USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 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 15 LYS NZ :NH3+ -168:sc= 1.36 (180deg=-0.671!) USER MOD Set 1.2: A 61 THR OG1 : rot 74:sc= 0.687 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 22 SER OG : rot 180:sc= -0.13 USER MOD Single : A 25 THR OG1 : rot -51:sc= 0.97 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HE2:sc= -0.184 F(o=-3.2!,f=-0.18) USER MOD Single : A 36 GLN : amide:sc= 0.201 X(o=0.2,f=-0.22) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -101:sc= 0.028 USER MOD Single : A 43 CYS SG : rot 68:sc= 0.945 USER MOD Single : A 46 MET CE :methyl 173:sc= -0.984 (180deg=-1.11) USER MOD Single : A 62 TYR OH : rot 38:sc= 0.817 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 72 MET CE :methyl -152:sc= -0.899 (180deg=-3.78!) USER MOD Single : A 73 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.83) USER MOD Single : A 77 HIS : no HD1:sc= -0.522 K(o=-0.52,f=-3.2) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= -0.0181 (180deg=-0.157) USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= 1.23 (180deg=0.786) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.510 -17.664 -3.770 1.00 4.42 N ATOM 149 CA GLU A 11 -6.497 -17.624 -4.835 1.00 63.35 C ATOM 150 C GLU A 11 -6.583 -18.983 -5.514 1.00 65.30 C ATOM 151 O GLU A 11 -7.560 -19.292 -6.176 1.00 63.31 O ATOM 152 CB GLU A 11 -6.138 -16.543 -5.859 1.00 43.04 C ATOM 153 CG GLU A 11 -7.271 -16.223 -6.816 1.00 24.34 C ATOM 154 CD GLU A 11 -6.854 -15.301 -7.942 1.00 61.13 C ATOM 155 OE1 GLU A 11 -6.762 -14.078 -7.720 1.00 32.30 O ATOM 156 OE2 GLU A 11 -6.636 -15.801 -9.064 1.00 13.11 O ATOM 0 HA GLU A 11 -7.468 -17.381 -4.403 1.00 63.35 H new ATOM 0 HB2 GLU A 11 -5.850 -15.634 -5.331 1.00 43.04 H new ATOM 0 HB3 GLU A 11 -5.269 -16.869 -6.431 1.00 43.04 H new ATOM 0 HG2 GLU A 11 -7.655 -17.152 -7.238 1.00 24.34 H new ATOM 0 HG3 GLU A 11 -8.088 -15.763 -6.261 1.00 24.34 H new ATOM 163 N GLN A 12 -5.547 -19.787 -5.333 1.00 13.11 N ATOM 164 CA GLN A 12 -5.519 -21.139 -5.861 1.00 71.30 C ATOM 165 C GLN A 12 -6.572 -22.011 -5.188 1.00 73.44 C ATOM 166 O GLN A 12 -7.410 -22.608 -5.854 1.00 21.22 O ATOM 167 CB GLN A 12 -4.125 -21.738 -5.657 1.00 22.42 C ATOM 168 CG GLN A 12 -4.047 -23.237 -5.891 1.00 42.13 C ATOM 169 CD GLN A 12 -2.657 -23.789 -5.647 1.00 10.52 C ATOM 170 OE1 GLN A 12 -1.898 -23.262 -4.830 1.00 2.14 O ATOM 171 NE2 GLN A 12 -2.312 -24.853 -6.348 1.00 63.24 N ATOM 0 H GLN A 12 -4.707 -19.521 -4.819 1.00 13.11 H new ATOM 0 HA GLN A 12 -5.746 -21.102 -6.926 1.00 71.30 H new ATOM 0 HB2 GLN A 12 -3.427 -21.240 -6.330 1.00 22.42 H new ATOM 0 HB3 GLN A 12 -3.796 -21.523 -4.640 1.00 22.42 H new ATOM 0 HG2 GLN A 12 -4.756 -23.742 -5.234 1.00 42.13 H new ATOM 0 HG3 GLN A 12 -4.348 -23.458 -6.915 1.00 42.13 H new ATOM 0 HE21 GLN A 12 -2.969 -25.260 -7.014 1.00 63.24 H new ATOM 0 HE22 GLN A 12 -1.389 -25.268 -6.223 1.00 63.24 H new ATOM 180 N LEU A 13 -6.549 -22.054 -3.867 1.00 45.13 N ATOM 181 CA LEU A 13 -7.388 -22.995 -3.140 1.00 41.42 C ATOM 182 C LEU A 13 -8.745 -22.391 -2.788 1.00 64.01 C ATOM 183 O LEU A 13 -9.667 -23.107 -2.399 1.00 41.12 O ATOM 184 CB LEU A 13 -6.649 -23.520 -1.900 1.00 63.14 C ATOM 185 CG LEU A 13 -6.257 -22.494 -0.836 1.00 30.32 C ATOM 186 CD1 LEU A 13 -7.421 -22.192 0.095 1.00 61.13 C ATOM 187 CD2 LEU A 13 -5.063 -23.000 -0.043 1.00 23.34 C ATOM 0 H LEU A 13 -5.966 -21.457 -3.280 1.00 45.13 H new ATOM 0 HA LEU A 13 -7.592 -23.844 -3.792 1.00 41.42 H new ATOM 0 HB2 LEU A 13 -7.277 -24.275 -1.427 1.00 63.14 H new ATOM 0 HB3 LEU A 13 -5.742 -24.024 -2.235 1.00 63.14 H new ATOM 0 HG LEU A 13 -5.985 -21.567 -1.340 1.00 30.32 H new ATOM 0 HD11 LEU A 13 -7.110 -21.459 0.840 1.00 61.13 H new ATOM 0 HD12 LEU A 13 -8.254 -21.792 -0.482 1.00 61.13 H new ATOM 0 HD13 LEU A 13 -7.734 -23.108 0.596 1.00 61.13 H new ATOM 0 HD21 LEU A 13 -4.790 -22.264 0.713 1.00 23.34 H new ATOM 0 HD22 LEU A 13 -5.321 -23.941 0.443 1.00 23.34 H new ATOM 0 HD23 LEU A 13 -4.220 -23.159 -0.716 1.00 23.34 H new ATOM 199 N ARG A 14 -8.870 -21.075 -2.926 1.00 60.24 N ATOM 200 CA ARG A 14 -10.155 -20.419 -2.715 1.00 63.33 C ATOM 201 C ARG A 14 -10.916 -20.305 -4.031 1.00 65.30 C ATOM 202 O ARG A 14 -12.087 -19.919 -4.047 1.00 62.21 O ATOM 203 CB ARG A 14 -9.990 -19.018 -2.114 1.00 75.44 C ATOM 204 CG ARG A 14 -9.293 -18.972 -0.763 1.00 54.31 C ATOM 205 CD ARG A 14 -9.560 -17.643 -0.071 1.00 12.22 C ATOM 206 NE ARG A 14 -8.723 -17.430 1.112 1.00 74.32 N ATOM 207 CZ ARG A 14 -8.974 -17.947 2.315 1.00 30.40 C ATOM 208 NH1 ARG A 14 -9.962 -18.817 2.475 1.00 72.13 N ATOM 209 NH2 ARG A 14 -8.225 -17.599 3.352 1.00 61.22 N ATOM 0 H ARG A 14 -8.107 -20.448 -3.180 1.00 60.24 H new ATOM 0 HA ARG A 14 -10.715 -21.035 -2.011 1.00 63.33 H new ATOM 0 HB2 ARG A 14 -9.428 -18.403 -2.816 1.00 75.44 H new ATOM 0 HB3 ARG A 14 -10.976 -18.565 -2.012 1.00 75.44 H new ATOM 0 HG2 ARG A 14 -9.645 -19.792 -0.137 1.00 54.31 H new ATOM 0 HG3 ARG A 14 -8.220 -19.111 -0.896 1.00 54.31 H new ATOM 0 HD2 ARG A 14 -9.390 -16.832 -0.779 1.00 12.22 H new ATOM 0 HD3 ARG A 14 -10.609 -17.597 0.221 1.00 12.22 H new ATOM 0 HE ARG A 14 -7.892 -16.847 1.009 1.00 74.32 H new ATOM 0 HH11 ARG A 14 -10.533 -19.093 1.676 1.00 72.13 H new ATOM 0 HH12 ARG A 14 -10.151 -19.210 3.397 1.00 72.13 H new ATOM 0 HH21 ARG A 14 -7.459 -16.937 3.228 1.00 61.22 H new ATOM 0 HH22 ARG A 14 -8.415 -17.993 4.273 1.00 61.22 H new ATOM 223 N LYS A 15 -10.248 -20.618 -5.137 1.00 14.22 N ATOM 224 CA LYS A 15 -10.879 -20.520 -6.440 1.00 13.14 C ATOM 225 C LYS A 15 -11.593 -21.808 -6.786 1.00 13.30 C ATOM 226 O LYS A 15 -11.077 -22.907 -6.568 1.00 3.10 O ATOM 227 CB LYS A 15 -9.863 -20.198 -7.529 1.00 45.24 C ATOM 228 CG LYS A 15 -10.491 -19.819 -8.861 1.00 50.14 C ATOM 229 CD LYS A 15 -9.441 -19.660 -9.948 1.00 24.25 C ATOM 230 CE LYS A 15 -8.406 -18.609 -9.587 1.00 3.33 C ATOM 231 NZ LYS A 15 -8.995 -17.251 -9.463 1.00 35.41 N ATOM 0 H LYS A 15 -9.280 -20.938 -5.154 1.00 14.22 H new ATOM 0 HA LYS A 15 -11.603 -19.707 -6.388 1.00 13.14 H new ATOM 0 HB2 LYS A 15 -9.229 -19.379 -7.191 1.00 45.24 H new ATOM 0 HB3 LYS A 15 -9.215 -21.062 -7.676 1.00 45.24 H new ATOM 0 HG2 LYS A 15 -11.209 -20.584 -9.157 1.00 50.14 H new ATOM 0 HG3 LYS A 15 -11.046 -18.887 -8.751 1.00 50.14 H new ATOM 0 HD2 LYS A 15 -8.944 -20.616 -10.116 1.00 24.25 H new ATOM 0 HD3 LYS A 15 -9.927 -19.385 -10.884 1.00 24.25 H new ATOM 0 HE2 LYS A 15 -7.928 -18.882 -8.646 1.00 3.33 H new ATOM 0 HE3 LYS A 15 -7.626 -18.595 -10.348 1.00 3.33 H new ATOM 0 HZ1 LYS A 15 -8.233 -16.545 -9.419 1.00 35.41 H new ATOM 0 HZ2 LYS A 15 -9.598 -17.058 -10.288 1.00 35.41 H new ATOM 0 HZ3 LYS A 15 -9.567 -17.198 -8.596 1.00 35.41 H new ATOM 245 N LEU A 16 -12.784 -21.660 -7.312 1.00 54.24 N ATOM 246 CA LEU A 16 -13.566 -22.781 -7.756 1.00 61.41 C ATOM 247 C LEU A 16 -13.476 -22.897 -9.269 1.00 71.13 C ATOM 248 O LEU A 16 -13.762 -21.943 -9.996 1.00 64.14 O ATOM 249 CB LEU A 16 -15.012 -22.587 -7.321 1.00 61.04 C ATOM 250 CG LEU A 16 -15.783 -23.866 -7.030 1.00 12.42 C ATOM 251 CD1 LEU A 16 -14.974 -24.769 -6.120 1.00 31.44 C ATOM 252 CD2 LEU A 16 -17.119 -23.529 -6.394 1.00 22.34 C ATOM 0 H LEU A 16 -13.237 -20.756 -7.443 1.00 54.24 H new ATOM 0 HA LEU A 16 -13.183 -23.700 -7.313 1.00 61.41 H new ATOM 0 HB2 LEU A 16 -15.024 -21.964 -6.427 1.00 61.04 H new ATOM 0 HB3 LEU A 16 -15.537 -22.036 -8.101 1.00 61.04 H new ATOM 0 HG LEU A 16 -15.964 -24.394 -7.966 1.00 12.42 H new ATOM 0 HD11 LEU A 16 -15.536 -25.681 -5.919 1.00 31.44 H new ATOM 0 HD12 LEU A 16 -14.031 -25.023 -6.604 1.00 31.44 H new ATOM 0 HD13 LEU A 16 -14.772 -24.253 -5.181 1.00 31.44 H new ATOM 0 HD21 LEU A 16 -17.666 -24.449 -6.188 1.00 22.34 H new ATOM 0 HD22 LEU A 16 -16.952 -22.989 -5.462 1.00 22.34 H new ATOM 0 HD23 LEU A 16 -17.699 -22.906 -7.075 1.00 22.34 H new ATOM 264 N PHE A 17 -13.046 -24.054 -9.727 1.00 64.32 N ATOM 265 CA PHE A 17 -12.968 -24.343 -11.144 1.00 43.20 C ATOM 266 C PHE A 17 -14.310 -24.868 -11.617 1.00 32.01 C ATOM 267 O PHE A 17 -14.740 -25.945 -11.205 1.00 23.35 O ATOM 268 CB PHE A 17 -11.857 -25.363 -11.420 1.00 30.53 C ATOM 269 CG PHE A 17 -11.829 -25.884 -12.831 1.00 40.51 C ATOM 270 CD1 PHE A 17 -11.726 -27.243 -13.075 1.00 41.12 C ATOM 271 CD2 PHE A 17 -11.903 -25.019 -13.911 1.00 72.04 C ATOM 272 CE1 PHE A 17 -11.695 -27.728 -14.368 1.00 51.40 C ATOM 273 CE2 PHE A 17 -11.875 -25.499 -15.205 1.00 11.31 C ATOM 274 CZ PHE A 17 -11.770 -26.855 -15.434 