USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot -134:sc= 1.13 USER MOD Set 1.2: A 36 SER OG : rot 80:sc= 2.62 USER MOD Set 2.1: A 29 HIS : no HE2:sc= -0.0103 K(o=0.98,f=-5.1!) USER MOD Set 2.2: A 61 THR OG1 : rot 180:sc= 0.993 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.979 USER MOD Set 3.2: A 18 CYS SG : rot 80:sc= -0.112 USER MOD Single : A 13 MET CE :methyl 176:sc= -1.89 (180deg=-1.98) USER MOD Single : A 14 THR OG1 : rot -17:sc= 0.411 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.016) USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 1.27 (180deg=0.367) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0513 USER MOD Single : A 28 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0459) USER MOD Single : A 35 CYS SG : rot -40:sc= -0.917 USER MOD Single : A 41 THR OG1 : rot -36:sc= 0.0358 USER MOD Single : A 42 ASN : amide:sc= 0.103 K(o=0.1,f=-0.63) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 2.21 (180deg=2.1) USER MOD Single : A 45 HIS : no HE2:sc= 0.683 K(o=0.68,f=-6.5!) USER MOD Single : A 47 LYS NZ :NH3+ -113:sc=-0.00712 (180deg=-1.65!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 1.29 K(o=1.3,f=-13!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -68:sc= 0.675 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -3.810 -12.135 -1.890 1.00 0.95 N ATOM 40 CA GLY A 4 -2.558 -11.830 -1.234 1.00 1.29 C ATOM 41 C GLY A 4 -2.793 -10.667 -0.281 1.00 1.17 C ATOM 42 O GLY A 4 -2.628 -9.506 -0.659 1.00 1.81 O ATOM 0 HA2 GLY A 4 -2.192 -12.700 -0.689 1.00 1.29 H new ATOM 0 HA3 GLY A 4 -1.796 -11.571 -1.970 1.00 1.29 H new ATOM 46 N VAL A 5 -3.153 -10.988 0.962 1.00 0.88 N ATOM 47 CA VAL A 5 -3.318 -9.994 2.007 1.00 0.84 C ATOM 48 C VAL A 5 -1.925 -9.597 2.476 1.00 0.92 C ATOM 49 O VAL A 5 -1.091 -10.463 2.740 1.00 1.29 O ATOM 50 CB VAL A 5 -4.117 -10.551 3.201 1.00 1.01 C ATOM 51 CG1 VAL A 5 -4.559 -9.400 4.113 1.00 1.93 C ATOM 52 CG2 VAL A 5 -5.346 -11.350 2.763 1.00 2.64 C ATOM 0 H VAL A 5 -3.337 -11.944 1.266 1.00 0.88 H new ATOM 0 HA VAL A 5 -3.872 -9.142 1.613 1.00 0.84 H new ATOM 0 HB VAL A 5 -3.456 -11.231 3.739 1.00 1.01 H new ATOM 0 HG11 VAL A 5 -5.124 -9.800 4.955 1.00 1.93 H new ATOM 0 HG12 VAL A 5 -3.681 -8.871 4.483 1.00 1.93 H new ATOM 0 HG13 VAL A 5 -5.187 -8.710 3.550 1.00 1.93 H new ATOM 0 HG21 VAL A 5 -5.872 -11.719 3.643 1.00 2.64 H new ATOM 0 HG22 VAL A 5 -6.011 -10.708 2.186 1.00 2.64 H new ATOM 0 HG23 VAL A 5 -5.032 -12.193 2.148 1.00 2.64 H new ATOM 62 N LEU A 6 -1.666 -8.297 2.598 1.00 0.98 N ATOM 63 CA LEU A 6 -0.439 -7.804 3.188 1.00 1.20 C ATOM 64 C LEU A 6 -0.764 -6.485 3.871 1.00 0.99 C ATOM 65 O LEU A 6 -1.600 -5.731 3.378 1.00 1.25 O ATOM 66 CB LEU A 6 0.636 -7.680 2.098 1.00 1.47 C ATOM 67 CG LEU A 6 2.072 -7.510 2.614 1.00 1.84 C ATOM 68 CD1 LEU A 6 2.589 -8.796 3.272 1.00 2.89 C ATOM 69 CD2 LEU A 6 2.980 -7.173 1.423 1.00 2.05 C ATOM 0 H LEU A 6 -2.304 -7.563 2.289 1.00 0.98 H new ATOM 0 HA LEU A 6 -0.034 -8.485 3.937 1.00 1.20 H new ATOM 0 HB2 LEU A 6 0.596 -8.568 1.468 1.00 1.47 H new ATOM 0 HB3 LEU A 6 0.391 -6.828 1.464 1.00 1.47 H new ATOM 0 HG LEU A 6 2.079 -6.714 3.359 1.00 1.84 H new ATOM 0 HD11 LEU A 6 3.608 -8.639 3.626 1.00 2.89 H new ATOM 0 HD12 LEU A 6 1.949 -9.056 4.115 1.00 2.89 H new ATOM 0 HD13 LEU A 6 2.578 -9.607 2.544 1.00 2.89 H new ATOM 0 HD21 LEU A 6 4.005 -7.048 1.771 1.00 2.05 H new ATOM 0 HD22 LEU A 6 2.940 -7.983 0.694 1.00 2.05 H new ATOM 0 HD23 LEU A 6 2.640 -6.248 0.957 1.00 2.05 H new ATOM 81 N GLU A 7 -0.139 -6.217 5.016 1.00 0.92 N ATOM 82 CA GLU A 7 -0.240 -4.932 5.676 1.00 0.77 C ATOM 83 C GLU A 7 1.166 -4.518 6.078 1.00 0.81 C ATOM 84 O GLU A 7 1.811 -5.206 6.871 1.00 1.20 O ATOM 85 CB GLU A 7 -1.260 -4.975 6.820 1.00 1.04 C ATOM 86 CG GLU A 7 -1.598 -3.543 7.261 1.00 1.99 C ATOM 87 CD GLU A 7 -2.840 -3.430 8.132 1.00 2.55 C ATOM 88 OE1 GLU A 7 -3.410 -4.478 8.500 1.00 2.63 O ATOM 89 OE2 GLU A 7 -3.281 -2.275 8.319 1.00 3.98 O ATOM 0 H GLU A 7 0.450 -6.890 5.506 1.00 0.92 H new ATOM 0 HA GLU A 7 -0.634 -4.163 5.012 1.00 0.77 H new ATOM 0 HB2 GLU A 7 -2.164 -5.490 6.496 1.00 1.04 H new ATOM 0 HB3 GLU A 7 -0.856 -5.540 7.660 1.00 1.04 H new ATOM 0 HG2 GLU A 7 -0.748 -3.134 7.807 1.00 1.99 H new ATOM 0 HG3 GLU A 7 -1.734 -2.925 6.373 1.00 1.99 H new ATOM 96 N LEU A 8 1.663 -3.443 5.460 1.00 0.70 N ATOM 97 CA LEU A 8 2.994 -2.920 5.713 1.00 0.77 C ATOM 98 C LEU A 8 2.893 -1.462 6.155 1.00 0.75 C ATOM 99 O LEU A 8 1.915 -0.785 5.841 1.00 0.90 O ATOM 100 CB LEU A 8 3.938 -3.200 4.528 1.00 1.21 C ATOM 101 CG LEU A 8 3.640 -2.678 3.111 1.00 1.05 C ATOM 102 CD1 LEU A 8 2.382 -3.269 2.464 1.00 1.98 C ATOM 103 CD2 LEU A 8 3.632 -1.154 3.010 1.00 2.23 C ATOM 0 H LEU A 8 1.141 -2.911 4.764 1.00 0.70 H new ATOM 0 HA LEU A 8 3.464 -3.445 6.544 1.00 0.77 H new ATOM 0 HB2 LEU A 8 4.918 -2.812 4.807 1.00 1.21 H new ATOM 0 HB3 LEU A 8 4.034 -4.283 4.451 1.00 1.21 H new ATOM 0 HG LEU A 8 4.487 -3.044 2.531 1.00 1.05 H new ATOM 0 HD11 LEU A 8 2.251 -2.844 1.469 1.00 1.98 H new ATOM 0 HD12 LEU A 8 2.487 -4.351 2.386 1.00 1.98 H new ATOM 0 HD13 LEU A 8 1.512 -3.032 3.077 1.00 1.98 H new ATOM 0 HD21 LEU A 8 3.415 -0.859 1.983 1.00 2.23 H new ATOM 0 HD22 LEU A 8 2.867 -0.749 3.673 1.00 2.23 H new ATOM 0 HD23 LEU A 8 4.608 -0.765 3.301 1.00 2.23 H new ATOM 115 N VAL A 9 3.878 -0.992 6.920 1.00 0.73 N ATOM 116 CA VAL A 9 3.942 0.364 7.421 1.00 0.72 C ATOM 117 C VAL A 9 4.429 1.244 6.272 1.00 0.72 C ATOM 118 O VAL A 9 5.289 0.831 5.497 1.00 0.79 O ATOM 119 CB VAL A 9 4.858 0.400 8.661 1.00 0.75 C ATOM 120 CG1 VAL A 9 5.642 1.705 8.799 1.00 0.77 C ATOM 121 CG2 VAL A 9 4.008 0.187 9.919 1.00 0.74 C ATOM 0 H VAL A 9 4.670 -1.565 7.211 1.00 0.73 H new ATOM 0 HA VAL A 9 2.973 0.740 7.749 1.00 0.72 H new ATOM 0 HB VAL A 9 5.591 -0.397 8.538 1.00 0.75 H new ATOM 0 HG11 VAL A 9 6.266 1.662 9.692 1.00 0.77 H new ATOM 0 HG12 VAL A 9 6.274 1.845 7.922 1.00 0.77 H new ATOM 0 HG13 VAL A 9 4.947 2.540 8.882 1.00 0.77 H new ATOM 0 HG21 VAL A 9 4.649 0.211 10.800 1.00 0.74 H new ATOM 0 HG22 VAL A 9 3.261 0.978 9.992 1.00 0.74 H new ATOM 0 HG23 VAL A 9 3.508 -0.780 9.861 1.00 0.74 H new ATOM 131 N VAL A 10 3.855 2.441 6.156 1.00 0.75 N ATOM 132 CA VAL A 10 4.146 3.450 5.174 1.00 0.72 C ATOM 133 C VAL A 10 4.307 4.756 5.946 1.00 0.69 C ATOM 134 O VAL A 10 3.329 5.449 6.228 1.00 1.09 O ATOM 135 CB VAL A 10 2.995 3.500 4.161 1.00 0.71 C ATOM 136 CG1 VAL A 10 3.304 4.592 3.146 1.00 2.04 C ATOM 137 CG2 VAL A 10 2.842 2.154 3.448 1.00 1.77 C ATOM 0 H VAL A 10 3.122 2.739 6.800 1.00 0.75 H new ATOM 0 HA VAL A 10 5.055 3.250 4.607 1.00 0.72 H new ATOM 0 HB VAL A 10 2.060 3.713 4.678 1.00 0.71 H new ATOM 0 HG11 VAL A 10 2.498 4.647 2.414 1.00 2.04 H new ATOM 0 HG12 VAL A 10 3.395 5.550 3.658 1.00 2.04 H new ATOM 0 HG13 VAL A 10 4.241 4.362 2.638 1.00 2.04 H new ATOM 0 HG21 VAL A 10 2.020 2.212 2.734 1.00 1.77 H new ATOM 0 HG22 VAL A 10 3.765 1.915 2.920 1.00 1.77 H new ATOM 0 HG23 VAL A 10 2.632 1.376 4.181 1.00 1.77 H new ATOM 147 N ARG A 11 5.542 5.081 6.317 1.00 0.78 N ATOM 148 CA ARG A 11 5.853 6.328 6.989 1.00 0.79 C ATOM 149 C ARG A 11 5.929 7.458 5.959 1.00 0.71 C ATOM 150 O ARG A 11 6.146 7.209 4.770 1.00 0.96 O ATOM 151 CB ARG A 11 7.176 6.185 7.743 1.00 0.99 C ATOM 152 CG ARG A 11 7.097 5.225 8.936 1.00 1.63 C ATOM 153 CD ARG A 11 8.360 5.286 9.812 1.00 2.08 C ATOM 154 NE ARG A 11 