USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=24 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 34 TYR OH : rot -141:sc= 1.09 USER MOD Set 1.2: A 36 SER OG : rot 180:sc= 0.926 USER MOD Set 2.1: A 28 LYS NZ :NH3+ -172:sc= 2.3 (180deg=1.13) USER MOD Set 2.2: A 29 HIS : no HE2:sc= 1.64 K(o=5.1,f=-14!) USER MOD Set 2.3: A 61 THR OG1 : rot 69:sc= 1.12 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.748 USER MOD Set 3.2: A 17 SER OG : rot 92:sc= 1.06 USER MOD Set 4.1: A 13 MET CE :methyl -124:sc= -0.486 (180deg=-0.857) USER MOD Set 4.2: A 42 ASN :FLIP amide:sc= -1.11 F(o=-2.6,f=-1.6) USER MOD Single : A 14 THR OG1 : rot -38:sc= 0.86 USER MOD Single : A 18 CYS SG : rot -103:sc= 0.0898 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -0.283 F(o=-1.2,f=-0.28) USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000608) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -100:sc= 0 USER MOD Single : A 27 THR OG1 : rot -148:sc= 1.31 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.281 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.19) USER MOD Single : A 45 HIS : no HE2:sc= -1.96! X(o=-2!,f=-1.8) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 2.12 K(o=2.1,f=-15!) USER MOD Single : A 64 SER OG : rot -28:sc= 0.559 USER MOD Single : A 70 SER OG : rot -74:sc= 0.996 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 9.329 -5.629 2.757 1.00 1.10 N ATOM 47 CA VAL A 5 8.508 -4.439 2.943 1.00 1.06 C ATOM 48 C VAL A 5 8.734 -3.418 1.829 1.00 0.93 C ATOM 49 O VAL A 5 9.857 -3.249 1.353 1.00 1.40 O ATOM 50 CB VAL A 5 8.651 -3.809 4.347 1.00 1.25 C ATOM 51 CG1 VAL A 5 8.816 -4.857 5.451 1.00 2.46 C ATOM 52 CG2 VAL A 5 9.783 -2.786 4.456 1.00 1.67 C ATOM 0 HA VAL A 5 7.473 -4.773 2.876 1.00 1.06 H new ATOM 0 HB VAL A 5 7.709 -3.281 4.492 1.00 1.25 H new ATOM 0 HG11 VAL A 5 8.912 -4.358 6.415 1.00 2.46 H new ATOM 0 HG12 VAL A 5 7.944 -5.510 5.466 1.00 2.46 H new ATOM 0 HG13 VAL A 5 9.710 -5.450 5.259 1.00 2.46 H new ATOM 0 HG21 VAL A 5 9.819 -2.389 5.471 1.00 1.67 H new ATOM 0 HG22 VAL A 5 10.732 -3.267 4.221 1.00 1.67 H new ATOM 0 HG23 VAL A 5 9.606 -1.971 3.754 1.00 1.67 H new ATOM 62 N LEU A 6 7.665 -2.734 1.420 1.00 0.66 N ATOM 63 CA LEU A 6 7.709 -1.759 0.346 1.00 0.74 C ATOM 64 C LEU A 6 6.856 -0.564 0.748 1.00 0.69 C ATOM 65 O LEU A 6 5.809 -0.728 1.373 1.00 0.98 O ATOM 66 CB LEU A 6 7.220 -2.412 -0.955 1.00 0.95 C ATOM 67 CG LEU A 6 7.288 -1.505 -2.196 1.00 1.20 C ATOM 68 CD1 LEU A 6 8.716 -1.040 -2.509 1.00 2.09 C ATOM 69 CD2 LEU A 6 6.755 -2.291 -3.398 1.00 1.68 C ATOM 0 H LEU A 6 6.739 -2.847 1.833 1.00 0.66 H new ATOM 0 HA LEU A 6 8.726 -1.410 0.170 1.00 0.74 H new ATOM 0 HB2 LEU A 6 7.815 -3.306 -1.142 1.00 0.95 H new ATOM 0 HB3 LEU A 6 6.189 -2.738 -0.816 1.00 0.95 H new ATOM 0 HG LEU A 6 6.689 -0.617 -1.994 1.00 1.20 H new ATOM 0 HD11 LEU A 6 8.706 -0.403 -3.394 1.00 2.09 H new ATOM 0 HD12 LEU A 6 9.110 -0.478 -1.662 1.00 2.09 H new ATOM 0 HD13 LEU A 6 9.349 -1.908 -2.694 1.00 2.09 H new ATOM 0 HD21 LEU A 6 6.795 -1.664 -4.289 1.00 1.68 H new ATOM 0 HD22 LEU A 6 7.367 -3.180 -3.552 1.00 1.68 H new ATOM 0 HD23 LEU A 6 5.723 -2.589 -3.210 1.00 1.68 H new ATOM 81 N GLU A 7 7.326 0.633 0.401 1.00 0.62 N ATOM 82 CA GLU A 7 6.621 1.883 0.591 1.00 0.63 C ATOM 83 C GLU A 7 6.172 2.355 -0.783 1.00 0.70 C ATOM 84 O GLU A 7 7.014 2.521 -1.665 1.00 0.93 O ATOM 85 CB GLU A 7 7.565 2.910 1.217 1.00 0.70 C ATOM 86 CG GLU A 7 8.013 2.526 2.627 1.00 0.73 C ATOM 87 CD GLU A 7 9.295 3.242 3.016 1.00 1.14 C ATOM 88 OE1 GLU A 7 9.440 4.455 2.719 1.00 2.08 O ATOM 89 OE2 GLU A 7 10.200 2.575 3.559 1.00 2.38 O ATOM 0 H GLU A 7 8.240 0.755 -0.035 1.00 0.62 H new ATOM 0 HA GLU A 7 5.764 1.757 1.253 1.00 0.63 H new ATOM 0 HB2 GLU A 7 8.443 3.024 0.581 1.00 0.70 H new ATOM 0 HB3 GLU A 7 7.068 3.879 1.251 1.00 0.70 H new ATOM 0 HG2 GLU A 7 7.226 2.772 3.340 1.00 0.73 H new ATOM 0 HG3 GLU A 7 8.166 1.448 2.681 1.00 0.73 H new ATOM 96 N LEU A 8 4.871 2.574 -0.957 1.00 0.67 N ATOM 97 CA LEU A 8 4.321 3.181 -2.152 1.00 0.77 C ATOM 98 C LEU A 8 3.904 4.597 -1.755 1.00 0.61 C ATOM 99 O LEU A 8 3.133 4.761 -0.808 1.00 0.70 O ATOM 100 CB LEU A 8 3.137 2.353 -2.690 1.00 1.11 C ATOM 101 CG LEU A 8 3.414 0.848 -2.768 1.00 1.03 C ATOM 102 CD1 LEU A 8 2.099 0.137 -3.105 1.00 2.00 C ATOM 103 CD2 LEU A 8 4.475 0.557 -3.832 1.00 2.26 C ATOM 0 H LEU A 8 4.167 2.330 -0.261 1.00 0.67 H new ATOM 0 HA LEU A 8 5.049 3.214 -2.962 1.00 0.77 H new ATOM 0 HB2 LEU A 8 2.270 2.520 -2.051 1.00 1.11 H new ATOM 0 HB3 LEU A 8 2.875 2.716 -3.684 1.00 1.11 H new ATOM 0 HG LEU A 8 3.796 0.486 -1.814 1.00 1.03 H new ATOM 0 HD11 LEU A 8 2.272 -0.938 -3.166 1.00 2.00 H new ATOM 0 HD12 LEU A 8 1.364 0.343 -2.327 1.00 2.00 H new ATOM 0 HD13 LEU A 8 1.725 0.499 -4.062 1.00 2.00 H new ATOM 0 HD21 LEU A 8 4.661 -0.516 -3.876 1.00 2.26 H new ATOM 0 HD22 LEU A 8 4.121 0.904 -4.803 1.00 2.26 H new ATOM 0 HD23 LEU A 8 5.399 1.076 -3.576 1.00 2.26 H new ATOM 115 N VAL A 9 4.435 5.626 -2.418 1.00 0.56 N ATOM 116 CA VAL A 9 3.934 6.983 -2.247 1.00 0.60 C ATOM 117 C VAL A 9 2.654 7.065 -3.062 1.00 0.65 C ATOM 118 O VAL A 9 2.689 6.829 -4.266 1.00 0.85 O ATOM 119 CB VAL A 9 4.995 8.026 -2.642 1.00 0.75 C ATOM 120 CG1 VAL A 9 4.396 9.373 -3.068 1.00 0.92 C ATOM 121 CG2 VAL A 9 5.892 8.277 -1.424 1.00 0.88 C ATOM 0 H VAL A 9 5.210 5.542 -3.076 1.00 0.56 H new ATOM 0 HA VAL A 9 3.715 7.212 -1.204 1.00 0.60 H new ATOM 0 HB VAL A 9 5.541 7.624 -3.496 1.00 0.75 H new ATOM 0 HG11 VAL A 9 5.199 10.061 -3.333 1.00 0.92 H new ATOM 0 HG12 VAL A 9 3.745 9.226 -3.930 1.00 0.92 H new ATOM 0 HG13 VAL A 9 3.817 9.791 -2.244 1.00 0.92 H new ATOM 0 HG21 VAL A 9 6.654 9.014 -1.679 1.00 0.88 H new ATOM 0 HG22 VAL A 9 5.287 8.651 -0.598 1.00 0.88 H new ATOM 0 HG23 VAL A 9 6.374 7.345 -1.129 1.00 0.88 H new ATOM 131 N VAL A 10 1.529 7.331 -2.403 1.00 0.64 N ATOM 132 CA VAL A 10 0.206 7.217 -2.993 1.00 0.65 C ATOM 133 C VAL A 10 -0.454 8.588 -3.004 1.00 0.72 C ATOM 134 O VAL A 10 -0.738 9.155 -1.956 1.00 1.16 O ATOM 135 CB VAL A 10 -0.640 6.155 -2.274 1.00 0.69 C ATOM 136 CG1 VAL A 10 -0.289 4.753 -2.777 1.00 1.13 C ATOM 137 CG2 VAL A 10 -0.435 6.151 -0.764 1.00 1.25 C ATOM 0 H VAL A 10 1.515 7.636 -1.430 1.00 0.64 H new ATOM 0 HA VAL A 10 0.294 6.874 -4.024 1.00 0.65 H new ATOM 0 HB VAL A 10 -1.676 6.413 -2.494 1.00 0.69 H new ATOM 0 HG11 VAL A 10 -0.899 4.016 -2.255 1.00 1.13 H new ATOM 0 HG12 VAL A 10 -0.483 4.692 -3.848 1.00 1.13 H new ATOM 0 HG13 VAL A 10 0.765 4.552 -2.587 1.00 1.13 H new ATOM 0 HG21 VAL A 10 -1.060 5.379 -0.314 1.00 1.25 H new ATOM 0 HG22 VAL A 10 0.612 5.947 -0.539 1.00 1.25 H new ATOM 0 HG23 VAL A 10 -0.710 7.124 -0.357 1.00 1.25 H new ATOM 147 N ARG A 11 -0.710 9.127 -4.194 1.00 0.61 N ATOM 148 CA ARG A 11 -1.559 10.306 -4.331 1.00 0.69 C ATOM 149 C ARG A 11 -3.018 9.854 -4.359 1.00 0.66 C ATOM 150 O ARG A 11 -3.285 8.655 -4.338 1.00 0.92 O ATOM 151 CB ARG A 11 -1.156 11.134 -5.562 1.00 0.98 C ATOM 152 CG ARG A 11 0.229 11.775 -5.387 1.00 1.14 C ATOM 153 CD ARG A 11 0.165 13.027 -4.500 1.00 2.42 C ATOM 154 NE ARG A 11 1.513 13.484 -4.132 1.00 3.49 N ATOM 155 CZ ARG A 11 1.771 14.418 -3.204 1.00 5.20 C ATOM 156 NH1 ARG A 11 0.762 15.094 -2.642 1.00 6.21 N ATOM 157 NH2 ARG A 11 3.032 14.674 -2.842 1.00 6.36 N ATOM 0 H ARG A 11 -0.342 8.767 -5.075 1.00 0.61 H new ATOM 0 HA ARG A 