1.00 72.41 C ATOM 0 H PHE A 17 -12.741 -24.821 -9.128 1.00 64.32 H new ATOM 0 HA PHE A 17 -12.728 -23.431 -11.691 1.00 43.20 H new ATOM 0 HB2 PHE A 17 -10.894 -24.903 -11.196 1.00 30.53 H new ATOM 0 HB3 PHE A 17 -11.975 -26.204 -10.737 1.00 30.53 H new ATOM 0 HD1 PHE A 17 -11.669 -27.932 -12.245 1.00 41.12 H new ATOM 0 HD2 PHE A 17 -11.984 -23.956 -13.738 1.00 72.04 H new ATOM 0 HE1 PHE A 17 -11.612 -28.790 -14.545 1.00 51.40 H new ATOM 0 HE2 PHE A 17 -11.935 -24.813 -16.037 1.00 11.31 H new ATOM 0 HZ PHE A 17 -11.747 -27.233 -16.446 1.00 72.41 H new ATOM 284 N ILE A 18 -14.978 -24.091 -12.454 1.00 63.42 N ATOM 285 CA ILE A 18 -16.304 -24.444 -12.923 1.00 42.24 C ATOM 286 C ILE A 18 -16.232 -24.948 -14.349 1.00 31.44 C ATOM 287 O ILE A 18 -16.131 -24.159 -15.286 1.00 32.43 O ATOM 288 CB ILE A 18 -17.267 -23.240 -12.876 1.00 74.30 C ATOM 289 CG1 ILE A 18 -17.103 -22.467 -11.565 1.00 13.20 C ATOM 290 CG2 ILE A 18 -18.704 -23.707 -13.048 1.00 2.45 C ATOM 291 CD1 ILE A 18 -17.236 -23.321 -10.324 1.00 60.53 C ATOM 0 H ILE A 18 -14.621 -23.210 -12.822 1.00 63.42 H new ATOM 0 HA ILE A 18 -16.684 -25.222 -12.261 1.00 42.24 H new ATOM 0 HB ILE A 18 -17.021 -22.568 -13.698 1.00 74.30 H new ATOM 0 HG12 ILE A 18 -16.125 -21.986 -11.559 1.00 13.20 H new ATOM 0 HG13 ILE A 18 -17.849 -21.673 -11.528 1.00 13.20 H new ATOM 0 HG21 ILE A 18 -19.373 -22.847 -13.013 1.00 2.45 H new ATOM 0 HG22 ILE A 18 -18.810 -24.210 -14.009 1.00 2.45 H new ATOM 0 HG23 ILE A 18 -18.960 -24.399 -12.246 1.00 2.45 H new ATOM 0 HD11 ILE A 18 -17.107 -22.699 -9.438 1.00 60.53 H new ATOM 0 HD12 ILE A 18 -18.224 -23.781 -10.303 1.00 60.53 H new ATOM 0 HD13 ILE A 18 -16.473 -24.099 -10.335 1.00 60.53 H new ATOM 303 N GLY A 19 -16.282 -26.253 -14.513 1.00 11.45 N ATOM 304 CA GLY A 19 -16.161 -26.819 -15.838 1.00 64.43 C ATOM 305 C GLY A 19 -17.444 -27.460 -16.309 1.00 11.42 C ATOM 306 O GLY A 19 -18.176 -28.058 -15.516 1.00 22.33 O ATOM 0 H GLY A 19 -16.403 -26.931 -13.760 1.00 11.45 H new ATOM 0 HA2 GLY A 19 -15.870 -26.037 -16.539 1.00 64.43 H new ATOM 0 HA3 GLY A 19 -15.364 -27.563 -15.841 1.00 64.43 H new ATOM 310 N GLY A 20 -17.723 -27.317 -17.596 1.00 74.12 N ATOM 311 CA GLY A 20 -18.882 -27.951 -18.182 1.00 64.41 C ATOM 312 C GLY A 20 -20.113 -27.074 -18.128 1.00 21.41 C ATOM 313 O GLY A 20 -21.227 -27.571 -17.971 1.00 60.13 O ATOM 0 H GLY A 20 -17.162 -26.769 -18.248 1.00 74.12 H new ATOM 0 HA2 GLY A 20 -18.667 -28.206 -19.220 1.00 64.41 H new ATOM 0 HA3 GLY A 20 -19.083 -28.886 -17.660 1.00 64.41 H new ATOM 317 N LEU A 21 -19.920 -25.771 -18.260 1.00 63.35 N ATOM 318 CA LEU A 21 -21.035 -24.838 -18.234 1.00 43.32 C ATOM 319 C LEU A 21 -21.458 -24.445 -19.646 1.00 34.30 C ATOM 320 O LEU A 21 -20.818 -24.831 -20.628 1.00 5.50 O ATOM 321 CB LEU A 21 -20.704 -23.604 -17.378 1.00 31.12 C ATOM 322 CG LEU A 21 -19.312 -22.995 -17.571 1.00 10.51 C ATOM 323 CD1 LEU A 21 -19.249 -22.151 -18.832 1.00 52.25 C ATOM 324 CD2 LEU A 21 -18.934 -22.163 -16.358 1.00 33.34 C ATOM 0 H LEU A 21 -19.006 -25.337 -18.386 1.00 63.35 H new ATOM 0 HA LEU A 21 -21.883 -25.341 -17.769 1.00 43.32 H new ATOM 0 HB2 LEU A 21 -21.446 -22.834 -17.588 1.00 31.12 H new ATOM 0 HB3 LEU A 21 -20.815 -23.876 -16.328 1.00 31.12 H new ATOM 0 HG LEU A 21 -18.597 -23.811 -17.680 1.00 10.51 H new ATOM 0 HD11 LEU A 21 -18.248 -21.733 -18.940 1.00 52.25 H new ATOM 0 HD12 LEU A 21 -19.478 -22.772 -19.698 1.00 52.25 H new ATOM 0 HD13 LEU A 21 -19.975 -21.341 -18.764 1.00 52.25 H new ATOM 0 HD21 LEU A 21 -17.943 -21.735 -16.505 1.00 33.34 H new ATOM 0 HD22 LEU A 21 -19.660 -21.361 -16.226 1.00 33.34 H new ATOM 0 HD23 LEU A 21 -18.928 -22.796 -15.470 1.00 33.34 H new ATOM 336 N SER A 22 -22.538 -23.687 -19.735 1.00 75.21 N ATOM 337 CA SER A 22 -23.130 -23.330 -21.013 1.00 74.12 C ATOM 338 C SER A 22 -22.316 -22.251 -21.725 1.00 64.32 C ATOM 339 O SER A 22 -21.436 -21.619 -21.137 1.00 1.43 O ATOM 340 CB SER A 22 -24.568 -22.848 -20.794 1.00 4.31 C ATOM 341 OG SER A 22 -25.222 -22.589 -22.024 1.00 72.22 O ATOM 0 H SER A 22 -23.027 -23.303 -18.927 1.00 75.21 H new ATOM 0 HA SER A 22 -23.132 -24.215 -21.649 1.00 74.12 H new ATOM 0 HB2 SER A 22 -25.124 -23.601 -20.236 1.00 4.31 H new ATOM 0 HB3 SER A 22 -24.561 -21.943 -20.187 1.00 4.31 H new ATOM 0 HG SER A 22 -26.137 -22.285 -21.850 1.00 72.22 H new ATOM 347 N PHE A 23 -22.628 -22.037 -22.995 1.00 15.34 N ATOM 348 CA PHE A 23 -21.978 -21.000 -23.776 1.00 72.12 C ATOM 349 C PHE A 23 -22.693 -19.675 -23.562 1.00 21.24 C ATOM 350 O PHE A 23 -22.302 -18.637 -24.097 1.00 33.21 O ATOM 351 CB PHE A 23 -21.955 -21.378 -25.257 1.00 24.13 C ATOM 352 CG PHE A 23 -21.255 -22.680 -25.514 1.00 52.12 C ATOM 353 CD1 PHE A 23 -21.979 -23.838 -25.747 1.00 3.13 C ATOM 354 CD2 PHE A 23 -19.872 -22.750 -25.507 1.00 51.33 C ATOM 355 CE1 PHE A 23 -21.338 -25.040 -25.968 1.00 55.32 C ATOM 356 CE2 PHE A 23 -19.223 -23.949 -25.731 1.00 53.14 C ATOM 357 CZ PHE A 23 -19.957 -25.095 -25.961 1.00 74.54 C ATOM 0 H PHE A 23 -23.331 -22.571 -23.506 1.00 15.34 H new ATOM 0 HA PHE A 23 -20.945 -20.897 -23.444 1.00 72.12 H new ATOM 0 HB2 PHE A 23 -22.978 -21.442 -25.627 1.00 24.13 H new ATOM 0 HB3 PHE A 23 -21.461 -20.587 -25.821 1.00 24.13 H new ATOM 0 HD1 PHE A 23 -23.058 -23.800 -25.756 1.00 3.13 H new ATOM 0 HD2 PHE A 23 -19.294 -21.856 -25.324 1.00 51.33 H new ATOM 0 HE1 PHE A 23 -21.914 -25.936 -26.146 1.00 55.32 H new ATOM 0 HE2 PHE A 23 -18.144 -23.989 -25.726 1.00 53.14 H new ATOM 0 HZ PHE A 23 -19.453 -26.034 -26.135 1.00 74.54 H new ATOM 367 N GLU A 24 -23.745 -19.734 -22.758 1.00 22.31 N ATOM 368 CA GLU A 24 -24.491 -18.552 -22.373 1.00 52.11 C ATOM 369 C GLU A 24 -23.979 -18.044 -21.031 1.00 33.54 C ATOM 370 O GLU A 24 -24.333 -16.951 -20.582 1.00 31.54 O ATOM 371 CB GLU A 24 -25.978 -18.892 -22.275 1.00 53.24 C ATOM 372 CG GLU A 24 -26.486 -19.702 -23.456 1.00 1.55 C ATOM 373 CD GLU A 24 -27.957 -20.037 -23.346 1.00 63.14 C ATOM 374 OE1 GLU A 24 -28.290 -21.106 -22.791 1.00 32.52 O ATOM 375 OE2 GLU A 24 -28.793 -19.242 -23.827 1.00 23.52 O ATOM 0 H GLU A 24 -24.102 -20.601 -22.357 1.00 22.31 H new ATOM 0 HA GLU A 24 -24.356 -17.774 -23.124 1.00 52.11 H new ATOM 0 HB2 GLU A 24 -26.157 -19.450 -21.356 1.00 53.24 H new ATOM 0 HB3 GLU A 24 -26.551 -17.968 -22.203 1.00 53.24 H new ATOM 0 HG2 GLU A 24 -26.313 -19.143 -24.376 1.00 1.55 H new ATOM 0 HG3 GLU A 24 -25.912 -20.626 -23.531 1.00 1.55 H new ATOM 382 N THR A 25 -23.136 -18.853 -20.406 1.00 11.34 N ATOM 383 CA THR A 25 -22.596 -18.546 -19.097 1.00 73.22 C ATOM 384 C THR A 25 -21.491 -17.499 -19.183 1.00 11.50 C ATOM 385 O THR A 25 -20.369 -17.788 -19.603 1.00 13.21 O ATOM 386 CB THR A 25 -22.063 -19.824 -18.422 1.00 33.32 C ATOM 387 OG1 THR A 25 -23.108 -20.806 -18.373 1.00 61.31 O ATOM 388 CG2 THR A 25 -21.576 -19.534 -17.011 1.00 34.43 C ATOM 0 H THR A 25 -22.810 -19.738 -20.794 1.00 11.34 H new ATOM 0 HA THR A 25 -23.405 -18.135 -18.493 1.00 73.22 H new ATOM 0 HB THR A 25 -21.222 -20.199 -19.006 1.00 33.32 H new ATOM 0 HG1 THR A 25 -23.912 -20.408 -17.979 1.00 61.31 H new ATOM 0 HG21 THR A 25 -21.205 -20.453 -16.558 1.00 34.43 H new ATOM 0 HG22 THR A 25 -20.773 -18.798 -17.047 1.00 34.43 H new ATOM 0 HG23 THR A 25 -22.400 -19.143 -16.415 1.00 34.43 H new ATOM 396 N THR A 26 -21.828 -16.279 -18.799 1.00 24.32 N ATOM 397 CA THR A 26 -20.874 -15.188 -18.793 1.00 33.24 C ATOM 398 C THR A 26 -20.483 -14.836 -17.359 1.00 10.44 C ATOM 399 O THR A 26 -21.105 -15.313 -16.411 1.00 63.11 O ATOM 400 CB THR A 26 -21.435 -13.951 -19.532 1.00 44.14 C ATOM 401 OG1 THR A 26 -20.510 -12.858 -19.468 1.00 11.10 O ATOM 402 CG2 THR A 26 -22.775 -13.528 -18.952 1.00 70.21 C ATOM 0 H THR A 26 -22.764 -16.020 -18.485 1.00 24.32 H new ATOM 0 HA THR A 26 -19.980 -15.512 -19.326 1.00 33.24 H new ATOM 0 HB THR A 26 -21.581 -14.229 -20.576 1.00 44.14 H new ATOM 0 HG1 THR A 26 -20.883 -12.086 -19.943 1.00 11.10 H new ATOM 0 HG21 THR A 26 -23.146 -12.656 -19.491 1.00 70.21 H new ATOM 0 HG22 THR A 26 -23.489 -14.346 -19.051 1.00 70.21 H new ATOM 0 HG23 THR A 26 -22.653 -13.278 -17.898 1.00 70.21 H new ATOM 410 N ASP A 27 -19.458 -14.000 -17.216 1.00 1.32 N ATOM 411 CA ASP A 27 -18.888 -13.649 -15.911 1.00 62.34 C ATOM 412 C ASP A 27 -19.958 -13.174 -14.935 1.00 24.51 C ATOM 413 O ASP A 27 -20.038 -13.651 -13.802 1.00 14.01 O ATOM 414 CB ASP A 27 -17.816 -12.570 -16.098 1.00 22.05 C ATOM 415 CG ASP A 27 -17.445 -11.859 -14.810 1.00 61.52 C ATOM 416 OD1 ASP A 27 -16.857 -12.493 -13.918 1.00 22.23 