CG LEU A 26 -3.041 -2.870 1.327 1.00 0.76 C ATOM 369 CD1 LEU A 26 -2.405 -1.553 1.738 1.00 2.36 C ATOM 370 CD2 LEU A 26 -2.093 -3.624 0.390 1.00 2.09 C ATOM 0 H LEU A 26 -5.797 -2.927 2.758 1.00 0.47 H new ATOM 0 HA LEU A 26 -4.428 -5.011 1.295 1.00 0.54 H new ATOM 0 HB2 LEU A 26 -3.627 -2.999 3.407 1.00 0.65 H new ATOM 0 HB3 LEU A 26 -2.545 -4.279 2.895 1.00 0.65 H new ATOM 0 HG LEU A 26 -3.967 -2.699 0.778 1.00 0.76 H new ATOM 0 HD11 LEU A 26 -2.151 -0.978 0.847 1.00 2.36 H new ATOM 0 HD12 LEU A 26 -3.107 -0.985 2.349 1.00 2.36 H new ATOM 0 HD13 LEU A 26 -1.500 -1.750 2.313 1.00 2.36 H new ATOM 0 HD21 LEU A 26 -1.877 -3.007 -0.482 1.00 2.09 H new ATOM 0 HD22 LEU A 26 -1.164 -3.848 0.915 1.00 2.09 H new ATOM 0 HD23 LEU A 26 -2.562 -4.554 0.069 1.00 2.09 H new ATOM 382 N THR A 27 -5.209 -5.415 4.490 1.00 0.46 N ATOM 383 CA THR A 27 -5.311 -6.354 5.605 1.00 0.55 C ATOM 384 C THR A 27 -6.424 -7.379 5.358 1.00 0.74 C ATOM 385 O THR A 27 -7.394 -7.486 6.106 1.00 1.73 O ATOM 386 CB THR A 27 -5.488 -5.574 6.917 1.00 0.62 C ATOM 387 OG1 THR A 27 -6.546 -4.649 6.793 1.00 0.73 O ATOM 388 CG2 THR A 27 -4.226 -4.790 7.293 1.00 0.68 C ATOM 0 H THR A 27 -5.563 -4.488 4.725 1.00 0.46 H new ATOM 0 HA THR A 27 -4.389 -6.930 5.689 1.00 0.55 H new ATOM 0 HB THR A 27 -5.698 -6.309 7.693 1.00 0.62 H new ATOM 0 HG1 THR A 27 -6.248 -3.880 6.264 1.00 0.73 H new ATOM 0 HG21 THR A 27 -4.396 -4.254 8.227 1.00 0.68 H new ATOM 0 HG22 THR A 27 -3.392 -5.481 7.418 1.00 0.68 H new ATOM 0 HG23 THR A 27 -3.991 -4.077 6.502 1.00 0.68 H new ATOM 396 N LYS A 28 -6.245 -8.156 4.289 1.00 0.90 N ATOM 397 CA LYS A 28 -7.205 -9.090 3.724 1.00 0.87 C ATOM 398 C LYS A 28 -6.562 -10.004 2.676 1.00 0.80 C ATOM 399 O LYS A 28 -6.969 -11.155 2.557 1.00 1.00 O ATOM 400 CB LYS A 28 -8.444 -8.349 3.191 1.00 1.00 C ATOM 401 CG LYS A 28 -8.249 -7.563 1.886 1.00 1.07 C ATOM 402 CD LYS A 28 -8.468 -8.403 0.611 1.00 1.86 C ATOM 403 CE LYS A 28 -9.093 -7.602 -0.545 1.00 1.98 C ATOM 404 NZ LYS A 28 -8.257 -6.471 -0.999 1.00 3.68 N ATOM 0 H LYS A 28 -5.369 -8.145 3.766 1.00 0.90 H new ATOM 0 HA LYS A 28 -7.548 -9.747 4.523 1.00 0.87 H new ATOM 0 HB2 LYS A 28 -9.240 -9.077 3.038 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -8.788 -7.658 3.960 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -8.938 -6.719 1.876 1.00 1.07 H new ATOM 0 HG3 LYS A 28 -7.240 -7.151 1.869 1.00 1.07 H new ATOM 0 HD2 LYS A 28 -7.512 -8.812 0.285 1.00 1.86 H new ATOM 0 HD3 LYS A 28 -9.113 -9.249 0.848 1.00 1.86 H new ATOM 0 HE2 LYS A 28 -9.271 -8.272 -1.386 1.00 1.98 H new ATOM 0 HE3 LYS A 28 -10.064 -7.222 -0.229 1.00 1.98 H new ATOM 0 HZ1 LYS A 28 -8.752 -5.955 -1.755 1.00 3.68 H new ATOM 0 HZ2 LYS A 28 -8.079 -5.829 -0.201 1.00 3.68 H new ATOM 0 HZ3 LYS A 28 -7.352 -6.832 -1.362 1.00 3.68 H new ATOM 418 N HIS A 29 -5.534 -9.552 1.935 1.00 0.74 N ATOM 419 CA HIS A 29 -4.860 -10.365 0.912 1.00 0.88 C ATOM 420 C HIS A 29 -4.094 -11.594 1.447 1.00 1.12 C ATOM 421 O HIS A 29 -3.223 -12.110 0.748 1.00 2.42 O ATOM 422 CB HIS A 29 -3.892 -9.464 0.125 1.00 0.99 C ATOM 423 CG HIS A 29 -4.565 -8.525 -0.836 1.00 0.81 C ATOM 424 ND1 HIS A 29 -4.695 -8.697 -2.196 1.00 1.52 N ATOM 425 CD2 HIS A 29 -5.112 -7.318 -0.518 1.00 0.72 C ATOM 426 CE1 HIS A 29 -5.318 -7.612 -2.683 1.00 1.88 C ATOM 427 NE2 HIS A 29 -5.637 -6.762 -1.691 1.00 1.47 N ATOM 0 H HIS A 29 -5.149 -8.612 2.030 1.00 0.74 H new ATOM 0 HA HIS A 29 -5.651 -10.771 0.282 1.00 0.88 H new ATOM 0 HB2 HIS A 29 -3.301 -8.881 0.831 1.00 0.99 H new ATOM 0 HB3 HIS A 29 -3.196 -10.094 -0.428 1.00 0.99 H new ATOM 0 HD1 HIS A 29 -4.376 -9.502 -2.735 1.00 1.52 H new ATOM 0 HD2 HIS A 29 -5.136 -6.870 0.464 1.00 0.72 H new ATOM 0 HE1 HIS A 29 -5.533 -7.445 -3.728 1.00 1.88 H new ATOM 435 N ARG A 30 -4.386 -12.083 2.656 1.00 1.53 N ATOM 436 CA ARG A 30 -3.614 -13.094 3.370 1.00 1.65 C ATOM 437 C ARG A 30 -2.194 -12.593 3.657 1.00 1.94 C ATOM 438 O ARG A 30 -1.867 -12.300 4.803 1.00 3.68 O ATOM 439 CB ARG A 30 -3.629 -14.445 2.633 1.00 1.76 C ATOM 440 CG ARG A 30 -3.103 -15.578 3.529 1.00 2.72 C ATOM 441 CD ARG A 30 -2.647 -16.780 2.696 1.00 3.24 C ATOM 442 NE ARG A 30 -3.718 -17.279 1.819 1.00 3.18 N ATOM 443 CZ ARG A 30 -3.541 -18.159 0.820 1.00 4.01 C ATOM 444 NH1 ARG A 30 -2.330 -18.685 0.600 1.00 4.73 N ATOM 445 NH2 ARG A 30 -4.575 -18.510 0.047 1.00 4.95 N ATOM 0 H ARG A 30 -5.202 -11.769 3.182 1.00 1.53 H new ATOM 0 HA ARG A 30 -4.092 -13.269 4.334 1.00 1.65 H new ATOM 0 HB2 ARG A 30 -4.645 -14.675 2.312 1.00 1.76 H new ATOM 0 HB3 ARG A 30 -3.018 -14.377 1.733 1.00 1.76 H new ATOM 0 HG2 ARG A 30 -2.270 -15.212 4.130 1.00 2.72 H new ATOM 0 HG3 ARG A 30 -3.884 -15.889 4.222 1.00 2.72 H new ATOM 0 HD2 ARG A 30 -1.785 -16.497 2.091 1.00 3.24 H new ATOM 0 HD3 ARG A 30 -2.321 -17.580 3.361 1.00 3.24 H new ATOM 0 HE ARG A 30 -4.663 -16.931 1.982 1.00 3.18 H new ATOM 0 HH11 ARG A 30 -1.543 -18.417 1.191 1.00 4.73 H new ATOM 0 HH12 ARG A 30 -2.194 -19.353 -0.158 1.00 4.73 H new ATOM 0 HH21 ARG A 30 -5.498 -18.109 0.216 1.00 4.95 H new ATOM 0 HH22 ARG A 30 -4.441 -19.178 -0.712 1.00 4.95 H new ATOM 459 N GLY A 31 -1.351 -12.497 2.628 1.00 0.82 N ATOM 460 CA GLY A 31 0.067 -12.201 2.755 1.00 0.94 C ATOM 461 C GLY A 31 0.344 -10.715 2.959 1.00 0.91 C ATOM 462 O GLY A 31 1.188 -10.147 2.265 1.00 1.78 O ATOM 0 H GLY A 31 -1.648 -12.627 1.661 1.00 0.82 H new ATOM 0 HA2 GLY A 31 0.477 -12.761 3.596 1.00 0.94 H new ATOM 0 HA3 GLY A 31 0.587 -12.543 1.860 1.00 0.94 H new ATOM 466 N ILE A 32 -0.365 -10.093 3.909 1.00 1.15 N ATOM 467 CA ILE A 32 0.043 -8.844 4.529 1.00 0.92 C ATOM 468 C ILE A 32 0.551 -9.243 5.911 1.00 1.01 C ATOM 469 O ILE A 32 -0.088 -10.028 6.607 1.00 1.56 O ATOM 470 CB ILE A 32 -1.105 -7.801 4.573 1.00 1.40 C ATOM 471 CG1 ILE A 32 -0.717 -6.482 3.893 1.00 0.77 C ATOM 472 CG2 ILE A 32 -1.539 -7.437 6.003 1.00 2.69 C ATOM 473 CD1 ILE A 32 -0.607 -6.627 2.376 1.00 2.54 C ATOM 0 H ILE A 32 -1.249 -10.455 4.268 1.00 1.15 H new ATOM 0 HA ILE A 32 0.819 -8.337 3.956 1.00 0.92 H new ATOM 0 HB ILE A 32 -1.924 -8.290 4.045 1.00 1.40 H new ATOM 0 HG12 ILE A 32 -1.459 -5.720 4.131 1.00 0.77 H new ATOM 0 HG13 ILE A 32 0.236 -6.135 4.293 1.00 0.77 H new ATOM 0 HG21 ILE A 32 -2.344 -6.704 5.963 1.00 2.69 H new ATOM 0 HG22 ILE A 32 -1.889 -8.333 6.516 1.00 2.69 H new ATOM 0 HG23 ILE A 32 -0.692 -7.016 6.544 1.00 2.69 H new ATOM 0 HD11 ILE A 32 -0.330 -5.668 1.938 1.00 2.54 H new ATOM 0 HD12 ILE A 32 0.155 -7.369 2.136 1.00 2.54 H new ATOM 0 HD13 ILE A 32 -1.567 -6.948 1.971 1.00 2.54 H new ATOM 485 N LEU A 33 1.690 -8.686 6.302 1.00 0.85 N ATOM 486 CA LEU A 33 2.257 -8.836 7.631 1.00 1.35 C ATOM 487 C LEU A 33 1.834 -7.641 8.489 1.00 1.40 C ATOM 488 O LEU A 33 1.553 -7.802 9.673 1.00 1.90 O ATOM 489 CB LEU A 33 3.784 -8.968 7.528 1.00 1.70 C ATOM 490 CG LEU A 33 4.249 -10.103 6.596 1.00 2.16 C ATOM 491 CD1 LEU A 33 5.773 -10.046 6.435 1.00 3.63 C ATOM 492 CD2 LEU A 33 3.842 -11.482 7.130 1.00 2.30 C ATOM 0 H LEU A 33 2.257 -8.103 5.686 1.00 0.85 H new ATOM 0 HA LEU A 33 1.885 -9.742 8.109 1.00 1.35 H new ATOM 0 HB2 LEU A 33 4.197 -8.025 7.171 1.00 1.70 H new ATOM 0 HB3 LEU A 33 4.193 -9.138 8.524 1.00 1.70 H new ATOM 0 HG LEU A 33 3.763 -9.961 5.631 1.00 2.16 H new ATOM 0 HD11 LEU A 33 6.099 -10.850 5.775 1.00 3.63 H new ATOM 0 HD12 LEU A 33 6.058 -9.086 6.005 1.00 3.63 H new ATOM 0 HD13 LEU A 33 6.246 -10.162 7.410 1.00 3.63 H new ATOM 0 HD21 LEU A 33 4.189 -12.255 6.444 1.00 2.30 H new ATOM 0 HD22 LEU A 33 4.291 -11.639 8.111 1.00 2.30 H new ATOM 0 HD23 LEU A 33 2.757 -11.533 7.216 1.00 2.30 H new ATOM 504 N TYR A 34 1.776 -6.441 7.894 1.00 0.93 N ATOM 505 CA TYR A 34 1.353 -5.210 8.552 1.00 0.90 C ATOM 506 C TYR A 34 1.154 -4.141 7.476 1.00 0.68 C ATOM 507 O TYR A 34 1.728 -4.265 6.396 1.00 0.61 O ATOM 508 CB TYR A 34 2.418 -4.766 9.567 1.00 1.02 C ATOM 509 CG TYR A 34 2.125 -3.445 10.251 1.00 1.06 C ATOM 510 CD1 TYR A 34 1.103 -3.364 11.215 1.00 1.82 C ATOM 511 CD2 TYR A 34 2.805 -2.280 9.852 1.00 2.02 C ATOM 512 CE1 TYR A 34 0.770 -2.123 11.783 1.00 1.87 C ATOM 513 CE2 TYR A 34 2.488 -1.044 10.437 1.00 2.04 C ATOM 514 CZ TYR A 34 1.461 -0.963 11.393 1.00 1.18 C ATOM 515 OH TYR A 34 1.162 0.242 11.956 1.00 1.32 O ATOM 0 H TYR A 34 2.030 -6.303 6.916 1.00 0.93 H new ATOM 0 HA TYR A 34 0.420 -5.367 9.093 1.00 0.90 H new ATOM 0 HB2 TYR A 34 2.521 -5.539 10.328 1.00 1.02 H new ATOM 0 HB3 TYR A 34 3.378 -4.691 9.057 1.00 1.02 H new ATOM 0 HD1 TYR A 34 0.575 -4.256 11.518 1.00 1.82 H new ATOM 0 HD2 TYR A 34 3.572 -2.337 9.094 1.00 2.02 H new ATOM 0 HE1 TYR A 34 -0.017 -2.060 12.520 1.00 1.87 H new ATOM 0 HE2 TYR A 34 3.033 -0.156 10.153 1.00 2.04 H new ATOM 0 HH TYR A 34 1.878 0.882 11.759 1.00 1.32 H new ATOM 525 N CYS A 35 0.377 -3.092 7.766 1.00 0.94 N ATOM 526 CA CYS A 35 0.236 -1.927 6.901 1.00 0.83 C ATOM 527 C CYS A 35 0.061 -0.673 7.744 1.00 0.76 C ATOM 528 O CYS A 35 -0.418 -0.757 8.874 1.00 0.98 O ATOM 529 CB CYS A 35 -0.983 -2.055 5.984 1.00 0.84 C ATOM 530 SG CYS A 35 -0.577 -3.109 4.584 1.00 2.20 S ATOM 0 H CYS A 35 -0.177 -3.032 8.620 1.00 0.94 H new ATOM 0 HA CYS A 35 1.139 -1.862 6.293 1.00 0.83 H new ATOM 0 HB2 CYS A 35 -1.824 -2.475 6.536 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -1.292 -1.070 5.633 1.00 0.84 H new ATOM 0 HG CYS A 35 0.426 -3.876 4.894 1.00 2.20 H new ATOM 536 N SER A 36 0.424 0.478 7.175 1.00 0.60 N ATOM 537 CA SER A 36 0.106 1.800 7.697 1.00 0.59 C ATOM 538 C SER A 36 0.300 2.811 6.565 1.00 0.48 C ATOM 539 O SER A 36 1.422 2.931 6.065 1.00 0.58 O ATOM 540 CB SER A 36 1.027 2.106 8.887 1.00 0.85 C ATOM 541 OG SER A 36 0.795 3.403 9.399 1.00 1.83 O ATOM 0 H SER A 36 0.965 0.512 6.311 1.00 0.60 H new ATOM 0 HA SER A 36 -0.924 1.852 8.049 1.00 0.59 H new ATOM 0 HB2 SER A 36 0.865 1.369 9.673 1.00 0.85 H new ATOM 0 HB3 SER A 36 2.068 2.017 8.576 1.00 0.85 H new ATOM 0 HG SER A 36 1.395 3.568 10.156 1.00 1.83 H new ATOM 547 N VAL A 37 -0.753 3.512 6.120 1.00 0.44 N ATOM 548 CA VAL A 37 -0.606 4.622 5.186 1.00 0.50 C ATOM 