11 -1.428 10.971 -3.477 1.00 0.69 H new ATOM 0 HB2 ARG A 11 -1.152 10.495 -6.445 1.00 0.98 H new ATOM 0 HB3 ARG A 11 -1.898 11.913 -5.735 1.00 0.98 H new ATOM 0 HG2 ARG A 11 0.913 11.050 -4.945 1.00 1.14 H new ATOM 0 HG3 ARG A 11 0.634 12.041 -6.364 1.00 1.14 H new ATOM 0 HD2 ARG A 11 -0.361 13.823 -5.027 1.00 2.42 H new ATOM 0 HD3 ARG A 11 -0.407 12.809 -3.598 1.00 2.42 H new ATOM 0 HE ARG A 11 2.306 13.062 -4.615 1.00 3.49 H new ATOM 0 HH11 ARG A 11 -0.200 14.899 -2.919 1.00 6.21 H new ATOM 0 HH12 ARG A 11 0.955 15.805 -1.936 1.00 6.21 H new ATOM 0 HH21 ARG A 11 3.800 14.159 -3.271 1.00 6.36 H new ATOM 0 HH22 ARG A 11 3.226 15.385 -2.136 1.00 6.36 H new ATOM 171 N GLY A 12 -3.952 10.808 -4.377 1.00 0.82 N ATOM 172 CA GLY A 12 -5.372 10.538 -4.555 1.00 0.94 C ATOM 173 C GLY A 12 -6.164 10.658 -3.253 1.00 0.92 C ATOM 174 O GLY A 12 -7.328 11.049 -3.284 1.00 1.14 O ATOM 0 H GLY A 12 -3.736 11.799 -4.267 1.00 0.82 H new ATOM 0 HA2 GLY A 12 -5.780 11.233 -5.289 1.00 0.94 H new ATOM 0 HA3 GLY A 12 -5.499 9.534 -4.961 1.00 0.94 H new ATOM 178 N MET A 13 -5.563 10.328 -2.102 1.00 0.89 N ATOM 179 CA MET A 13 -6.282 10.435 -0.839 1.00 1.06 C ATOM 180 C MET A 13 -6.696 11.886 -0.584 1.00 1.33 C ATOM 181 O MET A 13 -5.911 12.803 -0.817 1.00 2.02 O ATOM 182 CB MET A 13 -5.459 9.927 0.350 1.00 1.19 C ATOM 183 CG MET A 13 -4.956 8.487 0.186 1.00 1.08 C ATOM 184 SD MET A 13 -3.309 8.310 -0.530 1.00 2.18 S ATOM 185 CE MET A 13 -2.315 9.049 0.794 1.00 1.36 C ATOM 0 H MET A 13 -4.603 9.993 -2.025 1.00 0.89 H new ATOM 0 HA MET A 13 -7.166 9.803 -0.927 1.00 1.06 H new ATOM 0 HB2 MET A 13 -4.603 10.586 0.495 1.00 1.19 H new ATOM 0 HB3 MET A 13 -6.066 9.989 1.253 1.00 1.19 H new ATOM 0 HG2 MET A 13 -4.960 8.007 1.164 1.00 1.08 H new ATOM 0 HG3 MET A 13 -5.664 7.943 -0.439 1.00 1.08 H new ATOM 0 HE1 MET A 13 -1.716 9.864 0.388 1.00 1.36 H new ATOM 0 HE2 MET A 13 -2.974 9.436 1.571 1.00 1.36 H new ATOM 0 HE3 MET A 13 -1.657 8.292 1.220 1.00 1.36 H new ATOM 195 N THR A 14 -7.917 12.089 -0.087 1.00 1.22 N ATOM 196 CA THR A 14 -8.446 13.417 0.203 1.00 1.48 C ATOM 197 C THR A 14 -9.543 13.352 1.275 1.00 1.85 C ATOM 198 O THR A 14 -10.439 14.195 1.296 1.00 3.09 O ATOM 199 CB THR A 14 -8.904 14.086 -1.110 1.00 1.74 C ATOM 200 OG1 THR A 14 -9.384 15.392 -0.864 1.00 2.46 O ATOM 201 CG2 THR A 14 -9.986 13.283 -1.840 1.00 1.85 C ATOM 0 H THR A 14 -8.567 11.332 0.126 1.00 1.22 H new ATOM 0 HA THR A 14 -7.662 14.044 0.628 1.00 1.48 H new ATOM 0 HB THR A 14 -8.025 14.125 -1.754 1.00 1.74 H new ATOM 0 HG1 THR A 14 -9.880 15.405 -0.019 1.00 2.46 H new ATOM 0 HG21 THR A 14 -10.269 13.802 -2.756 1.00 1.85 H new ATOM 0 HG22 THR A 14 -9.600 12.294 -2.088 1.00 1.85 H new ATOM 0 HG23 THR A 14 -10.860 13.181 -1.196 1.00 1.85 H new ATOM 209 N CYS A 15 -9.474 12.365 2.175 1.00 1.33 N ATOM 210 CA CYS A 15 -10.388 12.224 3.302 1.00 1.72 C ATOM 211 C CYS A 15 -9.805 11.177 4.247 1.00 1.40 C ATOM 212 O CYS A 15 -9.260 10.188 3.757 1.00 1.96 O ATOM 213 CB CYS A 15 -11.770 11.760 2.828 1.00 2.34 C ATOM 214 SG CYS A 15 -12.795 11.484 4.294 1.00 3.47 S ATOM 0 H CYS A 15 -8.767 11.631 2.135 1.00 1.33 H new ATOM 0 HA CYS A 15 -10.504 13.186 3.801 1.00 1.72 H new ATOM 0 HB2 CYS A 15 -12.224 12.511 2.181 1.00 2.34 H new ATOM 0 HB3 CYS A 15 -11.685 10.844 2.243 1.00 2.34 H new ATOM 0 HG CYS A 15 -13.979 11.090 3.928 1.00 3.47 H new ATOM 220 N ALA A 16 -9.923 11.379 5.567 1.00 1.07 N ATOM 221 CA ALA A 16 -9.497 10.437 6.601 1.00 0.97 C ATOM 222 C ALA A 16 -9.779 8.989 6.209 1.00 0.98 C ATOM 223 O ALA A 16 -8.898 8.138 6.302 1.00 1.93 O ATOM 224 CB ALA A 16 -10.235 10.730 7.907 1.00 1.17 C ATOM 0 H ALA A 16 -10.331 12.231 5.952 1.00 1.07 H new ATOM 0 HA ALA A 16 -8.421 10.563 6.724 1.00 0.97 H new ATOM 0 HB1 ALA A 16 -9.913 10.025 8.673 1.00 1.17 H new ATOM 0 HB2 ALA A 16 -10.010 11.746 8.232 1.00 1.17 H new ATOM 0 HB3 ALA A 16 -11.309 10.629 7.749 1.00 1.17 H new ATOM 230 N SER A 17 -11.011 8.726 5.759 1.00 0.60 N ATOM 231 CA SER A 17 -11.472 7.417 5.338 1.00 0.55 C ATOM 232 C SER A 17 -10.426 6.691 4.492 1.00 0.53 C ATOM 233 O SER A 17 -10.213 5.501 4.682 1.00 0.58 O ATOM 234 CB SER A 17 -12.781 7.586 4.562 1.00 0.73 C ATOM 235 OG SER A 17 -13.624 8.491 5.253 1.00 1.57 O ATOM 0 H SER A 17 -11.729 9.446 5.679 1.00 0.60 H new ATOM 0 HA SER A 17 -11.641 6.800 6.221 1.00 0.55 H new ATOM 0 HB2 SER A 17 -12.576 7.957 3.558 1.00 0.73 H new ATOM 0 HB3 SER A 17 -13.278 6.622 4.450 1.00 0.73 H new ATOM 0 HG SER A 17 -13.470 9.400 4.921 1.00 1.57 H new ATOM 241 N CYS A 18 -9.753 7.407 3.588 1.00 0.55 N ATOM 242 CA CYS A 18 -8.745 6.843 2.693 1.00 0.57 C ATOM 243 C CYS A 18 -7.754 5.961 3.455 1.00 0.58 C ATOM 244 O CYS A 18 -7.390 4.889 2.976 1.00 0.57 O ATOM 245 CB CYS A 18 -8.009 7.947 1.928 1.00 0.66 C ATOM 246 SG CYS A 18 -9.159 8.859 0.866 1.00 0.83 S ATOM 0 H CYS A 18 -9.896 8.408 3.457 1.00 0.55 H new ATOM 0 HA CYS A 18 -9.264 6.215 1.969 1.00 0.57 H new ATOM 0 HB2 CYS A 18 -7.535 8.631 2.632 1.00 0.66 H new ATOM 0 HB3 CYS A 18 -7.214 7.510 1.323 1.00 0.66 H new ATOM 0 HG CYS A 18 -9.012 8.472 -0.366 1.00 0.83 H new ATOM 252 N VAL A 19 -7.357 6.379 4.661 1.00 0.67 N ATOM 253 CA VAL A 19 -6.467 5.614 5.517 1.00 0.71 C ATOM 254 C VAL A 19 -7.015 4.198 5.707 1.00 0.67 C ATOM 255 O VAL A 19 -6.387 3.217 5.302 1.00 0.70 O ATOM 256 CB VAL A 19 -6.261 6.344 6.859 1.00 0.82 C ATOM 257 CG1 VAL A 19 -5.358 5.552 7.814 1.00 0.94 C ATOM 258 CG2 VAL A 19 -5.634 7.725 6.632 1.00 0.90 C ATOM 0 H VAL A 19 -7.651 7.267 5.067 1.00 0.67 H new ATOM 0 HA VAL A 19 -5.489 5.527 5.043 1.00 0.71 H new ATOM 0 HB VAL A 19 -7.247 6.446 7.312 1.00 0.82 H new ATOM 0 HG11 VAL A 19 -5.241 6.105 8.746 1.00 0.94 H new ATOM 0 HG12 VAL A 19 -5.810 4.582 8.021 1.00 0.94 H new ATOM 0 HG13 VAL A 19 -4.381 5.406 7.354 1.00 0.94 H new ATOM 0 HG21 VAL A 19 -5.497 8.224 7.591 1.00 0.90 H new ATOM 0 HG22 VAL A 19 -4.668 7.610 6.141 1.00 0.90 H new ATOM 0 HG23 VAL A 19 -6.292 8.324 6.002 1.00 0.90 H new ATOM 268 N HIS A 20 -8.207 4.095 6.301 1.00 0.66 N ATOM 269 CA HIS A 20 -8.828 2.820 6.592 1.00 0.71 C ATOM 270 C HIS A 20 -9.179 2.113 5.283 1.00 0.61 C ATOM 271 O HIS A 20 -9.214 0.891 5.237 1.00 0.68 O ATOM 272 CB HIS A 20 -10.020 3.038 7.545 1.00 0.80 C ATOM 273 CG HIS A 20 -11.366 2.588 7.038 1.00 0.83 C ATOM 274 ND1 HIS A 20 -12.011 3.024 5.911 1.00 1.19 N flip ATOM 275 CD2 HIS A 20 -12.165 1.643 7.632 1.00 0.70 C flip ATOM 276 CE1 HIS A 20 -13.214 2.330 5.803 1.00 1.27 C flip ATOM 277 NE2 HIS A 20 -13.260 1.516 6.868 1.00 0.97 N flip ATOM 0 H HIS A 20 -8.762 4.901 6.590 1.00 0.66 H new ATOM 0 HA HIS A 20 -8.144 2.153 7.116 1.00 0.71 H new ATOM 0 HB2 HIS A 20 -9.813 2.515 8.479 1.00 0.80 H new ATOM 0 HB3 HIS A 20 -10.080 4.100 7.781 1.00 0.80 H new ATOM 0 HD1 HIS A 20 -11.670 3.734 5.263 1.00 1.19 H new ATOM 0 HD2 HIS A 20 -11.952 1.103 8.543 1.00 0.70 H new ATOM 0 HE1 HIS A 20 -13.955 2.427 5.024 1.00 1.27 H new ATOM 285 N LYS A 21 -9.447 2.874 4.218 1.00 0.51 N ATOM 286 CA LYS A 21 -9.779 2.330 2.915 1.00 0.53 C ATOM 287 C LYS A 21 -8.613 1.471 2.455 1.00 0.56 C ATOM 288 O LYS A 21 -8.796 0.307 2.111 1.00 0.75 O ATOM 289 CB LYS A 21 -10.086 3.468 1.925 1.00 0.55 C ATOM 290 CG LYS A 21 -11.234 3.166 0.954 1.00 0.75 C ATOM 291 CD LYS A 21 -10.878 2.060 -0.047 1.00 1.08 C ATOM 292 CE LYS A 21 -11.875 1.995 -1.214 1.00 1.45 C ATOM 293 NZ LYS