9.583 4.920 9.071 1.00 2.97 N ATOM 155 CZ ARG A 11 10.385 5.754 8.380 1.00 4.10 C ATOM 156 NH1 ARG A 11 10.145 7.067 8.372 1.00 4.44 N ATOM 157 NH2 ARG A 11 11.413 5.258 7.687 1.00 5.71 N ATOM 0 H ARG A 11 6.353 4.483 6.158 1.00 0.78 H new ATOM 0 HA ARG A 11 5.070 6.569 7.708 1.00 0.79 H new ATOM 0 HB2 ARG A 11 7.943 5.833 7.053 1.00 0.99 H new ATOM 0 HB3 ARG A 11 7.492 7.166 8.096 1.00 0.99 H new ATOM 0 HG2 ARG A 11 6.224 5.470 9.541 1.00 1.63 H new ATOM 0 HG3 ARG A 11 6.957 4.207 8.573 1.00 1.63 H new ATOM 0 HD2 ARG A 11 8.471 6.293 10.214 1.00 2.08 H new ATOM 0 HD3 ARG A 11 8.240 4.615 10.663 1.00 2.08 H new ATOM 0 HE ARG A 11 9.848 3.935 9.083 1.00 2.97 H new ATOM 0 HH11 ARG A 11 9.351 7.444 8.891 1.00 4.44 H new ATOM 0 HH12 ARG A 11 10.755 7.694 7.847 1.00 4.44 H new ATOM 0 HH21 ARG A 11 11.588 4.253 7.683 1.00 5.71 H new ATOM 0 HH22 ARG A 11 12.024 5.884 7.162 1.00 5.71 H new ATOM 171 N GLY A 12 5.748 8.699 6.424 1.00 0.86 N ATOM 172 CA GLY A 12 5.790 9.901 5.601 1.00 0.91 C ATOM 173 C GLY A 12 4.389 10.412 5.257 1.00 0.84 C ATOM 174 O GLY A 12 4.258 11.485 4.670 1.00 1.07 O ATOM 0 H GLY A 12 5.564 8.894 7.408 1.00 0.86 H new ATOM 0 HA2 GLY A 12 6.341 10.681 6.127 1.00 0.91 H new ATOM 0 HA3 GLY A 12 6.335 9.691 4.681 1.00 0.91 H new ATOM 178 N MET A 13 3.338 9.667 5.620 1.00 1.05 N ATOM 179 CA MET A 13 1.960 10.037 5.340 1.00 1.05 C ATOM 180 C MET A 13 1.520 11.210 6.216 1.00 0.94 C ATOM 181 O MET A 13 0.771 11.039 7.177 1.00 1.27 O ATOM 182 CB MET A 13 1.049 8.834 5.568 1.00 1.42 C ATOM 183 CG MET A 13 1.341 7.680 4.605 1.00 0.86 C ATOM 184 SD MET A 13 0.370 6.187 4.926 1.00 1.45 S ATOM 185 CE MET A 13 -1.278 6.914 4.933 1.00 1.92 C ATOM 0 H MET A 13 3.429 8.783 6.121 1.00 1.05 H new ATOM 0 HA MET A 13 1.888 10.350 4.299 1.00 1.05 H new ATOM 0 HB2 MET A 13 1.166 8.484 6.594 1.00 1.42 H new ATOM 0 HB3 MET A 13 0.010 9.143 5.453 1.00 1.42 H new ATOM 0 HG2 MET A 13 1.148 8.014 3.586 1.00 0.86 H new ATOM 0 HG3 MET A 13 2.401 7.431 4.664 1.00 0.86 H new ATOM 0 HE1 MET A 13 -2.023 6.126 5.047 1.00 1.92 H new ATOM 0 HE2 MET A 13 -1.362 7.616 5.762 1.00 1.92 H new ATOM 0 HE3 MET A 13 -1.448 7.440 3.993 1.00 1.92 H new ATOM 195 N THR A 14 2.002 12.406 5.897 1.00 0.78 N ATOM 196 CA THR A 14 1.845 13.564 6.759 1.00 0.84 C ATOM 197 C THR A 14 0.411 14.105 6.833 1.00 0.83 C ATOM 198 O THR A 14 0.151 14.893 7.744 1.00 1.16 O ATOM 199 CB THR A 14 2.867 14.649 6.382 1.00 0.92 C ATOM 200 OG1 THR A 14 2.811 15.717 7.309 1.00 1.61 O ATOM 201 CG2 THR A 14 2.665 15.187 4.963 1.00 1.04 C ATOM 0 H THR A 14 2.511 12.596 5.034 1.00 0.78 H new ATOM 0 HA THR A 14 2.053 13.229 7.775 1.00 0.84 H new ATOM 0 HB THR A 14 3.850 14.179 6.413 1.00 0.92 H new ATOM 0 HG1 THR A 14 1.975 15.665 7.818 1.00 1.61 H new ATOM 0 HG21 THR A 14 3.415 15.950 4.753 1.00 1.04 H new ATOM 0 HG22 THR A 14 2.766 14.372 4.247 1.00 1.04 H new ATOM 0 HG23 THR A 14 1.670 15.623 4.878 1.00 1.04 H new ATOM 209 N CYS A 15 -0.499 13.763 5.909 1.00 0.60 N ATOM 210 CA CYS A 15 -1.852 14.313 5.918 1.00 0.57 C ATOM 211 C CYS A 15 -2.795 13.490 5.036 1.00 0.50 C ATOM 212 O CYS A 15 -2.371 12.566 4.339 1.00 0.49 O ATOM 213 CB CYS A 15 -1.815 15.780 5.461 1.00 0.60 C ATOM 214 SG CYS A 15 -1.388 15.998 3.718 1.00 0.61 S ATOM 0 H CYS A 15 -0.317 13.108 5.149 1.00 0.60 H new ATOM 0 HA CYS A 15 -2.239 14.266 6.936 1.00 0.57 H new ATOM 0 HB2 CYS A 15 -2.790 16.231 5.645 1.00 0.60 H new ATOM 0 HB3 CYS A 15 -1.093 16.322 6.072 1.00 0.60 H new ATOM 0 HG CYS A 15 -1.385 17.265 3.427 1.00 0.61 H new ATOM 219 N ALA A 16 -4.079 13.867 5.041 1.00 0.52 N ATOM 220 CA ALA A 16 -5.124 13.276 4.211 1.00 0.52 C ATOM 221 C ALA A 16 -4.698 13.171 2.748 1.00 0.45 C ATOM 222 O ALA A 16 -5.020 12.184 2.088 1.00 0.49 O ATOM 223 CB ALA A 16 -6.404 14.111 4.309 1.00 0.64 C ATOM 0 H ALA A 16 -4.425 14.615 5.642 1.00 0.52 H new ATOM 0 HA ALA A 16 -5.306 12.268 4.583 1.00 0.52 H new ATOM 0 HB1 ALA A 16 -7.179 13.663 3.687 1.00 0.64 H new ATOM 0 HB2 ALA A 16 -6.742 14.139 5.345 1.00 0.64 H new ATOM 0 HB3 ALA A 16 -6.204 15.126 3.965 1.00 0.64 H new ATOM 229 N SER A 17 -3.980 14.189 2.252 1.00 0.46 N ATOM 230 CA SER A 17 -3.444 14.193 0.898 1.00 0.56 C ATOM 231 C SER A 17 -2.720 12.873 0.634 1.00 0.64 C ATOM 232 O SER A 17 -2.974 12.211 -0.368 1.00 0.99 O ATOM 233 CB SER A 17 -2.520 15.394 0.657 1.00 0.85 C ATOM 234 OG SER A 17 -2.327 15.588 -0.732 1.00 2.57 O ATOM 0 H SER A 17 -3.759 15.030 2.785 1.00 0.46 H new ATOM 0 HA SER A 17 -4.272 14.291 0.196 1.00 0.56 H new ATOM 0 HB2 SER A 17 -2.953 16.291 1.101 1.00 0.85 H new ATOM 0 HB3 SER A 17 -1.560 15.228 1.146 1.00 0.85 H new ATOM 0 HG SER A 17 -1.738 16.358 -0.876 1.00 2.57 H new ATOM 240 N CYS A 18 -1.849 12.465 1.560 1.00 0.55 N ATOM 241 CA CYS A 18 -1.078 11.248 1.413 1.00 0.61 C ATOM 242 C CYS A 18 -1.996 10.030 1.348 1.00 0.56 C ATOM 243 O CYS A 18 -1.824 9.174 0.483 1.00 0.70 O ATOM 244 CB CYS A 18 -0.075 11.147 2.560 1.00 0.74 C ATOM 245 SG CYS A 18 1.038 12.575 2.701 1.00 0.89 S ATOM 0 H CYS A 18 -1.666 12.973 2.425 1.00 0.55 H new ATOM 0 HA CYS A 18 -0.525 11.275 0.474 1.00 0.61 H new ATOM 0 HB2 CYS A 18 -0.621 11.032 3.496 1.00 0.74 H new ATOM 0 HB3 CYS A 18 0.523 10.246 2.427 1.00 0.74 H new ATOM 0 HG CYS A 18 0.421 13.549 3.302 1.00 0.89 H new ATOM 250 N VAL A 19 -2.978 9.963 2.251 1.00 0.52 N ATOM 251 CA VAL A 19 -3.944 8.872 2.278 1.00 0.61 C ATOM 252 C VAL A 19 -4.579 8.704 0.897 1.00 0.51 C ATOM 253 O VAL A 19 -4.395 7.671 0.253 1.00 0.52 O ATOM 254 CB VAL A 19 -4.988 9.093 3.392 1.00 0.77 C ATOM 255 CG1 VAL A 19 -6.108 8.044 3.381 1.00 1.00 C ATOM 256 CG2 VAL A 19 -4.307 9.059 4.764 1.00 0.93 C ATOM 0 H VAL A 19 -3.122 10.663 2.979 1.00 0.52 H new ATOM 0 HA VAL A 19 -3.432 7.939 2.516 1.00 0.61 H new ATOM 0 HB VAL A 19 -5.437 10.068 3.201 1.00 0.77 H new ATOM 0 HG11 VAL A 19 -6.811 8.253 4.188 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -6.631 8.080 2.425 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -5.679 7.052 3.522 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -5.052 9.216 5.544 1.00 0.93 H new ATOM 0 HG22 VAL A 19 -3.829 8.090 4.909 1.00 0.93 H new ATOM 0 HG23 VAL A 19 -3.555 9.846 4.817 1.00 0.93 H new ATOM 266 N HIS A 20 -5.337 9.704 0.430 1.00 0.51 N ATOM 267 CA HIS A 20 -6.092 9.503 -0.803 1.00 0.58 C ATOM 268 C HIS A 20 -5.174 9.433 -2.029 1.00 0.52 C ATOM 269 O HIS A 20 -5.489 8.712 -2.973 1.00 0.57 O ATOM 270 CB HIS A 20 -7.284 10.460 -0.943 1.00 0.71 C ATOM 271 CG HIS A 20 -6.989 11.802 -1.553 1.00 0.67 C ATOM 272 ND1 HIS A 20 -7.693 12.416 -2.562 1.00 0.86 N ATOM 273 CD2 HIS A 20 -6.054 12.687 -1.109 1.00 0.71 C ATOM 274 CE1 HIS A 20 -7.175 13.647 -2.718 1.00 0.80 C ATOM 275 NE2 HIS A 20 -6.169 13.861 -1.856 1.00 0.82 N ATOM 0 H HIS A 20 -5.440 10.620 0.867 1.00 0.51 H new ATOM 0 HA HIS A 20 -6.558 8.520 -0.740 1.00 0.58 H new ATOM 0 HB2 HIS A 20 -8.048 9.970 -1.546 1.00 0.71 H new ATOM 0 HB3 HIS A 20 -7.713 10.620 0.046 1.00 0.71 H new ATOM 0 HD2 HIS A 20 -5.344 12.511 -0.314 1.00 0.71 H new ATOM 0 HE1 HIS A 20 -7.523 14.369 -3.442 1.00 0.80 H new ATOM 0 HE2 HIS A 20 -5.605 14.706 -1.765 1.00 0.82 H new ATOM 283 N LYS A 21 -4.029 10.129 -2.011 1.00 0.48 N ATOM 284 CA LYS A 21 -2.984 9.971 -3.017 1.00 0.51 C ATOM 285 C LYS A 21 -2.606 8.490 -3.129 1.00 0.41 C ATOM 286 O LYS A 21 -2.635 7.929 -4.225 1.00 0.48 O ATOM 287 CB LYS A 21 -1.790 10.866 -2.642 1.00 0.64 C ATOM 288 CG LYS A 21 -0.560 10.817 -3.557 1.00 0.91 C ATOM 289 CD LYS A 21 0.529 11.714 -2.935 1.00 1.53 C ATOM 290 CE LYS A 21 1.823 11.736 -3.764 1.00 2.20 C ATOM 291 NZ LYS A 21 2.973 12.287 -3.012 1.00 3.47 N ATOM 0 H LYS A 21 -3.806 10.819 -1.293 1.00 0.48 H new ATOM 0 HA LYS A 21 -3.334 10.287 -4.000 1.00 0.51 H new ATOM 0 HB2 LYS A 21 -2.141 11.897 -2.603 1.00 0.64 H new ATOM 0 HB3 LYS A 21 -1.472 10.599 -1.634 1.00 0.64 H new ATOM 0 HG2 LYS A 21 -0.200 9.793 -3.657 1.00 0.91 H new ATOM 0 HG3 LYS A 21 -0.815 11.165 -4.558 1.00 0.91 H new ATOM 0 HD2 LYS A 21 0.146 12.730 -2.839 1.00 1.53 H new ATOM 0 HD3 LYS A 21 0.753 11.362 -1.928 1.00 1.53 H new ATOM 0 HE2 LYS A 21 2.059 10.723 -4.089 1.00 2.20 H new ATOM 0 HE3 LYS A 21 1.664 12.331 -4.663 1.00 2.20 H new ATOM 0 HZ1 LYS A 21 3.857 11.886 -3.386 1.00 3.47 H new ATOM 0 HZ2 LYS A 21 2.992 13.322 -3.115 1.00 3.47 H new ATOM 0 HZ3 LYS A 21 2.880 12.041 -2.006 1.00 3.47 H new ATOM 305 N ILE A 22 -2.263 7.847 -2.007 1.00 0.37 N ATOM 306 CA ILE A 22 -1.932 6.429 -2.021 1.00 0.41 C ATOM 307 C ILE A 22 -3.132 5.615 -2.516 1.00 0.45 C ATOM 308 O ILE A 22 -2.995 4.922 -3.523 1.00 0.49 O ATOM 309 CB ILE A 22 -1.382 5.949 -0.664 1.00 0.43 C ATOM 310 CG1 ILE A 22 -0.036 6.626 -0.347 1.00 0.46 C ATOM 311 CG2 ILE A 22 -1.187 4.425 -0.710 1.00 0.57 C ATOM 312 CD1 ILE A 22 0.338 6.501 1.135 1.00 0.64 C ATOM 0 H ILE A 22 -2.209 8.287 -1.088 1.00 0.37 H new ATOM 0 HA ILE A 22 -1.118 6.266 -2.727 1.00 0.41 H new ATOM 0 HB ILE A 22 -2.095 6.215 0.116 1.00 0.43 H new ATOM 0 HG12 ILE A 22 0.748 6.177 -0.957 1.00 0.46 H new ATOM 0 HG13 ILE A 22 -0.088 7.680 -0.620 1.00 0.46 H new ATOM 0 HG21 ILE A 22 -0.798 4.079 0.248 1.00 0.57 H new ATOM 0 HG22 ILE A 22 -2.143 3.942 -0.909 1.00 0.57 H new ATOM 0 HG23 ILE A 22 -0.481 4.172 -1.501 1.00 0.57 H new ATOM 0 HD11 ILE A 22 1.294 6.993 1.312 1.00 0.64 H new ATOM 0 HD12 ILE A 22 -0.431 6.974 1.746 1.00 0.64 H new ATOM 0 HD13 ILE A 22 0.417 5.447 1.403 1.00 0.64 H new ATOM 324 N GLU A 23 -4.293 5.702 -1.854 1.00 0.48 N ATOM 325 CA GLU A 23 -5.468 4.900 -2.214 1.00 0.57 C ATOM 326 C GLU A 23 -5.745 4.997 -3.717 1.00 0.47 C ATOM 327 O GLU A 23 -5.780 3.990 -4.420 1.00 0.54 O ATOM 328 CB GLU A 23 -6.711 5.340 -1.423 1.00 0.78 C ATOM 329 CG GLU A 23 -6.587 5.129 0.091 1.00 1.59 C ATOM 330 CD GLU A 23 -6.912 3.704 0.523 1.00 2.31 C ATOM 331 OE1 GLU A 23 -8.110 3.368 0.491 1.00 2.56 O ATOM 332 OE2 GLU A 23 -5.968 2.947 0.851 1.00 3.88 O ATOM 0 H GLU A 23 -4.443 6.325 -1.060 1.00 0.48 H new ATOM 0 HA GLU A 23 -5.250 3.863 -1.957 1.00 0.57 H new ATOM 0 HB2 GLU A 23 -6.900 6.395 -1.619 1.00 0.78 H new ATOM 0 HB3 GLU A 23 -7.577 4.788 -1.788 1.00 0.78 H new ATOM 0 HG2 GLU A 23 -5.573 5.375 0.405 1.00 1.59 H new ATOM 0 HG3 GLU A 23 -7.256 5.820 0.604 1.00 1.59 H new ATOM 339 N SER A 24 -5.899 6.227 -4.213 1.00 0.42 N ATOM 340 CA SER A 24 -6.185 6.519 -5.611 1.00 0.48 C ATOM 341 C SER A 24 -5.122 5.916 -6.537 1.00 0.47 C ATOM 342 O SER A 24 -5.434 5.416 -7.617 1.00 0.61 O ATOM 343 CB SER A 24 -6.297 8.042 -5.782 1.00 0.60 C ATOM 344 OG SER A 24 -6.703 8.384 -7.093 1.00 0.91 O ATOM 0 H SER A 24 -5.826 7.065 -3.636 1.00 0.42 H new ATOM 0 HA SER A 24 -7.131 6.059 -5.894 1.00 0.48 H new ATOM 0 HB2 SER A 24 -7.013 8.439 -5.062 1.00 0.60 H new ATOM 0 HB3 SER A 24 -5.335 8.506 -5.564 1.00 0.60 H new ATOM 0 HG SER A 24 -6.767 9.359 -7.172 1.00 0.91 H new ATOM 350 N SER A 25 -3.850 5.960 -6.130 1.00 0.48 N ATOM 351 CA SER A 25 -2.780 5.393 -6.935 1.00 0.64 C ATOM 352 C SER A 25 -2.868 3.872 -6.915 1.00 0.71 C ATOM 353 O SER A 25 -2.538 3.225 -7.907 1.00 0.97 O ATOM 354 CB SER A 25 -1.423 5.848 -6.407 1.00 0.77 C ATOM 355 OG SER A 25 -0.405 5.498 -7.328 1.00 1.51 O ATOM 0 H SER A 25 -3.544 6.381 -5.253 1.00 0.48 H new ATOM 0 HA SER A 25 -2.888 5.742 -7.962 1.00 0.64 H new ATOM 0 HB2 SER A 25 -1.428 6.927 -6.249 1.00 0.77 H new ATOM 0 HB3 SER A 25 -1.225 5.385 -5.440 1.00 0.77 H new ATOM 0 HG SER A 25 0.463 5.794 -6.984 1.00 1.51 H new ATOM 361 N LEU A 26 -3.255 3.314 -5.767 1.00 0.76 N ATOM 362 CA LEU A 26 -3.363 1.889 -5.569 1.00 0.98 C ATOM 363 C LEU A 26 -4.489 1.314 -6.426 1.00 0.84 C ATOM 364 O LEU A 26 -4.205 0.478 -7.286 1.00 0.77 O ATOM 365 CB LEU A 26 -3.525 1.554 -4.086 1.00 1.21 C ATOM 366 CG LEU A 26 -2.200 1.575 -3.306 1.00 1.34 C ATOM 367 CD1 LEU A 26 -2.489 1.343 -1.821 1.00 3.24 C ATOM 368 CD2 LEU A 26 -1.210 0.495 -3.760 1.00 1.55 C ATOM 0 H LEU A 26 -3.504 3.859 -4.942 1.00 0.76 H new ATOM 0 HA LEU A 26 -2.437 1.416 -5.896 1.00 0.98 H new ATOM 0 HB2 LEU A 26 -4.215 2.266 -3.634 1.00 1.21 H new ATOM 0 HB3 LEU A 26 -3.978 0.567 -3.992 1.00 1.21 H new ATOM 0 HG LEU A 26 -1.746 2.548 -3.493 1.00 1.34 H new ATOM 0 HD11 LEU A 26 -1.553 1.357 -1.262 1.00 3.24 H new ATOM 0 HD12 LEU A 26 -3.145 2.131 -1.451 1.00 3.24 H new ATOM 0 HD13 LEU A 26 -2.975 0.376 -1.692 1.00 3.24 H new ATOM 0 HD21 LEU A 26 -0.297 0.566 -3.169 1.00 1.55 H new ATOM 0 HD22 LEU A 26 -1.656 -0.490 -3.621 1.00 1.55 H new ATOM 0 HD23 LEU A 26 -0.972 0.640 -4.814 1.00 1.55 H new ATOM 380 N THR A 27 -5.743 1.735 -6.202 1.00 0.86 N ATOM 381 CA THR A 27 -6.948 1.175 -6.824 1.00 0.88 C ATOM 382 C THR A 27 -7.033 1.528 -8.317 1.00 0.93 C ATOM 383 O THR A 27 -7.903 2.270 -8.768 1.00 1.91 O ATOM 384 CB THR A 27 -8.189 1.642 -6.047 1.00 1.04 C ATOM 385 OG1 THR A 27 -8.084 3.022 -5.763 1.00 1.72 O ATOM 386 CG2 THR A 27 -8.298 0.881 -4.724 1.00 1.94 C ATOM 0 H THR A 27 -5.951 2.501 -5.561 1.00 0.86 H new ATOM 0 HA THR A 27 -6.899 0.087 -6.774 1.00 0.88 H new ATOM 0 HB THR A 27 -9.072 1.451 -6.657 1.00 1.04 H new ATOM 0 HG1 THR A 27 -8.878 3.316 -5.269 1.00 1.72 H new ATOM 0 HG21 THR A 27 -9.181 1.219 -4.181 1.00 1.94 H new ATOM 0 HG22 THR A 27 -8.383 -0.187 -4.925 1.00 1.94 H new ATOM 0 HG23 THR A 27 -7.408 1.068 -4.122 1.00 1.94 H new ATOM 394 N LYS A 28 -6.085 0.994 -9.082 1.00 1.44 N ATOM 395 CA LYS A 28 -5.591 1.583 -10.307 1.00 0.95 C ATOM 396 C LYS A 28 -4.575 0.618 -10.925 1.00 0.72 C ATOM 397 O LYS A 28 -4.683 0.304 -12.112 1.00 0.86 O ATOM 398 CB LYS A 28 -5.035 2.970 -9.946 1.00 1.50 C ATOM 399 CG LYS A 28 -3.824 3.481 -10.721 1.00 1.41 C ATOM 400 CD LYS A 28 -4.161 3.789 -12.188 1.00 2.21 C ATOM 401 CE LYS A 28 -3.133 4.738 -12.818 1.00 3.11 C ATOM 402 NZ LYS A 28 -1.749 4.233 -12.703 1.00 4.16 N ATOM 0 H LYS A 28 -5.630 0.111 -8.852 1.00 1.44 H new ATOM 0 HA LYS A 28 -6.357 1.734 -11.067 1.00 0.95 H new ATOM 0 HB2 LYS A 28 -5.840 3.695 -10.069 1.00 1.50 H new ATOM 0 HB3 LYS A 28 -4.774 2.960 -8.888 1.00 1.50 H new ATOM 0 HG2 LYS A 28 -3.441 4.382 -10.241 1.00 1.41 H new ATOM 0 HG3 LYS A 28 -3.029 2.736 -10.681 1.00 1.41 H new ATOM 0 HD2 LYS A 28 -4.195 2.860 -12.757 1.00 2.21 H new ATOM 0 HD3 LYS A 28 -5.153 4.236 -12.248 1.00 2.21 H new ATOM 0 HE2 LYS A 28 -3.376 4.884 -13.870 1.00 3.11 H new ATOM 0 HE3 LYS A 28 -3.201 5.713 -12.336 1.00 3.11 H new ATOM 0 HZ1 LYS A 28 -1.111 4.838 -13.259 1.00 4.16 H new ATOM 0 HZ2 LYS A 28 -1.457 4.246 -11.705 1.00 4.16 H new ATOM 0 HZ3 LYS A 28 -1.704 3.259 -13.064 1.00 4.16 H new ATOM 416 N HIS A 29 -3.614 0.104 -10.145 1.00 0.65 N ATOM 417 CA HIS A 29 -2.819 -1.025 -10.614 1.00 0.79 C ATOM 418 C HIS A 29 -3.703 -2.275 -10.567 1.00 1.01 C ATOM 419 O HIS A 29 -3.781 -2.946 -9.539 1.00 1.89 O ATOM 420 CB HIS A 29 -1.524 -1.223 -9.808 1.00 0.92 C ATOM 421 CG HIS A 29 -0.907 0.020 -9.235 1.00 0.95 C ATOM 422 ND1 HIS A 29 -0.133 0.939 -9.902 1.00 1.79 N ATOM 423 CD2 HIS A 29 -0.889 0.341 -7.907 1.00 1.32 C ATOM 424 CE1 HIS A 29 0.319 1.814 -8.986 1.00 1.83 C ATOM 425 NE2 HIS A 29 -0.087 1.473 -7.752 1.00 1.54 N ATOM 0 H HIS A 29 -3.377 0.444 -9.213 1.00 0.65 H new ATOM 0 HA HIS A 29 -2.492 -0.826 -11.635 1.00 0.79 H new ATOM 0 HB2 HIS A 29 -1.731 -1.912 -8.989 1.00 0.92 H new ATOM 0 HB3 HIS A 29 -0.789 -1.705 -10.452 1.00 0.92 H new ATOM 0 HD1 HIS A 29 0.062 0.955 -10.903 1.00 1.79 H new ATOM 0 HD2 HIS A 29 -1.404 -0.187 -7.118 1.00 1.32 H new ATOM 0 HE1 HIS A 29 0.928 2.677 -9.213 1.00 1.83 H new ATOM 433 N ARG A 30 -4.404 -2.571 -11.664 1.00 0.85 N ATOM 434 CA ARG A 30 -5.223 -3.772 -11.764 1.00 0.98 C ATOM 435 C ARG A 30 -4.386 -4.995 -11.383 1.00 1.34 C ATOM 436 O ARG A 30 -3.514 -5.408 -12.143 1.00 3.21 O ATOM 437 CB ARG A 30 -5.782 -3.935 -13.185 1.00 1.21 C ATOM 438 CG ARG A 30 -6.732 -2.800 -13.584 1.00 2.03 C ATOM 439 CD ARG A 30 -7.364 -3.131 -14.944 1.00 2.71 C ATOM 440 NE ARG A 30 -8.279 -2.073 -15.401 1.00 3.85 N ATOM 441 CZ ARG A 30 -7.913 -0.954 -16.050 1.00 5.19 C ATOM 442 NH1 ARG A 30 -6.617 -0.690 -16.244 1.00 5.89 N ATOM 443 NH2 ARG A 30 -8.846 -0.107 -16.500 1.00 6.44 N ATOM 0 H ARG A 30 -4.418 -1.987 -12.500 1.00 0.85 H new ATOM 0 HA ARG A 30 -6.065 -3.680 -11.077 1.00 0.98 H new ATOM 0 HB2 ARG A 30 -4.955 -3.976 -13.893 1.00 1.21 H new ATOM 0 HB3 ARG A 30 -6.310 -4.886 -13.256 1.00 1.21 H new ATOM 0 HG2 ARG A 30 -7.508 -2.676 -12.829 1.00 2.03 H new ATOM 0 HG3 ARG A 30 -6.189 -1.857 -13.641 1.00 2.03 H new ATOM 0 HD2 ARG A 30 -6.577 -3.273 -15.684 1.00 2.71 H new ATOM 0 HD3 ARG A 30 -7.907 -4.073 -14.871 1.00 2.71 H new ATOM 0 HE ARG A 30 -9.273 -2.199 -15.210 1.00 3.85 H new ATOM 0 HH11 ARG A 30 -5.908 -1.337 -15.900 1.00 5.89 H new ATOM 0 HH12 ARG A 30 -6.337 0.159 -16.736 1.00 5.89 H new ATOM 0 HH21 ARG A 30 -9.834 -0.311 -16.351 1.00 6.44 H new ATOM 0 HH22 ARG A 30 -8.569 0.742 -16.992 1.00 6.44 H new ATOM 457 N GLY A 31 -4.626 -5.526 -10.186 1.00 0.83 N ATOM 458 CA GLY A 31 -3.722 -6.455 -9.536 1.00 0.68 C ATOM 459 C GLY A 31 -3.866 -6.303 -8.028 1.00 0.66 C ATOM 460 O GLY A 31 -4.016 -7.297 -7.320 1.00 0.94 O ATOM 0 H GLY A 31 -5.462 -5.318 -9.640 1.00 0.83 H new ATOM 0 HA2 GLY A 31 -3.951 -7.478 -9.836 1.00 0.68 H new ATOM 0 HA3 GLY A 31 -2.694 -6.256 -9.839 1.00 0.68 H new ATOM 464 N ILE A 32 -3.924 -5.056 -7.540 1.00 0.81 N ATOM 465 CA ILE A 32 -4.443 -4.814 -6.208 1.00 0.76 C ATOM 466 C ILE A 32 -5.962 -4.909 -6.340 1.00 0.73 C ATOM 467 O ILE A 32 -6.541 -4.368 -7.282 1.00 1.02 O ATOM 468 CB ILE A 32 -3.899 -3.507 -5.585 1.00 0.97 C ATOM 469 CG1 ILE A 32 -4.734 -3.012 -4.393 1.00 2.48 C ATOM 470 CG2 ILE A 32 -3.617 -2.382 -6.575 1.00 1.63 C ATOM 471 CD1 ILE A 32 -5.869 -2.066 -4.804 1.00 2.50 C ATOM 0 H ILE A 32 -3.622 -4.222 -8.044 1.00 0.81 H new ATOM 0 HA ILE A 32 -4.101 -5.554 -5.484 1.00 0.76 H new ATOM 0 HB ILE A 32 -2.921 -3.803 -5.204 1.00 0.97 H new ATOM 0 HG12 ILE A 32 -5.156 -3.871 -3.871 1.00 2.48 H new ATOM 0 HG13 ILE A 32 -4.080 -2.500 -3.687 1.00 2.48 H new ATOM 0 HG21 ILE A 32 -3.240 -1.511 -6.039 1.00 1.63 H new ATOM 0 HG22 ILE A 32 -2.872 -2.713 -7.299 1.00 1.63 H new ATOM 0 HG23 ILE A 32 -4.537 -2.117 -7.096 1.00 1.63 H new ATOM 0 HD11 ILE A 32 -6.420 -1.753 -3.918 1.00 2.50 H new ATOM 0 HD12 ILE A 32 -5.451 -1.190 -5.300 1.00 2.50 H new ATOM 0 HD13 ILE A 32 -6.544 -2.582 -5.487 1.00 2.50 H new ATOM 483 N LEU A 33 -6.585 -5.672 -5.440 1.00 0.59 N ATOM 484 CA LEU A 33 -8.019 -5.890 -5.386 1.00 0.66 C ATOM 485 C LEU A 33 -8.622 -4.882 -4.411 1.00 0.64 C ATOM 486 O LEU A 33 -9.664 -4.296 -4.696 1.00 0.77 O ATOM 487 CB LEU A 33 -8.329 -7.329 -4.941 1.00 0.75 C ATOM 488 CG LEU A 33 -7.579 -8.413 -5.735 1.00 1.07 C ATOM 489 CD1 LEU A 33 -7.909 -9.789 -5.145 1.00 1.76 C ATOM 490 CD2 LEU A 33 -7.941 -8.385 -7.225 1.00 1.64 C ATOM 0 H LEU A 33 -6.081 -6.169 -4.706 1.00 0.59 H new ATOM 0 HA LEU A 33 -8.454 -5.751 -6.376 1.00 0.66 H new ATOM 0 HB2 LEU A 33 -8.081 -7.432 -3.885 1.00 0.75 H new ATOM 0 HB3 LEU A 33 -9.401 -7.503 -5.035 1.00 0.75 H new ATOM 0 HG LEU A 33 -6.510 -8.214 -5.654 1.00 1.07 H new ATOM 0 HD11 LEU A 33 -7.380 -10.561 -5.704 1.00 1.76 H new ATOM 0 HD12 LEU A 33 -7.599 -9.821 -4.100 1.00 1.76 H new ATOM 0 HD13 LEU A 33 -8.983 -9.965 -5.211 1.00 1.76 H new ATOM 0 HD21 LEU A 33 -7.389 -9.166 -7.748 1.00 1.64 H new ATOM 0 HD22 LEU A 33 -9.011 -8.555 -7.343 1.00 1.64 H new ATOM 0 HD23 LEU A 33 -7.680 -7.413 -7.645 1.00 1.64 H new ATOM 502 N TYR A 34 -7.965 -4.673 -3.264 1.00 0.61 N ATOM 503 CA TYR A 34 -8.422 -3.731 -2.254 1.00 0.67 C ATOM 504 C TYR A 34 -7.218 -3.151 -1.519 1.00 0.70 C ATOM 505 O TYR A 34 -6.162 -3.783 -1.453 1.00 0.66 O ATOM 506 CB TYR A 34 -9.380 -4.441 -1.291 1.00 0.79 C ATOM 507 CG TYR A 34 -10.000 -3.548 -0.241 1.00 0.87 C ATOM 508 CD1 TYR A 34 -11.080 -2.709 -0.571 1.00 1.95 C ATOM 509 CD2 TYR A 34 -9.489 -3.553 1.070 1.00 2.27 C ATOM 510 CE1 TYR A 34 -11.639 -1.867 0.406 1.00 1.96 C ATOM 511 CE2 TYR A 34 -10.069 -2.736 2.050 1.00 2.42 C ATOM 512 CZ TYR A 34 -11.115 -1.861 1.709 1.00 1.21 C ATOM 513 OH TYR A 34 -11.584 -0.972 2.626 1.00 1.40 O ATOM 0 H TYR A 34 -7.101 -5.156 -3.017 1.00 0.61 H new ATOM 0 HA TYR A 34 -8.961 -2.908 -2.723 1.00 0.67 H new ATOM 0 HB2 TYR A 34 -10.178 -4.905 -1.871 1.00 0.79 H new ATOM 0 HB3 TYR A 34 -8.840 -5.245 -0.791 1.00 0.79 H new ATOM 0 HD1 TYR A 34 -11.479 -2.712 -1.574 1.00 1.95 H new ATOM 0 HD2 TYR A 34 -8.651 -4.186 1.321 1.00 2.27 H new ATOM 0 HE1 TYR A 34 -12.471 -1.225 0.155 1.00 1.96 H new ATOM 0 HE2 TYR A 34 -9.712 -2.779 3.068 1.00 2.42 H new ATOM 0 HH TYR A 34 -10.830 -0.557 3.094 1.00 1.40 H new ATOM 523 N CYS A 35 -7.386 -1.946 -0.973 1.00 0.80 N ATOM 524 CA CYS A 35 -6.397 -1.236 -0.184 1.00 0.82 C ATOM 525 C CYS A 35 -7.121 -0.476 0.919 1.00 0.82 C ATOM 526 O CYS A 35 -8.315 -0.197 0.807 1.00 1.34 O ATOM 527 CB CYS A 35 -5.509 -0.354 -1.065 1.00 0.96 C ATOM 528 SG CYS A 35 -6.362 1.136 -1.607 1.00 2.14 S ATOM 0 H CYS A 35 -8.255 -1.422 -1.077 1.00 0.80 H new ATOM 0 HA CYS A 35 -5.708 -1.936 0.288 1.00 0.82 H new ATOM 0 HB2 CYS A 35 -4.611 -0.077 -0.512 1.00 0.96 H new ATOM 0 HB3 CYS A 35 -5.184 -0.923 -1.936 1.00 0.96 H new ATOM 0 HG CYS A 35 -7.592 0.845 -1.911 1.00 2.14 H new ATOM 534 N SER A 36 -6.424 -0.244 2.030 1.00 0.52 N ATOM 535 CA SER A 36 -6.888 0.568 3.143 1.00 0.58 C ATOM 536 C SER A 36 -5.672 1.098 3.891 1.00 0.52 C ATOM 537 O SER A 36 -5.223 0.531 4.898 1.00 0.78 O ATOM 538 CB SER A 36 -7.843 -0.206 4.056 1.00 0.77 C ATOM 539 OG SER A 36 -9.116 -0.282 3.451 1.00 2.03 O ATOM 0 H SER A 36 -5.492 -0.630 2.181 1.00 0.52 H new ATOM 0 HA SER A 36 -7.469 1.409 2.765 1.00 0.58 H new ATOM 0 HB2 SER A 36 -7.455 -1.208 4.239 1.00 0.77 H new ATOM 0 HB3 SER A 36 -7.918 0.289 5.024 1.00 0.77 H new ATOM 0 HG SER A 36 -9.117 -0.996 2.780 1.00 2.03 H new ATOM 545 N VAL A 37 -5.135 2.187 3.357 1.00 0.66 N ATOM 546 CA VAL A 37 -4.053 2.951 3.938 1.00 0.63 C ATOM 547 C VAL A 37 -4.622 3.859 5.043 1.00 0.65 C ATOM 548 O VAL A 37 -5.805 4.194 5.002 1.00 0.79 O ATOM 549 CB VAL A 37 -3.385 3.703 2.771 1.00 0.83 C ATOM 550 CG1 VAL A 37 -4.067 5.041 2.519 1.00 1.80 C ATOM 551 CG2 VAL A 37 -1.889 3.931 2.926 1.00 2.61 C ATOM 0 H VAL A 37 -5.459 2.573 2.470 1.00 0.66 H new ATOM 0 HA VAL A 37 -3.294 2.341 4.428 