549 C VAL A 37 -0.756 5.978 5.881 1.00 0.53 C ATOM 550 O VAL A 37 -1.330 6.079 6.962 1.00 0.68 O ATOM 551 CB VAL A 37 -1.558 4.456 3.994 1.00 0.70 C ATOM 552 CG1 VAL A 37 -1.577 3.017 3.479 1.00 1.67 C ATOM 553 CG2 VAL A 37 -2.998 4.828 4.333 1.00 1.55 C ATOM 0 H VAL A 37 -1.716 3.324 6.397 1.00 0.44 H new ATOM 0 HA VAL A 37 0.410 4.602 4.792 1.00 0.50 H new ATOM 0 HB VAL A 37 -1.172 5.134 3.233 1.00 0.70 H new ATOM 0 HG11 VAL A 37 -2.263 2.942 2.635 1.00 1.67 H new ATOM 0 HG12 VAL A 37 -0.575 2.732 3.159 1.00 1.67 H new ATOM 0 HG13 VAL A 37 -1.907 2.350 4.275 1.00 1.67 H new ATOM 0 HG21 VAL A 37 -3.626 4.691 3.453 1.00 1.55 H new ATOM 0 HG22 VAL A 37 -3.359 4.189 5.139 1.00 1.55 H new ATOM 0 HG23 VAL A 37 -3.040 5.870 4.650 1.00 1.55 H new ATOM 563 N ALA A 38 -0.245 7.038 5.245 1.00 0.57 N ATOM 564 CA ALA A 38 -0.372 8.404 5.728 1.00 0.68 C ATOM 565 C ALA A 38 -0.439 9.368 4.551 1.00 0.66 C ATOM 566 O ALA A 38 0.333 9.251 3.600 1.00 0.60 O ATOM 567 CB ALA A 38 0.792 8.763 6.644 1.00 0.79 C ATOM 0 H ALA A 38 0.274 6.963 4.370 1.00 0.57 H new ATOM 0 HA ALA A 38 -1.294 8.485 6.304 1.00 0.68 H new ATOM 0 HB1 ALA A 38 0.677 9.789 6.994 1.00 0.79 H new ATOM 0 HB2 ALA A 38 0.804 8.087 7.499 1.00 0.79 H new ATOM 0 HB3 ALA A 38 1.729 8.670 6.095 1.00 0.79 H new ATOM 573 N LEU A 39 -1.363 10.327 4.638 1.00 0.79 N ATOM 574 CA LEU A 39 -1.703 11.220 3.541 1.00 0.85 C ATOM 575 C LEU A 39 -0.709 12.375 3.421 1.00 0.90 C ATOM 576 O LEU A 39 -0.251 12.685 2.322 1.00 0.94 O ATOM 577 CB LEU A 39 -3.169 11.684 3.614 1.00 1.09 C ATOM 578 CG LEU A 39 -3.604 12.453 4.877 1.00 0.99 C ATOM 579 CD1 LEU A 39 -4.592 13.559 4.482 1.00 1.61 C ATOM 580 CD2 LEU A 39 -4.299 11.536 5.892 1.00 1.41 C ATOM 0 H LEU A 39 -1.901 10.503 5.487 1.00 0.79 H new ATOM 0 HA LEU A 39 -1.615 10.652 2.615 1.00 0.85 H new ATOM 0 HB2 LEU A 39 -3.366 12.317 2.749 1.00 1.09 H new ATOM 0 HB3 LEU A 39 -3.806 10.805 3.518 1.00 1.09 H new ATOM 0 HG LEU A 39 -2.706 12.868 5.335 1.00 0.99 H new ATOM 0 HD11 LEU A 39 -4.902 14.105 5.373 1.00 1.61 H new ATOM 0 HD12 LEU A 39 -4.111 14.245 3.785 1.00 1.61 H new ATOM 0 HD13 LEU A 39 -5.466 13.113 4.007 1.00 1.61 H new ATOM 0 HD21 LEU A 39 -4.590 12.117 6.767 1.00 1.41 H new ATOM 0 HD22 LEU A 39 -5.187 11.096 5.437 1.00 1.41 H new ATOM 0 HD23 LEU A 39 -3.615 10.743 6.194 1.00 1.41 H new ATOM 592 N ALA A 40 -0.317 12.979 4.548 1.00 0.98 N ATOM 593 CA ALA A 40 0.534 14.161 4.557 1.00 1.15 C ATOM 594 C ALA A 40 1.879 13.846 3.911 1.00 1.07 C ATOM 595 O ALA A 40 2.423 14.653 3.161 1.00 1.21 O ATOM 596 CB ALA A 40 0.717 14.653 5.995 1.00 1.36 C ATOM 0 H ALA A 40 -0.584 12.657 5.478 1.00 0.98 H new ATOM 0 HA ALA A 40 0.060 14.953 3.978 1.00 1.15 H new ATOM 0 HB1 ALA A 40 1.354 15.537 5.999 1.00 1.36 H new ATOM 0 HB2 ALA A 40 -0.255 14.904 6.420 1.00 1.36 H new ATOM 0 HB3 ALA A 40 1.182 13.868 6.592 1.00 1.36 H new ATOM 602 N THR A 41 2.390 12.644 4.193 1.00 0.94 N ATOM 603 CA THR A 41 3.626 12.140 3.617 1.00 0.92 C ATOM 604 C THR A 41 3.348 11.212 2.428 1.00 0.70 C ATOM 605 O THR A 41 4.292 10.647 1.880 1.00 0.82 O ATOM 606 CB THR A 41 4.448 11.472 4.728 1.00 1.27 C ATOM 607 OG1 THR A 41 5.679 10.993 4.226 1.00 2.22 O ATOM 608 CG2 THR A 41 3.697 10.329 5.411 1.00 1.82 C ATOM 0 H THR A 41 1.946 11.990 4.837 1.00 0.94 H new ATOM 0 HA THR A 41 4.214 12.962 3.208 1.00 0.92 H new ATOM 0 HB THR A 41 4.632 12.243 5.476 1.00 1.27 H new ATOM 0 HG1 THR A 41 5.567 10.719 3.292 1.00 2.22 H new ATOM 0 HG21 THR A 41 4.326 9.893 6.188 1.00 1.82 H new ATOM 0 HG22 THR A 41 2.780 10.712 5.859 1.00 1.82 H new ATOM 0 HG23 THR A 41 3.449 9.565 4.674 1.00 1.82 H new ATOM 616 N ASN A 42 2.073 11.053 2.040 1.00 0.67 N ATOM 617 CA ASN A 42 1.614 10.332 0.855 1.00 0.76 C ATOM 618 C ASN A 42 2.323 8.982 0.736 1.00 0.81 C ATOM 619 O ASN A 42 2.841 8.610 -0.311 1.00 1.07 O ATOM 620 CB ASN A 42 1.630 11.211 -0.423 1.00 0.88 C ATOM 621 CG ASN A 42 2.347 12.553 -0.296 1.00 2.09 C ATOM 622 OD1 ASN A 42 3.382 12.779 -0.912 1.00 3.26 O ATOM 623 ND2 ASN A 42 1.790 13.462 0.500 1.00 2.83 N ATOM 0 H ASN A 42 1.299 11.446 2.576 1.00 0.67 H new ATOM 0 HA ASN A 42 0.557 10.094 0.977 1.00 0.76 H new ATOM 0 HB2 ASN A 42 2.100 10.643 -1.226 1.00 0.88 H new ATOM 0 HB3 ASN A 42 0.600 11.398 -0.726 1.00 0.88 H new ATOM 0 HD21 ASN A 42 2.225 14.378 0.611 1.00 2.83 H new ATOM 0 HD22 ASN A 42 0.928 13.243 0.999 1.00 2.83 H new ATOM 630 N LYS A 43 2.346 8.244 1.844 1.00 0.68 N ATOM 631 CA LYS A 43 3.139 7.038 2.034 1.00 0.84 C ATOM 632 C LYS A 43 2.192 5.882 2.314 1.00 0.66 C ATOM 633 O LYS A 43 1.212 6.067 3.034 1.00 0.58 O ATOM 634 CB LYS A 43 4.068 7.282 3.235 1.00 1.08 C ATOM 635 CG LYS A 43 4.941 6.104 3.690 1.00 1.53 C ATOM 636 CD LYS A 43 5.937 5.588 2.644 1.00 1.03 C ATOM 637 CE LYS A 43 6.870 6.684 2.102 1.00 1.08 C ATOM 638 NZ LYS A 43 8.000 6.087 1.363 1.00 2.09 N ATOM 0 H LYS A 43 1.789 8.482 2.665 1.00 0.68 H new ATOM 0 HA LYS A 43 3.734 6.799 1.153 1.00 0.84 H new ATOM 0 HB2 LYS A 43 4.725 8.117 2.991 1.00 1.08 H