A 21 -13.253 1.689 -0.777 1.00 2.92 N ATOM 0 H LYS A 21 -9.437 3.894 4.245 1.00 0.51 H new ATOM 0 HA LYS A 21 -10.675 1.712 2.969 1.00 0.53 H new ATOM 0 HB2 LYS A 21 -10.330 4.369 2.489 1.00 0.55 H new ATOM 0 HB3 LYS A 21 -9.186 3.686 1.349 1.00 0.55 H new ATOM 0 HG2 LYS A 21 -12.117 2.869 1.520 1.00 0.75 H new ATOM 0 HG3 LYS A 21 -11.495 4.074 0.410 1.00 0.75 H new ATOM 0 HD2 LYS A 21 -9.875 2.233 -0.437 1.00 1.08 H new ATOM 0 HD3 LYS A 21 -10.859 1.099 0.467 1.00 1.08 H new ATOM 0 HE2 LYS A 21 -11.870 2.948 -1.743 1.00 1.45 H new ATOM 0 HE3 LYS A 21 -11.547 1.235 -1.923 1.00 1.45 H new ATOM 0 HZ1 LYS A 21 -13.878 1.641 -1.607 1.00 2.92 H new ATOM 0 HZ2 LYS A 21 -13.265 0.775 -0.281 1.00 2.92 H new ATOM 0 HZ3 LYS A 21 -13.587 2.436 -0.135 1.00 2.92 H new ATOM 307 N ILE A 22 -7.411 2.045 2.469 1.00 0.42 N ATOM 308 CA ILE A 22 -6.228 1.359 1.989 1.00 0.37 C ATOM 309 C ILE A 22 -5.911 0.229 2.957 1.00 0.37 C ATOM 310 O ILE A 22 -5.756 -0.909 2.516 1.00 0.42 O ATOM 311 CB ILE A 22 -5.033 2.309 1.800 1.00 0.39 C ATOM 312 CG1 ILE A 22 -5.351 3.409 0.780 1.00 0.40 C ATOM 313 CG2 ILE A 22 -3.866 1.470 1.271 1.00 0.48 C ATOM 314 CD1 ILE A 22 -4.336 4.558 0.737 1.00 0.64 C ATOM 0 H ILE A 22 -7.238 2.990 2.811 1.00 0.42 H new ATOM 0 HA ILE A 22 -6.426 0.951 0.998 1.00 0.37 H new ATOM 0 HB ILE A 22 -4.795 2.788 2.750 1.00 0.39 H new ATOM 0 HG12 ILE A 22 -5.412 2.959 -0.211 1.00 0.40 H new ATOM 0 HG13 ILE A 22 -6.335 3.820 1.005 1.00 0.40 H new ATOM 0 HG21 ILE A 22 -2.996 2.109 1.123 1.00 0.48 H new ATOM 0 HG22 ILE A 22 -3.624 0.689 1.991 1.00 0.48 H new ATOM 0 HG23 ILE A 22 -4.147 1.014 0.322 1.00 0.48 H new ATOM 0 HD11 ILE A 22 -4.643 5.287 -0.013 1.00 0.64 H new ATOM 0 HD12 ILE A 22 -4.290 5.039 1.714 1.00 0.64 H new ATOM 0 HD13 ILE A 22 -3.352 4.165 0.479 1.00 0.64 H new ATOM 326 N GLU A 23 -5.839 0.543 4.259 1.00 0.48 N ATOM 327 CA GLU A 23 -5.563 -0.444 5.295 1.00 0.58 C ATOM 328 C GLU A 23 -6.460 -1.662 5.079 1.00 0.57 C ATOM 329 O GLU A 23 -5.977 -2.741 4.745 1.00 0.63 O ATOM 330 CB GLU A 23 -5.743 0.173 6.698 1.00 0.83 C ATOM 331 CG GLU A 23 -4.690 -0.331 7.700 1.00 1.33 C ATOM 332 CD GLU A 23 -4.752 -1.833 7.973 1.00 3.27 C ATOM 333 OE1 GLU A 23 -5.844 -2.414 7.790 1.00 4.72 O ATOM 334 OE2 GLU A 23 -3.696 -2.380 8.354 1.00 4.10 O ATOM 0 H GLU A 23 -5.971 1.489 4.616 1.00 0.48 H new ATOM 0 HA GLU A 23 -4.525 -0.769 5.229 1.00 0.58 H new ATOM 0 HB2 GLU A 23 -5.681 1.259 6.625 1.00 0.83 H new ATOM 0 HB3 GLU A 23 -6.739 -0.065 7.071 1.00 0.83 H new ATOM 0 HG2 GLU A 23 -3.698 -0.083 7.323 1.00 1.33 H new ATOM 0 HG3 GLU A 23 -4.816 0.203 8.642 1.00 1.33 H new ATOM 341 N SER A 24 -7.774 -1.444 5.159 1.00 0.61 N ATOM 342 CA SER A 24 -8.778 -2.500 5.130 1.00 0.75 C ATOM 343 C SER A 24 -8.724 -3.234 3.793 1.00 0.74 C ATOM 344 O SER A 24 -8.776 -4.462 3.731 1.00 0.94 O ATOM 345 CB SER A 24 -10.168 -1.905 5.398 1.00 0.82 C ATOM 346 OG SER A 24 -11.146 -2.919 5.510 1.00 1.79 O ATOM 0 H SER A 24 -8.174 -0.510 5.247 1.00 0.61 H new ATOM 0 HA SER A 24 -8.570 -3.227 5.915 1.00 0.75 H new ATOM 0 HB2 SER A 24 -10.144 -1.317 6.315 1.00 0.82 H new ATOM 0 HB3 SER A 24 -10.437 -1.225 4.590 1.00 0.82 H new ATOM 0 HG SER A 24 -12.021 -2.512 5.682 1.00 1.79 H new ATOM 352 N SER A 25 -8.600 -2.475 2.703 1.00 0.62 N ATOM 353 CA SER A 25 -8.453 -3.054 1.382 1.00 0.69 C ATOM 354 C SER A 25 -7.227 -3.961 1.302 1.00 0.61 C ATOM 355 O SER A 25 -7.235 -4.899 0.507 1.00 0.90 O ATOM 356 CB SER A 25 -8.394 -1.941 0.340 1.00 0.75 C ATOM 357 OG SER A 25 -8.380 -2.481 -0.968 1.00 1.12 O ATOM 0 H SER A 25 -8.599 -1.455 2.717 1.00 0.62 H new ATOM 0 HA SER A 25 -9.320 -3.681 1.176 1.00 0.69 H new ATOM 0 HB2 SER A 25 -9.253 -1.281 0.457 1.00 0.75 H new ATOM 0 HB3 SER A 25 -7.502 -1.335 0.498 1.00 0.75 H new ATOM 0 HG SER A 25 -7.462 -2.484 -1.311 1.00 1.12 H new ATOM 363 N LEU A 26 -6.180 -3.681 2.078 1.00 0.42 N ATOM 364 CA LEU A 26 -4.971 -4.494 2.114 1.00 0.45 C ATOM 365 C LEU A 26 -5.067 -5.677 3.080 1.00 0.50 C ATOM 366 O LEU A 26 -4.725 -6.797 2.684 1.00 0.55 O ATOM 367 CB LEU A 26 -3.735 -3.625 2.363 1.00 0.53 C ATOM 368 CG LEU A 26 -3.096 -3.299 1.005 1.00 0.72 C ATOM 369 CD1 LEU A 26 -2.106 -2.150 1.159 1.00 1.77 C ATOM 370 CD2 LEU A 26 -2.371 -4.494 0.364 1.00 2.42 C ATOM 0 H LEU A 26 -6.150 -2.876 2.704 1.00 0.42 H new ATOM 0 HA LEU A 26 -4.862 -4.946 1.128 1.00 0.45 H new ATOM 0 HB2 LEU A 26 -4.013 -2.708 2.882 1.00 0.53 H new ATOM 0 HB3 LEU A 26 -3.024 -4.149 3.002 1.00 0.53 H new ATOM 0 HG LEU A 26 -3.917 -3.024 0.343 1.00 0.72 H new ATOM 0 HD11 LEU A 26 -1.657 -1.925 0.192 1.00 1.77 H new ATOM 0 HD12 LEU A 26 -2.627 -1.268 1.531 1.00 1.77 H new ATOM 0 HD13 LEU A 26 -1.325 -2.435 1.864 1.00 1.77 H new ATOM 0 HD21 LEU A 26 -1.944 -4.191 -0.592 1.00 2.42 H new ATOM 0 HD22 LEU A 26 -1.574 -4.834 1.026 1.00 2.42 H new ATOM 0 HD23 LEU A 26 -3.080 -5.306 0.203 1.00 2.42 H new ATOM 382 N THR A 27 -5.512 -5.458 4.322 1.00 0.55 N ATOM 383 CA THR A 27 -5.610 -6.462 5.378 1.00 0.66 C ATOM 384 C THR A 27 -6.749 -7.447 5.087 1.00 0.87 C ATOM 385 O THR A 27 -7.748 -7.535 5.797 1.00 1.86 O ATOM 386 CB THR A 27 -5.732 -5.762 6.741 1.00 0.62 C ATOM 387 OG1 THR A 27 -6.642 -4.685 6.649 1.00 0.68 O ATOM 388 CG2 THR A 27 -4.364 -5.234 7.181 1.00 0.74 C ATOM 0 H THR A 27 -5.826 -4.537 4.628 1.00 0.55 H new ATOM 0 HA THR A 27 -4.702 -7.064 5.409 1.00 0.66 H new ATOM 0 HB THR A 27 -6.095 -6.482 7.475 1.00 0.62 H new ATOM 0 HG1 THR A 27 -6.367 -3.971 7.262 1.00 0.68 H new ATOM 0 HG21 THR A 27 -4.459 -4.739 8.148 1.00 0.74 H new ATOM 0 HG22 THR A 27 -3.663 -6.065 7.266 1.00 0.74 H new ATOM 0 HG23 THR A 27 -3.995 -4.522 6.443 1.00 0.74 H new ATOM 396 N LYS A 28 -6.547 -8.210 4.015 1.00 0.90 N ATOM 397 CA LYS A 28 -7.495 -9.107 3.372 1.00 0.93 C ATOM 398 C LYS A 28 -6.800 -9.962 2.307 1.00 0.92 C ATOM 399 O LYS A 28 -7.173 -11.115 2.114 1.00 1.12 O ATOM 400 CB LYS A 28 -8.696 -8.323 2.813 1.00 0.99 C ATOM 401 CG LYS A 28 -8.470 -7.516 1.525 1.00 1.15 C ATOM 402 CD LYS A 28 -8.657 -8.341 0.233 1.00 1.99 C ATOM 403 CE LYS A 28 -9.236 -7.519 -0.933 1.00 2.20 C ATOM 404 NZ LYS A 28 -8.355 -6.417 -1.369 1.00 3.82 N ATOM 0 H LYS A 28 -5.645 -8.215 3.539 1.00 0.90 H new ATOM 0 HA LYS A 28 -7.889 -9.796 4.119 1.00 0.93 H new ATOM 0 HB2 LYS A 28 -9.506 -9.030 2.631 1.00 0.99 H new ATOM 0 HB3 LYS A 28 -9.040 -7.636 3.586 1.00 0.99 H new ATOM 0 HG2 LYS A 28 -9.160 -6.673 1.510 1.00 1.15 H new ATOM 0 HG3 LYS A 28 -7.462 -7.102 1.538 1.00 1.15 H new ATOM 0 HD2 LYS A 28 -7.695 -8.757 -0.067 1.00 1.99 H new ATOM 0 HD3 LYS A 28 -9.318 -9.182 0.439 1.00 1.99 H new ATOM 0 HE2 LYS A 28 -9.421 -8.182 -1.778 1.00 2.20 H new ATOM 0 HE3 LYS A 28 -10.200 -7.107 -0.634 1.00 2.20 H new ATOM 0 HZ1 LYS A 28 -8.857 -5.823 -2.059 1.00 3.82 H new ATOM 0 HZ2 LYS A 28 -8.087 -5.840 -0.546 1.00 3.82 H new ATOM 0 HZ3 LYS A 28 -7.499 -6.810 -1.809 1.00 3.82 H new ATOM 418 N HIS A 29 -5.786 -9.417 1.615 1.00 0.79 N ATOM 419 CA HIS A 29 -5.044 -10.133 0.583 1.00 0.93 C ATOM 420 C HIS A 29 -4.468 -11.475 1.055 1.00 1.31 C ATOM 421 O HIS A 29 -4.298 -12.369 0.233 1.00 3.06 O ATOM 422 CB HIS A 29 -3.935 -9.229 0.026 1.00 0.91 C ATOM 423 CG HIS A 29 -4.428 -8.295 -1.051 1.00 0.79 C ATOM 424 ND1 HIS A 29 -4.343 -8.500 -2.415 1.00 1.44 N ATOM 425 CD2 HIS A 29 -5.279 -7.243 -0.852 1.00 0.76 C ATOM 426 CE1 HIS A 29 -5.162 -7.619 -3.008 1.00 