O ATOM 417 OD2 ASP A 27 -17.721 -10.645 -14.701 1.00 72.33 O ATOM 0 H ASP A 27 -18.995 -13.544 -18.002 1.00 1.32 H new ATOM 0 HA ASP A 27 -18.437 -14.544 -15.483 1.00 62.34 H new ATOM 0 HB2 ASP A 27 -16.922 -13.026 -16.523 1.00 22.05 H new ATOM 0 HB3 ASP A 27 -18.173 -11.835 -16.820 1.00 22.05 H new ATOM 422 N GLU A 28 -20.799 -12.260 -15.393 1.00 54.11 N ATOM 423 CA GLU A 28 -21.855 -11.705 -14.560 1.00 12.55 C ATOM 424 C GLU A 28 -22.854 -12.776 -14.138 1.00 1.41 C ATOM 425 O GLU A 28 -23.332 -12.779 -13.002 1.00 73.42 O ATOM 426 CB GLU A 28 -22.564 -10.575 -15.306 1.00 34.43 C ATOM 427 CG GLU A 28 -23.153 -10.997 -16.642 1.00 21.44 C ATOM 428 CD GLU A 28 -23.755 -9.841 -17.412 1.00 33.14 C ATOM 429 OE1 GLU A 28 -24.964 -9.584 -17.259 1.00 42.11 O ATOM 430 OE2 GLU A 28 -23.019 -9.189 -18.185 1.00 1.14 O ATOM 0 H GLU A 28 -20.771 -11.885 -16.341 1.00 54.11 H new ATOM 0 HA GLU A 28 -21.400 -11.306 -13.653 1.00 12.55 H new ATOM 0 HB2 GLU A 28 -23.361 -10.181 -14.676 1.00 34.43 H new ATOM 0 HB3 GLU A 28 -21.857 -9.762 -15.472 1.00 34.43 H new ATOM 0 HG2 GLU A 28 -22.374 -11.463 -17.246 1.00 21.44 H new ATOM 0 HG3 GLU A 28 -23.920 -11.753 -16.473 1.00 21.44 H new ATOM 437 N SER A 29 -23.152 -13.702 -15.036 1.00 21.24 N ATOM 438 CA SER A 29 -24.120 -14.739 -14.742 1.00 4.13 C ATOM 439 C SER A 29 -23.486 -15.812 -13.873 1.00 21.22 C ATOM 440 O SER A 29 -24.141 -16.390 -13.008 1.00 72.34 O ATOM 441 CB SER A 29 -24.664 -15.326 -16.040 1.00 33.11 C ATOM 442 OG SER A 29 -25.256 -14.304 -16.826 1.00 2.40 O ATOM 0 H SER A 29 -22.739 -13.754 -15.967 1.00 21.24 H new ATOM 0 HA SER A 29 -24.955 -14.309 -14.189 1.00 4.13 H new ATOM 0 HB2 SER A 29 -23.859 -15.804 -16.598 1.00 33.11 H new ATOM 0 HB3 SER A 29 -25.401 -16.098 -15.819 1.00 33.11 H new ATOM 0 HG SER A 29 -25.601 -14.690 -17.658 1.00 2.40 H new ATOM 448 N LEU A 30 -22.195 -16.033 -14.068 1.00 22.45 N ATOM 449 CA LEU A 30 -21.477 -17.033 -13.295 1.00 11.42 C ATOM 450 C LEU A 30 -21.422 -16.609 -11.841 1.00 60.25 C ATOM 451 O LEU A 30 -21.734 -17.389 -10.940 1.00 62.12 O ATOM 452 CB LEU A 30 -20.051 -17.231 -13.815 1.00 63.44 C ATOM 453 CG LEU A 30 -19.248 -18.299 -13.064 1.00 44.24 C ATOM 454 CD1 LEU A 30 -19.693 -19.691 -13.476 1.00 13.33 C ATOM 455 CD2 LEU A 30 -17.755 -18.126 -13.283 1.00 52.52 C ATOM 0 H LEU A 30 -21.625 -15.535 -14.752 1.00 22.45 H new ATOM 0 HA LEU A 30 -22.011 -17.978 -13.394 1.00 11.42 H new ATOM 0 HB2 LEU A 30 -20.096 -17.502 -14.870 1.00 63.44 H new ATOM 0 HB3 LEU A 30 -19.519 -16.282 -13.752 1.00 63.44 H new ATOM 0 HG LEU A 30 -19.443 -18.174 -11.999 1.00 44.24 H new ATOM 0 HD11 LEU A 30 -19.111 -20.435 -12.932 1.00 13.33 H new ATOM 0 HD12 LEU A 30 -20.751 -19.818 -13.245 1.00 13.33 H new ATOM 0 HD13 LEU A 30 -19.537 -19.821 -14.547 1.00 13.33 H new ATOM 0 HD21 LEU A 30 -17.215 -18.899 -12.737 1.00 52.52 H new ATOM 0 HD22 LEU A 30 -17.531 -18.210 -14.346 1.00 52.52 H new ATOM 0 HD23 LEU A 30 -17.446 -17.145 -12.923 1.00 52.52 H new ATOM 467 N ARG A 31 -21.042 -15.359 -11.619 1.00 73.03 N ATOM 468 CA ARG A 31 -20.916 -14.851 -10.272 1.00 25.20 C ATOM 469 C ARG A 31 -22.279 -14.815 -9.591 1.00 3.00 C ATOM 470 O ARG A 31 -22.392 -15.167 -8.434 1.00 72.01 O ATOM 471 CB ARG A 31 -20.259 -13.462 -10.250 1.00 14.20 C ATOM 472 CG ARG A 31 -21.242 -12.305 -10.263 1.00 44.34 C ATOM 473 CD ARG A 31 -20.533 -10.964 -10.253 1.00 4.41 C ATOM 474 NE ARG A 31 -19.910 -10.691 -8.962 1.00 4.55 N ATOM 475 CZ ARG A 31 -18.821 -9.941 -8.806 1.00 60.04 C ATOM 476 NH1 ARG A 31 -18.213 -9.415 -9.864 1.00 45.23 N ATOM 477 NH2 ARG A 31 -18.336 -9.722 -7.591 1.00 71.51 N ATOM 0 H ARG A 31 -20.818 -14.686 -12.352 1.00 73.03 H new ATOM 0 HA ARG A 31 -20.265 -15.528 -9.719 1.00 25.20 H new ATOM 0 HB2 ARG A 31 -19.634 -13.383 -9.360 1.00 14.20 H new ATOM 0 HB3 ARG A 31 -19.598 -13.372 -11.112 1.00 14.20 H new ATOM 0 HG2 ARG A 31 -21.875 -12.375 -11.148 1.00 44.34 H new ATOM 0 HG3 ARG A 31 -21.898 -12.376 -9.396 1.00 44.34 H new ATOM 0 HD2 ARG A 31 -19.773 -10.949 -11.034 1.00 4.41 H new ATOM 0 HD3 ARG A 31 -21.246 -10.174 -10.487 1.00 4.41 H new ATOM 0 HE ARG A 31 -20.334 -11.099 -8.129 1.00 4.55 H new ATOM 0 HH11 ARG A 31 -18.580 -9.585 -10.800 1.00 45.23 H new ATOM 0 HH12 ARG A 31 -17.379 -8.841 -9.740 1.00 45.23 H new ATOM 0 HH21 ARG A 31 -18.797 -10.128 -6.777 1.00 71.51 H new ATOM 0 HH22 ARG A 31 -17.502 -9.148 -7.471 1.00 71.51 H new ATOM 491 N SER A 32 -23.318 -14.435 -10.324 1.00 34.23 N ATOM 492 CA SER A 32 -24.643 -14.310 -9.734 1.00 11.32 C ATOM 493 C SER A 32 -25.135 -15.657 -9.207 1.00 53.41 C ATOM 494 O SER A 32 -25.746 -15.730 -8.138 1.00 1.13 O ATOM 495 CB SER A 32 -25.629 -13.741 -10.758 1.00 1.14 C ATOM 496 OG SER A 32 -26.881 -13.444 -10.161 1.00 64.03 O ATOM 0 H SER A 32 -23.270 -14.210 -11.318 1.00 34.23 H new ATOM 0 HA SER A 32 -24.578 -13.621 -8.892 1.00 11.32 H new ATOM 0 HB2 SER A 32 -25.213 -12.837 -11.203 1.00 1.14 H new ATOM 0 HB3 SER A 32 -25.771 -14.458 -11.567 1.00 1.14 H new ATOM 0 HG SER A 32 -27.489 -13.081 -10.839 1.00 64.03 H new ATOM 502 N HIS A 33 -24.847 -16.725 -9.944 1.00 41.40 N ATOM 503 CA HIS A 33 -25.244 -18.059 -9.521 1.00 4.50 C ATOM 504 C HIS A 33 -24.362 -18.560 -8.379 1.00 71.24 C ATOM 505 O HIS A 33 -24.845 -19.178 -7.439 1.00 50.33 O ATOM 506 CB HIS A 33 -25.206 -19.048 -10.696 1.00 3.41 C ATOM 507 CG HIS A 33 -26.354 -18.898 -11.651 1.00 12.14 C ATOM 508 ND1 HIS A 33 -26.419 -18.231 -12.827 1.00 74.22 N flip ATOM 509 CD2 HIS A 33 -27.565 -19.501 -11.414 1.00 15.10 C flip ATOM 510 CE1 HIS A 33 -27.681 -18.423 -13.330 1.00 12.23 C flip ATOM 511 NE2 HIS A 33 -28.332 -19.191 -12.445 1.00 62.24 N flip ATOM 0 H HIS A 33 -24.344 -16.692 -10.831 1.00 41.40 H new ATOM 0 HA HIS A 33 -26.270 -17.995 -9.160 1.00 4.50 H new ATOM 0 HB2 HIS A 33 -24.272 -18.914 -11.241 1.00 3.41 H new ATOM 0 HB3 HIS A 33 -25.203 -20.065 -10.303 1.00 3.41 H new ATOM 0 HD1 HIS A 33 -25.671 -17.688 -13.258 1.00 74.22 H new ATOM 0 HD2 HIS A 33 -27.835 -20.105 -10.560 1.00 15.10 H new ATOM 0 HE1 HIS A 33 -28.073 -18.032 -14.257 1.00 12.23 H new ATOM 519 N PHE A 34 -23.074 -18.274 -8.439 1.00 34.33 N ATOM 520 CA PHE A 34 -22.152 -18.791 -7.435 1.00 71.23 C ATOM 521 C PHE A 34 -22.081 -17.907 -6.193 1.00 12.15 C ATOM 522 O PHE A 34 -21.685 -18.373 -5.127 1.00 43.41 O ATOM 523 CB PHE A 34 -20.766 -19.017 -8.034 1.00 4.42 C ATOM 524 CG PHE A 34 -20.668 -20.316 -8.786 1.00 11.32 C ATOM 525 CD1 PHE A 34 -20.290 -21.476 -8.131 1.00 13.33 C ATOM 526 CD2 PHE A 34 -20.968 -20.382 -10.135 1.00 54.12 C ATOM 527 CE1 PHE A 34 -20.212 -22.678 -8.807 1.00 20.22 C ATOM 528 CE2 PHE A 34 -20.889 -21.581 -10.819 1.00 12.40 C ATOM 529 CZ PHE A 34 -20.512 -22.731 -10.153 1.00 41.40 C ATOM 0 H PHE A 34 -22.644 -17.695 -9.160 1.00 34.33 H new ATOM 0 HA PHE A 34 -22.546 -19.753 -7.108 1.00 71.23 H new ATOM 0 HB2 PHE A 34 -20.525 -18.193 -8.706 1.00 4.42 H new ATOM 0 HB3 PHE A 34 -20.023 -19.006 -7.237 1.00 4.42 H new ATOM 0 HD1 PHE A 34 -20.053 -21.440 -7.078 1.00 13.33 H new ATOM 0 HD2 PHE A 34 -21.267 -19.487 -10.660 1.00 54.12 H new ATOM 0 HE1 PHE A 34 -19.917 -23.575 -8.283 1.00 20.22 H new ATOM 0 HE2 PHE A 34 -21.122 -21.618 -11.873 1.00 12.40 H new ATOM 0 HZ PHE A 34 -20.452 -23.669 -10.684 1.00 41.40 H new ATOM 539 N GLU A 35 -22.492 -16.646 -6.307 1.00 60.02 N ATOM 540 CA GLU A 35 -22.546 -15.763 -5.143 1.00 62.51 C ATOM 541 C GLU A 35 -23.785 -16.057 -4.303 1.00 54.43 C ATOM 542 O GLU A 35 -24.116 -15.322 -3.375 1.00 45.34 O ATOM 543 CB GLU A 35 -22.500 -14.281 -5.533 1.00 41.42 C ATOM 544 CG GLU A 35 -21.141 -13.851 -6.060 1.00 72.21 C ATOM 545 CD GLU A 35 -20.930 -12.355 -6.031 1.00 44.10 C ATOM 546 OE1 GLU A 35 -20.250 -11.871 -5.104 1.00 11.53 O ATOM 547 OE2 GLU A 35 -21.421 -11.656 -6.939 1.00 74.41 O ATOM 0 H GLU A 35 -22.790 -16.216 -7.183 1.00 60.02 H new ATOM 0 HA GLU A 35 -21.657 -15.966 -4.546 1.00 62.51 H new ATOM 0 HB2 GLU A 35 -23.257 -14.087 -6.293 1.00 41.42 H new ATOM 0 HB3 GLU A 35 -22.756 -13.674 -4.665 1.00 41.42 H new ATOM 0 HG2 GLU A 35 -20.362 -14.332 -5.468 1.00 72.21 H new ATOM 0 HG3 GLU A 35 -21.028 -14.206 -7.084 1.00 72.21 H new ATOM 554 N GLN A 36 -24.451 -17.152 -4.631 1.00 71.31 N ATOM 555 CA GLN A 36 -25.617 -17.602 -3.890 1.00 41.32 C ATOM 556 C GLN A 36 -25.212 -18.402 -2.653 1.00 65.31 C ATOM 557 O GLN A 36 -25.956 -18.464 -1.676 1.00 72.52 O ATOM 558 CB GLN A 36 -26.514 -18.451 -4.787 1.00 53.12 C ATOM 559 CG GLN A 36 -27.453 -17.637 -5.668 1.00 52.21 C ATOM 560 CD GLN A 36 -28.174 -18.476 -6.712 1.00 22.04 C ATOM 561 OE1 GLN A 36 -29.327 -18.210 -7.052 1.00 74.15 O ATOM 562 NE2 GLN A 36 -27.487 -19.462 -7.267 1.00 12.31 N ATOM 0 H GLN A 36 -24.199 -17.752 -5.416 1.00 71.31 H new ATOM 0 HA GLN A 36 -26.166 -16.720 -3.560 1.00 41.32 H new ATOM 0 HB2 GLN A 36 -25.888 -19.078 -5.422 1.00 53.12 H new ATOM 0 HB3 GLN A 36 -27.106 -19.121 -4.163 1.00 53.12 H new ATOM 0 HG2 GLN A 36 -28.191 -17.139 -5.039 1.00 52.21 H new ATOM 0 HG3 GLN A 36 -26.883 -16.855 -6.170 1.00 52.21 H new ATOM 0 HE21 GLN A 36 -26.533 -19.655 -6.961 1.00 12.31 H new ATOM 0 HE22 GLN A 36 -27.911 -20.029 -8.001 1.00 12.31 H new ATOM 571 N TRP A 37 -24.032 -19.013 -2.700 1.00 24.41 N ATOM 572 CA TRP A 37 -23.539 -19.804 -1.575 1.00 53.21 C ATOM 573 C TRP A 37 -22.319 -19.141 -0.951 1.00 13.24 C ATOM 574 O TRP A 37 -21.620 -19.743 -0.134 1.00 20.51 O ATOM 575 CB TRP A 37 -23.191 -21.236 -2.013 1.00 52.11 C ATOM 576 CG TRP A 37 -24.378 -22.028 -2.480 1.00 75.10 C ATOM 577 CD1 TRP A 37 -25.146 -22.868 -1.726 1.00 14.13 C ATOM 578 CD2 TRP A 37 -24.932 -22.062 -3.801 1.00 43.23 C ATOM 579 NE1 TRP A 37 -26.145 -23.411 -2.492 1.00 55.04 N ATOM 580 CE2 TRP A 37 -26.035 -22.937 -3.769 1.00 33.24 C ATOM 581 CE3 TRP A 37 -24.607 -21.440 -5.007 1.00 51.10 C ATOM 582 CZ2 TRP A 37 -26.812 -23.202 -4.893 1.00 25.14 C ATOM 583 CZ3 TRP A 37 -25.379 -21.706 -6.121 1.00 64.03 C ATOM 584 CH2 TRP A 37 -26.469 -22.579 -6.058 1.00 52.13 C ATOM 0 H TRP A 37 -23.401 -18.977 -3.501 1.00 24.41 H new ATOM 0 HA TRP A 37 -24.335 -19.856 -0.832 1.00 53.21 H new ATOM 0 HB2 TRP A 37 -22.455 -21.192 -2.816 1.00 52.11 H new ATOM 0 HB3 TRP A 37 -22.722 -21.758 -1.179 1.00 52.11 H new ATOM 0 HD1 TRP A 37 -24.989 -23.075 -0.678 1.00 14.13 H new ATOM 0 HE1 TRP A 37 -26.856 -24.064 -2.162 1.00 55.04 H new ATOM 0 HE3 TRP A 37 -23.768 -20.763 -5.068 1.00 51.10 H new ATOM 0 HZ2 TRP A 37 -27.655 -23.875 -4.845 1.00 25.14 H new ATOM 0 HZ3 TRP A 37 -25.136 -21.230 -7.059 1.00 64.03 H new ATOM 0 HH2 TRP A 37 -27.051 -22.764 -6.949 1.00 52.13 H new ATOM 595 N GLY A 38 -22.070 -17.895 -1.333 1.00 40.13 N ATOM 596 CA GLY A 38 -20.927 -17.180 -0.794 1.00 60.44 C ATOM 597 C GLY A 38 -20.592 -15.921 -1.569 1.00 33.25 C ATOM 598 O GLY A 38 -21.358 -15.489 -2.424 1.00 21.33 O ATOM 0 H GLY A 38 -22.633 -17.369 -2.001 1.00 40.13 H new ATOM 0 HA2 GLY A 38 -21.128 -16.917 0.245 1.00 60.44 H new ATOM 0 HA3 GLY A 38 -20.060 -17.841 -0.794 1.00 60.44 H new ATOM 602 N THR A 39 -19.448 -15.332 -1.260 1.00 51.00 N ATOM 603 CA THR A 39 -19.003 -14.105 -1.904 1.00 21.24 C ATOM 604 C THR A 39 -17.830 -14.381 -2.845 1.00 31.24 C ATOM 605 O THR A 39 -16.810 -14.911 -2.422 1.00 41.44 O ATOM 606 CB THR A 39 -18.575 -13.074 -0.839 1.00 15.20 C ATOM 607 OG1 THR A 39 -19.706 -12.692 -0.039 1.00 43.25 O ATOM 608 CG2 THR A 39 -17.948 -11.841 -1.475 1.00 24.13 C ATOM 0 H THR A 39 -18.802 -15.690 -0.557 1.00 51.00 H new ATOM 0 HA THR A 39 -19.834 -13.705 -2.486 1.00 21.24 H new ATOM 0 HB THR A 39 -17.823 -13.543 -0.204 1.00 15.20 H new ATOM 0 HG1 THR A 39 -19.424 -12.039 0.635 1.00 43.25 H new ATOM 0 HG21 THR A 39 -17.659 -11.137 -0.695 1.00 24.13 H new ATOM 0 HG22 THR A 39 -17.066 -12.134 -2.045 1.00 24.13 H new ATOM 0 HG23 THR A 39 -18.670 -11.368 -2.141 1.00 24.13 H new ATOM 616 N LEU A 40 -17.969 -14.027 -4.118 1.00 71.03 N ATOM 617 CA LEU A 40 -16.886 -14.229 -5.069 1.00 11.54 C ATOM 618 C LEU A 40 -16.020 -12.983 -5.157 1.00 14.24 C ATOM 619 O LEU A 40 -16.430 -11.959 -5.699 1.00 71.34 O ATOM 620 CB LEU A 40 -17.439 -14.599 -6.446 1.00 44.11 C ATOM 621 CG LEU A 40 -18.395 -15.783 -6.434 1.00 2.35 C ATOM 622 CD1 LEU A 40 -19.073 -15.937 -7.775 1.00 35.31 C ATOM 623 CD2 LEU A 40 -17.664 -17.051 -6.044 1.00 44.44 C ATOM 0 H LEU A 40 -18.810 -13.604 -4.510 1.00 71.03 H new ATOM 0 HA LEU A 40 -16.268 -15.055 -4.718 1.00 11.54 H new ATOM 0 HB2 LEU A 40 -17.954 -13.734 -6.863 1.00 44.11 H new ATOM 0 HB3 LEU A 40 -16.606 -14.825 -7.111 1.00 44.11 H new ATOM 0 HG LEU A 40 -19.168 -15.595 -5.689 1.00 2.35 H new ATOM 0 HD11 LEU A 40 -19.752 -16.789 -7.744 1.00 35.31 H new ATOM 0 HD12 LEU A 40 -19.637 -15.032 -8.004 1.00 35.31 H new ATOM 0 HD13 LEU A 40 -18.321 -16.101 -8.546 1.00 35.31 H new ATOM 0 HD21 LEU A 40 -18.363 -17.887 -6.041 1.00 44.44 H new ATOM 0 HD22 LEU A 40 -16.867 -17.247 -6.761 1.00 44.44 H new ATOM 0 HD23 LEU A 40 -17.235 -16.932 -5.049 1.00 44.44 H new ATOM 635 N THR A 41 -14.824 -13.084 -4.606 1.00 25.24 N ATOM 636 CA THR A 41 -13.881 -11.982 -4.587 1.00 31.53 C ATOM 637 C THR A 41 -13.164 -11.874 -5.928 1.00 41.12 C ATOM 638 O THR A 41 -12.542 -10.855 -6.245 1.00 54.43 O ATOM 639 CB THR A 41 -12.852 -12.173 -3.455 1.00 3.31 C ATOM 640 OG1 THR A 41 -12.210 -13.454 -3.578 1.00 44.42 O ATOM 641 CG2 THR A 41 -13.531 -12.082 -2.098 1.00 33.32 C ATOM 0 H THR A 41 -14.479 -13.933 -4.159 1.00 25.24 H new ATOM 0 HA THR A 41 -14.434 -11.060 -4.407 1.00 31.53 H new ATOM 0 HB THR A 41 -12.106 -11.383 -3.536 1.00 3.31 H new ATOM 0 HG1 THR A 41 -12.608 -14.082 -2.940 1.00 44.42 H new ATOM 0 HG21 THR A 41 -12.790 -12.219 -1.310 1.00 33.32 H new ATOM 0 HG22 THR A 41 -13.999 -11.103 -1.990 1.00 33.32 H new ATOM 0 HG23 THR A 41 -14.292 -12.858 -2.019 1.00 33.32 H new ATOM 649 N ASP A 42 -13.255 -12.942 -6.708 1.00 42.33 N ATOM 650 CA ASP A 42 -12.654 -12.995 -8.029 1.00 54.00 C ATOM 651 C ASP A 42 -13.435 -13.931 -8.933 1.00 21.45 C ATOM 652 O ASP A 42 -13.365 -15.146 -8.779 1.00 61.05 O ATOM 653 CB ASP A 42 -11.214 -13.480 -7.922 1.00 2.12 C ATOM 654 CG ASP A 42 -10.556 -13.687 -9.270 1.00 30.11 C ATOM 655 OD1 ASP A 42 -10.322 -14.858 -9.639 1.00 3.31 O ATOM 656 OD2 ASP A 42 -10.265 -12.684 -9.957 1.00 12.52 O ATOM 0 H ASP A 42 -13.748 -13.794 -6.441 1.00 42.33 H new ATOM 0 HA ASP A 42 -12.673 -11.993 -8.457 1.00 54.00 H new ATOM 0 HB2 ASP A 42 -10.635 -12.756 -7.349 1.00 2.12 H new ATOM 0 HB3 ASP A 42 -11.193 -14.417 -7.366 1.00 2.12 H new ATOM 661 N CYS A 43 -14.198 -13.379 -9.852 1.00 44.22 N ATOM 662 CA CYS A 43 -14.933 -14.201 -10.792 1.00 1.21 C ATOM 663 C CYS A 43 -14.496 -13.887 -12.214 1.00 23.01 C ATOM 664 O CYS A 43 -14.180 -12.736 -12.540 1.00 22.30 O ATOM 665 CB CYS A 43 -16.441 -13.996 -10.631 1.00 55.43 C ATOM 666 SG CYS A 43 -17.004 -12.320 -10.991 1.00 35.41 S ATOM 0 H CYS A 43 -14.326 -12.374 -9.969 1.00 44.22 H new ATOM 0 HA CYS A 43 -14.713 -15.248 -10.583 1.00 1.21 H new ATOM 0 HB2 CYS A 43 -16.963 -14.691 -11.289 1.00 55.43 H new ATOM 0 HB3 CYS A 43 -16.724 -14.250 -9.609 1.00 55.43 H new ATOM 0 HG CYS A 43 -16.866 -12.079 -12.261 1.00 35.41 H new ATOM 672 N VAL A 44 -14.451 -14.912 -13.049 1.00 11.41 N ATOM 673 CA VAL A 44 -14.028 -14.751 -14.427 1.00 63.42 C ATOM 674 C VAL A 44 -14.447 -15.960 -15.255 1.00 41.55 C ATOM 675 O VAL A 44 -14.493 -17.082 -14.752 1.00 24.41 O ATOM 676 CB VAL A 44 -12.495 -14.555 -14.515 1.00 5.14 C ATOM 677 CG1 VAL A 44 -11.754 -15.791 -14.024 1.00 54.25 C ATOM 678 CG2 VAL A 44 -12.072 -14.195 -15.930 1.00 51.23 C ATOM 0 H VAL A 44 -14.703 -15.867 -12.794 1.00 11.41 H new ATOM 0 HA VAL A 44 -14.513 -13.861 -14.828 1.00 63.42 H new ATOM 0 HB VAL A 44 -12.228 -13.724 -13.862 1.00 5.14 H new ATOM 0 HG11 VAL A 44 -10.679 -15.624 -14.098 1.00 54.25 H new ATOM 0 HG12 VAL A 44 -12.021 -15.986 -12.985 1.00 54.25 H new ATOM 0 HG13 VAL A 44 -12.031 -16.649 -14.637 1.00 54.25 H new ATOM 0 HG21 VAL A 44 -10.991 -14.063 -15.964 1.00 51.23 H new ATOM 0 HG22 VAL A 44 -12.361 -14.995 -16.611 1.00 51.23 H new ATOM 0 HG23 VAL A 44 -12.560 -13.268 -16.231 1.00 51.23 H new ATOM 688 N VAL A 45 -14.775 -15.734 -16.515 1.00 64.44 N ATOM 689 CA VAL A 45 -15.152 -16.820 -17.403 1.00 72.54 C ATOM 690 C VAL A 45 -14.277 -16.825 -18.639 1.00 5.21 C ATOM 691 O VAL A 45 -13.698 -15.802 -19.012 1.00 13.54 O ATOM 692 CB VAL A 45 -16.627 -16.734 -17.836 1.00 12.44 C ATOM 693 CG1 VAL A 45 -17.536 -16.816 -16.626 1.00 44.43 C ATOM 694 CG2 VAL A 45 -16.890 -15.461 -18.630 1.00 43.13 C ATOM 0 H VAL A 45 -14.788 -14.810 -16.946 1.00 64.44 H new ATOM 0 HA VAL A 45 -15.013 -17.744 -16.842 1.00 72.54 H new ATOM 0 HB VAL A 45 -16.844 -17.581 -18.487 1.00 12.44 H new ATOM 0 HG11 VAL A 45 -18.576 -16.754 -16.947 1.00 44.43 H new ATOM 0 HG12 VAL A 45 -17.371 -17.762 -16.111 1.00 44.43 H new ATOM 0 HG13 VAL A 45 -17.316 -15.991 -15.949 1.00 44.43 H new ATOM 0 HG21 VAL A 45 -17.939 -15.425 -18.923 1.00 43.13 H new ATOM 0 HG22 VAL A 45 -16.656 -14.593 -18.014 1.00 43.13 H new ATOM 0 HG23 VAL A 45 -16.263 -15.452 -19.522 1.00 43.13 H new