new ATOM 0 HB3 LYS A 43 3.455 7.596 4.080 1.00 1.08 H new ATOM 0 HG2 LYS A 43 5.495 6.405 4.579 1.00 1.53 H new ATOM 0 HG3 LYS A 43 4.289 5.282 3.984 1.00 1.53 H new ATOM 0 HD2 LYS A 43 6.539 4.794 3.086 1.00 1.03 H new ATOM 0 HD3 LYS A 43 5.386 5.146 1.814 1.00 1.03 H new ATOM 0 HE2 LYS A 43 6.312 7.352 1.446 1.00 1.08 H new ATOM 0 HE3 LYS A 43 7.247 7.289 2.927 1.00 1.08 H new ATOM 0 HZ1 LYS A 43 8.552 6.840 0.905 1.00 2.09 H new ATOM 0 HZ2 LYS A 43 8.609 5.564 2.024 1.00 2.09 H new ATOM 0 HZ3 LYS A 43 7.636 5.436 0.638 1.00 2.09 H new ATOM 652 N ALA A 44 2.518 4.693 1.802 1.00 0.80 N ATOM 653 CA ALA A 44 2.006 3.432 2.309 1.00 0.70 C ATOM 654 C ALA A 44 3.196 2.578 2.726 1.00 0.75 C ATOM 655 O ALA A 44 3.957 2.125 1.874 1.00 0.90 O ATOM 656 CB ALA A 44 1.139 2.734 1.259 1.00 0.80 C ATOM 0 H ALA A 44 3.155 4.585 1.012 1.00 0.80 H new ATOM 0 HA ALA A 44 1.363 3.601 3.173 1.00 0.70 H new ATOM 0 HB1 ALA A 44 0.767 1.792 1.662 1.00 0.80 H new ATOM 0 HB2 ALA A 44 0.297 3.375 0.998 1.00 0.80 H new ATOM 0 HB3 ALA A 44 1.735 2.537 0.368 1.00 0.80 H new ATOM 662 N HIS A 45 3.373 2.381 4.036 1.00 0.82 N ATOM 663 CA HIS A 45 4.262 1.382 4.573 1.00 1.08 C ATOM 664 C HIS A 45 3.445 0.100 4.566 1.00 0.96 C ATOM 665 O HIS A 45 2.503 -0.032 5.346 1.00 1.08 O ATOM 666 CB HIS A 45 4.667 1.855 5.973 1.00 1.37 C ATOM 667 CG HIS A 45 5.208 0.859 6.966 1.00 1.13 C ATOM 668 ND1 HIS A 45 5.469 1.207 8.268 1.00 1.42 N ATOM 669 CD2 HIS A 45 5.309 -0.509 6.877 1.00 1.08 C ATOM 670 CE1 HIS A 45 5.726 0.082 8.942 1.00 1.54 C ATOM 671 NE2 HIS A 45 5.656 -0.991 8.141 1.00 1.40 N ATOM 0 H HIS A 45 2.890 2.925 4.751 1.00 0.82 H new ATOM 0 HA HIS A 45 5.185 1.218 4.017 1.00 1.08 H new ATOM 0 HB2 HIS A 45 5.419 2.634 5.849 1.00 1.37 H new ATOM 0 HB3 HIS A 45 3.793 2.324 6.425 1.00 1.37 H new ATOM 0 HD1 HIS A 45 5.467 2.152 8.651 1.00 1.42 H new ATOM 0 HD2 HIS A 45 5.149 -1.104 5.990 1.00 1.08 H new ATOM 0 HE1 HIS A 45 5.960 0.042 9.996 1.00 1.54 H new ATOM 679 N ILE A 46 3.818 -0.835 3.694 1.00 0.79 N ATOM 680 CA ILE A 46 3.283 -2.182 3.662 1.00 0.68 C ATOM 681 C ILE A 46 4.377 -3.142 4.114 1.00 0.64 C ATOM 682 O ILE A 46 5.545 -2.939 3.790 1.00 0.97 O ATOM 683 CB ILE A 46 2.807 -2.479 2.235 1.00 0.79 C ATOM 684 CG1 ILE A 46 1.590 -1.608 1.886 1.00 0.89 C ATOM 685 CG2 ILE A 46 2.449 -3.956 2.035 1.00 0.84 C ATOM 686 CD1 ILE A 46 1.635 -1.175 0.423 1.00 0.92 C ATOM 0 H ILE A 46 4.520 -0.665 2.974 1.00 0.79 H new ATOM 0 HA ILE A 46 2.432 -2.298 4.333 1.00 0.68 H new ATOM 0 HB ILE A 46 3.637 -2.243 1.569 1.00 0.79 H new ATOM 0 HG12 ILE A 46 0.672 -2.164 2.077 1.00 0.89 H new ATOM 0 HG13 ILE A 46 1.570 -0.729 2.530 1.00 0.89 H new ATOM 0 HG21 ILE A 46 2.118 -4.114 1.009 1.00 0.84 H new ATOM 0 HG22 ILE A 46 3.326 -4.573 2.233 1.00 0.84 H new ATOM 0 HG23 ILE A 46 1.649 -4.233 2.721 1.00 0.84 H new ATOM 0 HD11 ILE A 46 0.764 -0.560 0.199 1.00 0.92 H new ATOM 0 HD12 ILE A 46 2.542 -0.599 0.242 1.00 0.92 H new ATOM 0 HD13 ILE A 46 1.631 -2.057 -0.218 1.00 0.92 H new ATOM 698 N LYS A 47 3.995 -4.186 4.847 1.00 0.43 N ATOM 699 CA LYS A 47 4.790 -5.379 5.086 1.00 0.53 C ATOM 700 C LYS A 47 3.979 -6.551 4.554 1.00 0.50 C ATOM 701 O LYS A 47 2.777 -6.605 4.814 1.00 0.89 O ATOM 702 CB LYS A 47 5.093 -5.558 6.568 1.00 0.73 C ATOM 703 CG LYS A 47 5.774 -4.342 7.193 1.00 0.79 C ATOM 704 CD LYS A 47 6.480 -4.826 8.464 1.00 0.97 C ATOM 705 CE LYS A 47 7.110 -3.649 9.217 1.00 1.13 C ATOM 706 NZ LYS A 47 7.925 -4.099 10.364 1.00 2.17 N ATOM 0 H LYS A 47 3.085 -4.221 5.307 1.00 0.43 H new ATOM 0 HA LYS A 47 5.755 -5.306 4.584 1.00 0.53 H new ATOM 0 HB2 LYS A 47 4.164 -5.760 7.101 1.00 0.73 H new ATOM 0 HB3 LYS A 47 5.732 -6.432 6.699 1.00 0.73 H new ATOM 0 HG2 LYS A 47 6.490 -3.902 6.499 1.00 0.79 H new ATOM 0 HG3 LYS A 47 5.042 -3.569 7.429 1.00 0.79 H new ATOM 0 HD2 LYS A 47 5.766 -5.337 9.110 1.00 0.97 H new ATOM 0 HD3 LYS A 47 7.251 -5.552 8.204 1.00 0.97 H new ATOM 0 HE2 LYS A 47 7.733 -3.073 8.533 1.00 1.13 H new ATOM 0 HE3 LYS A 47 6.324 -2.982 9.570 1.00 1.13 H new ATOM 0 HZ1 LYS A 47 8.333 -3.272 10.846 1.00 2.17 H new ATOM 0 HZ2 LYS A 47 7.326 -4.627 11.030 1.00 2.17 H new ATOM 0 HZ3 LYS A 47 8.691 -4.715 10.025 1.00 2.17 H new ATOM 720 N TYR A 48 4.592 -7.451 3.783 1.00 0.50 N ATOM 721 CA TYR A 48 3.851 -8.391 2.955 1.00 0.51 C ATOM 722 C TYR A 48 4.750 -9.530 2.487 1.00 0.74 C ATOM 723 O TYR A 48 5.972 -9.428 2.590 1.00 0.87 O ATOM 724 CB TYR A 48 3.269 -7.658 1.735 1.00 0.56 C ATOM 725 CG TYR A 48 4.297 -7.285 0.678 1.00 0.53 C ATOM 726 CD1 TYR A 48 5.332 -6.376 0.970 1.00 1.89 C ATOM 727 CD2 TYR A 48 4.287 -7.947 -0.566 1.00 1.67 C ATOM 728 CE1 TYR A 48 6.371 -6.175 0.049 1.00 2.03 C ATOM 729 CE2 TYR A 48 5.258 -7.642 -1.532 1.00 1.73 C ATOM 730 CZ TYR A 48 6.320 -6.782 -1.212 1.00 1.03 C ATOM 731 OH TYR A 48 7.323 -6.560 -2.107 1.00 1.43 O ATOM 0 H TYR A 48 5.606 -7.545 3.718 1.00 0.50 H new ATOM 0 HA TYR A 48 3.042 -8.813 3.552 1.00 0.51 H new ATOM 0 HB2 TYR A 48 2.507 -8.288 1.277 1.00 0.56 H new