1.91 C ATOM 427 NE2 HIS A 29 -5.781 -6.850 -2.094 1.00 1.58 N ATOM 0 H HIS A 29 -5.462 -8.461 1.762 1.00 0.79 H new ATOM 0 HA HIS A 29 -5.755 -10.381 -0.205 1.00 0.93 H new ATOM 0 HB2 HIS A 29 -3.507 -8.644 0.840 1.00 0.91 H new ATOM 0 HB3 HIS A 29 -3.134 -9.850 -0.376 1.00 0.91 H new ATOM 0 HD1 HIS A 29 -3.763 -9.195 -2.885 1.00 1.44 H new ATOM 0 HD2 HIS A 29 -5.521 -6.794 0.100 1.00 0.76 H new ATOM 0 HE1 HIS A 29 -5.305 -7.538 -4.075 1.00 1.91 H new ATOM 435 N ARG A 30 -4.137 -11.612 2.345 1.00 1.24 N ATOM 436 CA ARG A 30 -3.448 -12.787 2.875 1.00 1.29 C ATOM 437 C ARG A 30 -2.098 -12.901 2.156 1.00 1.24 C ATOM 438 O ARG A 30 -1.844 -13.813 1.373 1.00 2.57 O ATOM 439 CB ARG A 30 -4.343 -14.040 2.775 1.00 2.00 C ATOM 440 CG ARG A 30 -3.943 -15.194 3.712 1.00 2.63 C ATOM 441 CD ARG A 30 -2.590 -15.813 3.339 1.00 3.36 C ATOM 442 NE ARG A 30 -2.316 -17.059 4.069 1.00 4.22 N ATOM 443 CZ ARG A 30 -1.188 -17.773 3.913 1.00 5.31 C ATOM 444 NH1 ARG A 30 -0.256 -17.355 3.048 1.00 5.93 N ATOM 445 NH2 ARG A 30 -0.998 -18.893 4.619 1.00 6.33 N ATOM 0 H ARG A 30 -4.342 -10.905 3.051 1.00 1.24 H new ATOM 0 HA ARG A 30 -3.244 -12.689 3.941 1.00 1.29 H new ATOM 0 HB2 ARG A 30 -5.372 -13.753 2.993 1.00 2.00 H new ATOM 0 HB3 ARG A 30 -4.324 -14.402 1.747 1.00 2.00 H new ATOM 0 HG2 ARG A 30 -3.900 -14.827 4.737 1.00 2.63 H new ATOM 0 HG3 ARG A 30 -4.712 -15.966 3.682 1.00 2.63 H new ATOM 0 HD2 ARG A 30 -2.569 -16.012 2.268 1.00 3.36 H new ATOM 0 HD3 ARG A 30 -1.797 -15.094 3.545 1.00 3.36 H new ATOM 0 HE ARG A 30 -3.017 -17.399 4.727 1.00 4.22 H new ATOM 0 HH11 ARG A 30 -0.404 -16.500 2.512 1.00 5.93 H new ATOM 0 HH12 ARG A 30 0.602 -17.892 2.924 1.00 5.93 H new ATOM 0 HH21 ARG A 30 -1.710 -19.207 5.278 1.00 6.33 H new ATOM 0 HH22 ARG A 30 -0.141 -19.433 4.498 1.00 6.33 H new ATOM 459 N GLY A 31 -1.225 -11.937 2.436 1.00 0.93 N ATOM 460 CA GLY A 31 0.033 -11.759 1.733 1.00 1.18 C ATOM 461 C GLY A 31 0.744 -10.580 2.377 1.00 1.00 C ATOM 462 O GLY A 31 1.880 -10.703 2.835 1.00 1.14 O ATOM 0 H GLY A 31 -1.379 -11.248 3.172 1.00 0.93 H new ATOM 0 HA2 GLY A 31 0.643 -12.660 1.801 1.00 1.18 H new ATOM 0 HA3 GLY A 31 -0.141 -11.571 0.674 1.00 1.18 H new ATOM 466 N ILE A 32 0.005 -9.470 2.492 1.00 1.08 N ATOM 467 CA ILE A 32 0.145 -8.523 3.586 1.00 0.75 C ATOM 468 C ILE A 32 0.313 -9.292 4.897 1.00 0.87 C ATOM 469 O ILE A 32 -0.464 -10.200 5.194 1.00 1.34 O ATOM 470 CB ILE A 32 -1.091 -7.592 3.626 1.00 0.91 C ATOM 471 CG1 ILE A 32 -0.790 -6.217 3.016 1.00 0.91 C ATOM 472 CG2 ILE A 32 -1.723 -7.394 5.013 1.00 2.00 C ATOM 473 CD1 ILE A 32 -0.120 -5.249 3.986 1.00 1.72 C ATOM 0 H ILE A 32 -0.713 -9.208 1.816 1.00 1.08 H new ATOM 0 HA ILE A 32 1.028 -7.901 3.439 1.00 0.75 H new ATOM 0 HB ILE A 32 -1.826 -8.125 3.023 1.00 0.91 H new ATOM 0 HG12 ILE A 32 -0.147 -6.348 2.146 1.00 0.91 H new ATOM 0 HG13 ILE A 32 -1.721 -5.775 2.661 1.00 0.91 H new ATOM 0 HG21 ILE A 32 -2.580 -6.726 4.930 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -2.050 -8.357 5.405 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -0.987 -6.958 5.689 1.00 2.00 H new ATOM 0 HD11 ILE A 32 0.062 -4.299 3.484 1.00 1.72 H new ATOM 0 HD12 ILE A 32 -0.770 -5.087 4.846 1.00 1.72 H new ATOM 0 HD13 ILE A 32 0.828 -5.669 4.322 1.00 1.72 H new ATOM 485 N LEU A 33 1.314 -8.876 5.665 1.00 0.77 N ATOM 486 CA LEU A 33 1.474 -9.112 7.082 1.00 0.98 C ATOM 487 C LEU A 33 0.917 -7.897 7.827 1.00 0.89 C ATOM 488 O LEU A 33 0.170 -8.059 8.790 1.00 1.04 O ATOM 489 CB LEU A 33 2.969 -9.308 7.359 1.00 1.25 C ATOM 490 CG LEU A 33 3.307 -9.465 8.847 1.00 1.66 C ATOM 491 CD1 LEU A 33 2.679 -10.731 9.436 1.00 2.58 C ATOM 492 CD2 LEU A 33 4.829 -9.518 8.981 1.00 2.57 C ATOM 0 H LEU A 33 2.084 -8.328 5.281 1.00 0.77 H new ATOM 0 HA LEU A 33 0.938 -10.000 7.417 1.00 0.98 H new ATOM 0 HB2 LEU A 33 3.316 -10.191 6.822 1.00 1.25 H new ATOM 0 HB3 LEU A 33 3.518 -8.455 6.959 1.00 1.25 H new ATOM 0 HG LEU A 33 2.900 -8.619 9.401 1.00 1.66 H new ATOM 0 HD11 LEU A 33 2.940 -10.809 10.491 1.00 2.58 H new ATOM 0 HD12 LEU A 33 1.595 -10.681 9.333 1.00 2.58 H new ATOM 0 HD13 LEU A 33 3.055 -11.605 8.904 1.00 2.58 H new ATOM 0 HD21 LEU A 33 5.098 -9.630 10.031 1.00 2.57 H new ATOM 0 HD22 LEU A 33 5.215 -10.366 8.415 1.00 2.57 H new ATOM 0 HD23 LEU A 33 5.261 -8.596 8.592 1.00 2.57 H new ATOM 504 N TYR A 34 1.268 -6.678 7.389 1.00 0.72 N ATOM 505 CA TYR A 34 0.815 -5.446 8.026 1.00 0.68 C ATOM 506 C TYR A 34 0.826 -4.294 7.021 1.00 0.56 C ATOM 507 O TYR A 34 1.770 -4.177 6.243 1.00 0.61 O ATOM 508 CB TYR A 34 1.726 -5.121 9.219 1.00 0.73 C ATOM 509 CG TYR A 34 1.318 -3.876 9.983 1.00 0.80 C ATOM 510 CD1 TYR A 34 0.018 -3.776 10.516 1.00 2.18 C ATOM 511 CD2 TYR A 34 2.190 -2.774 10.060 1.00 2.01 C ATOM 512 CE1 TYR A 34 -0.441 -2.550 11.026 1.00 2.32 C ATOM 513 CE2 TYR A 34 1.748 -1.568 10.628 1.00 2.00 C ATOM 514 CZ TYR A 34 0.410 -1.433 11.032 1.00 1.12 C ATOM 515 OH TYR A 34 -0.070 -0.202 11.371 1.00 1.38 O ATOM 0 H TYR A 34 1.874 -6.526 6.583 1.00 0.72 H new ATOM 0 HA TYR A 34 -0.206 -5.581 8.382 1.00 0.68 H new ATOM 0 HB2 TYR A 34 1.730 -5.970 9.903 1.00 0.73 H new ATOM 0 HB3 TYR A 34 2.748 -4.997 8.860 1.00 0.73 H new ATOM 0 HD1 TYR A 34 -0.626 -4.642 10.533 1.00 2.18 H new ATOM 0 HD2 TYR A 34 3.199 -2.856 9.682 1.00 2.01 H new ATOM 0 HE1 TYR A 34 -1.446 -2.467 11.413 1.00 2.32 H new ATOM 0 HE2 TYR A 34 2.436 -0.745 10.754 1.00 2.00 H new ATOM 0 HH TYR A 34 0.343 0.479 10.800 1.00 1.38 H new ATOM 525 N CYS A 35 -0.207 -3.446 7.034 1.00 0.65 N ATOM 526 CA CYS A 35 -0.290 -2.242 6.213 1.00 0.62 C ATOM 527 C CYS A 35 -0.189 -1.035 7.136 1.00 0.62 C ATOM 528 O CYS A 35 -0.634 -1.106 8.279 1.00 0.87 O ATOM 529 CB CYS A 35 -1.631 -2.211 5.479 1.00 0.70 C ATOM 530 SG CYS A 35 -1.698 -0.776 4.395 1.00 2.02 S ATOM 0 H CYS A 35 -1.024 -3.583 7.629 1.00 0.65 H new ATOM 0 HA CYS A 35 0.515 -2.229 5.478 1.00 0.62 H new ATOM 0 HB2 CYS A 35 -1.759 -3.124 4.898 1.00 0.70 H new ATOM 0 HB3 CYS A 35 -2.449 -2.174 6.198 1.00 0.70 H new ATOM 0 HG CYS A 35 -2.839 -0.756 3.772 1.00 2.02 H new ATOM 536 N SER A 36 0.395 0.072 6.680 1.00 0.48 N ATOM 537 CA SER A 36 0.360 1.306 7.449 1.00 0.51 C ATOM 538 C SER A 36 0.460 2.481 6.486 1.00 0.44 C ATOM 539 O SER A 36 1.537 2.740 5.946 1.00 0.53 O ATOM 540 CB SER A 36 1.491 1.315 8.488 1.00 0.83 C ATOM 541 OG SER A 36 1.038 1.787 9.741 1.00 1.36 O ATOM 0 H SER A 36 0.892 0.136 5.791 1.00 0.48 H new ATOM 0 HA SER A 36 -0.578 1.386 7.999 1.00 0.51 H new ATOM 0 HB2 SER A 36 1.892 0.308 8.600 1.00 0.83 H new ATOM 0 HB3 SER A 36 2.307 1.945 8.134 1.00 0.83 H new ATOM 0 HG SER A 36 1.780 1.779 10.381 1.00 1.36 H new ATOM 547 N VAL A 37 -0.660 3.166 6.236 1.00 0.44 N ATOM 548 CA VAL A 37 -0.690 4.343 5.392 1.00 0.48 C ATOM 549 C VAL A 37 -0.850 5.619 6.217 1.00 0.55 C ATOM 550 O VAL A 37 -1.374 5.582 7.329 1.00 0.73 O ATOM 551 CB VAL A 37 -1.802 4.186 4.345 1.00 0.56 C ATOM 552 CG1 VAL A 37 -1.855 2.773 3.760 1.00 1.61 C ATOM 553 CG2 VAL A 37 -3.187 4.446 4.931 1.00 1.81 C ATOM 0 H VAL A 37 -1.570 2.911 6.620 1.00 0.44 H new ATOM 0 HA VAL A 37 0.263 4.437 4.872 1.00 0.48 H new ATOM 0 HB VAL A 37 -1.557 4.918 3.576 1.00 0.56 H new ATOM 0 HG11 VAL A 37 -2.658 2.713 3.025 1.00 1.61 H new ATOM 0 HG12 VAL A 37 -0.904 2.542 3.279 1.00 1.61 H new ATOM 0 HG13 VAL A 37 -2.041 2.055 4.559 1.00 1.61 H new ATOM 0 HG21 VAL A 37 -3.940 