ATOM 704 N MET A 46 -14.183 -17.976 -19.271 1.00 13.33 N ATOM 705 CA MET A 46 -13.411 -18.105 -20.484 1.00 50.54 C ATOM 706 C MET A 46 -14.353 -18.180 -21.659 1.00 34.54 C ATOM 707 O MET A 46 -15.329 -18.929 -21.631 1.00 2.32 O ATOM 708 CB MET A 46 -12.521 -19.340 -20.443 1.00 24.54 C ATOM 709 CG MET A 46 -11.720 -19.460 -19.163 1.00 34.53 C ATOM 710 SD MET A 46 -10.745 -17.992 -18.817 1.00 22.24 S ATOM 711 CE MET A 46 -10.216 -18.383 -17.159 1.00 63.22 C ATOM 0 H MET A 46 -14.634 -18.837 -18.962 1.00 13.33 H new ATOM 0 HA MET A 46 -12.762 -17.235 -20.583 1.00 50.54 H new ATOM 0 HB2 MET A 46 -13.140 -20.229 -20.561 1.00 24.54 H new ATOM 0 HB3 MET A 46 -11.836 -19.314 -21.291 1.00 24.54 H new ATOM 0 HG2 MET A 46 -12.399 -19.645 -18.330 1.00 34.53 H new ATOM 0 HG3 MET A 46 -11.058 -20.323 -19.233 1.00 34.53 H new ATOM 0 HE1 MET A 46 -9.495 -17.638 -16.822 1.00 63.22 H new ATOM 0 HE2 MET A 46 -11.078 -18.381 -16.492 1.00 63.22 H new ATOM 0 HE3 MET A 46 -9.751 -19.369 -17.148 1.00 63.22 H new ATOM 856 N ARG A 55 -16.129 -20.845 -23.312 1.00 23.13 N ATOM 857 CA ARG A 55 -15.255 -21.975 -23.575 1.00 30.35 C ATOM 858 C ARG A 55 -15.743 -23.206 -22.829 1.00 54.32 C ATOM 859 O ARG A 55 -15.126 -24.269 -22.884 1.00 32.53 O ATOM 860 CB ARG A 55 -13.822 -21.638 -23.165 1.00 72.42 C ATOM 861 CG ARG A 55 -13.123 -20.705 -24.141 1.00 1.11 C ATOM 862 CD ARG A 55 -11.668 -20.462 -23.773 1.00 32.30 C ATOM 863 NE ARG A 55 -10.803 -21.581 -24.141 1.00 2.44 N ATOM 864 CZ ARG A 55 -9.496 -21.636 -23.879 1.00 42.10 C ATOM 865 NH1 ARG A 55 -8.898 -20.647 -23.221 1.00 14.32 N ATOM 866 NH2 ARG A 55 -8.790 -22.682 -24.284 1.00 70.34 N ATOM 0 HA ARG A 55 -15.272 -22.189 -24.644 1.00 30.35 H new ATOM 0 HB2 ARG A 55 -13.832 -21.178 -22.177 1.00 72.42 H new ATOM 0 HB3 ARG A 55 -13.248 -22.561 -23.081 1.00 72.42 H new ATOM 0 HG2 ARG A 55 -13.175 -21.128 -25.144 1.00 1.11 H new ATOM 0 HG3 ARG A 55 -13.651 -19.752 -24.170 1.00 1.11 H new ATOM 0 HD2 ARG A 55 -11.317 -19.557 -24.270 1.00 32.30 H new ATOM 0 HD3 ARG A 55 -11.593 -20.286 -22.700 1.00 32.30 H new ATOM 0 HE ARG A 55 -11.226 -22.370 -24.629 1.00 2.44 H new ATOM 0 HH11 ARG A 55 -9.439 -19.839 -22.913 1.00 14.32 H new ATOM 0 HH12 ARG A 55 -7.898 -20.696 -23.024 1.00 14.32 H new ATOM 0 HH21 ARG A 55 -9.246 -23.439 -24.793 1.00 70.34 H new ATOM 0 HH22 ARG A 55 -7.790 -22.730 -24.087 1.00 70.34 H new ATOM 880 N GLY A 56 -16.856 -23.049 -22.129 1.00 14.21 N ATOM 881 CA GLY A 56 -17.443 -24.161 -21.415 1.00 34.22 C ATOM 882 C GLY A 56 -16.919 -24.291 -20.001 1.00 21.25 C ATOM 883 O GLY A 56 -17.180 -25.290 -19.332 1.00 45.14 O ATOM 0 H GLY A 56 -17.364 -22.169 -22.043 1.00 14.21 H new ATOM 0 HA2 GLY A 56 -18.526 -24.038 -21.387 1.00 34.22 H new ATOM 0 HA3 GLY A 56 -17.241 -25.084 -21.959 1.00 34.22 H new ATOM 887 N PHE A 57 -16.187 -23.283 -19.537 1.00 21.00 N ATOM 888 CA PHE A 57 -15.691 -23.283 -18.163 1.00 65.20 C ATOM 889 C PHE A 57 -15.343 -21.876 -17.688 1.00 61.41 C ATOM 890 O PHE A 57 -15.145 -20.957 -18.490 1.00 71.03 O ATOM 891 CB PHE A 57 -14.485 -24.224 -17.994 1.00 11.53 C ATOM 892 CG PHE A 57 -13.385 -24.031 -18.998 1.00 52.41 C ATOM 893 CD1 PHE A 57 -12.490 -22.980 -18.891 1.00 5.24 C ATOM 894 CD2 PHE A 57 -13.246 -24.918 -20.044 1.00 20.20 C ATOM 895 CE1 PHE A 57 -11.482 -22.813 -19.822 1.00 63.12 C ATOM 896 CE2 PHE A 57 -12.240 -24.761 -20.979 1.00 54.22 C ATOM 897 CZ PHE A 57 -11.357 -23.705 -20.869 1.00 61.15 C ATOM 0 H PHE A 57 -15.926 -22.463 -20.085 1.00 21.00 H new ATOM 0 HA PHE A 57 -16.501 -23.658 -17.537 1.00 65.20 H new ATOM 0 HB2 PHE A 57 -14.073 -24.086 -16.994 1.00 11.53 H new ATOM 0 HB3 PHE A 57 -14.836 -25.254 -18.055 1.00 11.53 H new ATOM 0 HD1 PHE A 57 -12.580 -22.283 -18.071 1.00 5.24 H new ATOM 0 HD2 PHE A 57 -13.932 -25.747 -20.134 1.00 20.20 H new ATOM 0 HE1 PHE A 57 -10.793 -21.986 -19.731 1.00 63.12 H new ATOM 0 HE2 PHE A 57 -12.145 -25.463 -21.794 1.00 54.22 H new ATOM 0 HZ PHE A 57 -10.571 -23.577 -21.599 1.00 61.15 H new ATOM 907 N GLY A 58 -15.287 -21.722 -16.371 1.00 61.24 N ATOM 908 CA GLY A 58 -14.972 -20.447 -15.763 1.00 2.20 C ATOM 909 C GLY A 58 -14.437 -20.626 -14.356 1.00 23.13 C ATOM 910 O GLY A 58 -14.297 -21.757 -13.887 1.00 72.45 O ATOM 0 H GLY A 58 -15.458 -22.474 -15.704 1.00 61.24 H new ATOM 0 HA2 GLY A 58 -14.234 -19.924 -16.371 1.00 2.20 H new ATOM 0 HA3 GLY A 58 -15.865 -19.823 -15.738 1.00 2.20 H new ATOM 914 N PHE A 59 -14.140 -19.526 -13.678 1.00 12.35 N ATOM 915 CA PHE A 59 -13.570 -19.587 -12.340 1.00 32.03 C ATOM 916 C PHE A 59 -14.238 -18.588 -11.411 1.00 30.25 C ATOM 917 O PHE A 59 -14.664 -17.512 -11.831 1.00 1.22 O ATOM 918 CB PHE A 59 -12.067 -19.323 -12.380 1.00 62.12 C ATOM 919 CG PHE A 59 -11.287 -20.379 -13.106 1.00 10.43 C ATOM 920 CD1 PHE A 59 -10.798 -21.481 -12.428 1.00 74.41 C ATOM 921 CD2 PHE A 59 -11.042 -20.271 -14.463 1.00 40.54 C ATOM 922 CE1 PHE A 59 -10.079 -22.453 -13.089 1.00 5.11 C ATOM 923 CE2 PHE A 59 -10.323 -21.242 -15.131 1.00 12.22 C ATOM 924 CZ PHE A 59 -9.841 -22.333 -14.443 1.00 11.14 C ATOM 0 H PHE A 59 -14.284 -18.581 -14.033 1.00 12.35 H new ATOM 0 HA PHE A 59 -13.746 -20.592 -11.956 1.00 32.03 H new ATOM 0 HB2 PHE A 59 -11.889 -18.360 -12.858 1.00 62.12 H new ATOM 0 HB3 PHE A 59 -11.694 -19.246 -11.359 1.00 62.12 H new ATOM 0 HD1 PHE A 59 -10.982 -21.581 -11.368 1.00 74.41 H new ATOM 0 HD2 PHE A 59 -11.418 -19.417 -15.007 1.00 40.54 H new ATOM 0 HE1 PHE A 59 -9.702 -23.308 -12.548 1.00 5.11 H new ATOM 0 HE2 PHE A 59 -10.139 -21.146 -16.191 1.00 12.22 H new ATOM 0 HZ PHE A 59 -9.277 -23.094 -14.962 1.00 11.14 H new ATOM 934 N VAL A 60 -14.305 -18.956 -10.143 1.00 43.30 N ATOM 935 CA VAL A 60 -14.954 -18.144 -9.121 1.00 42.21 C ATOM 936 C VAL A 60 -14.273 -18.330 -7.775 1.00 44.35 C ATOM 937 O VAL A 60 -14.352 -19.391 -7.163 1.00 71.51 O ATOM 938 CB VAL A 60 -16.458 -18.458 -9.008 1.00 53.45 C ATOM 939 CG1 VAL A 60 -17.241 -17.569 -9.945 1.00 73.24 C ATOM 940 CG2 VAL A 60 -16.744 -19.920 -9.294 1.00 32.14 C ATOM 0 H VAL A 60 -13.911 -19.828 -9.790 1.00 43.30 H new ATOM 0 HA VAL A 60 -14.856 -17.102 -9.425 1.00 42.21 H new ATOM 0 HB VAL A 60 -16.771 -18.259 -7.983 1.00 53.45 H new ATOM 0 HG11 VAL A 60 -18.304 -17.797 -9.860 1.00 73.24 H new ATOM 0 HG12 VAL A 60 -17.071 -16.525 -9.682 1.00 73.24 H new ATOM 0 HG13 VAL A 60 -16.914 -17.743 -10.970 1.00 73.24 H new ATOM 0 HG21 VAL A 60 -17.814 -20.105 -9.205 1.00 32.14 H new ATOM 0 HG22 VAL A 60 -16.416 -20.164 -10.304 1.00 32.14 H new ATOM 0 HG23 VAL A 60 -16.207 -20.543 -8.578 1.00 32.14 H new ATOM 950 N THR A 61 -13.585 -17.295 -7.334 1.00 2.11 N ATOM 951 CA THR A 61 -12.839 -17.337 -6.094 1.00 71.01 C ATOM 952 C THR A 61 -13.680 -16.752 -4.973 1.00 71.31 C ATOM 953 O THR A 61 -14.015 -15.571 -5.001 1.00 50.04 O ATOM 954 CB THR A 61 -11.531 -16.533 -6.217 1.00 70.20 C ATOM 955 OG1 THR A 61 -10.922 -16.772 -7.497 1.00 4.12 O ATOM 956 CG2 THR A 61 -10.554 -16.909 -5.114 1.00 54.11 C ATOM 0 H THR A 61 -13.528 -16.403 -7.825 1.00 2.11 H new ATOM 0 HA THR A 61 -12.595 -18.376 -5.874 1.00 71.01 H new ATOM 0 HB THR A 61 -11.776 -15.475 -6.121 1.00 70.20 H new ATOM 0 HG1 THR A 61 -11.426 -16.299 -8.192 1.00 4.12 H new ATOM 0 HG21 THR A 61 -9.639 -16.327 -5.224 1.00 54.11 H new ATOM 0 HG22 THR A 61 -11.003 -16.699 -4.143 1.00 54.11 H new ATOM 0 HG23 THR A 61 -10.319 -17.971 -5.183 1.00 54.11 H new ATOM 964 N TYR A 62 -14.032 -17.574 -4.003 1.00 70.44 N ATOM 965 CA TYR A 62 -14.857 -17.128 -2.891 1.00 50.34 C ATOM 966 C TYR A 62 -14.033 -16.338 -1.881 1.00 51.33 C ATOM 967 O TYR A 62 -12.816 -16.197 -2.030 1.00 44.54 O ATOM 968 CB TYR A 62 -15.526 -18.324 -2.214 1.00 34.32 C ATOM 969 CG TYR A 62 -16.694 -18.895 -2.990 1.00 51.23 C ATOM 970 CD1 TYR A 62 -17.996 -18.541 -2.663 1.00 71.30 C ATOM 971 CD2 TYR A 62 -16.504 -19.790 -4.039 1.00 23.42 C ATOM 972 CE1 TYR A 62 -19.073 -19.061 -3.351 1.00 45.41 C ATOM 973 CE2 TYR A 62 -17.578 -20.312 -4.733 1.00 50.50 C ATOM 974 CZ TYR A 62 -18.859 -19.945 -4.384 1.00 22.11 C ATOM 975 OH TYR A 62 -19.932 -20.457 -5.072 1.00 63.30 O ATOM 0 H TYR A 62 -13.760 -18.556 -3.960 1.00 70.44 H new ATOM 0 HA TYR A 62 -15.631 -16.469 -3.285 1.00 50.34 H new ATOM 0 HB2 TYR A 62 -14.783 -19.108 -2.066 1.00 34.32 H new ATOM 0 HB3 TYR A 62 -15.872 -18.022 -1.225 1.00 34.32 H new ATOM 0 HD1 TYR A 62 -18.169 -17.846 -1.855 1.00 71.30 H new ATOM 0 HD2 TYR A 62 -15.501 -20.081 -4.315 1.00 23.42 H new ATOM 0 HE1 TYR A 62 -20.079 -18.776 -3.080 1.00 45.41 H new ATOM 0 HE2 TYR