ATOM 0 HB3 TYR A 48 2.770 -6.751 2.075 1.00 0.56 H new ATOM 0 HD1 TYR A 48 5.326 -5.833 1.904 1.00 1.89 H new ATOM 0 HD2 TYR A 48 3.531 -8.690 -0.776 1.00 1.67 H new ATOM 0 HE1 TYR A 48 7.212 -5.551 0.313 1.00 2.03 H new ATOM 0 HE2 TYR A 48 5.188 -8.069 -2.522 1.00 1.73 H new ATOM 0 HH TYR A 48 7.197 -7.137 -2.889 1.00 1.43 H new ATOM 741 N ASP A 49 4.146 -10.584 1.932 1.00 1.06 N ATOM 742 CA ASP A 49 4.854 -11.768 1.473 1.00 1.28 C ATOM 743 C ASP A 49 4.939 -11.726 -0.060 1.00 1.27 C ATOM 744 O ASP A 49 3.937 -11.989 -0.731 1.00 1.33 O ATOM 745 CB ASP A 49 4.075 -12.997 1.948 1.00 1.64 C ATOM 746 CG ASP A 49 3.876 -13.024 3.457 1.00 2.71 C ATOM 747 OD1 ASP A 49 2.933 -12.339 3.911 1.00 4.22 O ATOM 748 OD2 ASP A 49 4.657 -13.734 4.122 1.00 3.01 O ATOM 0 H ASP A 49 3.137 -10.633 1.790 1.00 1.06 H new ATOM 0 HA ASP A 49 5.867 -11.810 1.874 1.00 1.28 H new ATOM 0 HB2 ASP A 49 3.102 -13.016 1.458 1.00 1.64 H new ATOM 0 HB3 ASP A 49 4.605 -13.898 1.640 1.00 1.64 H new ATOM 753 N PRO A 50 6.098 -11.411 -0.665 1.00 1.29 N ATOM 754 CA PRO A 50 6.191 -11.103 -2.091 1.00 1.28 C ATOM 755 C PRO A 50 6.153 -12.341 -3.000 1.00 1.38 C ATOM 756 O PRO A 50 6.670 -12.288 -4.114 1.00 1.26 O ATOM 757 CB PRO A 50 7.520 -10.349 -2.232 1.00 1.28 C ATOM 758 CG PRO A 50 8.383 -10.992 -1.153 1.00 1.45 C ATOM 759 CD PRO A 50 7.383 -11.203 -0.017 1.00 1.39 C ATOM 0 HA PRO A 50 5.328 -10.521 -2.415 1.00 1.28 H new ATOM 0 HB2 PRO A 50 7.953 -10.473 -3.225 1.00 1.28 H new ATOM 0 HB3 PRO A 50 7.398 -9.278 -2.069 1.00 1.28 H new ATOM 0 HG2 PRO A 50 8.821 -11.932 -1.489 1.00 1.45 H new ATOM 0 HG3 PRO A 50 9.208 -10.346 -0.853 1.00 1.45 H new ATOM 0 HD2 PRO A 50 7.658 -12.063 0.594 1.00 1.39 H new ATOM 0 HD3 PRO A 50 7.353 -10.338 0.645 1.00 1.39 H new ATOM 767 N GLU A 51 5.535 -13.436 -2.550 1.00 2.20 N ATOM 768 CA GLU A 51 5.544 -14.724 -3.229 1.00 2.36 C ATOM 769 C GLU A 51 4.107 -15.206 -3.395 1.00 2.42 C ATOM 770 O GLU A 51 3.614 -15.351 -4.510 1.00 3.00 O ATOM 771 CB GLU A 51 6.384 -15.725 -2.422 1.00 2.45 C ATOM 772 CG GLU A 51 7.834 -15.252 -2.252 1.00 2.36 C ATOM 773 CD GLU A 51 8.664 -16.279 -1.494 1.00 2.71 C ATOM 774 OE1 GLU A 51 8.618 -17.458 -1.905 1.00 3.78 O ATOM 775 OE2 GLU A 51 9.316 -15.867 -0.511 1.00 2.75 O ATOM 0 H GLU A 51 5.002 -13.446 -1.680 1.00 2.20 H new ATOM 0 HA GLU A 51 5.994 -14.631 -4.217 1.00 2.36 H new ATOM 0 HB2 GLU A 51 5.932 -15.869 -1.441 1.00 2.45 H new ATOM 0 HB3 GLU A 51 6.375 -16.693 -2.923 1.00 2.45 H new ATOM 0 HG2 GLU A 51 8.278 -15.073 -3.231 1.00 2.36 H new ATOM 0 HG3 GLU A 51 7.849 -14.302 -1.717 1.00 2.36 H new ATOM 782 N ILE A 52 3.430 -15.437 -2.267 1.00 2.12 N ATOM 783 CA ILE A 52 2.045 -15.885 -2.245 1.00 2.17 C ATOM 784 C ILE A 52 1.124 -14.913 -2.980 1.00 2.11 C ATOM 785 O ILE A 52 0.206 -15.344 -3.677 1.00 2.65 O ATOM 786 CB ILE A 52 1.566 -16.145 -0.804 1.00 2.04 C ATOM 787 CG1 ILE A 52 2.050 -15.107 0.222 1.00 1.60 C ATOM 788 CG2 ILE A 52 2.003 -17.556 -0.384 1.00 2.38 C ATOM 789 CD1 ILE A 52 1.299 -15.250 1.554 1.00 1.65 C ATOM 0 H ILE A 52 3.836 -15.316 -1.339 1.00 2.12 H new ATOM 0 HA ILE A 52 1.999 -16.833 -2.782 1.00 2.17 H new ATOM 0 HB ILE A 52 0.480 -16.055 -0.810 1.00 2.04 H new ATOM 0 HG12 ILE A 52 3.120 -15.229 0.390 1.00 1.60 H new ATOM 0 HG13 ILE A 52 1.903 -14.103 -0.176 1.00 1.60 H new ATOM 0 HG21 ILE A 52 1.670 -17.752 0.635 1.00 2.38 H new ATOM 0 HG22 ILE A 52 1.561 -18.290 -1.058 1.00 2.38 H new ATOM 0 HG23 ILE A 52 3.090 -17.629 -0.431 1.00 2.38 H new ATOM 0 HD11 ILE A 52 1.663 -14.503 2.259 1.00 1.65 H new ATOM 0 HD12 ILE A 52 0.232 -15.102 1.388 1.00 1.65 H new ATOM 0 HD13 ILE A 52 1.468 -16.247 1.962 1.00 1.65 H new ATOM 801 N ILE A 53 1.367 -13.613 -2.810 1.00 1.53 N ATOM 802 CA ILE A 53 0.707 -12.560 -3.568 1.00 1.25 C ATOM 803 C ILE A 53 1.701 -11.963 -4.577 1.00 1.07 C ATOM 804 O ILE A 53 1.719 -12.351 -5.747 1.00 1.30 O ATOM 805 CB ILE A 53 -0.010 -11.572 -2.616 1.00 1.26 C ATOM 806 CG1 ILE A 53 -0.524 -10.367 -3.413 1.00 1.11 C ATOM 807 CG2 ILE A 53 0.769 -11.114 -1.366 1.00 1.32 C ATOM 808 CD1 ILE A 53 -1.623 -9.598 -2.684 1.00 1.54 C ATOM 0 H ILE A 53 2.040 -13.261 -2.129 1.00 1.53 H new ATOM 0 HA ILE A 53 -0.107 -12.948 -4.181 1.00 1.25 H new ATOM 0 HB ILE A 53 -0.833 -12.150 -2.195 1.00 1.26 H new ATOM 0 HG12 ILE A 53 0.308 -9.693 -3.620 1.00 1.11 H new ATOM 0 HG13 ILE A 53 -0.904 -10.710 -4.375 1.00 1.11 H new ATOM 0 HG21 ILE A 53 0.154 -10.425 -0.786 1.00 1.32 H new ATOM 0 HG22 ILE A 53 1.018 -11.981 -0.754 1.00 1.32 H new ATOM 0 HG23 ILE A 53 1.686 -10.611 -1.673 1.00 1.32 H new ATOM 0 HD11 ILE A 53 -1.946 -8.757 -3.297 1.00 1.54 H new ATOM 0 HD12 ILE A 53 -2.469 -10.260 -2.500 1.00 1.54 H new ATOM 0 HD13 ILE A 53 -1.239 -9.228 -1.734 1.00 1.54 H new ATOM 820 N GLY A 54 2.553 -11.045 -4.117 1.00 1.09 N ATOM 821 CA GLY A 54 3.524 -10.348 -4.942 1.00 1.01 C ATOM 822 C GLY A 54 3.340 -8.830 -4.853 1.00 0.75 C ATOM 823 O GLY A 54 2.249 -8.344 -4.555 1.00 0.64 O ATOM 0 H GLY A 54 2.582 -10.764 -3.137 1.00 