4.323 4.153 1.00 1.81 H new ATOM 0 HG22 VAL A 37 -3.380 3.738 5.737 1.00 1.81 H new ATOM 0 HG23 VAL A 37 -3.232 5.463 5.322 1.00 1.81 H new ATOM 563 N ALA A 38 -0.436 6.755 5.649 1.00 0.58 N ATOM 564 CA ALA A 38 -0.691 8.070 6.205 1.00 0.69 C ATOM 565 C ALA A 38 -0.746 9.097 5.080 1.00 0.61 C ATOM 566 O ALA A 38 0.086 9.088 4.169 1.00 0.57 O ATOM 567 CB ALA A 38 0.378 8.451 7.225 1.00 0.90 C ATOM 0 H ALA A 38 0.093 6.778 4.777 1.00 0.58 H new ATOM 0 HA ALA A 38 -1.650 8.051 6.722 1.00 0.69 H new ATOM 0 HB1 ALA A 38 0.162 9.441 7.626 1.00 0.90 H new ATOM 0 HB2 ALA A 38 0.382 7.724 8.037 1.00 0.90 H new ATOM 0 HB3 ALA A 38 1.355 8.460 6.742 1.00 0.90 H new ATOM 573 N LEU A 39 -1.732 9.993 5.164 1.00 0.65 N ATOM 574 CA LEU A 39 -1.955 11.024 4.163 1.00 0.63 C ATOM 575 C LEU A 39 -0.895 12.120 4.270 1.00 0.69 C ATOM 576 O LEU A 39 -0.399 12.587 3.250 1.00 0.75 O ATOM 577 CB LEU A 39 -3.398 11.562 4.187 1.00 0.86 C ATOM 578 CG LEU A 39 -3.887 12.162 5.520 1.00 0.80 C ATOM 579 CD1 LEU A 39 -4.775 13.379 5.238 1.00 1.53 C ATOM 580 CD2 LEU A 39 -4.708 11.150 6.332 1.00 1.49 C ATOM 0 H LEU A 39 -2.399 10.019 5.935 1.00 0.65 H new ATOM 0 HA LEU A 39 -1.841 10.570 3.179 1.00 0.63 H new ATOM 0 HB2 LEU A 39 -3.490 12.326 3.415 1.00 0.86 H new ATOM 0 HB3 LEU A 39 -4.070 10.749 3.912 1.00 0.86 H new ATOM 0 HG LEU A 39 -3.005 12.443 6.095 1.00 0.80 H new ATOM 0 HD11 LEU A 39 -5.121 13.803 6.181 1.00 1.53 H new ATOM 0 HD12 LEU A 39 -4.203 14.128 4.691 1.00 1.53 H new ATOM 0 HD13 LEU A 39 -5.634 13.072 4.641 1.00 1.53 H new ATOM 0 HD21 LEU A 39 -5.034 11.611 7.264 1.00 1.49 H new ATOM 0 HD22 LEU A 39 -5.580 10.842 5.755 1.00 1.49 H new ATOM 0 HD23 LEU A 39 -4.093 10.278 6.554 1.00 1.49 H new ATOM 592 N ALA A 40 -0.489 12.481 5.492 1.00 0.82 N ATOM 593 CA ALA A 40 0.563 13.464 5.728 1.00 1.01 C ATOM 594 C ALA A 40 1.864 13.049 5.034 1.00 1.07 C ATOM 595 O ALA A 40 2.496 13.845 4.348 1.00 1.24 O ATOM 596 CB ALA A 40 0.775 13.636 7.235 1.00 1.22 C ATOM 0 H ALA A 40 -0.887 12.094 6.348 1.00 0.82 H new ATOM 0 HA ALA A 40 0.257 14.420 5.304 1.00 1.01 H new ATOM 0 HB1 ALA A 40 1.561 14.370 7.410 1.00 1.22 H new ATOM 0 HB2 ALA A 40 -0.151 13.979 7.696 1.00 1.22 H new ATOM 0 HB3 ALA A 40 1.066 12.681 7.673 1.00 1.22 H new ATOM 602 N THR A 41 2.245 11.779 5.191 1.00 1.04 N ATOM 603 CA THR A 41 3.405 11.186 4.545 1.00 1.13 C ATOM 604 C THR A 41 3.128 10.923 3.057 1.00 0.90 C ATOM 605 O THR A 41 4.042 10.593 2.306 1.00 0.99 O ATOM 606 CB THR A 41 3.723 9.886 5.299 1.00 1.32 C ATOM 607 OG1 THR A 41 3.451 10.059 6.677 1.00 2.52 O ATOM 608 CG2 THR A 41 5.184 9.461 5.140 1.00 1.62 C ATOM 0 H THR A 41 1.739 11.124 5.787 1.00 1.04 H new ATOM 0 HA THR A 41 4.259 11.862 4.582 1.00 1.13 H new ATOM 0 HB THR A 41 3.095 9.105 4.871 1.00 1.32 H new ATOM 0 HG1 THR A 41 3.652 9.229 7.157 1.00 2.52 H new ATOM 0 HG21 THR A 41 5.356 8.537 5.692 1.00 1.62 H new ATOM 0 HG22 THR A 41 5.403 9.299 4.085 1.00 1.62 H new ATOM 0 HG23 THR A 41 5.835 10.243 5.530 1.00 1.62 H new ATOM 616 N ASN A 42 1.860 11.037 2.644 1.00 0.75 N ATOM 617 CA ASN A 42 1.347 10.687 1.333 1.00 0.74 C ATOM 618 C ASN A 42 1.795 9.281 0.931 1.00 0.63 C ATOM 619 O ASN A 42 2.197 9.040 -0.207 1.00 0.77 O ATOM 620 CB ASN A 42 1.716 11.778 0.315 1.00 1.06 C ATOM 621 CG ASN A 42 0.956 11.570 -0.982 1.00 1.46 C ATOM 622 OD1 ASN A 42 -0.368 11.586 -0.892 1.00 2.38 O flip ATOM 623 ND2 ASN A 42 1.541 11.397 -2.047 1.00 2.45 N flip ATOM 0 H ASN A 42 1.130 11.398 3.258 1.00 0.75 H new ATOM 0 HA ASN A 42 0.258 10.648 1.359 1.00 0.74 H new ATOM 0 HB2 ASN A 42 1.485 12.761 0.726 1.00 1.06 H new ATOM 0 HB3 ASN A 42 2.789 11.757 0.123 1.00 1.06 H new ATOM 0 HD21 ASN A 42 2.561 11.392 -2.074 1.00 2.45 H new ATOM 0 HD22 ASN A 42 1.008 11.259 -2.905 1.00 2.45 H new ATOM 630 N LYS A 43 1.748 8.349 1.887 1.00 0.58 N ATOM 631 CA LYS A 43 2.437 7.075 1.775 1.00 0.61 C ATOM 632 C LYS A 43 1.564 5.932 2.263 1.00 0.56 C ATOM 633 O LYS A 43 0.789 6.103 3.201 1.00 0.65 O ATOM 634 CB LYS A 43 3.764 7.146 2.547 1.00 0.74 C ATOM 635 CG LYS A 43 4.591 5.856 2.447 1.00 1.06 C ATOM 636 CD LYS A 43 5.965 6.006 3.115 1.00 0.83 C ATOM 637 CE LYS A 43 6.878 6.961 2.329 1.00 0.91 C ATOM 638 NZ LYS A 43 8.291 6.822 2.727 1.00 1.20 N ATOM 0 H LYS A 43 1.229 8.463 2.758 1.00 0.58 H new ATOM 0 HA LYS A 43 2.653 6.876 0.725 1.00 0.61 H new ATOM 0 HB2 LYS A 43 4.355 7.979 2.166 1.00 0.74 H new ATOM 0 HB3 LYS A 43 3.556 7.356 3.596 1.00 0.74 H new ATOM 0 HG2 LYS A 43 4.046 5.037 2.917 1.00 1.06 H new ATOM 0 HG3 LYS A 43 4.724 5.590 1.398 1.00 1.06 H new ATOM 0 HD2 LYS A 43 5.837 6.379 4.131 1.00 0.83 H new ATOM 0 HD3 LYS A 43 6.441 5.028 3.192 1.00 0.83 H new ATOM 0 HE2 LYS A 43 6.780 6.761 1.262 1.00 0.91 H new ATOM 0 HE3 LYS A 43 6.554 7.989 2.492 1.00 0.91 H new ATOM 0 HZ1 LYS A 43 8.876 7.471 2.162 1.00 1.20 H new ATOM 0 HZ2 LYS A 43 8.392 7.054 3.736 1.00 1.20 H new ATOM 0 HZ3 LYS A 43 8.603 5.843 2.564 1.00 1.20 H new ATOM 652 N ALA A 44 1.744 4.766 1.642 1.00 0.52 N ATOM 653 CA ALA A 44 1.280 3.474 2.102 1.00 0.54 C ATOM 654 C ALA A 44 2.504 2.580 2.262 1.00 0.55 C ATOM 655 O ALA A 44 3.135 2.262 1.255 1.00 0.69 O ATOM 656 CB ALA A 44 0.295 2.893 1.084 1.00 0.64 C ATOM 0 H ALA A 44 2.246 4.704 0.756 1.00 0.52 H new ATOM 0 HA ALA A 44 0.758 3.554 3.056 1.00 0.54 H new ATOM 0 HB1 ALA A 44 -0.054 1.920 1.430 1.00 0.64 H new ATOM 0 HB2 ALA A 44 -0.555 3.566 0.975 1.00 0.64 H new ATOM 0 HB3 ALA A 44 0.792 2.778 0.121 1.00 0.64 H new ATOM 662 N HIS A 45 2.867 2.196 3.492 1.00 0.51 N ATOM 663 CA HIS A 45 3.832 1.125 3.681 1.00 0.54 C ATOM 664 C HIS A 45 3.076 -0.192 3.728 1.00 0.48 C ATOM 665 O HIS A 45 1.990 -0.269 4.306 1.00 0.52 O ATOM 666 CB HIS A 45 4.784 1.359 4.869 1.00 0.68 C ATOM 667 CG HIS A 45 4.487 0.682 6.190 1.00 0.65 C ATOM 668 ND1 HIS A 45 4.737 1.253 7.417 1.00 0.88 N ATOM 669 CD2 HIS A 45 4.293 -0.663 6.408 1.00 0.68 C ATOM 670 CE1 HIS A 45 4.660 0.288 8.347 1.00 1.00 C ATOM 671 NE2 HIS A 45 4.386 -0.898 7.783 1.00 0.86 N ATOM 0 H HIS A 45 2.509 2.608 4.354 1.00 0.51 H new ATOM 0 HA HIS A 45 4.517 1.098 2.833 1.00 0.54 H new ATOM 0 HB2 HIS A 45 5.782 1.050 4.557 1.00 0.68 H new ATOM 0 HB3 HIS A 45 4.826 2.433 5.051 1.00 0.68 H new ATOM 0 HD1 HIS A 45 4.944 2.237 7.589 1.00 0.88 H new ATOM 0 HD2 HIS A 45 4.102 -1.407 5.649 1.00 0.68 H new ATOM 0 HE1 HIS A 45 4.800 0.445 9.406 1.00 1.00 H new ATOM 679 N ILE A 46 3.692 -1.220 3.150 1.00 0.45 N ATOM 680 CA ILE A 46 3.225 -2.585 3.170 1.00 0.41 C ATOM 681 C ILE A 46 4.374 -3.449 3.680 1.00 0.45 C ATOM 682 O ILE A 46 5.460 -3.444 3.101 1.00 0.56 O ATOM 683 CB ILE A 46 2.807 -2.995 1.754 1.00 0.52 C ATOM 684 CG1 ILE A 46 1.739 -2.049 1.173 1.00 0.63 C ATOM 685 CG2 ILE A 46 2.283 -4.433 1.701 1.00 0.69 C ATOM 686 CD1 ILE A 46 2.349 -0.964 0.284 1.00 1.05 C ATOM 0 H ILE A 46 4.566 -1.110 2.636 1.00 0.45 H new ATOM 0 HA ILE A 46 2.359 -2.706 3.820 1.00 0.41 H new ATOM 0 HB ILE A 46 3.710 -2.927 1.147 1.00 0.52 H new ATOM 0 HG12 ILE A 46 1.019 -2.628 0.594 1.00 0.63 H new ATOM 0 HG13 ILE A 46 1.189 -1.581 1.989 1.00 0.63 H new ATOM 0 HG21 ILE A 46 1.999 -4.679 0.678 1.00 0.69 H new ATOM 0 HG22 ILE A 46 3.063 -5.117 2.036 1.00 0.69 H new ATOM 0 HG23 ILE A 46 1.414 -4.528 2.352 1.00 0.69 H new ATOM 0 HD11 ILE A 46 1.557 -0.322 -0.102 1.00 1.05 H new ATOM 0 HD12 ILE A 46 3.049 -0.366 0.868 1.00 1.05 H new