1.00 0.63 H new ATOM 0 HB VAL A 37 -3.511 3.038 1.917 1.00 0.83 H new ATOM 0 HG11 VAL A 37 -3.575 5.550 1.690 1.00 1.80 H new ATOM 0 HG12 VAL A 37 -5.115 4.874 2.271 1.00 1.80 H new ATOM 0 HG13 VAL A 37 -4.000 5.658 3.415 1.00 1.80 H new ATOM 0 HG21 VAL A 37 -1.511 4.467 2.056 1.00 2.61 H new ATOM 0 HG22 VAL A 37 -1.702 4.519 3.824 1.00 2.61 H new ATOM 0 HG23 VAL A 37 -1.381 2.970 3.009 1.00 2.61 H new ATOM 561 N ALA A 38 -3.831 4.259 6.049 1.00 0.63 N ATOM 562 CA ALA A 38 -4.296 5.243 7.027 1.00 0.79 C ATOM 563 C ALA A 38 -3.128 6.027 7.600 1.00 0.90 C ATOM 564 O ALA A 38 -2.186 5.411 8.090 1.00 0.92 O ATOM 565 CB ALA A 38 -5.013 4.548 8.186 1.00 0.81 C ATOM 0 H ALA A 38 -2.881 3.920 6.203 1.00 0.63 H new ATOM 0 HA ALA A 38 -4.979 5.918 6.511 1.00 0.79 H new ATOM 0 HB1 ALA A 38 -5.352 5.295 8.904 1.00 0.81 H new ATOM 0 HB2 ALA A 38 -5.871 3.996 7.804 1.00 0.81 H new ATOM 0 HB3 ALA A 38 -4.327 3.858 8.677 1.00 0.81 H new ATOM 571 N LEU A 39 -3.207 7.363 7.616 1.00 1.10 N ATOM 572 CA LEU A 39 -2.226 8.182 8.326 1.00 1.19 C ATOM 573 C LEU A 39 -2.234 7.841 9.813 1.00 1.09 C ATOM 574 O LEU A 39 -1.184 7.855 10.447 1.00 1.13 O ATOM 575 CB LEU A 39 -2.419 9.681 8.039 1.00 1.40 C ATOM 576 CG LEU A 39 -3.710 10.319 8.591 1.00 1.12 C ATOM 577 CD1 LEU A 39 -3.531 10.859 10.019 1.00 1.47 C ATOM 578 CD2 LEU A 39 -4.101 11.514 7.713 1.00 1.87 C ATOM 0 H LEU A 39 -3.939 7.896 7.146 1.00 1.10 H new ATOM 0 HA LEU A 39 -1.231 7.945 7.950 1.00 1.19 H new ATOM 0 HB2 LEU A 39 -1.567 10.221 8.451 1.00 1.40 H new ATOM 0 HB3 LEU A 39 -2.398 9.829 6.959 1.00 1.40 H new ATOM 0 HG LEU A 39 -4.471 9.538 8.593 1.00 1.12 H new ATOM 0 HD11 LEU A 39 -4.468 11.298 10.362 1.00 1.47 H new ATOM 0 HD12 LEU A 39 -3.248 10.043 10.684 1.00 1.47 H new ATOM 0 HD13 LEU A 39 -2.750 11.620 10.025 1.00 1.47 H new ATOM 0 HD21 LEU A 39 -5.013 11.967 8.101 1.00 1.87 H new ATOM 0 HD22 LEU A 39 -3.298 12.251 7.722 1.00 1.87 H new ATOM 0 HD23 LEU A 39 -4.270 11.175 6.691 1.00 1.87 H new ATOM 590 N ALA A 40 -3.408 7.480 10.348 1.00 1.09 N ATOM 591 CA ALA A 40 -3.607 7.131 11.748 1.00 1.14 C ATOM 592 C ALA A 40 -2.554 6.146 12.260 1.00 1.13 C ATOM 593 O ALA A 40 -2.051 6.317 13.366 1.00 1.34 O ATOM 594 CB ALA A 40 -5.017 6.563 11.938 1.00 1.30 C ATOM 0 H ALA A 40 -4.265 7.423 9.798 1.00 1.09 H new ATOM 0 HA ALA A 40 -3.495 8.041 12.338 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -5.166 6.302 12.986 1.00 1.30 H new ATOM 0 HB2 ALA A 40 -5.753 7.310 11.642 1.00 1.30 H new ATOM 0 HB3 ALA A 40 -5.136 5.672 11.321 1.00 1.30 H new ATOM 600 N THR A 41 -2.233 5.117 11.465 1.00 1.11 N ATOM 601 CA THR A 41 -1.214 4.134 11.820 1.00 1.27 C ATOM 602 C THR A 41 -0.093 4.067 10.776 1.00 1.29 C ATOM 603 O THR A 41 0.850 3.301 10.945 1.00 1.57 O ATOM 604 CB THR A 41 -1.896 2.795 12.147 1.00 1.27 C ATOM 605 OG1 THR A 41 -1.061 1.933 12.889 1.00 2.93 O ATOM 606 CG2 THR A 41 -2.410 2.045 10.929 1.00 2.13 C ATOM 0 H THR A 41 -2.674 4.947 10.561 1.00 1.11 H new ATOM 0 HA THR A 41 -0.691 4.441 12.726 1.00 1.27 H new ATOM 0 HB THR A 41 -2.757 3.084 12.750 1.00 1.27 H new ATOM 0 HG1 THR A 41 -0.135 2.032 12.584 1.00 2.93 H new ATOM 0 HG21 THR A 41 -2.877 1.112 11.246 1.00 2.13 H new ATOM 0 HG22 THR A 41 -3.144 2.659 10.407 1.00 2.13 H new ATOM 0 HG23 THR A 41 -1.578 1.825 10.259 1.00 2.13 H new ATOM 614 N ASN A 42 -0.154 4.907 9.732 1.00 1.21 N ATOM 615 CA ASN A 42 0.878 5.066 8.710 1.00 1.32 C ATOM 616 C ASN A 42 1.219 3.691 8.151 1.00 1.25 C ATOM 617 O ASN A 42 2.312 3.167 8.345 1.00 1.37 O ATOM 618 CB ASN A 42 2.090 5.916 9.165 1.00 1.78 C ATOM 619 CG ASN A 42 2.213 6.134 10.671 1.00 0.72 C ATOM 620 OD1 ASN A 42 3.161 5.681 11.304 1.00 1.53 O ATOM 621 ND2 ASN A 42 1.252 6.849 11.253 1.00 1.35 N ATOM 0 H ASN A 42 -0.957 5.516 9.575 1.00 1.21 H new ATOM 0 HA ASN A 42 0.486 5.670 7.892 1.00 1.32 H new ATOM 0 HB2 ASN A 42 3.002 5.436 8.810 1.00 1.78 H new ATOM 0 HB3 ASN A 42 2.032 6.890 8.678 1.00 1.78 H new ATOM 0 HD21 ASN A 42 1.290 7.035 12.255 1.00 1.35 H new ATOM 0 HD22 ASN A 42 0.478 7.211 10.697 1.00 1.35 H new ATOM 628 N LYS A 43 0.238 3.095 7.469 1.00 1.22 N ATOM 629 CA LYS A 43 0.315 1.754 6.927 1.00 1.26 C ATOM 630 C LYS A 43 -0.475 1.716 5.639 1.00 1.08 C ATOM 631 O LYS A 43 -1.277 2.618 5.409 1.00 0.99 O ATOM 632 CB LYS A 43 -0.183 0.722 7.959 1.00 1.36 C ATOM 633 CG LYS A 43 -1.646 0.232 7.877 1.00 1.52 C ATOM 634 CD LYS A 43 -2.737 1.309 7.731 1.00 1.74 C ATOM 635 CE LYS A 43 -4.094 0.847 8.280 1.00 1.61 C ATOM 636 NZ LYS A 43 -4.671 -0.241 7.471 1.00 2.30 N ATOM 0 H LYS A 43 -0.653 3.553 7.278 1.00 1.22 H new ATOM 0 HA LYS A 43 1.349 1.488 6.707 1.00 1.26 H new ATOM 0 HB2 LYS A 43 0.462 -0.153 7.888 1.00 1.36 H new ATOM 0 HB3 LYS A 43 -0.033 1.149 8.951 1.00 1.36 H new ATOM 0 HG2 LYS A 43 -1.728 -0.450 7.031 1.00 1.52 H new ATOM 0 HG3 LYS A 43 -1.860 -0.347 8.775 1.00 1.52 H new ATOM 0 HD2 LYS A 43 -2.425 2.212 8.256 1.00 1.74 H new ATOM 0 HD3 LYS A 43 -2.845 1.573 6.679 1.00 1.74 H new ATOM 0 HE2 LYS A 43 -3.974 0.510 9.309 1.00 1.61 H new ATOM 0 HE3 LYS A 43 -4.784 1.690 8.300 1.00 1.61 H new ATOM 0 HZ1 LYS A 43 -5.689 -0.320 7.670 1.00 2.30 H new ATOM 0 HZ2 LYS A 43 -4.531 -0.035 6.461 1.00 2.30 H new ATOM 0 HZ3 LYS A 43 -4.201 -1.138 7.710 1.00 2.30 H new ATOM 650 N ALA A 44 -0.276 0.652 4.865 1.00 1.07 N ATOM 651 CA ALA A 44 -1.087 0.232 3.742 1.00 0.91 C ATOM 652 C ALA A 44 -1.482 -1.209 4.018 1.00 0.74 C ATOM 653 O ALA A 44 -0.623 -2.086 3.961 1.00 0.79 O ATOM 654 CB ALA A 44 -0.279 0.359 2.449 1.00 1.02 C ATOM 0 H ALA A 44 0.511 0.023 5.023 1.00 1.07 H new ATOM 0 HA ALA A 44 -1.977 0.850 3.621 1.00 0.91 H new ATOM 0 HB1 ALA A 44 -0.891 0.042 1.605 1.00 1.02 H new ATOM 0 HB2 ALA A 44 0.023 1.397 2.309 1.00 1.02 H new ATOM 0 HB3 ALA A 44 0.608 -0.272 2.511 1.00 1.02 H new ATOM 660 N HIS A 45 -2.759 -1.448 4.333 1.00 0.73 N ATOM 661 CA HIS A 45 -3.336 -2.768 4.190 1.00 0.73 C ATOM 662 C HIS A 45 -3.663 -2.860 2.713 1.00 0.72 C ATOM 663 O HIS A 45 -4.201 -1.903 2.154 1.00 1.22 O ATOM 664 CB HIS A 45 -4.566 -2.911 5.093 1.00 0.79 C ATOM 665 CG HIS A 45 -5.007 -4.338 5.280 1.00 0.92 C ATOM 666 ND1 HIS A 45 -4.998 -5.078 6.442 1.00 1.14 N ATOM 667 CD2 HIS A 45 -5.412 -5.165 4.279 1.00 1.01 C ATOM 668 CE1 HIS A 45 -5.420 -6.316 6.135 1.00 1.30 C ATOM 669 NE2 HIS A 45 -5.697 -6.418 4.824 1.00 1.25 N ATOM 0 H HIS A 45 -3.403 -0.740 4.687 1.00 0.73 H new ATOM 0 HA HIS A 45 -2.674 -3.578 4.496 1.00 0.73 H new ATOM 0 HB2 HIS A 45 -4.345 -2.476 6.068 1.00 0.79 H new ATOM 0 HB3 HIS A 45 -5.389 -2.337 4.667 1.00 0.79 H new ATOM 0 HD1 HIS A 45 -4.722 -4.747 7.366 1.00 1.14 H new ATOM 0 HD2 HIS A 45 -5.499 -4.897 3.236 1.00 1.01 H new ATOM 0 HE1 HIS A 45 -5.523 -7.122 6.847 1.00 1.30 H new ATOM 677 N ILE A 46 -3.293 -3.968 2.084 1.00 0.63 N ATOM 678 CA ILE A 46 -3.511 -4.242 0.692 1.00 0.64 C ATOM 679 C ILE A 46 -3.928 -5.694 0.592 1.00 0.67 C ATOM 680 O ILE A 46 -3.584 -6.525 1.435 1.00 1.01 O ATOM 681 CB ILE A 46 -2.262 -3.949 -0.151 1.00 0.69 C ATOM 682 CG1 ILE A 46 -1.058 -4.800 0.280 1.00 2.74 C ATOM 683 CG2 ILE A 46 -1.913 -2.462 -0.072 1.00 2.33 C ATOM 684 CD1 ILE A 46 0.100 -4.622 -0.695 1.00 3.58 C ATOM 0 H ILE A 46 -2.811 -4.728 2.564 1.00 0.63 H new ATOM 0 HA ILE A 46 -4.289 -3.591 0.292 1.00 0.64 H new ATOM 0 HB ILE A 46 -2.494 -4.215 -1.182 1.00 0.69 H new ATOM 0 HG12 ILE A 46 -0.743 -4.513 1.283 1.00 2.74 