A 62 -17.414 -21.005 -5.545 1.00 50.50 H new ATOM 0 HH TYR A 62 -20.617 -19.763 -5.174 1.00 63.30 H new ATOM 985 N ALA A 63 -14.701 -15.813 -0.860 1.00 70.53 N ATOM 986 CA ALA A 63 -14.032 -15.039 0.172 1.00 35.13 C ATOM 987 C ALA A 63 -13.293 -15.978 1.105 1.00 72.14 C ATOM 988 O ALA A 63 -12.189 -15.686 1.569 1.00 64.25 O ATOM 989 CB ALA A 63 -15.035 -14.190 0.942 1.00 72.03 C ATOM 0 H ALA A 63 -15.708 -15.911 -0.727 1.00 70.53 H new ATOM 0 HA ALA A 63 -13.315 -14.364 -0.295 1.00 35.13 H new ATOM 0 HB1 ALA A 63 -14.514 -13.618 1.710 1.00 72.03 H new ATOM 0 HB2 ALA A 63 -15.535 -13.506 0.256 1.00 72.03 H new ATOM 0 HB3 ALA A 63 -15.775 -14.838 1.412 1.00 72.03 H new ATOM 995 N THR A 64 -13.907 -17.121 1.355 1.00 4.45 N ATOM 996 CA THR A 64 -13.300 -18.161 2.152 1.00 65.03 C ATOM 997 C THR A 64 -13.680 -19.526 1.588 1.00 74.31 C ATOM 998 O THR A 64 -14.659 -19.650 0.849 1.00 5.12 O ATOM 999 CB THR A 64 -13.716 -18.051 3.636 1.00 71.21 C ATOM 1000 OG1 THR A 64 -13.225 -19.175 4.375 1.00 2.32 O ATOM 1001 CG2 THR A 64 -15.227 -17.958 3.780 1.00 62.25 C ATOM 0 H THR A 64 -14.839 -17.350 1.010 1.00 4.45 H new ATOM 0 HA THR A 64 -12.217 -18.041 2.107 1.00 65.03 H new ATOM 0 HB THR A 64 -13.278 -17.138 4.038 1.00 71.21 H new ATOM 0 HG1 THR A 64 -13.494 -19.092 5.314 1.00 2.32 H new ATOM 0 HG21 THR A 64 -15.488 -17.882 4.836 1.00 62.25 H new ATOM 0 HG22 THR A 64 -15.589 -17.076 3.252 1.00 62.25 H new ATOM 0 HG23 THR A 64 -15.688 -18.850 3.356 1.00 62.25 H new ATOM 1009 N VAL A 65 -12.905 -20.546 1.934 1.00 34.41 N ATOM 1010 CA VAL A 65 -13.118 -21.888 1.403 1.00 40.32 C ATOM 1011 C VAL A 65 -14.395 -22.504 1.958 1.00 75.40 C ATOM 1012 O VAL A 65 -14.931 -23.458 1.395 1.00 32.14 O ATOM 1013 CB VAL A 65 -11.926 -22.813 1.706 1.00 74.42 C ATOM 1014 CG1 VAL A 65 -10.708 -22.370 0.919 1.00 61.51 C ATOM 1015 CG2 VAL A 65 -11.617 -22.832 3.196 1.00 11.31 C ATOM 0 H VAL A 65 -12.121 -20.470 2.582 1.00 34.41 H new ATOM 0 HA VAL A 65 -13.214 -21.788 0.322 1.00 40.32 H new ATOM 0 HB VAL A 65 -12.192 -23.826 1.403 1.00 74.42 H new ATOM 0 HG11 VAL A 65 -9.871 -23.032 1.141 1.00 61.51 H new ATOM 0 HG12 VAL A 65 -10.929 -22.411 -0.148 1.00 61.51 H new ATOM 0 HG13 VAL A 65 -10.447 -21.349 1.197 1.00 61.51 H new ATOM 0 HG21 VAL A 65 -10.771 -23.493 3.384 1.00 11.31 H new ATOM 0 HG22 VAL A 65 -11.371 -21.824 3.529 1.00 11.31 H new ATOM 0 HG23 VAL A 65 -12.488 -23.193 3.744 1.00 11.31 H new ATOM 1025 N GLU A 66 -14.885 -21.938 3.052 1.00 41.21 N ATOM 1026 CA GLU A 66 -16.124 -22.392 3.665 1.00 62.44 C ATOM 1027 C GLU A 66 -17.293 -22.168 2.714 1.00 62.40 C ATOM 1028 O GLU A 66 -18.251 -22.942 2.688 1.00 41.40 O ATOM 1029 CB GLU A 66 -16.356 -21.650 4.982 1.00 42.53 C ATOM 1030 CG GLU A 66 -15.142 -21.651 5.899 1.00 73.45 C ATOM 1031 CD GLU A 66 -14.702 -23.045 6.303 1.00 72.21 C ATOM 1032 OE1 GLU A 66 -15.057 -23.481 7.416 1.00 14.04 O ATOM 1033 OE2 GLU A 66 -13.990 -23.708 5.517 1.00 73.24 O ATOM 0 H GLU A 66 -14.439 -21.158 3.536 1.00 41.21 H new ATOM 0 HA GLU A 66 -16.048 -23.459 3.873 1.00 62.44 H new ATOM 0 HB2 GLU A 66 -16.637 -20.619 4.765 1.00 42.53 H new ATOM 0 HB3 GLU A 66 -17.197 -22.107 5.504 1.00 42.53 H new ATOM 0 HG2 GLU A 66 -14.316 -21.147 5.398 1.00 73.45 H new ATOM 0 HG3 GLU A 66 -15.371 -21.075 6.795 1.00 73.45 H new ATOM 1040 N GLU A 67 -17.189 -21.114 1.913 1.00 10.31 N ATOM 1041 CA GLU A 67 -18.200 -20.813 0.915 1.00 70.13 C ATOM 1042 C GLU A 67 -18.034 -21.741 -0.279 1.00 53.10 C ATOM 1043 O GLU A 67 -19.012 -22.202 -0.869 1.00 64.20 O ATOM 1044 CB GLU A 67 -18.084 -19.364 0.462 1.00 50.12 C ATOM 1045 CG GLU A 67 -17.868 -18.385 1.595 1.00 31.40 C ATOM 1046 CD GLU A 67 -17.931 -16.950 1.126 1.00 21.52 C ATOM 1047 OE1 GLU A 67 -17.062 -16.549 0.330 1.00 1.21 O ATOM 1048 OE2 GLU A 67 -18.852 -16.221 1.543 1.00 53.24 O ATOM 0 H GLU A 67 -16.412 -20.454 1.938 1.00 10.31 H new ATOM 0 HA GLU A 67 -19.185 -20.963 1.357 1.00 70.13 H new ATOM 0 HB2 GLU A 67 -17.256 -19.279 -0.242 1.00 50.12 H new ATOM 0 HB3 GLU A 67 -18.991 -19.088 -0.076 1.00 50.12 H new ATOM 0 HG2 GLU A 67 -18.623 -18.548 2.364 1.00 31.40 H new ATOM 0 HG3 GLU A 67 -16.898 -18.573 2.056 1.00 31.40 H new ATOM 1055 N VAL A 68 -16.776 -22.014 -0.619 1.00 11.14 N ATOM 1056 CA VAL A 68 -16.446 -22.968 -1.670 1.00 24.53 C ATOM 1057 C VAL A 68 -17.100 -24.315 -1.389 1.00 31.13 C ATOM 1058 O VAL A 68 -17.757 -24.892 -2.256 1.00 13.12 O ATOM 1059 CB VAL A 68 -14.913 -23.151 -1.806 1.00 42.23 C ATOM 1060 CG1 VAL A 68 -14.580 -24.417 -2.574 1.00 0.35 C ATOM 1061 CG2 VAL A 68 -14.298 -21.950 -2.495 1.00 60.44 C ATOM 0 H VAL A 68 -15.964 -21.583 -0.177 1.00 11.14 H new ATOM 0 HA VAL A 68 -16.829 -22.569 -2.609 1.00 24.53 H new ATOM 0 HB VAL A 68 -14.495 -23.239 -0.803 1.00 42.23 H new ATOM 0 HG11 VAL A 68 -13.498 -24.520 -2.654 1.00 0.35 H new ATOM 0 HG12 VAL A 68 -14.989 -25.280 -2.048 1.00 0.35 H new ATOM 0 HG13 VAL A 68 -15.014 -24.362 -3.572 1.00 0.35 H new ATOM 0 HG21 VAL A 68 -13.221 -22.093 -2.583 1.00 60.44 H new ATOM 0 HG22 VAL A 68 -14.732 -21.839 -3.489 1.00 60.44 H new ATOM 0 HG23 VAL A 68 -14.498 -21.053 -1.909 1.00 60.44 H new ATOM 1071 N ASP A 69 -16.933 -24.794 -0.163 1.00 2.20 N ATOM 1072 CA ASP A 69 -17.516 -26.061 0.251 1.00 14.12 C ATOM 1073 C ASP A 69 -19.029 -26.034 0.111 1.00 1.34 C ATOM 1074 O ASP A 69 -19.618 -26.999 -0.360 1.00 65.22 O ATOM 1075 CB ASP A 69 -17.124 -26.398 1.689 1.00 23.44 C ATOM 1076 CG ASP A 69 -15.672 -26.819 1.816 1.00 2.32 C ATOM 1077 OD1 ASP A 69 -15.077 -26.588 2.888 1.00 71.02 O ATOM 1078 OD2 ASP A 69 -15.120 -27.383 0.844 1.00 40.33 O ATOM 0 H ASP A 69 -16.396 -24.321 0.564 1.00 2.20 H new ATOM 0 HA ASP A 69 -17.123 -26.838 -0.405 1.00 14.12 H new ATOM 0 HB2 ASP A 69 -17.303 -25.530 2.323 1.00 23.44 H new ATOM 0 HB3 ASP A 69 -17.764 -27.200 2.058 1.00 23.44 H new ATOM 1083 N ALA A 70 -19.650 -24.917 0.475 1.00 72.02 N ATOM 1084 CA ALA A 70 -21.101 -24.791 0.396 1.00 71.23 C ATOM 1085 C ALA A 70 -21.577 -24.942 -1.043 1.00 45.54 C ATOM 1086 O ALA A 70 -22.580 -25.603 -1.308 1.00 73.32 O ATOM 1087 CB ALA A 70 -21.551 -23.456 0.969 1.00 34.00 C ATOM 0 H ALA A 70 -19.172 -24.087 0.827 1.00 72.02 H new ATOM 0 HA ALA A 70 -21.547 -25.590 0.989 1.00 71.23 H new ATOM 0 HB1 ALA A 70 -22.636 -23.379 0.902 1.00 34.00 H new ATOM 0 HB2 ALA A 70 -21.246 -23.387 2.013 1.00 34.00 H new ATOM 0 HB3 ALA A 70 -21.094 -22.644 0.403 1.00 34.00 H new ATOM 1093 N ALA A 71 -20.839 -24.341 -1.972 1.00 5.33 N ATOM 1094 CA ALA A 71 -21.154 -24.456 -3.391 1.00 11.21 C ATOM 1095 C ALA A 71 -20.927 -25.882 -3.876 1.00 13.34 C ATOM 1096 O ALA A 71 -21.686 -26.405 -4.693 1.00 63.14 O ATOM 1097 CB ALA A 71 -20.312 -23.485 -4.203 1.00 63.21 C ATOM 0 H ALA A 71 -20.019 -23.770 -1.767 1.00 5.33 H new ATOM 0 HA ALA A 71 -22.206 -24.206 -3.529 1.00 11.21 H new ATOM 0 HB1 ALA A 71 -20.560 -23.584 -5.260 1.00 63.21 H new ATOM 0 HB2 ALA A 71 -20.516 -22.465 -3.877 1.00 63.21 H new ATOM 0 HB3 ALA A 71 -19.255 -23.708 -4.056 1.00 63.21 H new ATOM 1103 N MET A 72 -19.876 -26.507 -3.359 1.00 53.23 N ATOM 1104 CA MET A 72 -19.558 -27.891 -3.692 1.00 31.42 C ATOM 1105 C MET A 72 -20.632 -28.833 -3.165 1.00 62.24 C ATOM 1106 O MET A 72 -20.994 -29.807 -3.817 1.00 12.52 O ATOM 1107 CB MET A 72 -18.204 -28.294 -3.107 1.00 30.21 C ATOM 1108 CG MET A 72 -17.022 -27.548 -3.698 1.00 72.52 C ATOM 1109 SD MET A 72 -15.454 -28.140 -3.040 1.00 64.32 S ATOM 1110 CE MET A 72 -14.334 -27.588 -4.315 1.00 12.41 C ATOM 0 H MET A 72 -19.225 -26.074 -2.703 1.00 53.23 H new ATOM 0 HA MET A 72 -19.515 -27.967 -4.779 1.00 31.42 H new ATOM 0 HB2 MET A 72 -18.222 -28.127 -2.030 1.00 30.21 H new ATOM 0 HB3 MET A 72 -18.058 -29.363 -3.262 1.00 30.21 H new ATOM 0 HG2 MET A 72 -17.027 -27.662 -4.782 1.00 72.52 H new ATOM 0 HG3 MET A 72 -17.124 -26.483 -3.489 1.00 72.52 H new ATOM 0 HE1 MET A 72 -13.468 -28.249 -4.350 1.00 12.41 H new ATOM 0 HE2 MET A 72 -14.843 -27.605 -5.279 1.00 12.41 H new ATOM 0 HE3 MET A 72 -14.006 -26.572 -4.096 1.00 12.41 H new ATOM 1120 N ASN A 73 -21.145 -28.525 -1.982 1.00 31.50 N ATOM 1121 CA ASN A 73 -22.163 -29.350 -1.337 1.00 14.23 C ATOM 1122 C ASN A 73 -23.536 -29.073 -1.939 1.00 3.15 C ATOM 1123 O ASN A 73 -24.526 -29.724 -1.596 1.00 31.02 O ATOM 1124 CB ASN A 73 -22.184 -29.088 0.173 1.00 72.15 C ATOM 1125 CG ASN A 73 -20.843 -29.373 0.829 1.00 4.40 C ATOM 1126 OD1 ASN A 73 -20.107 -30.266 0.407 1.00 25.30 O ATOM 1127 ND2 ASN A 73 -20.506 -28.600 1.851 1.00 15.21 N ATOM 0 H ASN A 73 -20.871 -27.703 -1.444 1.00 31.50 H new ATOM 0 HA ASN A 73 -21.915 -30.398 -1.507 1.00 14.23 H new ATOM 0 HB2 ASN A 73 -22.461 -28.050 0.355 1.00 72.15 H new ATOM 0 HB3 ASN A 73 -22.951 -29.709 0.636 1.00 72.15 H new ATOM 0 HD21 ASN A 73 -19.609 -28.734 2.318 1.00 15.21 H new ATOM 0 HD22 ASN A 73 -21.143 -27.871 2.171 1.00 15.21 H new ATOM 1134 N ALA A 74 -23.584 -28.107 -2.847 1.00 45.43 N ATOM 1135 CA ALA A 74 -24.814 -27.757 -3.537 1.00 62.23 C ATOM 1136 C ALA A 74 -24.885 -28.450 -4.896 1.00 31.33 C ATOM 1137 O ALA A 74 -25.730 -28.122 -5.732 1.00 70.21 O ATOM 1138 CB ALA A 74 -24.913 -26.248 -3.700 1.00 11.34 C ATOM 0 H ALA A 74 -22.776 -27.549 -3.123 1.00 45.43 H new ATOM 0 HA ALA A 74 -25.658 -28.099 -2.937 1.00 62.23 H new ATOM 0 HB1 ALA A 74 -25.839 -25.998 -4.218 1.00 11.34 H new ATOM 0 HB2 ALA A 74 -24.908 -25.775 -2.718 1.00 11.34 H new ATOM 0 HB3 ALA A 74 -24.064 -25.888 -4.281 1.00 11.34 H new ATOM 1144 N ARG A 75 -23.992 -29.409 -5.110 1.00 42.34 N ATOM 1145 CA ARG A 75 -23.966 -30.166 -6.354 1.00 33.03 C ATOM 1146 C ARG A 75 -25.098 -31.194 -6.375 1.00 61.54 C ATOM 1147 O ARG A 75 -25.545 -31.647 -5.322 1.00 61.44 O ATOM 1148 CB ARG A 75 -22.610 -30.856 -6.537 1.00 4.11 C ATOM 1149 CG ARG A 75 -22.330 -31.948 -5.516 1.00 23.41 C ATOM 1150 CD ARG A 75 -20.915 -32.483 -5.657 1.00 0.51 C ATOM 1151 NE ARG A 75 -20.624 -33.530 -4.681 1.00 61.24 N ATOM 1152 CZ ARG A 75 -19.632 -33.465 -3.793 1.00 65.32 C ATOM 1153 NH1 ARG A 75 -18.855 -32.388 -3.730 1.00 64.03 N ATOM 1154 NH2 ARG A 75 -19.424 -34.479 -2.965 1.00 22.02 N ATOM 0 H ARG A 75 -23.276 -29.681 -4.437 1.00 42.34 H new ATOM 0 HA ARG A 75 -24.112 -29.473 -7.183 1.00 33.03 H new ATOM 0 HB2 ARG A 75 -22.565 -31.287 -7.537 1.00 4.11 H new ATOM 0 HB3 ARG A 75 -21.821 -30.106 -6.478 1.00 4.11 H new ATOM 0 HG2 ARG A 75 -22.474 -31.554 -4.510 1.00 23.41 H new ATOM 0 HG3 ARG A 75 -23.044 -32.762 -5.645 1.00 23.41 H new ATOM 0 HD2 ARG A 75 -20.776 -32.877 -6.664 1.00 0.51 H new ATOM 0 HD3 ARG A 75 -20.205 -31.665 -5.534 1.00 0.51 H new ATOM 0 HE ARG A 75 -21.216 -34.361 -4.679 1.00 61.24 H new ATOM 0 HH11 ARG A 75 -19.016 -31.605 -4.364 1.00 64.03 H new ATOM 0 HH12 ARG A 75 -18.098 -32.345 -3.048 1.00 64.03 H new ATOM 0 HH21 ARG A 75 -20.022 -35.304 -3.009 1.00 22.02 H new ATOM 0 HH22 ARG A 75 -18.666 -34.434 -2.284 1.00 22.02 H new ATOM 1168 N PRO A 76 -25.595 -31.565 -7.567 1.00 23.24 N ATOM 1169 CA PRO A 76 -25.126 -31.022 -8.846 1.00 1.51 C ATOM 1170 C PRO A 76 -25.453 -29.543 -8.987 1.00 11.21 C ATOM 1171 O PRO A 76 -26.602 -29.131 -8.811 1.00 64.14 O ATOM 1172 CB PRO A 76 -25.885 -31.839 -9.900 1.00 44.54 C ATOM 1173 CG PRO A 76 -26.448 -33.009 -9.168 1.00 24.12 C ATOM 1174 CD PRO A 76 -26.664 -32.550 -7.758 1.00 52.22 C ATOM 0 HA PRO A 76 -24.043 -31.095 -8.943 1.00 1.51 H new ATOM 0 HB2 PRO A 76 -26.676 -31.247 -10.361 1.00 44.54 H new ATOM 0 HB3 PRO A 76 -25.220 -32.161 -10.701 1.00 44.54 H new ATOM 0 HG2 PRO A 76 -27.384 -33.337 -9.619 1.00 24.12 H new ATOM 0 HG3 PRO A 76 -25.763 -33.856 -9.202 1.00 24.12 H new ATOM 0 HD2 PRO A 76 -27.651 -32.107 -7.624 1.00 52.22 H new ATOM 0 HD3 PRO A 76 -26.586 -33.374 -7.048 1.00 52.22 H new ATOM 1182 N HIS A 77 -24.437 -28.750 -9.287 1.00 44.43 N ATOM 1183 CA HIS A 77 -24.604 -27.311 -9.390 1.00 31.53 C ATOM 1184 C HIS A 77 -25.344 -26.965 -10.675 1.00 65.22 C ATOM 1185 O HIS A 77 -25.276 -27.705 -11.658 1.00 3.24 O ATOM 1186 CB HIS A 77 -23.247 -26.607 -9.351 1.00 75.11 C ATOM 1187 CG HIS A 77 -23.323 -25.203 -8.839 1.00 1.14 C ATOM 1188 ND1 HIS A 77 -23.820 -24.183 -9.608 1.00 42.52 N ATOM 1189 CD2 HIS A 77 -22.968 -24.711 -7.628 1.00 30.11 C ATOM 1190 CE1 HIS A 77 -23.761 -23.099 -8.858 1.00 42.10 C ATOM 1191 NE2 HIS A 77 -23.249 -23.369 -7.649 1.00 42.33 N ATOM 0 H HIS A 77 -23.488 -29.080 -9.463 1.00 44.43 H new ATOM 0 HA HIS A 77 -25.192 -26.966 -8.539 1.00 31.53 H new ATOM 0 HB2 HIS A 77 -22.566 -27.180 -8.721 1.00 75.11 H new ATOM 0 HB3 HIS A 77 -22.821 -26.598 -10.354 1.00 75.11 H new ATOM 0 HD2 HIS A 77 -22.545 -25.268 -6.805 1.00 30.11 H new ATOM 0 HE1 HIS A 77 -24.084 -22.119 -9.177 1.00 42.10 H new ATOM 0 HE2 HIS A 77 -23.098 -22.704 -6.890 1.00 42.33 H new ATOM 1199 N LYS A 78 -26.034 -25.840 -10.667 1.00 44.15 N ATOM 1200 CA LYS A 78 -26.869 -25.448 -11.784 1.00 72.41 C ATOM 1201 C LYS A 78 -26.685 -23.967 -12.086 1.00 14.21 C ATOM 1202 O LYS A 78 -27.046 -23.109 -11.279 1.00 72.42 O ATOM 1203 CB LYS A 78 -28.339 -25.735 -11.465 1.00 62.32 C ATOM 1204 CG LYS A 78 -29.303 -25.406 -12.597 1.00 64.13 C ATOM 1205 CD LYS A 78 -29.094 -26.309 -13.803 1.00 31.44 C ATOM 1206 CE LYS A 78 -29.329 -27.773 -13.465 1.00 61.03 C ATOM 1207 NZ LYS A 78 -30.705 -28.026 -12.959 1.00 51.03 N ATOM 0 H LYS A 78 -26.031 -25.177 -9.892 1.00 44.15 H new ATOM 0 HA LYS A 78 -26.574 -26.025 -12.660 1.00 72.41 H new ATOM 0 HB2 LYS A 78 -28.444 -26.789 -11.209 1.00 62.32 H new ATOM 0 HB3 LYS A 78 -28.625 -25.163 -10.582 1.00 62.32 H new ATOM 0 HG2 LYS A 78 -30.328 -25.508 -12.241 1.00 64.13 H new ATOM 0 HG3 LYS A 78 -29.171 -24.366 -12.895 1.00 64.13 H new ATOM 0 HD2 LYS A 78 -29.771 -26.008 -14.603 1.00 31.44 H new ATOM 0 HD3 LYS A 78 -28.079 -26.182 -14.180 1.00 31.44 H new ATOM 0 HE2 LYS A 78 -29.154 -28.380 -14.353 1.00 61.03 H new ATOM 0 HE3 LYS A 78 -28.605 -28.090 -12.714 1.00 61.03 H new ATOM 0 HZ1 LYS A 78 -30.872 -29.051 -12.904 1.00 51.03 H new ATOM 0 HZ2 LYS A 78 -30.810 -27.607 -12.013 1.00 51.03 H new ATOM 0 HZ3 LYS A 78 -31.397 -27.597 -13.606 1.00 51.03 H new ATOM 1221 N VAL A 79 -26.107 -23.680 -13.238 1.00 25.20 N ATOM 1222 CA VAL A 79 -25.936 -22.310 -13.692 1.00 51.45 C ATOM 1223 C VAL A 79 -26.289 -22.206 -15.174 1.00 3.24 C ATOM 1224 O VAL A 79 -25.766 -22.957 -16.001 1.00 11.01 O ATOM 1225 CB VAL A 79 -24.497 -21.789 -13.419 1.00 31.40 C ATOM 1226 CG1 VAL A 79 -23.463 -22.867 -13.682 1.00 73.34 C ATOM 1227 CG2 VAL A 79 -24.191 -20.546 -14.246 1.00 3.25 C ATOM 0 H VAL A 79 -25.745 -24.383 -13.882 1.00 25.20 H new ATOM 0 HA VAL A 79 -26.615 -21.675 -13.124 1.00 51.45 H new ATOM 0 HB VAL A 79 -24.446 -21.517 -12.365 1.00 31.40 H new ATOM 0 HG11 VAL A 79 -22.467 -22.472 -13.482 1.00 73.34 H new ATOM 0 HG12 VAL A 79 -23.653 -23.720 -13.030 1.00 73.34 H new ATOM 0 HG13 VAL A 79 -23.525 -23.185 -14.723 1.00 73.34 H new ATOM 0 HG21 VAL A 79 -23.177 -20.207 -14.032 1.00 3.25 H new ATOM 0 HG22 VAL A 79 -24.278 -20.784 -15.306 1.00 3.25 H new ATOM 0 HG23 VAL A 79 -24.899 -19.757 -13.992 1.00 3.25 H new ATOM 1237 N ASP A 80 -27.229 -21.310 -15.479 1.00 62.53 N ATOM 1238 CA ASP A 80 -27.723 -21.102 -16.842 1.00 31.14 C ATOM 1239 C ASP A 80 -28.400 -22.359 -17.375 1.00 32.13 C ATOM 1240 O ASP A 80 -28.414 -22.615 -18.581 1.00 43.43 O ATOM 1241 CB ASP A 80 -26.599 -20.655 -17.783 1.00 71.02 C ATOM 1242 CG ASP A 80 -26.125 -19.247 -17.493 1.00 15.21 C ATOM 1243 OD1 ASP A 80 -24.923 -19.067 -17.228 1.00 60.04 O ATOM 1244 OD2 ASP A 80 -26.959 -18.314 -17.530 1.00 53.11 O ATOM 0 H ASP A 80 -27.671 -20.706 -14.786 1.00 62.53 H new ATOM 0 HA ASP A 80 -28.464 -20.304 -16.803 1.00 31.14 H new ATOM 0 HB2 ASP A 80 -25.759 -21.343 -17.693 1.00 71.02 H new ATOM 0 HB3 ASP A 80 -26.948 -20.712 -18.814 1.00 71.02 H new ATOM 1249 N GLY A 81 -28.995 -23.122 -16.464 1.00 23.01 N ATOM 1250 CA GLY A 81 -29.659 -24.357 -16.832 1.00 41.23 C ATOM 1251 C GLY A 81 -28.681 -25.439 -17.241 1.00 54.22 C ATOM 1252 O GLY A 81 -29.032 -26.358 -17.980 1.00 23.34 O ATOM 0 H GLY A 81 -29.028 -22.903 -15.468 1.00 23.01 H new ATOM 0 HA2 GLY A 81 -30.256 -24.710 -15.991 1.00 41.23 H new ATOM 0 HA3 GLY A 81 -30.348 -24.165 -17.654 1.00 41.23 H new ATOM 1256 N ARG A 82 -27.451 -25.323 -16.766 1.00 21.14 N ATOM 1257 CA ARG A 82 -26.415 -26.292 -17.076 1.00 3.02 C ATOM 1258 C ARG A 82 -25.787 -26.824 -15.793 1.00 62.01 C ATOM 1259 O ARG A 82 -25.459 -26.054 -14.890 1.00 53.34 O ATOM 1260 CB ARG A 82 -25.352 -25.641 -17.971 1.00 64.23 C ATOM 1261 CG ARG A 82 -24.187 -26.551 -18.330 1.00 15.14 C ATOM 1262 CD ARG A 82 -24.656 -27.863 -18.938 1.00 0.02 C ATOM 1263 NE ARG A 82 -25.598 -27.661 -20.034 1.00 11.23 N ATOM 1264 CZ ARG A 82 -26.618 -28.478 -20.302 1.00 1.22 C ATOM 1265 NH1 ARG A 82 -26.789 -29.589 -19.599 1.00 21.41 N ATOM 1266 NH2 ARG A 82 -27.461 -28.185 -21.284 1.00 72.01 N ATOM 0 H ARG A 82 -27.146 -24.561 -16.160 1.00 21.14 H new ATOM 0 HA ARG A 82 -26.858 -27.133 -17.610 1.00 3.02 H new ATOM 0 HB2 ARG A 82 -25.828 -25.301 -18.891 1.00 64.23 H new ATOM 0 HB3 ARG A 82 -24.964 -24.756 -17.467 1.00 64.23 