ATOM 0 HD13 ILE A 46 2.877 -1.430 -0.548 1.00 1.05 H new ATOM 698 N LYS A 47 4.105 -4.200 4.744 1.00 0.44 N ATOM 699 CA LYS A 47 4.848 -5.385 5.128 1.00 0.49 C ATOM 700 C LYS A 47 4.073 -6.574 4.586 1.00 0.46 C ATOM 701 O LYS A 47 2.907 -6.742 4.937 1.00 0.75 O ATOM 702 CB LYS A 47 4.952 -5.520 6.646 1.00 0.60 C ATOM 703 CG LYS A 47 5.605 -4.312 7.319 1.00 0.65 C ATOM 704 CD LYS A 47 6.140 -4.792 8.674 1.00 0.90 C ATOM 705 CE LYS A 47 6.872 -3.679 9.428 1.00 1.15 C ATOM 706 NZ LYS A 47 7.492 -4.205 10.662 1.00 2.25 N ATOM 0 H LYS A 47 3.337 -3.989 5.381 1.00 0.44 H new ATOM 0 HA LYS A 47 5.862 -5.328 4.732 1.00 0.49 H new ATOM 0 HB2 LYS A 47 3.954 -5.662 7.060 1.00 0.60 H new ATOM 0 HB3 LYS A 47 5.527 -6.415 6.885 1.00 0.60 H new ATOM 0 HG2 LYS A 47 6.413 -3.917 6.703 1.00 0.65 H new ATOM 0 HG3 LYS A 47 4.882 -3.507 7.452 1.00 0.65 H new ATOM 0 HD2 LYS A 47 5.312 -5.158 9.282 1.00 0.90 H new ATOM 0 HD3 LYS A 47 6.818 -5.632 8.519 1.00 0.90 H new ATOM 0 HE2 LYS A 47 7.638 -3.242 8.788 1.00 1.15 H new ATOM 0 HE3 LYS A 47 6.173 -2.881 9.678 1.00 1.15 H new ATOM 0 HZ1 LYS A 47 7.983 -3.435 11.159 1.00 2.25 H new ATOM 0 HZ2 LYS A 47 6.755 -4.601 11.280 1.00 2.25 H new ATOM 0 HZ3 LYS A 47 8.175 -4.950 10.417 1.00 2.25 H new ATOM 720 N TYR A 48 4.696 -7.378 3.732 1.00 0.48 N ATOM 721 CA TYR A 48 4.078 -8.493 3.041 1.00 0.43 C ATOM 722 C TYR A 48 5.170 -9.505 2.722 1.00 0.50 C ATOM 723 O TYR A 48 6.341 -9.126 2.634 1.00 0.62 O ATOM 724 CB TYR A 48 3.396 -8.012 1.750 1.00 0.46 C ATOM 725 CG TYR A 48 4.343 -7.449 0.707 1.00 0.52 C ATOM 726 CD1 TYR A 48 4.972 -6.210 0.919 1.00 1.89 C ATOM 727 CD2 TYR A 48 4.674 -8.208 -0.431 1.00 1.71 C ATOM 728 CE1 TYR A 48 5.951 -5.754 0.030 1.00 2.07 C ATOM 729 CE2 TYR A 48 5.651 -7.742 -1.326 1.00 1.73 C ATOM 730 CZ TYR A 48 6.335 -6.549 -1.058 1.00 1.08 C ATOM 731 OH TYR A 48 7.470 -6.251 -1.746 1.00 1.62 O ATOM 0 H TYR A 48 5.682 -7.263 3.496 1.00 0.48 H new ATOM 0 HA TYR A 48 3.312 -8.950 3.668 1.00 0.43 H new ATOM 0 HB2 TYR A 48 2.848 -8.846 1.312 1.00 0.46 H new ATOM 0 HB3 TYR A 48 2.662 -7.248 2.006 1.00 0.46 H new ATOM 0 HD1 TYR A 48 4.698 -5.607 1.772 1.00 1.89 H new ATOM 0 HD2 TYR A 48 4.177 -9.149 -0.616 1.00 1.71 H new ATOM 0 HE1 TYR A 48 6.411 -4.789 0.182 1.00 2.07 H new ATOM 0 HE2 TYR A 48 5.875 -8.303 -2.221 1.00 1.73 H new ATOM 0 HH TYR A 48 7.594 -6.900 -2.470 1.00 1.62 H new ATOM 741 N ASP A 49 4.794 -10.769 2.524 1.00 0.63 N ATOM 742 CA ASP A 49 5.716 -11.770 2.009 1.00 0.71 C ATOM 743 C ASP A 49 5.692 -11.677 0.480 1.00 0.72 C ATOM 744 O ASP A 49 4.633 -11.856 -0.126 1.00 0.79 O ATOM 745 CB ASP A 49 5.307 -13.157 2.507 1.00 0.89 C ATOM 746 CG ASP A 49 6.067 -14.300 1.834 1.00 2.06 C ATOM 747 OD1 ASP A 49 6.980 -14.016 1.024 1.00 3.19 O ATOM 748 OD2 ASP A 49 5.700 -15.454 2.140 1.00 3.11 O ATOM 0 H ASP A 49 3.855 -11.120 2.714 1.00 0.63 H new ATOM 0 HA ASP A 49 6.732 -11.595 2.362 1.00 0.71 H new ATOM 0 HB2 ASP A 49 5.469 -13.209 3.584 1.00 0.89 H new ATOM 0 HB3 ASP A 49 4.239 -13.294 2.338 1.00 0.89 H new ATOM 753 N PRO A 50 6.817 -11.362 -0.176 1.00 0.82 N ATOM 754 CA PRO A 50 6.850 -11.248 -1.616 1.00 0.95 C ATOM 755 C PRO A 50 6.616 -12.598 -2.293 1.00 1.16 C ATOM 756 O PRO A 50 6.028 -12.630 -3.372 1.00 1.47 O ATOM 757 CB PRO A 50 8.221 -10.656 -1.952 1.00 1.15 C ATOM 758 CG PRO A 50 9.099 -11.137 -0.796 1.00 1.23 C ATOM 759 CD PRO A 50 8.136 -11.137 0.391 1.00 1.00 C ATOM 0 HA PRO A 50 6.050 -10.608 -1.988 1.00 0.95 H new ATOM 0 HB2 PRO A 50 8.590 -11.013 -2.914 1.00 1.15 H new ATOM 0 HB3 PRO A 50 8.188 -9.568 -2.007 1.00 1.15 H new ATOM 0 HG2 PRO A 50 9.506 -12.130 -0.985 1.00 1.23 H new ATOM 0 HG3 PRO A 50 9.946 -10.472 -0.629 1.00 1.23 H new ATOM 0 HD2 PRO A 50 8.394 -11.919 1.105 1.00 1.00 H new ATOM 0 HD3 PRO A 50 8.175 -10.189 0.928 1.00 1.00 H new ATOM 767 N GLU A 51 7.029 -13.715 -1.686 1.00 1.24 N ATOM 768 CA GLU A 51 7.114 -15.000 -2.373 1.00 1.37 C ATOM 769 C GLU A 51 5.773 -15.749 -2.328 1.00 1.61 C ATOM 770 O GLU A 51 5.729 -16.976 -2.390 1.00 2.65 O ATOM 771 CB GLU A 51 8.302 -15.787 -1.792 1.00 1.31 C ATOM 772 CG GLU A 51 8.876 -16.820 -2.773 1.00 2.61 C ATOM 773 CD GLU A 51 10.245 -17.307 -2.320 1.00 2.91 C ATOM 774 OE1 GLU A 51 10.283 -18.083 -1.341 1.00 3.39 O ATOM 775 OE2 GLU A 51 11.235 -16.872 -2.946 1.00 3.64 O ATOM 0 H GLU A 51 7.312 -13.750 -0.707 1.00 1.24 H new ATOM 0 HA GLU A 51 7.307 -14.856 -3.436 1.00 1.37 H new ATOM 0 HB2 GLU A 51 9.089 -15.088 -1.507 1.00 1.31 H new ATOM 0 HB3 GLU A 51 7.983 -16.296 -0.882 1.00 1.31 H new ATOM 0 HG2 GLU A 51 8.194 -17.667 -2.854 1.00 2.61 H new ATOM 0 HG3 GLU A 51 8.955 -16.378 -3.766 1.00 2.61 H new ATOM 782 N ILE A 52 4.668 -14.998 -2.268 1.00 0.98 N ATOM 783 CA ILE A 52 3.307 -15.511 -2.355 1.00 1.02 C ATOM 784 C ILE A 52 2.421 -14.541 -3.139 1.00 0.96 C ATOM 785 O ILE A 52 1.773 -14.937 -4.104 1.00 1.26 O ATOM 786 CB ILE A 52 2.729 -15.869 -0.966 1.00 1.00 C ATOM 787 CG1 ILE A 52 2.812 -14.728 0.062 1.00 0.90 C ATOM 788 CG2 ILE A 52 3.401 -17.141 -0.424 1.00 1.22 C ATOM 789 CD1 ILE A 52 2.286 -15.151 1.438 1.00 0.92 C ATOM 0 H ILE A 52 4.703 -13.985 -2.154 1.00 0.98 H new ATOM 0 HA ILE A 52 3.330 -16.449 -2.909 1.00 1.02 H new ATOM 0 HB ILE A 52 1.665 -16.049 -1.117 1.00 1.00 H new ATOM 0 HG12 ILE A 52 3.847 -14.400 0.156 1.00 0.90 H new ATOM 0 HG13 ILE A 52 2.238 -13.874 -0.298 1.00 0.90 H new ATOM 0 HG21 ILE A 52 2.986 -17.383 0.554 1.00 1.22 H new ATOM 0 HG22 ILE A 52 3.220 -17.969 -1.110 1.00 1.22 H new ATOM 0 HG23 ILE A 52 4.474 -16.974 -0.332 1.00 1.22 H new ATOM 0 HD11 ILE A 52 2.364 -14.313 2.131 1.00 0.92 H new ATOM 0 HD12 ILE A 52 1.242 -15.454 1.351 1.00 0.92 H new ATOM 0 HD13 ILE A 52 2.877 -15.987 1.812 1.00 0.92 H new ATOM 801 N ILE A 53 2.394 -13.273 -2.723 1.00 0.70 N ATOM 802 CA ILE A 53 1.541 -12.243 -3.312 1.00 0.66 C ATOM 803 C ILE A 53 2.325 -11.385 -4.310 1.00 0.62 C ATOM 804 O ILE A 53 1.855 -11.094 -5.409 1.00 0.84 O ATOM 805 CB ILE A 53 0.865 -11.415 -2.199 1.00 0.69 C ATOM 806 CG1 ILE A 53 0.077 -10.254 -2.810 1.00 0.88 C ATOM 807 CG2 ILE A 53 1.837 -10.857 -1.148 1.00 0.67 C ATOM 808 CD1 ILE A 53 -1.071 -9.820 -1.903 1.00 1.08 C ATOM 0 H ILE A 53 2.973 -12.930 -1.957 1.00 0.70 H new ATOM 0 HA ILE A 53 0.744 -12.718 -3.885 1.00 0.66 H new ATOM 0 HB ILE A 53 0.205 -12.110 -1.681 1.00 0.69 H new ATOM 0 HG12 ILE A 53 0.745 -9.410 -2.983 1.00 0.88 H new ATOM 0 HG13 ILE A 53 -0.318 -10.552 -3.781 1.00 0.88 H new ATOM 0 HG21 ILE A 53 1.280 -10.288 -0.403 1.00 0.67 H new ATOM 0 HG22 ILE A 53 2.358 -11.681 -0.661 1.00 0.67 H new ATOM 0 HG23 ILE A 53 2.563 -10.205 -1.634 1.00 0.67 H new ATOM 0 HD11 ILE A 53 -1.609 -8.994 -2.368 1.00 1.08 H new ATOM 0 HD12 ILE A 53 -1.752 -10.658 -1.752 1.00 1.08 H new ATOM 0 HD13 ILE A 53 -0.673 -9.498 -0.941 1.00 1.08 H new ATOM 820 N GLY A 54 3.526 -10.971 -3.915 1.00 0.73 N ATOM 821 CA GLY A 54 4.345 -10.030 -4.656 1.00 0.76 C ATOM 822 C GLY A 54 3.816 -8.597 -4.510 1.00 0.75 C ATOM 823 O GLY A 54 2.649 -8.376 -4.195 1.00 0.75 O ATOM 0 H GLY A 54 3.962 -11.291 -3.050 1.00 0.73 H new ATOM 0 HA2 GLY A 54 5.373 -10.079 -4.298 1.00 0.76 H new ATOM 0 HA3 GLY A 54 4.361 -10.309 -5.710 1.00 0.76 H new ATOM 827 N PRO A 55 4.667 -7.593 -4.756 1.00 0.80 N ATOM 828 CA PRO A 55 4.271 -6.194 -4.706 1.00 0.83 C ATOM 829 C PRO A 55 3.298 -5.844 -5.840 1.00 0.76 C ATOM 830 O PRO A 55 