1.09 H new ATOM 0 HA2 GLY A 54 4.532 -10.614 -4.624 1.00 1.01 H new ATOM 0 HA3 GLY A 54 3.421 -10.669 -5.979 1.00 1.01 H new ATOM 827 N PRO A 55 4.408 -8.061 -5.117 1.00 0.79 N ATOM 828 CA PRO A 55 4.352 -6.607 -5.152 1.00 0.75 C ATOM 829 C PRO A 55 3.386 -6.133 -6.242 1.00 0.66 C ATOM 830 O PRO A 55 2.615 -5.203 -6.016 1.00 0.65 O ATOM 831 CB PRO A 55 5.790 -6.142 -5.406 1.00 0.98 C ATOM 832 CG PRO A 55 6.480 -7.355 -6.037 1.00 1.10 C ATOM 833 CD PRO A 55 5.735 -8.553 -5.446 1.00 1.03 C ATOM 0 HA PRO A 55 3.974 -6.186 -4.220 1.00 0.75 H new ATOM 0 HB2 PRO A 55 5.816 -5.280 -6.072 1.00 0.98 H new ATOM 0 HB3 PRO A 55 6.280 -5.844 -4.479 1.00 0.98 H new ATOM 0 HG2 PRO A 55 6.406 -7.336 -7.124 1.00 1.10 H new ATOM 0 HG3 PRO A 55 7.541 -7.384 -5.790 1.00 1.10 H new ATOM 0 HD2 PRO A 55 5.683 -9.374 -6.161 1.00 1.03 H new ATOM 0 HD3 PRO A 55 6.243 -8.933 -4.560 1.00 1.03 H new ATOM 841 N ARG A 56 3.437 -6.799 -7.404 1.00 0.68 N ATOM 842 CA ARG A 56 2.520 -6.667 -8.535 1.00 0.81 C ATOM 843 C ARG A 56 1.104 -6.348 -8.051 1.00 0.60 C ATOM 844 O ARG A 56 0.609 -5.241 -8.241 1.00 0.69 O ATOM 845 CB ARG A 56 2.555 -7.998 -9.314 1.00 1.15 C ATOM 846 CG ARG A 56 1.599 -8.114 -10.510 1.00 2.38 C ATOM 847 CD ARG A 56 1.112 -9.564 -10.679 1.00 3.84 C ATOM 848 NE ARG A 56 2.219 -10.541 -10.750 1.00 4.83 N ATOM 849 CZ ARG A 56 2.523 -11.516 -9.865 1.00 6.40 C ATOM 850 NH1 ARG A 56 1.894 -11.636 -8.692 1.00 7.23 N ATOM 851 NH2 ARG A 56 3.490 -12.389 -10.170 1.00 7.67 N ATOM 0 H ARG A 56 4.168 -7.487 -7.586 1.00 0.68 H new ATOM 0 HA ARG A 56 2.825 -5.844 -9.182 1.00 0.81 H new ATOM 0 HB2 ARG A 56 3.572 -8.157 -9.673 1.00 1.15 H new ATOM 0 HB3 ARG A 56 2.332 -8.807 -8.618 1.00 1.15 H new ATOM 0 HG2 ARG A 56 0.745 -7.453 -10.364 1.00 2.38 H new ATOM 0 HG3 ARG A 56 2.104 -7.787 -11.419 1.00 2.38 H new ATOM 0 HD2 ARG A 56 0.460 -9.822 -9.844 1.00 3.84 H new ATOM 0 HD3 ARG A 56 0.512 -9.636 -11.586 1.00 3.84 H new ATOM 0 HE ARG A 56 2.827 -10.471 -11.566 1.00 4.83 H new ATOM 0 HH11 ARG A 56 1.157 -10.978 -8.439 1.00 7.23 H new ATOM 0 HH12 ARG A 56 2.151 -12.385 -8.050 1.00 7.23 H new ATOM 0 HH21 ARG A 56 3.985 -12.312 -11.059 1.00 7.67 H new ATOM 0 HH22 ARG A 56 3.733 -13.131 -9.514 1.00 7.67 H new ATOM 865 N ASP A 57 0.458 -7.340 -7.442 1.00 0.53 N ATOM 866 CA ASP A 57 -0.940 -7.345 -7.058 1.00 0.53 C ATOM 867 C ASP A 57 -1.221 -6.193 -6.112 1.00 0.43 C ATOM 868 O ASP A 57 -2.216 -5.497 -6.265 1.00 0.43 O ATOM 869 CB ASP A 57 -1.260 -8.667 -6.352 1.00 0.74 C ATOM 870 CG ASP A 57 -0.834 -9.872 -7.167 1.00 2.56 C ATOM 871 OD1 ASP A 57 0.394 -9.962 -7.395 1.00 4.04 O ATOM 872 OD2 ASP A 57 -1.710 -10.655 -7.580 1.00 3.50 O ATOM 0 H ASP A 57 0.929 -8.209 -7.192 1.00 0.53 H new ATOM 0 HA ASP A 57 -1.559 -7.237 -7.948 1.00 0.53 H new ATOM 0 HB2 ASP A 57 -0.759 -8.690 -5.384 1.00 0.74 H new ATOM 0 HB3 ASP A 57 -2.331 -8.723 -6.158 1.00 0.74 H new ATOM 877 N ILE A 58 -0.352 -6.004 -5.121 1.00 0.48 N ATOM 878 CA ILE A 58 -0.495 -4.936 -4.149 1.00 0.53 C ATOM 879 C ILE A 58 -0.514 -3.590 -4.872 1.00 0.56 C ATOM 880 O ILE A 58 -1.516 -2.877 -4.816 1.00 0.55 O ATOM 881 CB ILE A 58 0.604 -5.077 -3.081 1.00 0.67 C ATOM 882 CG1 ILE A 58 0.257 -6.312 -2.227 1.00 0.72 C ATOM 883 CG2 ILE A 58 0.745 -3.818 -2.218 1.00 0.78 C ATOM 884 CD1 ILE A 58 1.216 -6.533 -1.060 1.00 0.91 C ATOM 0 H ILE A 58 0.470 -6.590 -4.974 1.00 0.48 H new ATOM 0 HA ILE A 58 -1.444 -4.999 -3.617 1.00 0.53 H new ATOM 0 HB ILE A 58 1.572 -5.205 -3.565 1.00 0.67 H new ATOM 0 HG12 ILE A 58 -0.756 -6.203 -1.839 1.00 0.72 H new ATOM 0 HG13 ILE A 58 0.261 -7.197 -2.863 1.00 0.72 H new ATOM 0 HG21 ILE A 58 1.533 -3.969 -1.480 1.00 0.78 H new ATOM 0 HG22 ILE A 58 0.999 -2.969 -2.852 1.00 0.78 H new ATOM 0 HG23 ILE A 58 -0.197 -3.620 -1.707 1.00 0.78 H new ATOM 0 HD11 ILE A 58 0.912 -7.419 -0.502 1.00 0.91 H new ATOM 0 HD12 ILE A 58 2.227 -6.674 -1.442 1.00 0.91 H new ATOM 0 HD13 ILE A 58 1.194 -5.664 -0.402 1.00 0.91 H new ATOM 896 N ILE A 59 0.565 -3.260 -5.583 1.00 0.64 N ATOM 897 CA ILE A 59 0.664 -2.021 -6.346 1.00 0.73 C ATOM 898 C ILE A 59 -0.568 -1.865 -7.247 1.00 0.71 C ATOM 899 O ILE A 59 -1.217 -0.824 -7.243 1.00 0.74 O ATOM 900 CB ILE A 59 2.010 -2.006 -7.105 1.00 0.84 C ATOM 901 CG1 ILE A 59 3.153 -1.727 -6.114 1.00 1.11 C ATOM 902 CG2 ILE A 59 2.028 -0.996 -8.260 1.00 0.95 C ATOM 903 CD1 ILE A 59 4.538 -2.033 -6.695 1.00 1.56 C ATOM 0 H ILE A 59 1.396 -3.848 -5.644 1.00 0.64 H new ATOM 0 HA ILE A 59 0.664 -1.150 -5.691 1.00 0.73 H new ATOM 0 HB ILE A 59 2.148 -2.988 -7.558 1.00 0.84 H new ATOM 0 HG12 ILE A 59 3.116 -0.681 -5.810 1.00 1.11 H new ATOM 0 HG13 ILE A 59 3.002 -2.325 -5.216 1.00 1.11 H new ATOM 0 HG21 ILE A 59 2.998 -1.029 -8.757 1.00 0.95 H new ATOM 0 HG22 ILE A 59 1.245 -1.247 -8.975 1.00 0.95 H new ATOM 0 HG23 ILE A 59 1.855 0.007 -7.869 1.00 0.95 H new ATOM 0 HD11 ILE A 59 5.302 -1.816 -5.948 1.00 1.56 H new ATOM 0 HD12 ILE A 59 4.591 -3.085 -6.973 1.00 1.56 H new ATOM 0 HD13 ILE A 59 4.707 -1.415 -7.577 1.00 