H new ATOM 0 HG2 ARG A 82 -23.531 -26.039 -19.034 1.00 15.14 H new ATOM 0 HG3 ARG A 82 -23.598 -26.756 -17.436 1.00 15.14 H new ATOM 0 HD2 ARG A 82 -23.793 -28.421 -19.302 1.00 0.02 H new ATOM 0 HD3 ARG A 82 -25.126 -28.471 -18.165 1.00 0.02 H new ATOM 0 HE ARG A 82 -25.469 -26.845 -20.632 1.00 11.23 H new ATOM 0 HH11 ARG A 82 -26.139 -29.823 -18.849 1.00 21.41 H new ATOM 0 HH12 ARG A 82 -27.571 -30.210 -19.808 1.00 21.41 H new ATOM 0 HH21 ARG A 82 -27.329 -27.336 -21.833 1.00 72.01 H new ATOM 0 HH22 ARG A 82 -28.241 -28.809 -21.490 1.00 72.01 H new ATOM 1280 N VAL A 83 -25.649 -28.142 -15.707 1.00 62.20 N ATOM 1281 CA VAL A 83 -25.008 -28.769 -14.560 1.00 30.21 C ATOM 1282 C VAL A 83 -23.496 -28.719 -14.721 1.00 23.04 C ATOM 1283 O VAL A 83 -22.955 -29.144 -15.743 1.00 22.24 O ATOM 1284 CB VAL A 83 -25.456 -30.234 -14.379 1.00 43.55 C ATOM 1285 CG1 VAL A 83 -24.773 -30.865 -13.175 1.00 75.51 C ATOM 1286 CG2 VAL A 83 -26.966 -30.320 -14.239 1.00 24.44 C ATOM 0 H VAL A 83 -25.973 -28.797 -16.419 1.00 62.20 H new ATOM 0 HA VAL A 83 -25.309 -28.213 -13.672 1.00 30.21 H new ATOM 0 HB VAL A 83 -25.160 -30.789 -15.269 1.00 43.55 H new ATOM 0 HG11 VAL A 83 -25.105 -31.898 -13.068 1.00 75.51 H new ATOM 0 HG12 VAL A 83 -23.693 -30.844 -13.317 1.00 75.51 H new ATOM 0 HG13 VAL A 83 -25.031 -30.306 -12.276 1.00 75.51 H new ATOM 0 HG21 VAL A 83 -27.261 -31.362 -14.112 1.00 24.44 H new ATOM 0 HG22 VAL A 83 -27.284 -29.745 -13.370 1.00 24.44 H new ATOM 0 HG23 VAL A 83 -27.438 -29.916 -15.134 1.00 24.44 H new ATOM 1296 N VAL A 84 -22.821 -28.192 -13.717 1.00 23.44 N ATOM 1297 CA VAL A 84 -21.380 -28.017 -13.778 1.00 5.32 C ATOM 1298 C VAL A 84 -20.681 -28.771 -12.655 1.00 21.42 C ATOM 1299 O VAL A 84 -21.327 -29.345 -11.775 1.00 5.32 O ATOM 1300 CB VAL A 84 -20.995 -26.526 -13.692 1.00 10.13 C ATOM 1301 CG1 VAL A 84 -21.622 -25.747 -14.835 1.00 11.31 C ATOM 1302 CG2 VAL A 84 -21.409 -25.935 -12.350 1.00 14.31 C ATOM 0 H VAL A 84 -23.248 -27.876 -12.846 1.00 23.44 H new ATOM 0 HA VAL A 84 -21.055 -28.420 -14.737 1.00 5.32 H new ATOM 0 HB VAL A 84 -19.911 -26.450 -13.776 1.00 10.13 H new ATOM 0 HG11 VAL A 84 -21.339 -24.697 -14.758 1.00 11.31 H new ATOM 0 HG12 VAL A 84 -21.270 -26.149 -15.785 1.00 11.31 H new ATOM 0 HG13 VAL A 84 -22.707 -25.835 -14.783 1.00 11.31 H new ATOM 0 HG21 VAL A 84 -21.127 -24.883 -12.313 1.00 14.31 H new ATOM 0 HG22 VAL A 84 -22.489 -26.026 -12.230 1.00 14.31 H new ATOM 0 HG23 VAL A 84 -20.908 -26.473 -11.545 1.00 14.31 H new ATOM 1312 N GLU A 85 -19.361 -28.774 -12.705 1.00 54.25 N ATOM 1313 CA GLU A 85 -18.557 -29.287 -11.613 1.00 35.04 C ATOM 1314 C GLU A 85 -17.751 -28.159 -11.007 1.00 11.21 C ATOM 1315 O GLU A 85 -16.886 -27.593 -11.669 1.00 23.24 O ATOM 1316 CB GLU A 85 -17.588 -30.377 -12.063 1.00 52.33 C ATOM 1317 CG GLU A 85 -18.211 -31.739 -12.286 1.00 41.45 C ATOM 1318 CD GLU A 85 -17.162 -32.835 -12.327 1.00 0.25 C ATOM 1319 OE1 GLU A 85 -15.958 -32.513 -12.445 1.00 74.51 O ATOM 1320 OE2 GLU A 85 -17.527 -34.020 -12.217 1.00 22.31 O ATOM 0 H GLU A 85 -18.821 -28.424 -13.497 1.00 54.25 H new ATOM 0 HA GLU A 85 -19.245 -29.719 -10.886 1.00 35.04 H new ATOM 0 HB2 GLU A 85 -17.111 -30.057 -12.989 1.00 52.33 H new ATOM 0 HB3 GLU A 85 -16.801 -30.473 -11.315 1.00 52.33 H new ATOM 0 HG2 GLU A 85 -18.925 -31.948 -11.489 1.00 41.45 H new ATOM 0 HG3 GLU A 85 -18.770 -31.735 -13.222 1.00 41.45 H new ATOM 1327 N PRO A 86 -18.044 -27.797 -9.761 1.00 42.11 N ATOM 1328 CA PRO A 86 -17.265 -26.830 -9.028 1.00 33.15 C ATOM 1329 C PRO A 86 -16.166 -27.513 -8.217 1.00 51.21 C ATOM 1330 O PRO A 86 -16.423 -28.130 -7.179 1.00 71.42 O ATOM 1331 CB PRO A 86 -18.311 -26.162 -8.138 1.00 41.14 C ATOM 1332 CG PRO A 86 -19.476 -27.109 -8.062 1.00 33.51 C ATOM 1333 CD PRO A 86 -19.171 -28.280 -8.964 1.00 13.22 C ATOM 0 HA PRO A 86 -16.736 -26.118 -9.662 1.00 33.15 H new ATOM 0 HB2 PRO A 86 -17.906 -25.965 -7.145 1.00 41.14 H new ATOM 0 HB3 PRO A 86 -18.618 -25.202 -8.554 1.00 41.14 H new ATOM 0 HG2 PRO A 86 -19.630 -27.445 -7.037 1.00 33.51 H new ATOM 0 HG3 PRO A 86 -20.394 -26.613 -8.376 1.00 33.51 H new ATOM 0 HD2 PRO A 86 -18.909 -29.171 -8.394 1.00 13.22 H new ATOM 0 HD3 PRO A 86 -20.025 -28.541 -9.589 1.00 13.22 H new ATOM 1341 N LYS A 87 -14.946 -27.417 -8.724 1.00 60.03 N ATOM 1342 CA LYS A 87 -13.812 -28.153 -8.179 1.00 13.30 C ATOM 1343 C LYS A 87 -12.756 -27.190 -7.643 1.00 50.44 C ATOM 1344 O LYS A 87 -12.688 -26.044 -8.075 1.00 1.43 O ATOM 1345 CB LYS A 87 -13.216 -29.024 -9.289 1.00 72.10 C ATOM 1346 CG LYS A 87 -14.264 -29.846 -10.026 1.00 4.42 C ATOM 1347 CD LYS A 87 -13.922 -30.001 -11.495 1.00 14.13 C ATOM 1348 CE LYS A 87 -12.848 -31.048 -11.724 1.00 43.31 C ATOM 1349 NZ LYS A 87 -13.348 -32.421 -11.454 1.00 25.21 N ATOM 0 H LYS A 87 -14.713 -26.828 -9.524 1.00 60.03 H new ATOM 0 HA LYS A 87 -14.147 -28.780 -7.353 1.00 13.30 H new ATOM 0 HB2 LYS A 87 -12.694 -28.387 -10.003 1.00 72.10 H new ATOM 0 HB3 LYS A 87 -12.473 -29.695 -8.858 1.00 72.10 H new ATOM 0 HG2 LYS A 87 -14.345 -30.830 -9.565 1.00 4.42 H new ATOM 0 HG3 LYS A 87 -15.238 -29.367 -9.927 1.00 4.42 H new ATOM 0 HD2 LYS A 87 -14.820 -30.276 -12.049 1.00 14.13 H new ATOM 0 HD3 LYS A 87 -13.584 -29.043 -11.891 1.00 14.13 H new ATOM 0 HE2 LYS A 87 -12.494 -30.986 -12.753 1.00 43.31 H new ATOM 0 HE3 LYS A 87 -11.994 -30.839 -11.080 1.00 43.31 H new ATOM 0 HZ1 LYS A 87 -12.734 -33.114 -11.928 1.00 25.21 H new ATOM 0 HZ2 LYS A 87 -13.342 -32.597 -10.429 1.00 25.21 H new ATOM 0 HZ3 LYS A 87 -14.319 -32.514 -11.816 1.00 25.21 H new ATOM 1363 N ARG A 88 -11.952 -27.650 -6.695 1.00 31.01 N ATOM 1364 CA ARG A 88 -10.849 -26.852 -6.166 1.00 51.03 C ATOM 1365 C ARG A 88 -9.850 -26.566 -7.287 1.00 11.34 C ATOM 1366 O ARG A 88 -9.439 -27.481 -8.006 1.00 61.50 O ATOM 1367 CB ARG A 88 -10.150 -27.610 -5.030 1.00 10.44 C ATOM 1368 CG ARG A 88 -9.954 -26.811 -3.747 1.00 5.32 C ATOM 1369 CD ARG A 88 -11.266 -26.606 -2.999 1.00 43.24 C ATOM 1370 NE ARG A 88 -11.051 -26.213 -1.604 1.00 0.25 N ATOM 1371 CZ ARG A 88 -11.957 -26.357 -0.628 1.00 53.40 C ATOM 1372 NH1 ARG A 88 -13.149 -26.885 -0.889 1.00 52.02 N ATOM 1373 NH2 ARG A 88 -11.663 -25.986 0.614 1.00 1.15 N ATOM 0 H ARG A 88 -12.041 -28.575 -6.274 1.00 31.01 H new ATOM 0 HA ARG A 88 -11.239 -25.912 -5.775 1.00 51.03 H new ATOM 0 HB2 ARG A 88 -10.730 -28.503 -4.799 1.00 10.44 H new ATOM 0 HB3 ARG A 88 -9.175 -27.946 -5.384 1.00 10.44 H new ATOM 0 HG2 ARG A 88 -9.245 -27.329 -3.101 1.00 5.32 H new ATOM 0 HG3 ARG A 88 -9.517 -25.841 -3.986 1.00 5.32 H new ATOM 0 HD2 ARG A 88 -11.855 -25.840 -3.504 1.00 43.24 H new ATOM 0 HD3 ARG A 88 -11.848 -27.527 -3.030 1.00 43.24 H new ATOM 0 HE ARG A 88 -10.150 -25.802 -1.359 1.00 0.25 H new ATOM 0 HH11 ARG A 88 -13.378 -27.183 -1.837 1.00 52.02 H new ATOM 0 HH12 ARG A 88 -13.834 -26.992 -0.141 1.00 52.02 H new ATOM 0 HH21 ARG A 88 -10.747 -25.591 0.825 1.00 1.15 H new ATOM 0 HH22 ARG A 88 -12.354 -26.096 1.356 1.00 1.15 H new ATOM 1387 N ALA A 89 -9.468 -25.308 -7.440 1.00 44.00 N ATOM 1388 CA ALA A 89 -8.607 -24.906 -8.543 1.00 74.33 C ATOM 1389 C ALA A 89 -7.161 -25.348 -8.341 1.00 52.35 C ATOM 1390 O ALA A 89 -6.613 -25.278 -7.239 1.00 30.42 O ATOM 1391 CB ALA A 89 -8.675 -23.402 -8.743 1.00 41.42 C ATOM 0 H ALA A 89 -9.740 -24.548 -6.816 1.00 44.00 H new ATOM 0 HA ALA A 89 -8.975 -25.407 -9.438 1.00 74.33 H new ATOM 0 HB1 ALA A 89 -8.026 -23.115 -9.571 1.00 41.42 H new ATOM 0 HB2 ALA A 89 -9.701 -23.111 -8.968 1.00 41.42 H new ATOM 0 HB3 ALA A 89 -8.346 -22.899 -7.834 1.00 41.42 H new ATOM 1397 N VAL A 90 -6.562 -25.821 -9.425 1.00 62.12 N ATOM 1398 CA VAL A 90 -5.152 -26.181 -9.457 1.00 34.13 C ATOM 1399 C VAL A 90 -4.345 -24.959 -9.913 1.00 73.33 C ATOM 1400 O VAL A 90 -4.930 -23.926 -10.229 1.00 40.03 O ATOM 1401 CB VAL A 90 -4.929 -27.381 -10.420 1.00 74.51 C ATOM 1402 CG1 VAL A 90 -5.096 -26.960 -11.872 1.00 33.21 C ATOM 1403 CG2 VAL A 90 -3.575 -28.041 -10.203 1.00 44.25 C ATOM 0 H VAL A 90 -7.044 -25.966 -10.312 1.00 62.12 H new ATOM 0 HA VAL A 90 -4.820 -26.483 -8.464 1.00 34.13 H new ATOM 0 HB VAL A 90 -5.695 -28.121 -10.188 1.00 74.51 H new ATOM 0 HG11 VAL A 90 -4.934 -27.820 -12.521 1.00 33.21 H new ATOM 0 HG12 VAL A 90 -6.104 -26.574 -12.025 1.00 33.21 H new ATOM 0 HG13 VAL A 90 -4.370 -26.183 -12.111 1.00 33.21 H new ATOM 0 HG21 VAL A 90 -3.461 -28.874 -10.896 1.00 44.25 H new ATOM 0 HG22 VAL A 90 -2.783 -27.313 -10.378 1.00 44.25 H new ATOM 0 HG23 VAL A 90 -3.510 -28.409 -9.179 1.00 44.25 H new