H new ATOM 0 HG13 ILE A 46 -1.345 -5.851 0.324 1.00 2.74 H new ATOM 0 HG21 ILE A 46 -1.026 -2.264 -0.673 1.00 2.33 H new ATOM 0 HG22 ILE A 46 -2.747 -1.872 -0.451 1.00 2.33 H new ATOM 0 HG23 ILE A 46 -1.717 -2.189 0.965 1.00 2.33 H new ATOM 0 HD11 ILE A 46 0.944 -5.232 -0.373 1.00 3.58 H new ATOM 0 HD12 ILE A 46 -0.213 -4.932 -1.692 1.00 3.58 H new ATOM 0 HD13 ILE A 46 0.398 -3.574 -0.718 1.00 3.58 H new ATOM 696 N LYS A 47 -4.711 -5.966 -0.434 1.00 0.64 N ATOM 697 CA LYS A 47 -5.260 -7.256 -0.743 1.00 0.59 C ATOM 698 C LYS A 47 -5.125 -7.326 -2.252 1.00 0.60 C ATOM 699 O LYS A 47 -5.846 -6.620 -2.960 1.00 0.84 O ATOM 700 CB LYS A 47 -6.705 -7.248 -0.252 1.00 0.69 C ATOM 701 CG LYS A 47 -6.776 -7.551 1.247 1.00 0.91 C ATOM 702 CD LYS A 47 -8.241 -7.569 1.702 1.00 1.37 C ATOM 703 CE LYS A 47 -8.390 -8.322 3.029 1.00 2.06 C ATOM 704 NZ LYS A 47 -8.463 -9.781 2.810 1.00 2.46 N ATOM 0 H LYS A 47 -4.991 -5.250 -1.104 1.00 0.64 H new ATOM 0 HA LYS A 47 -4.781 -8.120 -0.282 1.00 0.59 H new ATOM 0 HB2 LYS A 47 -7.156 -6.276 -0.452 1.00 0.69 H new ATOM 0 HB3 LYS A 47 -7.285 -7.988 -0.804 1.00 0.69 H new ATOM 0 HG2 LYS A 47 -6.308 -8.513 1.456 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -6.221 -6.798 1.807 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -8.604 -6.547 1.816 1.00 1.37 H new ATOM 0 HD3 LYS A 47 -8.858 -8.043 0.938 1.00 1.37 H new ATOM 0 HE2 LYS A 47 -7.545 -8.091 3.678 1.00 2.06 H new ATOM 0 HE3 LYS A 47 -9.289 -7.983 3.543 1.00 2.06 H new ATOM 0 HZ1 LYS A 47 -9.411 -10.124 3.067 1.00 2.46 H new ATOM 0 HZ2 LYS A 47 -8.278 -9.991 1.808 1.00 2.46 H new ATOM 0 HZ3 LYS A 47 -7.751 -10.257 3.401 1.00 2.46 H new ATOM 718 N TYR A 48 -4.104 -8.041 -2.728 1.00 0.64 N ATOM 719 CA TYR A 48 -3.706 -8.040 -4.126 1.00 0.64 C ATOM 720 C TYR A 48 -3.572 -9.473 -4.608 1.00 0.60 C ATOM 721 O TYR A 48 -3.220 -10.349 -3.825 1.00 0.78 O ATOM 722 CB TYR A 48 -2.399 -7.254 -4.305 1.00 0.76 C ATOM 723 CG TYR A 48 -1.170 -7.896 -3.693 1.00 0.78 C ATOM 724 CD1 TYR A 48 -0.840 -7.645 -2.351 1.00 1.55 C ATOM 725 CD2 TYR A 48 -0.353 -8.741 -4.466 1.00 1.71 C ATOM 726 CE1 TYR A 48 0.308 -8.227 -1.788 1.00 1.70 C ATOM 727 CE2 TYR A 48 0.796 -9.320 -3.904 1.00 1.78 C ATOM 728 CZ TYR A 48 1.118 -9.076 -2.560 1.00 1.12 C ATOM 729 OH TYR A 48 2.206 -9.677 -2.004 1.00 1.35 O ATOM 0 H TYR A 48 -3.527 -8.643 -2.141 1.00 0.64 H new ATOM 0 HA TYR A 48 -4.467 -7.545 -4.729 1.00 0.64 H new ATOM 0 HB2 TYR A 48 -2.222 -7.112 -5.371 1.00 0.76 H new ATOM 0 HB3 TYR A 48 -2.527 -6.263 -3.869 1.00 0.76 H new ATOM 0 HD1 TYR A 48 -1.469 -7.004 -1.751 1.00 1.55 H new ATOM 0 HD2 TYR A 48 -0.610 -8.945 -5.495 1.00 1.71 H new ATOM 0 HE1 TYR A 48 0.568 -8.021 -0.760 1.00 1.70 H new ATOM 0 HE2 TYR A 48 1.432 -9.953 -4.506 1.00 1.78 H new ATOM 0 HH TYR A 48 2.653 -10.231 -2.677 1.00 1.35 H new ATOM 739 N ASP A 49 -3.839 -9.724 -5.888 1.00 0.64 N ATOM 740 CA ASP A 49 -3.608 -11.039 -6.455 1.00 0.70 C ATOM 741 C ASP A 49 -2.125 -11.131 -6.838 1.00 0.70 C ATOM 742 O ASP A 49 -1.672 -10.340 -7.668 1.00 0.82 O ATOM 743 CB ASP A 49 -4.540 -11.267 -7.649 1.00 0.94 C ATOM 744 CG ASP A 49 -4.422 -12.683 -8.193 1.00 1.82 C ATOM 745 OD1 ASP A 49 -3.407 -13.370 -7.928 1.00 2.87 O ATOM 746 OD2 ASP A 49 -5.387 -13.150 -8.836 1.00 2.86 O ATOM 0 H ASP A 49 -4.212 -9.037 -6.543 1.00 0.64 H new ATOM 0 HA ASP A 49 -3.832 -11.826 -5.735 1.00 0.70 H new ATOM 0 HB2 ASP A 49 -5.570 -11.078 -7.348 1.00 0.94 H new ATOM 0 HB3 ASP A 49 -4.302 -10.553 -8.438 1.00 0.94 H new ATOM 751 N PRO A 50 -1.341 -12.047 -6.242 1.00 0.69 N ATOM 752 CA PRO A 50 0.058 -12.188 -6.593 1.00 0.90 C ATOM 753 C PRO A 50 0.234 -12.590 -8.060 1.00 1.21 C ATOM 754 O PRO A 50 1.246 -12.237 -8.664 1.00 1.93 O ATOM 755 CB PRO A 50 0.647 -13.205 -5.614 1.00 1.03 C ATOM 756 CG PRO A 50 -0.558 -14.006 -5.128 1.00 0.86 C ATOM 757 CD PRO A 50 -1.729 -13.031 -5.245 1.00 0.75 C ATOM 0 HA PRO A 50 0.589 -11.240 -6.506 1.00 0.90 H new ATOM 0 HB2 PRO A 50 1.381 -13.847 -6.102 1.00 1.03 H new ATOM 0 HB3 PRO A 50 1.156 -12.711 -4.786 1.00 1.03 H new ATOM 0 HG2 PRO A 50 -0.718 -14.895 -5.738 1.00 0.86 H new ATOM 0 HG3 PRO A 50 -0.423 -14.345 -4.101 1.00 0.86 H new ATOM 0 HD2 PRO A 50 -2.639 -13.550 -5.545 1.00 0.75 H new ATOM 0 HD3 PRO A 50 -1.935 -12.554 -4.287 1.00 0.75 H new ATOM 765 N GLU A 51 -0.743 -13.273 -8.671 1.00 1.43 N ATOM 766 CA GLU A 51 -0.605 -13.794 -10.027 1.00 1.75 C ATOM 767 C GLU A 51 -0.861 -12.701 -11.075 1.00 1.94 C ATOM 768 O GLU A 51 -1.530 -12.953 -12.076 1.00 3.50 O ATOM 769 CB GLU A 51 -1.565 -14.980 -10.217 1.00 1.95 C ATOM 770 CG GLU A 51 -1.505 -16.019 -9.083 1.00 2.38 C ATOM 771 CD GLU A 51 -0.100 -16.557 -8.850 1.00 2.69 C ATOM 772 OE1 GLU A 51 0.518 -16.967 -9.854 1.00 3.05 O ATOM 773 OE2 GLU A 51 0.310 -16.567 -7.670 1.00 4.27 O ATOM 0 H GLU A 51 -1.644 -13.476 -8.238 1.00 1.43 H new ATOM 0 HA GLU A 51 0.419 -14.138 -10.170 1.00 1.75 H new ATOM 0 HB2 GLU A 51 -2.584 -14.601 -10.296 1.00 1.95 H new ATOM 0 HB3 GLU A 51 -1.335 -15.473 -11.161 1.00 1.95 H new ATOM 0 HG2 GLU A 51 -1.873 -15.567 -8.162 1.00 2.38 H new ATOM 0 HG3 GLU A 51 -2.172 -16.848 -9.320 1.00 2.38 H new ATOM 780 N ILE A 52 -0.340 -11.491 -10.848 1.00 0.83 N ATOM 781 CA ILE A 52 -0.532 -10.313 -11.683 1.00 0.88 C ATOM 782 C ILE A 52 0.313 -9.146 -11.158 1.00 0.87 C ATOM 783 O ILE A 52 0.945 -8.464 -11.962 1.00 1.09 O ATOM 784 CB ILE A 52 -2.027 -9.953 -11.853 1.00 0.95 C ATOM 785 CG1 ILE A 52 -2.246 -8.634 -12.612 1.00 1.73 C ATOM 786 CG2 ILE A 52 -2.773 -9.895 -10.519 1.00 2.16 C ATOM 787 CD1 ILE A 52 -1.658 -8.700 -14.023 1.00 2.89 C ATOM 0 H ILE A 52 0.253 -11.303 -10.039 1.00 0.83 H new ATOM 0 HA ILE A 52 -0.178 -10.544 -12.688 1.00 0.88 H new ATOM 0 HB ILE A 52 -2.439 -10.766 -12.451 1.00 0.95 H new ATOM 0 HG12 ILE A 52 -3.313 -8.418 -12.670 1.00 1.73 H new ATOM 0 HG13 ILE A 52 -1.785 -7.814 -12.061 1.00 1.73 H new ATOM 0 HG21 ILE A 52 -3.817 -9.638 -10.697 1.00 2.16 H new ATOM 0 HG22 ILE A 52 -2.717 -10.867 -10.028 1.00 2.16 H new ATOM 0 HG23 ILE A 52 -2.317 -9.139 -9.880 1.00 2.16 H new ATOM 0 HD11 ILE A 52 -1.829 -7.752 -14.533 1.00 2.89 H new ATOM 0 HD12 ILE A 52 -0.587 -8.891 -13.962 1.00 2.89 H new ATOM 0 HD13 ILE A 52 -2.139 -9.504 -14.580 1.00 2.89 H new ATOM 799 N ILE A 53 0.351 -8.906 -9.840 1.00 0.73 N ATOM 800 CA ILE A 53 1.181 -7.861 -9.253 1.00 0.78 C ATOM 801 C ILE A 53 1.926 -8.459 -8.065 1.00 0.78 C ATOM 802 O ILE A 53 1.317 -9.030 -7.165 1.00 1.16 O ATOM 803 CB ILE A 53 0.331 -6.617 -8.906 1.00 0.84 C ATOM 804 CG1 ILE A 53 1.186 -5.344 -8.883 1.00 1.19 C ATOM 805 CG2 ILE A 53 -0.411 -6.732 -7.567 1.00 1.15 C ATOM 806 CD1 ILE A 53 0.346 -4.073 -9.030 1.00 0.86 C ATOM 0 H ILE A 53 -0.194 -9.433 -9.158 1.00 0.73 H new ATOM 0 HA ILE A 53 1.926 -7.501 -9.963 1.00 0.78 H new ATOM 0 HB ILE A 53 -0.415 -6.558 -9.698 1.00 0.84 H new ATOM 0 HG12 ILE A 53 1.744 -5.301 -7.947 1.00 1.19 H new ATOM 0 HG13 ILE A 53 1.918 -5.387 -9.689 1.00 1.19 H new ATOM 0 HG21 ILE A 53 -0.986 -5.823 -7.390 1.00 1.15 H new ATOM 0 HG22 ILE A 53 -1.085 -7.588 -7.597 1.00 1.15 H new ATOM 0 HG23 ILE A 53 0.311 -6.867 -6.761 1.00 1.15 H new ATOM 0 HD11 ILE A 53 0.999 -3.201 -9.007 1.00 0.86 H new ATOM 0 HD12 ILE A 53 -0.191 -4.100 -9.978 1.00 0.86 H new ATOM 0 HD13 ILE A 53 -0.369 -4.012 -8.209 1.00 0.86 H new ATOM 818 N GLY A 54 3.250 -8.366 -8.075 1.00 0.87 N ATOM 819 CA