1.56 H new ATOM 915 N HIS A 60 -0.919 -2.917 -7.981 1.00 0.69 N ATOM 916 CA HIS A 60 -2.043 -2.944 -8.906 1.00 0.73 C ATOM 917 C HIS A 60 -3.380 -2.711 -8.183 1.00 0.63 C ATOM 918 O HIS A 60 -4.257 -2.015 -8.688 1.00 0.67 O ATOM 919 CB HIS A 60 -1.996 -4.290 -9.632 1.00 0.90 C ATOM 920 CG HIS A 60 -2.924 -4.455 -10.800 1.00 1.55 C ATOM 921 ND1 HIS A 60 -3.693 -3.486 -11.409 1.00 2.69 N ATOM 922 CD2 HIS A 60 -3.015 -5.596 -11.549 1.00 2.63 C ATOM 923 CE1 HIS A 60 -4.260 -4.051 -12.488 1.00 3.95 C ATOM 924 NE2 HIS A 60 -3.876 -5.335 -12.617 1.00 4.02 N ATOM 0 H HIS A 60 -0.412 -3.801 -7.946 1.00 0.69 H new ATOM 0 HA HIS A 60 -1.967 -2.131 -9.629 1.00 0.73 H new ATOM 0 HB2 HIS A 60 -0.976 -4.454 -9.981 1.00 0.90 H new ATOM 0 HB3 HIS A 60 -2.215 -5.075 -8.909 1.00 0.90 H new ATOM 0 HD1 HIS A 60 -3.810 -2.521 -11.099 1.00 2.69 H new ATOM 0 HD2 HIS A 60 -2.512 -6.531 -11.350 1.00 2.63 H new ATOM 0 HE1 HIS A 60 -4.934 -3.543 -13.162 1.00 3.95 H new ATOM 932 N THR A 61 -3.545 -3.262 -6.981 1.00 0.54 N ATOM 933 CA THR A 61 -4.736 -3.023 -6.179 1.00 0.50 C ATOM 934 C THR A 61 -4.777 -1.547 -5.795 1.00 0.52 C ATOM 935 O THR A 61 -5.785 -0.879 -6.006 1.00 0.61 O ATOM 936 CB THR A 61 -4.765 -3.941 -4.944 1.00 0.48 C ATOM 937 OG1 THR A 61 -4.771 -5.292 -5.352 1.00 0.57 O ATOM 938 CG2 THR A 61 -6.021 -3.719 -4.096 1.00 0.56 C ATOM 0 H THR A 61 -2.862 -3.880 -6.542 1.00 0.54 H new ATOM 0 HA THR A 61 -5.627 -3.262 -6.759 1.00 0.50 H new ATOM 0 HB THR A 61 -3.880 -3.704 -4.353 1.00 0.48 H new ATOM 0 HG1 THR A 61 -3.893 -5.527 -5.718 1.00 0.57 H new ATOM 0 HG21 THR A 61 -6.001 -4.387 -3.235 1.00 0.56 H new ATOM 0 HG22 THR A 61 -6.050 -2.685 -3.753 1.00 0.56 H new ATOM 0 HG23 THR A 61 -6.907 -3.927 -4.696 1.00 0.56 H new ATOM 946 N ILE A 62 -3.688 -1.030 -5.221 1.00 0.52 N ATOM 947 CA ILE A 62 -3.662 0.338 -4.722 1.00 0.59 C ATOM 948 C ILE A 62 -3.846 1.344 -5.866 1.00 0.72 C ATOM 949 O ILE A 62 -4.536 2.348 -5.696 1.00 0.83 O ATOM 950 CB ILE A 62 -2.404 0.560 -3.862 1.00 0.70 C ATOM 951 CG1 ILE A 62 -2.312 -0.417 -2.670 1.00 0.72 C ATOM 952 CG2 ILE A 62 -2.363 1.996 -3.334 1.00 0.85 C ATOM 953 CD1 ILE A 62 -3.651 -0.682 -1.979 1.00 1.53 C ATOM 0 H ILE A 62 -2.815 -1.542 -5.092 1.00 0.52 H new ATOM 0 HA ILE A 62 -4.510 0.512 -4.060 1.00 0.59 H new ATOM 0 HB ILE A 62 -1.551 0.372 -4.514 1.00 0.70 H new ATOM 0 HG12 ILE A 62 -1.902 -1.364 -3.020 1.00 0.72 H new ATOM 0 HG13 ILE A 62 -1.610 -0.017 -1.938 1.00 0.72 H new ATOM 0 HG21 ILE A 62 -1.468 2.136 -2.728 1.00 0.85 H new ATOM 0 HG22 ILE A 62 -2.346 2.692 -4.173 1.00 0.85 H new ATOM 0 HG23 ILE A 62 -3.247 2.185 -2.724 1.00 0.85 H new ATOM 0 HD11 ILE A 62 -3.503 -1.377 -1.153 1.00 1.53 H new ATOM 0 HD12 ILE A 62 -4.055 0.255 -1.596 1.00 1.53 H new ATOM 0 HD13 ILE A 62 -4.351 -1.113 -2.695 1.00 1.53 H new ATOM 965 N GLU A 63 -3.276 1.054 -7.038 1.00 0.74 N ATOM 966 CA GLU A 63 -3.565 1.719 -8.288 1.00 0.84 C ATOM 967 C GLU A 63 -5.075 1.706 -8.522 1.00 0.85 C ATOM 968 O GLU A 63 -5.721 2.754 -8.497 1.00 0.94 O ATOM 969 CB GLU A 63 -2.750 0.975 -9.353 1.00 0.91 C ATOM 970 CG GLU A 63 -3.076 1.329 -10.800 1.00 0.90 C ATOM 971 CD GLU A 63 -4.134 0.408 -11.402 1.00 1.65 C ATOM 972 OE1 GLU A 63 -3.871 -0.815 -11.428 1.00 2.61 O ATOM 973 OE2 GLU A 63 -5.190 0.935 -11.808 1.00 2.70 O ATOM 0 H GLU A 63 -2.575 0.319 -7.134 1.00 0.74 H new ATOM 0 HA GLU A 63 -3.282 2.771 -8.307 1.00 0.84 H new ATOM 0 HB2 GLU A 63 -1.692 1.173 -9.179 1.00 0.91 H new ATOM 0 HB3 GLU A 63 -2.900 -0.096 -9.217 1.00 0.91 H new ATOM 0 HG2 GLU A 63 -3.426 2.360 -10.849 1.00 0.90 H new ATOM 0 HG3 GLU A 63 -2.167 1.273 -11.398 1.00 0.90 H new ATOM 980 N SER A 64 -5.632 0.505 -8.680 1.00 0.82 N ATOM 981 CA SER A 64 -7.036 0.286 -8.998 1.00 0.88 C ATOM 982 C SER A 64 -7.986 1.015 -8.033 1.00 0.84 C ATOM 983 O SER A 64 -9.008 1.546 -8.464 1.00 1.01 O ATOM 984 CB SER A 64 -7.302 -1.222 -9.070 1.00 0.89 C ATOM 985 OG SER A 64 -8.625 -1.497 -9.487 1.00 1.10 O ATOM 0 H SER A 64 -5.103 -0.362 -8.587 1.00 0.82 H new ATOM 0 HA SER A 64 -7.247 0.725 -9.973 1.00 0.88 H new ATOM 0 HB2 SER A 64 -6.598 -1.684 -9.762 1.00 0.89 H new ATOM 0 HB3 SER A 64 -7.127 -1.670 -8.092 1.00 0.89 H new ATOM 0 HG SER A 64 -8.761 -2.467 -9.524 1.00 1.10 H new ATOM 991 N LEU A 65 -7.662 1.071 -6.734 1.00 0.70 N ATOM 992 CA LEU A 65 -8.465 1.805 -5.755 1.00 0.73 C ATOM 993 C LEU A 65 -8.612 3.293 -6.100 1.00 0.80 C ATOM 994 O LEU A 65 -9.581 3.914 -5.667 1.00 0.96 O ATOM 995 CB LEU A 65 -7.875 1.679 -4.343 1.00 0.78 C ATOM 996 CG LEU A 65 -7.973 0.289 -3.694 1.00 0.97 C ATOM 997 CD1 LEU A 65 -7.295 0.354 -2.322 1.00 1.93 C ATOM 998 CD2 LEU A 65 -9.422 -0.178 -3.517 1.00 1.55 C ATOM 0 H LEU A 65 -6.842 0.612 -6.338 1.00 0.70 H new ATOM 0 HA LEU A 65 -9.454 1.349 -5.786 1.00 0.73 H new ATOM 0 HB2 LEU A 65 -6.824 1.966 -4.383 1.00 0.78 H new ATOM 0 HB3 LEU A 65 -8.378 2.397 -3.695 1.00 0.78 H new ATOM 0 HG LEU A 65 -7.482 -0.428 -4.352 1.00 0.97 H new ATOM 0 HD11 LEU A 65 -7.352 -0.623 -1.841 1.00 1.93 H