2.551 -4.874 -5.741 1.00 0.67 O ATOM 831 CB PRO A 55 5.581 -5.412 -4.823 1.00 1.04 C ATOM 832 CG PRO A 55 6.494 -6.349 -5.617 1.00 1.02 C ATOM 833 CD PRO A 55 6.060 -7.737 -5.145 1.00 0.87 C ATOM 0 HA PRO A 55 3.736 -5.953 -3.787 1.00 0.83 H new ATOM 0 HB2 PRO A 55 5.436 -4.463 -5.339 1.00 1.04 H new ATOM 0 HB3 PRO A 55 5.999 -5.182 -3.843 1.00 1.04 H new ATOM 0 HG2 PRO A 55 6.359 -6.228 -6.692 1.00 1.02 H new ATOM 0 HG3 PRO A 55 7.547 -6.162 -5.405 1.00 1.02 H new ATOM 0 HD2 PRO A 55 6.172 -8.475 -5.939 1.00 0.87 H new ATOM 0 HD3 PRO A 55 6.669 -8.076 -4.307 1.00 0.87 H new ATOM 841 N ARG A 56 3.323 -6.614 -6.934 1.00 0.84 N ATOM 842 CA ARG A 56 2.544 -6.364 -8.138 1.00 0.85 C ATOM 843 C ARG A 56 1.044 -6.285 -7.826 1.00 0.69 C ATOM 844 O ARG A 56 0.400 -5.288 -8.159 1.00 0.69 O ATOM 845 CB ARG A 56 2.856 -7.461 -9.171 1.00 1.04 C ATOM 846 CG ARG A 56 4.337 -7.497 -9.603 1.00 2.28 C ATOM 847 CD ARG A 56 4.658 -6.674 -10.860 1.00 2.65 C ATOM 848 NE ARG A 56 4.128 -5.301 -10.782 1.00 3.54 N ATOM 849 CZ ARG A 56 3.011 -4.853 -11.381 1.00 4.49 C ATOM 850 NH1 ARG A 56 2.350 -5.605 -12.264 1.00 4.64 N ATOM 851 NH2 ARG A 56 2.520 -3.645 -11.084 1.00 6.08 N ATOM 0 H ARG A 56 3.904 -7.450 -7.001 1.00 0.84 H new ATOM 0 HA ARG A 56 2.823 -5.396 -8.555 1.00 0.85 H new ATOM 0 HB2 ARG A 56 2.584 -8.430 -8.753 1.00 1.04 H new ATOM 0 HB3 ARG A 56 2.233 -7.307 -10.052 1.00 1.04 H new ATOM 0 HG2 ARG A 56 4.951 -7.132 -8.779 1.00 2.28 H new ATOM 0 HG3 ARG A 56 4.625 -8.533 -9.780 1.00 2.28 H new ATOM 0 HD2 ARG A 56 5.738 -6.636 -11.000 1.00 2.65 H new ATOM 0 HD3 ARG A 56 4.240 -7.173 -11.734 1.00 2.65 H new ATOM 0 HE ARG A 56 4.656 -4.631 -10.223 1.00 3.54 H new ATOM 0 HH11 ARG A 56 2.691 -6.538 -12.495 1.00 4.64 H new ATOM 0 HH12 ARG A 56 1.504 -5.246 -12.707 1.00 4.64 H new ATOM 0 HH21 ARG A 56 2.994 -3.056 -10.399 1.00 6.08 H new ATOM 0 HH22 ARG A 56 1.672 -3.312 -11.543 1.00 6.08 H new ATOM 865 N ASP A 57 0.508 -7.334 -7.190 1.00 0.61 N ATOM 866 CA ASP A 57 -0.897 -7.427 -6.802 1.00 0.53 C ATOM 867 C ASP A 57 -1.297 -6.188 -6.004 1.00 0.46 C ATOM 868 O ASP A 57 -2.258 -5.488 -6.311 1.00 0.44 O ATOM 869 CB ASP A 57 -1.103 -8.680 -5.932 1.00 0.57 C ATOM 870 CG ASP A 57 -2.556 -8.822 -5.478 1.00 1.59 C ATOM 871 OD1 ASP A 57 -3.439 -8.372 -6.235 1.00 2.62 O ATOM 872 OD2 ASP A 57 -2.769 -9.362 -4.370 1.00 2.45 O ATOM 0 H ASP A 57 1.053 -8.155 -6.928 1.00 0.61 H new ATOM 0 HA ASP A 57 -1.514 -7.493 -7.698 1.00 0.53 H new ATOM 0 HB2 ASP A 57 -0.810 -9.566 -6.495 1.00 0.57 H new ATOM 0 HB3 ASP A 57 -0.453 -8.627 -5.059 1.00 0.57 H new ATOM 877 N ILE A 58 -0.500 -5.911 -4.975 1.00 0.47 N ATOM 878 CA ILE A 58 -0.691 -4.816 -4.046 1.00 0.49 C ATOM 879 C ILE A 58 -0.742 -3.487 -4.798 1.00 0.52 C ATOM 880 O ILE A 58 -1.747 -2.782 -4.724 1.00 0.51 O ATOM 881 CB ILE A 58 0.402 -4.917 -2.967 1.00 0.60 C ATOM 882 CG1 ILE A 58 0.138 -6.213 -2.169 1.00 0.67 C ATOM 883 CG2 ILE A 58 0.465 -3.674 -2.073 1.00 0.74 C ATOM 884 CD1 ILE A 58 1.102 -6.445 -1.010 1.00 0.94 C ATOM 0 H ILE A 58 0.327 -6.469 -4.763 1.00 0.47 H new ATOM 0 HA ILE A 58 -1.651 -4.873 -3.533 1.00 0.49 H new ATOM 0 HB ILE A 58 1.386 -4.961 -3.434 1.00 0.60 H new ATOM 0 HG12 ILE A 58 -0.880 -6.185 -1.779 1.00 0.67 H new ATOM 0 HG13 ILE A 58 0.195 -7.063 -2.849 1.00 0.67 H new ATOM 0 HG21 ILE A 58 1.253 -3.800 -1.330 1.00 0.74 H new ATOM 0 HG22 ILE A 58 0.679 -2.797 -2.684 1.00 0.74 H new ATOM 0 HG23 ILE A 58 -0.492 -3.540 -1.568 1.00 0.74 H new ATOM 0 HD11 ILE A 58 0.845 -7.376 -0.504 1.00 0.94 H new ATOM 0 HD12 ILE A 58 2.121 -6.508 -1.391 1.00 0.94 H new ATOM 0 HD13 ILE A 58 1.029 -5.617 -0.305 1.00 0.94 H new ATOM 896 N ILE A 59 0.306 -3.156 -5.552 1.00 0.59 N ATOM 897 CA ILE A 59 0.337 -1.941 -6.357 1.00 0.63 C ATOM 898 C ILE A 59 -0.928 -1.853 -7.222 1.00 0.60 C ATOM 899 O ILE A 59 -1.625 -0.843 -7.168 1.00 0.63 O ATOM 900 CB ILE A 59 1.655 -1.873 -7.153 1.00 0.71 C ATOM 901 CG1 ILE A 59 2.822 -1.511 -6.221 1.00 0.99 C ATOM 902 CG2 ILE A 59 1.591 -0.910 -8.347 1.00 0.82 C ATOM 903 CD1 ILE A 59 4.190 -1.824 -6.838 1.00 1.42 C ATOM 0 H ILE A 59 1.152 -3.721 -5.620 1.00 0.59 H new ATOM 0 HA ILE A 59 0.325 -1.057 -5.720 1.00 0.63 H new ATOM 0 HB ILE A 59 1.822 -2.866 -7.572 1.00 0.71 H new ATOM 0 HG12 ILE A 59 2.772 -0.450 -5.978 1.00 0.99 H new ATOM 0 HG13 ILE A 59 2.717 -2.058 -5.284 1.00 0.99 H new ATOM 0 HG21 ILE A 59 2.550 -0.908 -8.865 1.00 0.82 H new ATOM 0 HG22 ILE A 59 0.808 -1.233 -9.033 1.00 0.82 H new ATOM 0 HG23 ILE A 59 1.369 0.096 -7.991 1.00 0.82 H new ATOM 0 HD11 ILE A 59 4.977 -1.548 -6.136 1.00 1.42 H new ATOM 0 HD12 ILE A 59 4.255 -2.890 -7.056 1.00 1.42 H new ATOM 0 HD13 ILE A 59 4.311 -1.257 -7.761 1.00 1.42 H new ATOM 915 N HIS A 60 -1.265 -2.905 -7.978 1.00 0.58 N ATOM 916 CA HIS A 60 -2.449 -2.872 -8.835 1.00 0.60 C ATOM 917 C HIS A 60 -3.743 -2.721 -8.035 1.00 0.52 C ATOM 918 O HIS A 60 -4.676 -2.056 -8.481 1.00 0.53 O ATOM 919 CB HIS A 60 -2.506 -4.083 -9.768 1.00 0.67 C ATOM 920 CG HIS A 60 -1.604 -3.912 -10.960 1.00 1.17 C ATOM 921 ND1 HIS A 60 -1.638 -2.864 -11.853 1.00 2.14 N ATOM 922 CD2 HIS A 60 -0.546 -4.707 -11.296 1.00 1.55 C ATOM 923 CE1 HIS A 60 -0.613 -3.018 -12.703 1.00 2.53 C ATOM 924 NE2 HIS A 60 0.098 -4.122 -12.396 1.00 2.15 N ATOM 0 H HIS A 60 -0.739 -3.779 -8.012 1.00 0.58 H new ATOM 0 HA HIS A 60 -2.357 -1.982 -9.457 1.00 0.60 H new ATOM 0 HB2 HIS A 60 -2.217 -4.979 -9.219 1.00 0.67 H new ATOM 0 HB3 HIS A 60 -3.531 -4.233 -10.106 1.00 0.67 H new ATOM 0 HD1 HIS A 60 -2.321 -2.106 -11.865 1.00 2.14 H new ATOM 0 HD2 HIS A 60 -0.257 -5.623 -10.803 1.00 1.55 H new ATOM 0 HE1 HIS A 60 -0.388 -2.350 -13.521 1.00 2.53 H new ATOM 932 N THR A 61 -3.813 -3.310 -6.843 1.00 0.49 N ATOM 933 CA THR A 61 -4.955 -3.107 -5.972 1.00 0.47 C ATOM 934 C THR A 61 -5.067 -1.619 -5.655 1.00 0.42 C ATOM 935 O THR A 61 -6.103 -1.018 -5.913 1.00 0.46 O ATOM 936 CB THR A 61 -4.842 -3.964 -4.705 1.00 0.52 C ATOM 937 OG1 THR A 61 -4.746 -5.323 -5.070 1.00 0.64 O ATOM 938 CG2 THR A 61 -6.082 -3.799 -3.818 1.00 0.56 C ATOM 0 H THR A 61 -3.094 -3.927 -6.465 1.00 0.49 H new ATOM 0 HA THR A 61 -5.868 -3.428 -6.474 1.00 0.47 H new ATOM 0 HB THR A 61 -3.958 -3.641 -4.155 1.00 0.52 H new ATOM 0 HG1 THR A 61 -3.884 -5.484 -5.508 1.00 0.64 H new ATOM 0 HG21 THR A 61 -5.976 -4.417 -2.926 1.00 0.56 H new ATOM 0 HG22 THR A 61 -6.183 -2.754 -3.525 1.00 0.56 H new ATOM 0 HG23 THR A 61 -6.969 -4.108 -4.371 1.00 0.56 H new ATOM 946 N ILE A 62 -4.007 -1.024 -5.099 1.00 0.42 N ATOM 947 CA ILE A 62 -4.052 0.355 -4.633 1.00 0.44 C ATOM 948 C ILE A 62 -4.333 1.317 -5.793 1.00 0.48 C ATOM 949 O ILE A 62 -5.231 2.152 -5.688 1.00 0.46 O ATOM 950 CB ILE A 62 -2.793 0.687 -3.813 1.00 0.59 C ATOM 951 CG1 ILE A 62 -2.587 -0.285 -2.630 1.00 0.66 C ATOM 952 CG2 ILE A 62 -2.889 2.117 -3.271 1.00 0.74 C ATOM 953 CD1 ILE A 62 -3.876 -0.649 -1.893 1.00 1.63 C ATOM 0 H ILE A 62 -3.106 -1.483 -4.963 1.00 0.42 H new ATOM 0 HA ILE A 62 -4.890 0.485 -3.948 1.00 0.44 H new ATOM 0 HB ILE A 62 -1.939 0.586 -4.483 1.00 0.59 H new ATOM 0 HG12 ILE A 62 -2.122 -1.199 -3.000 1.00 0.66 H new ATOM 0 HG13 ILE A 62 -1.890 0.163 -1.922 1.00 0.66 H new ATOM 0 HG21 ILE A 62 -1.995 2.347 -2.691 1.00 0.74 H new ATOM 0 HG22 ILE A 62 -2.972 2.817 -4.103 1.00 0.74 H new ATOM 0 HG23 ILE A 62 -3.768 2.206 -2.633 1.00 0.74 H new ATOM 0 HD11 ILE A 62 -3.647 -1.334 -1.077 1.00 1.63 H new ATOM 0 HD12 ILE A 62 -4.333 0.255 -1.490 1.00 1.63 H new ATOM 0 HD13 ILE A 62 -4.568 -1.128 -2.586 1.00 1.63 H new ATOM 965 N GLU A 63 -3.629 1.138 -6.914 1.00 0.61 N ATOM 966 CA GLU A 63 -3.931 1.736 -8.204 1.00 0.68 C ATOM 967 C GLU A 63 -5.443 1.676 -8.457 1.00 0.68 C ATOM 968 O GLU A 63 -6.111 2.698 -8.600 1.00 0.75 O ATOM 969 CB GLU A 63 -3.116 0.928 -9.221 1.00 0.79 C ATOM 970 CG GLU A 63 -3.202 1.355 -10.679 1.00 0.95 C ATOM 971 CD GLU A 63 -2.489 0.314 -11.534 1.00 2.05 C ATOM 972 OE1 GLU A 63 -3.171 -0.644 -11.957 1.00 2.49 O ATOM 973 OE2 GLU A 63 -1.253 0.420 -11.679 1.00 3.44 O ATOM 0 H GLU A 63 -2.799 0.546 -6.942 1.00 0.61 H new ATOM 0 HA GLU A 63 -3.665 2.791 -8.268 1.00 0.68 H new ATOM 0 HB2 GLU A 63 -2.069 0.964 -8.920 1.00 0.79 H new ATOM 0 HB3 GLU A 63 -3.431 -0.113 -9.155 1.00 0.79 H new ATOM 0 HG2 GLU A 63 -4.244 1.447 -10.985 1.00 0.95 H new ATOM 0 HG3 GLU A 63 -2.743 2.334 -10.814 1.00 0.95 H new ATOM 980 N SER A 64 -6.003 0.465 -8.436 1.00 0.66 N ATOM 981 CA SER A 64 -7.420 0.232 -8.676 1.00 0.69 C ATOM 982 C SER A 64 -8.351 0.832 -7.609 1.00 0.61 C ATOM 983 O SER A 64 -9.562 0.816 -7.826 1.00 0.76 O ATOM 984 CB SER A 64 -7.685 -1.265 -8.860 1.00 0.73 C ATOM 985 OG SER A 64 -9.021 -1.487 -9.279 1.00 1.02 O ATOM 0 H SER A 64 -5.476 -0.388 -8.249 1.00 0.66 H new ATOM 0 HA SER A 64 -7.663 0.764 -9.596 1.00 0.69 H new ATOM 0 HB2 SER A 64 -6.994 -1.674 -9.597 1.00 0.73 H new ATOM 0 HB3 SER A 64 -7.500 -1.791 -7.923 1.00 0.73 H new ATOM 0 HG SER A 64 -9.593 -0.766 -8.943 1.00 1.02 H new ATOM 991 N LEU A 65 -7.849 1.345 -6.478 1.00 0.75 N ATOM 992 CA LEU A 65 -8.679 2.099 -5.537 1.00 0.82 C ATOM 993 C LEU A 65 -8.806 3.563 -5.964 1.00 0.90 C ATOM 994 O LEU A 65 -9.598 4.296 -5.372 1.00 1.07 O ATOM 995 CB LEU A 65 -8.124 2.034 -4.104 1.00 0.97 C ATOM 996 CG LEU A 65 -7.884 0.620 -3.558 1.00 1.11 C ATOM 997 CD1 LEU A 65 -7.389 0.699 -2.112 1.00 2.02 C ATOM 998 CD2 LEU A 65 -9.121 -0.278 -3.644 1.00 1.63 C ATOM 0 H LEU A 65 -6.874 1.250 -6.195 1.00 0.75 H new ATOM 0 HA LEU A 65 -9.664 1.633 -5.548 1.00 0.82 H new ATOM 0 HB2 LEU A 65 -7.183 2.583 -4.071 1.00 0.97 H new ATOM 0 HB3 LEU A 65 -8.817 2.550 -3.440 1.00 0.97 H new ATOM 0 HG LEU A 65 -7.124 0.161 -4.190 1.00 1.11 H new ATOM 0 HD11 LEU A 65 -7.220 -0.308 -1.730 1.00 2.02 H new ATOM 0 HD12 LEU A 65 -6.456 1.261 -2.077 1.00 2.02 H new ATOM 0 HD13 LEU A 65 -8.138 1.200 -1.498 1.00 2.02 H new ATOM 0 HD21 LEU A 65 -8.884 -1.263 -3.242 1.00 1.63 H new ATOM 0 HD22 LEU A 65 -9.933 0.164 -3.066 1.00 1.63 H new ATOM 0 HD23 LEU A 65 -9.428 -0.375 -4.685 1.00 1.63 H new ATOM 1010 N GLY A 66 -8.025 4.005 -6.955 1.00 0.91 N ATOM 1011 CA GLY A 66 -7.920 5.411 -7.308 1.00 0.96 C ATOM 1012 C GLY A 66 -7.046 6.142 -6.292 1.00 0.62 C ATOM 1013 O GLY A 66 -7.358 7.266 -5.897 1.00 0.70 O ATOM 0 H GLY A 66 -7.450 3.391 -7.532 1.00 0.91 H new ATOM 0 HA2 GLY A 66 -7.494 5.513 -8.306 1.00 0.96 H new ATOM 0 HA3 GLY A 66 -8.912 5.862 -7.337 1.00 0.96 H new ATOM 1017 N PHE A 67 -5.956 5.490 -5.873 1.00 0.59 N ATOM 1018 CA PHE A 67 -4.823 6.136 -5.235 1.00 0.71 C ATOM 1019 C PHE A 67 -3.590 5.713 -6.025 1.00 0.94 C ATOM 1020 O PHE A 67 -3.602 4.620 -6.587 1.00 1.31 O ATOM 1021 CB PHE A 67 -4.697 5.699 -3.772 1.00 0.82 C ATOM 1022 CG PHE A 67 -5.963 5.795 -2.942 1.00 0.73 C ATOM 1023 CD1 PHE A 67 -6.681 7.001 -2.882 1.00 1.71 C ATOM 1024 CD2 PHE A 67 -6.432 4.670 -2.244 1.00 1.74 C ATOM 1025 CE1 PHE A 67 -7.860 7.084 -2.122 1.00 1.76 C ATOM 1026 CE2 PHE A 67 -7.592 4.759 -1.457 1.00 1.70 C ATOM 1027 CZ PHE A 67 -8.301 5.970 -1.388 1.00 0.75 C ATOM 0 H PHE A 67 -5.843 4.481 -5.973 1.00 0.59 H new ATOM 0 HA PHE A 67 -4.942 7.219 -5.232 1.00 0.71 H new ATOM 0 HB2 PHE A 67 -4.348 4.667 -3.750 1.00 0.82 H new ATOM 0 HB3 PHE A 67 -3.927 6.306 -3.296 1.00 0.82 H new ATOM 0 HD1 PHE A 67 -6.326 7.867 -3.421 1.00 1.71 H new ATOM 0 HD2 PHE A 67 -5.899 3.733 -2.313 1.00 1.74 H new ATOM 0 HE1 PHE A 67 -8.427 8.003 -2.102 1.00 1.76 H new ATOM 0 HE2 PHE A 67 -7.939 3.897 -0.906 1.00 1.70 H new ATOM 0 HZ PHE A 67 -9.184 6.045 -0.771 1.00 0.75 H new ATOM 1037 N GLU A 68 -2.540 6.541 -6.070 1.00 0.82 N ATOM 1038 CA GLU A 68 -1.531 6.451 -7.126 1.00 0.76 C ATOM 1039 C GLU A 68 -0.164 5.951 -6.630 1.00 0.67 C ATOM 1040 O GLU A 68 0.691 6.786 -6.334 1.00 0.68 O ATOM 1041 CB GLU A 68 -1.405 7.816 -7.830 1.00 0.82 C ATOM 1042 CG GLU A 68 -2.742 8.545 -8.045 1.00 2.18 C ATOM 1043 CD GLU A 68 -3.740 7.701 -8.824 1.00 3.97 C ATOM 1044 OE1 GLU A 68 -3.406 7.370 -9.980 1.00 4.64 O ATOM 1045 OE2 GLU A 68 -4.806 7.408 -8.244 1.00 5.54 O ATOM 0 H GLU A 68 -2.369 7.279 -5.387 1.00 0.82 H new ATOM 0 HA GLU A 68 -1.871 5.698 -7.837 1.00 0.76 H new ATOM 0 HB2 GLU A 68 -0.747 8.455 -7.242 1.00 0.82 H new ATOM 0 HB3 GLU A 68 -0.925 7.669 -8.798 1.00 0.82 H new ATOM 0 HG2 GLU A 68 -3.169 8.809 -7.078 1.00 2.18 H new ATOM 0 HG3 GLU A 68 -2.563 9.478 -8.579 1.00 2.18 H new ATOM 1052 N PRO A 69 0.084 4.629 -6.527 1.00 0.69 N ATOM 1053 CA PRO A 69 1.301 4.084 -5.936 1.00 0.72 C ATOM 1054 C PRO A 69 2.560 4.324 -6.781 1.00 0.75 C ATOM 1055 O PRO A 69 3.009 3.450 -7.520 1.00 1.20 O ATOM 1056 CB PRO A 69 1.019 2.593 -5.716 1.00 0.80 C ATOM 1057 CG PRO A 69 -0.025 2.266 -6.776 1.00 0.79 C ATOM 1058 CD PRO A 69 -0.847 3.549 -6.821 1.00 0.80 C ATOM 0 HA PRO A 69 1.529 4.594 -5.000 1.00 0.72 H new ATOM 0 HB2 PRO A 69 1.920 1.992 -5.841 1.00 0.80 H new ATOM 0 HB3 PRO A 69 0.644 2.400 -4.711 1.00 0.80 H new ATOM 0 HG2 PRO A 69 0.430 2.040 -7.740 1.00 0.79 H new ATOM 0 HG3 PRO A 69 -0.631 1.403 -6.499 1.00 0.79 H new ATOM 0 HD2 PRO A 69 -1.306 3.685 -7.800 1.00 0.80 H new ATOM 0 HD3 PRO A 69 -1.656 3.521 -6.091 1.00 0.80 H new ATOM 1066 N SER A 70 3.179 5.489 -6.599 1.00 0.77 N ATOM 1067 CA SER A 70 4.556 5.740 -6.995 1.00 0.96 C ATOM 1068 C SER A 70 5.510 4.963 -6.083 1.00 0.81 C ATOM 1069 O SER A 70 5.192 4.679 -4.929 1.00 0.94 O ATOM 1070 CB SER A 70 4.841 7.245 -6.898 1.00 1.26 C ATOM 1071 OG SER A 70 6.188 7.541 -7.222 1.00 2.53 O ATOM 0 H SER A 70 2.728 6.295 -6.165 1.00 0.77 H new ATOM 0 HA SER A 70 4.708 5.408 -8.022 1.00 0.96 H new ATOM 0 HB2 SER A 70 4.176 7.786 -7.572 1.00 1.26 H new ATOM 0 HB3 SER A 70 4.624 7.593 -5.888 1.00 1.26 H new ATOM 0 HG SER A 70 6.770 7.270 -6.481 1.00 2.53 H new ATOM 1077 N LEU A 71 6.719 4.694 -6.583 1.00 1.20 N ATOM 1078 CA LEU A 71 7.851 4.320 -5.743 1.00 1.35 C ATOM 1079 C LEU A 71 8.303 5.534 -4.920 1.00 1.58 C ATOM 1080 O LEU A 71 7.726 6.617 -5.048 1.00 2.63 O ATOM 1081 CB LEU A 71 8.986 3.749 -6.611 1.00 2.01 C ATOM 1082 CG LEU A 71 9.506 4.741 -7.670 1.00 3.59 C ATOM 1083 CD1 LEU A 71 11.036 4.817 -7.623 1.00 4.64 C ATOM 1084 CD2 LEU A 71 9.062 4.317 -9.075 1.00 4.35 C ATOM 0 H LEU A 71 6.936 4.730 -7.579 1.00 1.20 H new ATOM 0 HA LEU A 71 7.555 3.537 -5.044 1.00 1.35 H new ATOM 0 HB2 LEU A 71 9.813 3.452 -5.966 1.00 2.01 H new ATOM 0 HB3 LEU A 71 8.632 2.847 -7.111 1.00 2.01 H new ATOM 0 HG LEU A 71 9.087 5.722 -7.446 1.00 3.59 H new ATOM 0 HD11 LEU A 71 11.389 5.521 -8.376 1.00 4.64 H new ATOM 0 HD12 LEU A 71 11.353 5.153 -6.636 1.00 4.64 H new ATOM 0 HD13 LEU A 71 11.456 3.831 -7.823 1.00 4.64 H new ATOM 0 HD21 LEU A 71 9.440 5.031 -9.807 1.00 4.35 H new ATOM 0 HD22 LEU A 71 9.457 3.326 -9.298 1.00 4.35 H new ATOM 0 HD23 LEU A 71 7.973 4.293 -9.121 1.00 4.35 H new