GLY A 54 4.072 -8.751 -6.942 1.00 0.86 C ATOM 820 C GLY A 54 3.975 -7.707 -5.823 1.00 0.79 C ATOM 821 O GLY A 54 3.367 -6.649 -5.991 1.00 0.91 O ATOM 0 H GLY A 54 3.782 -8.020 -8.873 1.00 0.87 H new ATOM 0 HA2 GLY A 54 3.752 -9.723 -6.568 1.00 0.86 H new ATOM 0 HA3 GLY A 54 5.110 -8.857 -7.258 1.00 0.86 H new ATOM 825 N PRO A 55 4.575 -7.985 -4.656 1.00 0.77 N ATOM 826 CA PRO A 55 4.609 -7.041 -3.553 1.00 0.80 C ATOM 827 C PRO A 55 5.436 -5.812 -3.933 1.00 0.78 C ATOM 828 O PRO A 55 4.952 -4.684 -3.833 1.00 0.99 O ATOM 829 CB PRO A 55 5.208 -7.809 -2.370 1.00 0.93 C ATOM 830 CG PRO A 55 5.997 -8.954 -3.013 1.00 0.92 C ATOM 831 CD PRO A 55 5.240 -9.231 -4.312 1.00 0.85 C ATOM 0 HA PRO A 55 3.620 -6.662 -3.296 1.00 0.80 H new ATOM 0 HB2 PRO A 55 5.855 -7.170 -1.769 1.00 0.93 H new ATOM 0 HB3 PRO A 55 4.429 -8.187 -1.708 1.00 0.93 H new ATOM 0 HG2 PRO A 55 7.031 -8.669 -3.205 1.00 0.92 H new ATOM 0 HG3 PRO A 55 6.023 -9.833 -2.369 1.00 0.92 H new ATOM 0 HD2 PRO A 55 5.922 -9.542 -5.103 1.00 0.85 H new ATOM 0 HD3 PRO A 55 4.517 -10.036 -4.179 1.00 0.85 H new ATOM 839 N ARG A 56 6.687 -6.026 -4.360 1.00 0.65 N ATOM 840 CA ARG A 56 7.619 -4.950 -4.681 1.00 0.68 C ATOM 841 C ARG A 56 6.977 -3.935 -5.628 1.00 0.65 C ATOM 842 O ARG A 56 7.139 -2.733 -5.455 1.00 0.72 O ATOM 843 CB ARG A 56 8.927 -5.507 -5.263 1.00 0.88 C ATOM 844 CG ARG A 56 9.830 -4.329 -5.652 1.00 1.99 C ATOM 845 CD ARG A 56 11.272 -4.708 -5.991 1.00 2.63 C ATOM 846 NE ARG A 56 11.958 -3.483 -6.423 1.00 3.83 N ATOM 847 CZ ARG A 56 13.248 -3.155 -6.288 1.00 4.97 C ATOM 848 NH1 ARG A 56 14.151 -4.073 -5.931 1.00 5.52 N ATOM 849 NH2 ARG A 56 13.596 -1.887 -6.523 1.00 6.04 N ATOM 0 H ARG A 56 7.079 -6.959 -4.492 1.00 0.65 H new ATOM 0 HA ARG A 56 7.865 -4.431 -3.755 1.00 0.68 H new ATOM 0 HB2 ARG A 56 9.427 -6.141 -4.531 1.00 0.88 H new ATOM 0 HB3 ARG A 56 8.719 -6.128 -6.134 1.00 0.88 H new ATOM 0 HG2 ARG A 56 9.391 -3.822 -6.511 1.00 1.99 H new ATOM 0 HG3 ARG A 56 9.841 -3.612 -4.831 1.00 1.99 H new ATOM 0 HD2 ARG A 56 11.769 -5.141 -5.123 1.00 2.63 H new ATOM 0 HD3 ARG A 56 11.296 -5.460 -6.780 1.00 2.63 H new ATOM 0 HE ARG A 56 11.372 -2.790 -6.888 1.00 3.83 H new ATOM 0 HH11 ARG A 56 13.859 -5.035 -5.758 1.00 5.52 H new ATOM 0 HH12 ARG A 56 15.132 -3.812 -5.831 1.00 5.52 H new ATOM 0 HH21 ARG A 56 12.887 -1.206 -6.795 1.00 6.04 H new ATOM 0 HH22 ARG A 56 14.570 -1.600 -6.430 1.00 6.04 H new ATOM 863 N ASP A 57 6.264 -4.435 -6.630 1.00 0.71 N ATOM 864 CA ASP A 57 5.504 -3.688 -7.613 1.00 0.81 C ATOM 865 C ASP A 57 4.662 -2.608 -6.921 1.00 0.82 C ATOM 866 O ASP A 57 4.672 -1.446 -7.318 1.00 1.01 O ATOM 867 CB ASP A 57 4.579 -4.650 -8.381 1.00 0.89 C ATOM 868 CG ASP A 57 5.135 -6.016 -8.793 1.00 1.62 C ATOM 869 OD1 ASP A 57 6.067 -6.516 -8.123 1.00 2.68 O ATOM 870 OD2 ASP A 57 4.526 -6.609 -9.710 1.00 2.34 O ATOM 0 H ASP A 57 6.200 -5.441 -6.784 1.00 0.71 H new ATOM 0 HA ASP A 57 6.193 -3.207 -8.308 1.00 0.81 H new ATOM 0 HB2 ASP A 57 3.695 -4.822 -7.767 1.00 0.89 H new ATOM 0 HB3 ASP A 57 4.245 -4.140 -9.285 1.00 0.89 H new ATOM 875 N ILE A 58 3.925 -2.998 -5.875 1.00 0.71 N ATOM 876 CA ILE A 58 3.134 -2.078 -5.068 1.00 0.77 C ATOM 877 C ILE A 58 4.050 -1.182 -4.233 1.00 0.68 C ATOM 878 O ILE A 58 3.852 0.033 -4.197 1.00 0.66 O ATOM 879 CB ILE A 58 2.106 -2.856 -4.222 1.00 0.90 C ATOM 880 CG1 ILE A 58 0.986 -3.319 -5.172 1.00 1.05 C ATOM 881 CG2 ILE A 58 1.549 -1.992 -3.079 1.00 0.97 C ATOM 882 CD1 ILE A 58 0.005 -4.296 -4.526 1.00 1.34 C ATOM 0 H ILE A 58 3.864 -3.969 -5.567 1.00 0.71 H new ATOM 0 HA ILE A 58 2.562 -1.416 -5.719 1.00 0.77 H new ATOM 0 HB ILE A 58 2.581 -3.715 -3.748 1.00 0.90 H new ATOM 0 HG12 ILE A 58 0.437 -2.447 -5.527 1.00 1.05 H new ATOM 0 HG13 ILE A 58 1.434 -3.791 -6.046 1.00 1.05 H new ATOM 0 HG21 ILE A 58 0.827 -2.572 -2.503 1.00 0.97 H new ATOM 0 HG22 ILE A 58 2.366 -1.679 -2.428 1.00 0.97 H new ATOM 0 HG23 ILE A 58 1.058 -1.112 -3.494 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -0.757 -4.580 -5.252 1.00 1.34 H new ATOM 0 HD12 ILE A 58 0.542 -5.186 -4.196 1.00 1.34 H new ATOM 0 HD13 ILE A 58 -0.471 -3.820 -3.668 1.00 1.34 H new ATOM 894 N ILE A 59 5.046 -1.759 -3.551 1.00 0.63 N ATOM 895 CA ILE A 59 5.971 -0.979 -2.734 1.00 0.59 C ATOM 896 C ILE A 59 6.537 0.208 -3.530 1.00 0.54 C ATOM 897 O ILE A 59 6.505 1.339 -3.043 1.00 0.56 O ATOM 898 CB ILE A 59 7.080 -1.877 -2.159 1.00 0.62 C ATOM 899 CG1 ILE A 59 6.564 -3.042 -1.291 1.00 0.92 C ATOM 900 CG2 ILE A 59 8.053 -1.030 -1.344 1.00 0.68 C ATOM 901 CD1 ILE A 59 5.694 -2.632 -0.100 1.00 1.95 C ATOM 0 H ILE A 59 5.229 -2.763 -3.551 1.00 0.63 H new ATOM 0 HA ILE A 59 5.423 -0.563 -1.888 1.00 0.59 H new ATOM 0 HB ILE A 59 7.576 -2.331 -3.017 1.00 0.62 H new ATOM 0 HG12 ILE A 59 5.990 -3.719 -1.924 1.00 0.92 H new ATOM 0 HG13 ILE A 59 7.421 -3.604 -0.918 1.00 0.92 H new ATOM 0 HG21 ILE A 59 8.838 -1.668 -0.937 1.00 0.68 H new ATOM 0 HG22 ILE A 59 8.499 -0.270 -1.985 1.00 0.68 H new ATOM 0 HG23 ILE A 59 7.518 -0.547 -0.526 1.00 0.68 H new ATOM 0 HD11 ILE A 59 5.382 -3.522 0.446 1.00 1.95 H new ATOM 0 HD12 ILE A 59 6.266 -1.982 0.562 1.00 1.95 H new ATOM 0 HD13 ILE A 59 4.813 -2.099 -0.459 1.00 1.95 H new ATOM 913 N HIS A 60 6.990 -0.045 -4.763 1.00 0.60 N ATOM 914 CA HIS A 60 7.444 0.961 -5.718 1.00 0.70 C ATOM 915 C HIS A 60 6.484 2.149 -5.777 1.00 0.64 C ATOM 916 O HIS A 60 6.933 3.296 -5.769 1.00 0.68 O ATOM 917 CB HIS A 60 7.622 0.345 -7.114 1.00 0.94 C ATOM 918 CG HIS A 60 9.004 -0.184 -7.416 1.00 1.12 C ATOM 919 ND1 HIS A 60 9.573 -0.219 -8.668 1.00 2.26 N ATOM 920 CD2 HIS A 60 9.924 -0.677 -6.528 1.00 1.82 C ATOM 921 CE1 HIS A 60 10.810 -0.725 -8.539 1.00 2.85 C ATOM 922 NE2 HIS A 60 11.073 -1.028 -7.255 1.00 2.71 N ATOM 0 H HIS A 60 7.051 -0.994 -5.133 1.00 0.60 H new ATOM 0 HA HIS A 60 8.411 1.329 -5.374 1.00 0.70 H new ATOM 0 HB2 HIS A 60 6.907 -0.470 -7.227 1.00 0.94 H new ATOM 0 HB3 HIS A 60 7.368 1.098 -7.860 1.00 0.94 H new ATOM 0 HD1 HIS A 60 9.134 0.085 -9.537 1.00 2.26 H new ATOM 0 HD2 HIS A 60 9.790 -0.777 -5.461 1.00 1.82 H new ATOM 0 HE1 HIS A 60 11.501 -0.869 -9.356 1.00 2.85 H new ATOM 930 N THR A 61 5.171 1.900 -5.832 1.00 0.64 N ATOM 931 CA THR A 61 4.203 2.982 -5.864 1.00 0.70 C ATOM 932 C THR A 61 4.385 3.833 -4.613 1.00 0.60 C ATOM 933 O THR A 61 4.579 5.042 -4.696 1.00 0.71 O ATOM 934 CB THR A 61 2.770 2.431 -5.945 1.00 0.85 C ATOM 935 OG1 THR A 61 2.653 1.537 -7.028 1.00 1.03 O ATOM 936 CG2 THR A 61 1.769 3.572 -6.129 1.00 1.08 C ATOM 0 H THR A 61 4.765 0.965 -5.855 1.00 0.64 H new ATOM 0 HA THR A 61 4.367 3.594 -6.751 1.00 0.70 H new ATOM 0 HB THR A 61 2.554 1.907 -5.014 1.00 0.85 H new ATOM 0 HG1 THR A 61 1.738 1.188 -7.067 1.00 1.03 H new ATOM 0 HG21 THR A 61 0.759 3.165 -6.185 1.00 1.08 H new ATOM 0 HG22 THR A 61 1.838 4.257 -5.284 1.00 1.08 H new ATOM 0 HG23 THR A 61 1.995 4.109 -7.050 1.00 1.08 H new ATOM 944 N ILE A 62 4.319 3.192 -3.449 1.00 0.49 N ATOM 945 CA ILE A 62 4.343 3.870 -2.166 1.00 0.54 C ATOM 946 C ILE A 62 5.616 4.711 -2.043 1.00 0.63 C ATOM 947 O ILE A 62 5.540 5.912 -1.764 1.00 0.74 O ATOM 948 CB ILE A 62 4.159 2.822 -1.050 1.00 0.51 C ATOM 949 CG1 ILE A 62 2.667 2.621 -0.733 1.00 0.59 C ATOM 950 CG2 ILE A 62 4.839 3.236 0.258 1.00 0.61 C ATOM 951 CD1 ILE A 62 1.844 2.114 -1.920 1.00 1.79 C ATOM 0 H ILE A 62 4.247 2.177 -3.375 1.00 0.49 H new ATOM 0 HA ILE A 62 3.519 4.577 -2.071 1.00 0.54 H new ATOM 0 HB ILE A 62 4.614 1.906 -1.426 1.00 0.51 H new ATOM 0 HG12 ILE A 62 2.573 1.913 0.091 1.00 0.59 H new ATOM 0 HG13 ILE A 62 2.248 3.567 -0.390 1.00 0.59 H new ATOM 0 HG21 ILE A 62 4.680 2.464 1.011 1.00 0.61 H new ATOM 0 HG22 ILE A 62 5.908 3.362 0.088 1.00 0.61 H new ATOM 0 HG23 ILE A 62 4.414 4.177 0.607 1.00 0.61 H new ATOM 0 HD11 ILE A 62 0.803 1.997 -1.618 1.00 1.79 H new ATOM 0 HD12 ILE A 62 1.906 2.831 -2.739 1.00 1.79 H new ATOM 0 HD13 ILE A 62 2.236 1.152 -2.250 1.00 1.79 H new ATOM 963 N GLU A 63 6.782 4.095 -2.248 1.00 0.64 N ATOM 964 CA GLU A 63 8.036 4.813 -2.092 1.00 0.86 C ATOM 965 C GLU A 63 8.111 5.971 -3.092 1.00 0.86 C ATOM 966 O GLU A 63 8.375 7.107 -2.700 1.00 0.99 O ATOM 967 CB GLU A 63 9.233 3.851 -2.113 1.00 1.10 C ATOM 968 CG GLU A 63 9.417 3.106 -3.440 1.00 1.57 C ATOM 969 CD GLU A 63 10.405 1.944 -3.360 1.00 1.30 C ATOM 970 OE1 GLU A 63 10.653 1.465 -2.233 1.00 1.48 O ATOM 971 OE2 GLU A 63 10.882 1.538 -4.442 1.00 2.48 O ATOM 0 H GLU A 63 6.878 3.116 -2.518 1.00 0.64 H new ATOM 0 HA GLU A 63 8.080 5.277 -1.107 1.00 0.86 H new ATOM 0 HB2 GLU A 63 10.141 4.414 -1.896 1.00 1.10 H new ATOM 0 HB3 GLU A 63 9.112 3.121 -1.313 1.00 1.10 H new ATOM 0 HG2 GLU A 63 8.450 2.727 -3.771 1.00 1.57 H new ATOM 0 HG3 GLU A 63 9.759 3.811 -4.198 1.00 1.57 H new ATOM 978 N SER A 64 7.810 5.698 -4.368 1.00 0.80 N ATOM 979 CA SER A 64 7.826 6.703 -5.424 1.00 0.92 C ATOM 980 C SER A 64 6.922 7.894 -5.082 1.00 0.98 C ATOM 981 O SER A 64 7.333 9.045 -5.209 1.00 1.42 O ATOM 982 CB SER A 64 7.428 6.049 -6.754 1.00 0.92 C ATOM 983 OG SER A 64 7.540 6.962 -7.827 1.00 1.49 O ATOM 0 H SER A 64 7.548 4.767 -4.692 1.00 0.80 H new ATOM 0 HA SER A 64 8.836 7.101 -5.519 1.00 0.92 H new ATOM 0 HB2 SER A 64 8.064 5.184 -6.941 1.00 0.92 H new ATOM 0 HB3 SER A 64 6.403 5.683 -6.690 1.00 0.92 H new ATOM 0 HG SER A 64 7.282 6.519 -8.662 1.00 1.49 H new ATOM 989 N LEU A 65 5.681 7.629 -4.657 1.00 0.67 N ATOM 990 CA LEU A 65 4.702 8.667 -4.385 1.00 0.72 C ATOM 991 C LEU A 65 5.217 9.703 -3.388 1.00 1.02 C ATOM 992 O LEU A 65 5.140 10.905 -3.665 1.00 1.66 O ATOM 993 CB LEU A 65 3.407 8.044 -3.849 1.00 0.77 C ATOM 994 CG LEU A 65 2.506 7.398 -4.911 1.00 0.84 C ATOM 995 CD1 LEU A 65 1.399 6.673 -4.147 1.00 2.32 C ATOM 996 CD2 LEU A 65 1.874 8.391 -5.894 1.00 1.38 C ATOM 0 H LEU A 65 5.335 6.683 -4.494 1.00 0.67 H new ATOM 0 HA LEU A 65 4.509 9.179 -5.328 1.00 0.72 H new ATOM 0 HB2 LEU A 65 3.666 7.289 -3.107 1.00 0.77 H new ATOM 0 HB3 LEU A 65 2.837 8.817 -3.333 1.00 0.77 H new ATOM 0 HG LEU A 65 3.118 6.737 -5.524 1.00 0.84 H new ATOM 0 HD11 LEU A 65 0.724 6.192 -4.854 1.00 2.32 H new ATOM 0 HD12 LEU A 65 1.840 5.918 -3.496 1.00 2.32 H new ATOM 0 HD13 LEU A 65 0.842 7.391 -3.545 1.00 2.32 H new ATOM 0 HD21 LEU A 65 1.254 7.850 -6.609 1.00 1.38 H new ATOM 0 HD22 LEU A 65 1.258 9.104 -5.346 1.00 1.38 H new ATOM 0 HD23 LEU A 65 2.660 8.926 -6.427 1.00 1.38 H new ATOM 1008 N GLY A 66 5.575 9.283 -2.172 1.00 0.81 N ATOM 1009 CA GLY A 66 6.129 10.220 -1.200 1.00 1.09 C ATOM 1010 C GLY A 66 6.901 9.622 -0.022 1.00 0.74 C ATOM 1011 O GLY A 66 7.258 10.382 0.876 1.00 0.86 O ATOM 0 H GLY A 66 5.493 8.321 -1.844 1.00 0.81 H new ATOM 0 HA2 GLY A 66 6.793 10.903 -1.729 1.00 1.09 H new ATOM 0 HA3 GLY A 66 5.310 10.817 -0.800 1.00 1.09 H new ATOM 1015 N PHE A 67 7.041 8.295 0.079 1.00 0.62 N ATOM 1016 CA PHE A 67 6.929 7.656 1.389 1.00 0.60 C ATOM 1017 C PHE A 67 8.061 6.675 1.683 1.00 0.81 C ATOM 1018 O PHE A 67 8.911 6.414 0.837 1.00 1.15 O ATOM 1019 CB PHE A 67 5.544 6.998 1.472 1.00 0.66 C ATOM 1020 CG PHE A 67 4.403 7.958 1.186 1.00 0.70 C ATOM 1021 CD1 PHE A 67 4.287 9.127 1.957 1.00 1.85 C ATOM 1022 CD2 PHE A 67 3.576 7.787 0.059 1.00 1.47 C ATOM 1023 CE1 PHE A 67 3.389 10.138 1.584 1.00 1.85 C ATOM 1024 CE2 PHE A 67 2.661 8.791 -0.304 1.00 1.49 C ATOM 1025 CZ PHE A 67 2.567 9.968 0.459 1.00 0.76 C ATOM 0 H PHE A 67 7.225 7.665 -0.701 1.00 0.62 H new ATOM 0 HA PHE A 67 7.029 8.414 2.166 1.00 0.60 H new ATOM 0 HB2 PHE A 67 5.500 6.171 0.763 1.00 0.66 H new ATOM 0 HB3 PHE A 67 5.411 6.573 2.467 1.00 0.66 H new ATOM 0 HD1 PHE A 67 4.893 9.248 2.843 1.00 1.85 H new ATOM 0 HD2 PHE A 67 3.645 6.883 -0.528 1.00 1.47 H new ATOM 0 HE1 PHE A 67 3.330 11.048 2.163 1.00 1.85 H new ATOM 0 HE2 PHE A 67 2.030 8.658 -1.170 1.00 1.49 H new ATOM 0 HZ PHE A 67 1.864 10.739 0.180 1.00 0.76 H new ATOM 1035 N GLU A 68 8.060 6.140 2.906 1.00 0.75 N ATOM 1036 CA GLU A 68 9.074 5.224 3.411 1.00 1.10 C ATOM 1037 C GLU A 68 8.366 3.968 3.914 1.00 1.26 C ATOM 1038 O GLU A 68 7.758 3.993 4.986 1.00 1.96 O ATOM 1039 CB GLU A 68 9.832 5.874 4.571 1.00 1.34 C ATOM 1040 CG GLU A 68 10.675 7.100 4.214 1.00 2.47 C ATOM 1041 CD GLU A 68 11.362 7.574 5.481 1.00 3.06 C ATOM 1042 OE1 GLU A 68 12.357 6.923 5.870 1.00 3.15 O ATOM 1043 OE2 GLU A 68 10.777 8.414 6.196 1.00 4.12 O ATOM 0 H GLU A 68 7.330 6.341 3.589 1.00 0.75 H new ATOM 0 HA GLU A 68 9.783 4.978 2.621 1.00 1.10 H new ATOM 0 HB2 GLU A 68 9.110 6.163 5.335 1.00 1.34 H new ATOM 0 HB3 GLU A 68 10.486 5.125 5.018 1.00 1.34 H new ATOM 0 HG2 GLU A 68 11.412 6.848 3.451 1.00 2.47 H new ATOM 0 HG3 GLU A 68 10.046 7.889 3.802 1.00 2.47 H new ATOM 1050 N ALA A 69 8.416 2.880 3.144 1.00 0.91 N ATOM 1051 CA ALA A 69 7.729 1.652 3.510 1.00 0.93 C ATOM 1052 C ALA A 69 8.568 0.786 4.456 1.00 1.12 C ATOM 1053 O ALA A 69 9.793 0.879 4.473 1.00 1.47 O ATOM 1054 CB ALA A 69 7.374 0.868 2.243 1.00 1.25 C ATOM 0 H ALA A 69 8.927 2.830 2.263 1.00 0.91 H new ATOM 0 HA ALA A 69 6.817 1.921 4.044 1.00 0.93 H new ATOM 0 HB1 ALA A 69 6.859 -0.053 2.517 1.00 1.25 H new ATOM 0 HB2 ALA A 69 6.724 1.473 1.611 1.00 1.25 H new ATOM 0 HB3 ALA A 69 8.286 0.625 1.698 1.00 1.25 H new ATOM 1060 N SER A 70 7.906 -0.092 5.215 1.00 1.00 N ATOM 1061 CA SER A 70 8.531 -1.189 5.940 1.00 1.13 C ATOM 1062 C SER A 70 7.493 -2.286 6.136 1.00 1.07 C ATOM 1063 O SER A 70 6.390 -2.004 6.595 1.00 1.00 O ATOM 1064 CB SER A 70 9.043 -0.721 7.308 1.00 1.18 C ATOM 1065 OG SER A 70 9.639 -1.796 8.020 1.00 2.08 O ATOM 0 H SER A 70 6.895 -0.054 5.342 1.00 1.00 H new ATOM 0 HA SER A 70 9.382 -1.559 5.368 1.00 1.13 H new ATOM 0 HB2 SER A 70 9.770 0.080 7.174 1.00 1.18 H new ATOM 0 HB3 SER A 70 8.218 -0.308 7.888 1.00 1.18 H new ATOM 0 HG SER A 70 8.948 -2.442 8.276 1.00 2.08 H new ATOM 1071 N LEU A 71 7.848 -3.542 5.859 1.00 1.26 N ATOM 1072 CA LEU A 71 7.066 -4.670 6.345 1.00 1.36 C ATOM 1073 C LEU A 71 6.994 -4.606 7.875 1.00 1.44 C ATOM 1074 O LEU A 71 7.867 -4.015 8.516 1.00 2.32 O ATOM 1075 CB LEU A 71 7.727 -5.987 5.910 1.00 1.84 C ATOM 1076 CG LEU A 71 7.682 -6.232 4.392 1.00 1.54 C ATOM 1077 CD1 LEU A 71 8.713 -7.302 4.015 1.00 2.32 C ATOM 1078 CD2 LEU A 71 6.294 -6.708 3.947 1.00 2.14 C ATOM 0 H LEU A 71 8.665 -3.798 5.305 1.00 1.26 H new ATOM 0 HA LEU A 71 6.060 -4.625 5.928 1.00 1.36 H new ATOM 0 HB2 LEU A 71 8.766 -5.987 6.238 1.00 1.84 H new ATOM 0 HB3 LEU A 71 7.233 -6.816 6.417 1.00 1.84 H new ATOM 0 HG LEU A 71 7.908 -5.290 3.892 1.00 1.54 H new ATOM 0 HD11 LEU A 71 8.681 -7.475 2.939 1.00 2.32 H new ATOM 0 HD12 LEU A 71 9.709 -6.963 4.298 1.00 2.32 H new ATOM 0 HD13 LEU A 71 8.483 -8.230 4.539 1.00 2.32 H new ATOM 0 HD21 LEU A 71 6.294 -6.873 2.869 1.00 2.14 H new ATOM 0 HD22 LEU A 71 6.048 -7.640 4.456 1.00 2.14 H new ATOM 0 HD23 LEU A 71 5.552 -5.950 4.198 1.00 2.14 H new