new ATOM 0 HD12 LEU A 65 -6.250 0.637 -2.446 1.00 1.93 H new ATOM 0 HD13 LEU A 65 -7.800 1.094 -1.701 1.00 1.93 H new ATOM 0 HD21 LEU A 65 -9.432 -1.165 -3.054 1.00 1.55 H new ATOM 0 HD22 LEU A 65 -9.956 0.527 -2.880 1.00 1.55 H new ATOM 0 HD23 LEU A 65 -9.909 -0.229 -4.491 1.00 1.55 H new ATOM 1010 N GLY A 66 -7.663 3.870 -6.843 1.00 0.83 N ATOM 1011 CA GLY A 66 -7.695 5.259 -7.278 1.00 0.90 C ATOM 1012 C GLY A 66 -6.663 6.095 -6.526 1.00 0.79 C ATOM 1013 O GLY A 66 -6.978 7.174 -6.026 1.00 0.82 O ATOM 0 H GLY A 66 -6.835 3.368 -7.163 1.00 0.83 H new ATOM 0 HA2 GLY A 66 -7.500 5.312 -8.349 1.00 0.90 H new ATOM 0 HA3 GLY A 66 -8.691 5.672 -7.114 1.00 0.90 H new ATOM 1017 N PHE A 67 -5.420 5.610 -6.484 1.00 0.76 N ATOM 1018 CA PHE A 67 -4.262 6.321 -5.959 1.00 0.74 C ATOM 1019 C PHE A 67 -3.111 6.051 -6.924 1.00 0.78 C ATOM 1020 O PHE A 67 -3.236 5.141 -7.740 1.00 0.87 O ATOM 1021 CB PHE A 67 -3.918 5.786 -4.563 1.00 0.75 C ATOM 1022 CG PHE A 67 -5.061 5.797 -3.569 1.00 0.73 C ATOM 1023 CD1 PHE A 67 -5.574 7.025 -3.124 1.00 1.77 C ATOM 1024 CD2 PHE A 67 -5.670 4.596 -3.159 1.00 1.70 C ATOM 1025 CE1 PHE A 67 -6.721 7.062 -2.314 1.00 1.76 C ATOM 1026 CE2 PHE A 67 -6.795 4.631 -2.315 1.00 1.70 C ATOM 1027 CZ PHE A 67 -7.326 5.865 -1.901 1.00 0.69 C ATOM 0 H PHE A 67 -5.189 4.678 -6.828 1.00 0.76 H new ATOM 0 HA PHE A 67 -4.456 7.390 -5.872 1.00 0.74 H new ATOM 0 HB2 PHE A 67 -3.554 4.763 -4.663 1.00 0.75 H new ATOM 0 HB3 PHE A 67 -3.098 6.378 -4.156 1.00 0.75 H new ATOM 0 HD1 PHE A 67 -5.085 7.946 -3.406 1.00 1.77 H new ATOM 0 HD2 PHE A 67 -5.274 3.648 -3.492 1.00 1.70 H new ATOM 0 HE1 PHE A 67 -7.137 8.011 -2.009 1.00 1.76 H new ATOM 0 HE2 PHE A 67 -7.251 3.709 -1.985 1.00 1.70 H new ATOM 0 HZ PHE A 67 -8.199 5.892 -1.266 1.00 0.69 H new ATOM 1037 N GLU A 68 -1.990 6.780 -6.830 1.00 0.80 N ATOM 1038 CA GLU A 68 -0.801 6.451 -7.617 1.00 0.89 C ATOM 1039 C GLU A 68 0.318 5.848 -6.765 1.00 0.82 C ATOM 1040 O GLU A 68 1.155 6.594 -6.271 1.00 0.91 O ATOM 1041 CB GLU A 68 -0.325 7.630 -8.478 1.00 1.22 C ATOM 1042 CG GLU A 68 -0.082 8.943 -7.726 1.00 2.38 C ATOM 1043 CD GLU A 68 1.060 9.711 -8.374 1.00 3.11 C ATOM 1044 OE1 GLU A 68 2.228 9.366 -8.096 1.00 4.21 O ATOM 1045 OE2 GLU A 68 0.747 10.679 -9.106 1.00 3.37 O ATOM 0 H GLU A 68 -1.885 7.593 -6.222 1.00 0.80 H new ATOM 0 HA GLU A 68 -1.100 5.669 -8.315 1.00 0.89 H new ATOM 0 HB2 GLU A 68 0.600 7.342 -8.978 1.00 1.22 H new ATOM 0 HB3 GLU A 68 -1.066 7.810 -9.257 1.00 1.22 H new ATOM 0 HG2 GLU A 68 -0.988 9.549 -7.733 1.00 2.38 H new ATOM 0 HG3 GLU A 68 0.155 8.735 -6.682 1.00 2.38 H new ATOM 1052 N PRO A 69 0.364 4.516 -6.581 1.00 0.76 N ATOM 1053 CA PRO A 69 1.418 3.857 -5.824 1.00 0.80 C ATOM 1054 C PRO A 69 2.752 3.880 -6.576 1.00 0.92 C ATOM 1055 O PRO A 69 3.251 2.858 -7.045 1.00 1.61 O ATOM 1056 CB PRO A 69 0.910 2.443 -5.534 1.00 0.81 C ATOM 1057 CG PRO A 69 -0.038 2.190 -6.692 1.00 0.79 C ATOM 1058 CD PRO A 69 -0.641 3.553 -6.994 1.00 0.74 C ATOM 0 HA PRO A 69 1.629 4.376 -4.889 1.00 0.80 H new ATOM 0 HB2 PRO A 69 1.723 1.717 -5.509 1.00 0.81 H new ATOM 0 HB3 PRO A 69 0.400 2.384 -4.572 1.00 0.81 H new ATOM 0 HG2 PRO A 69 0.490 1.789 -7.557 1.00 0.79 H new ATOM 0 HG3 PRO A 69 -0.807 1.466 -6.424 1.00 0.79 H new ATOM 0 HD2 PRO A 69 -0.871 3.655 -8.054 1.00 0.74 H new ATOM 0 HD3 PRO A 69 -1.574 3.700 -6.450 1.00 0.74 H new ATOM 1066 N SER A 70 3.344 5.066 -6.660 1.00 0.62 N ATOM 1067 CA SER A 70 4.623 5.317 -7.283 1.00 0.72 C ATOM 1068 C SER A 70 5.726 4.899 -6.312 1.00 0.77 C ATOM 1069 O SER A 70 5.876 5.444 -5.215 1.00 1.14 O ATOM 1070 CB SER A 70 4.708 6.798 -7.644 1.00 0.91 C ATOM 1071 OG SER A 70 3.616 7.131 -8.487 1.00 2.04 O ATOM 0 H SER A 70 2.921 5.911 -6.277 1.00 0.62 H new ATOM 0 HA SER A 70 4.742 4.740 -8.200 1.00 0.72 H new ATOM 0 HB2 SER A 70 4.686 7.408 -6.741 1.00 0.91 H new ATOM 0 HB3 SER A 70 5.651 7.009 -8.148 1.00 0.91 H new ATOM 0 HG SER A 70 3.215 7.973 -8.186 1.00 2.04 H new ATOM 1077 N LEU A 71 6.525 3.918 -6.713 1.00 0.73 N ATOM 1078 CA LEU A 71 7.605 3.392 -5.918 1.00 0.77 C ATOM 1079 C LEU A 71 8.832 4.281 -6.142 1.00 1.29 C ATOM 1080 O LEU A 71 9.826 3.881 -6.740 1.00 2.24 O ATOM 1081 CB LEU A 71 7.777 1.914 -6.284 1.00 1.12 C ATOM 1082 CG LEU A 71 8.901 1.235 -5.501 1.00 2.15 C ATOM 1083 CD1 LEU A 71 8.755 1.388 -3.981 1.00 3.74 C ATOM 1084 CD2 LEU A 71 8.978 -0.246 -5.885 1.00 3.07 C ATOM 0 H LEU A 71 6.430 3.463 -7.621 1.00 0.73 H new ATOM 0 HA LEU A 71 7.418 3.414 -4.844 1.00 0.77 H new ATOM 0 HB2 LEU A 71 6.841 1.387 -6.097 1.00 1.12 H new ATOM 0 HB3 LEU A 71 7.982 1.831 -7.351 1.00 1.12 H new ATOM 0 HG LEU A 71 9.829 1.738 -5.772 1.00 2.15 H new ATOM 0 HD11 LEU A 71 9.584 0.884 -3.483 1.00 3.74 H new ATOM 0 HD12 LEU A 71 8.764 2.446 -3.719 1.00 3.74 H new ATOM 0 HD13 LEU A 71 7.814 0.942 -3.659 1.00 3.74 H new ATOM 0 HD21 LEU A 71 9.780 -0.726 -5.325 1.00 3.07 H new ATOM 0 HD22 LEU A 71 8.031 -0.732 -5.651 1.00 3.07 H new ATOM 0 HD23 LEU A 71 9.178 -0.335 -6.953 1.00 3.07 H new