USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 650 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 43 ASN : amide:sc= -4.58! K(o=-4.8!,f=-2.2) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.188 K(o=-4.8,f=-2.2) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.352 X(o=0.35,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 140:sc= -0.278 (180deg=-1.89) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 42:sc= 0.356 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -1.58 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -5.28! C(o=-5.3!,f=-7.8!) USER MOD Single : A 76 MET CE :methyl -131:sc= -0.081 (180deg=-4.61!) USER MOD Single : A 77 GLN : amide:sc= 1.15 K(o=1.2,f=-0.88) USER MOD Single : A 78 GLN : amide:sc= -0.0192 X(o=-0.019,f=-0.22) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -147:sc= 0 (180deg=-1.17) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 78:sc= 0.971 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.6!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 10 2.338 20.959 -3.916 1.00 34.41 N ATOM 97 CA ALA A 10 1.358 20.041 -4.479 1.00 71.14 C ATOM 98 C ALA A 10 1.711 18.593 -4.154 1.00 62.23 C ATOM 99 O ALA A 10 0.864 17.704 -4.243 1.00 12.23 O ATOM 100 CB ALA A 10 1.255 20.236 -5.985 1.00 53.42 C ATOM 0 HA ALA A 10 0.390 20.261 -4.028 1.00 71.14 H new ATOM 0 HB1 ALA A 10 0.519 19.543 -6.392 1.00 53.42 H new ATOM 0 HB2 ALA A 10 0.947 21.260 -6.199 1.00 53.42 H new ATOM 0 HB3 ALA A 10 2.225 20.045 -6.444 1.00 53.42 H new ATOM 106 N GLU A 11 2.965 18.364 -3.777 1.00 1.20 N ATOM 107 CA GLU A 11 3.428 17.023 -3.440 1.00 1.11 C ATOM 108 C GLU A 11 2.814 16.550 -2.126 1.00 14.52 C ATOM 109 O GLU A 11 2.546 15.362 -1.947 1.00 51.25 O ATOM 110 CB GLU A 11 4.954 16.997 -3.342 1.00 1.34 C ATOM 111 CG GLU A 11 5.642 16.630 -4.646 1.00 5.33 C ATOM 112 CD GLU A 11 5.865 17.830 -5.547 1.00 33.12 C ATOM 113 OE1 GLU A 11 6.028 18.947 -5.014 1.00 22.02 O ATOM 114 OE2 GLU A 11 5.877 17.650 -6.781 1.00 25.54 O ATOM 0 H GLU A 11 3.678 19.089 -3.697 1.00 1.20 H new ATOM 0 HA GLU A 11 3.111 16.346 -4.233 1.00 1.11 H new ATOM 0 HB2 GLU A 11 5.306 17.977 -3.019 1.00 1.34 H new ATOM 0 HB3 GLU A 11 5.248 16.283 -2.573 1.00 1.34 H new ATOM 0 HG2 GLU A 11 6.602 16.162 -4.427 1.00 5.33 H new ATOM 0 HG3 GLU A 11 5.040 15.891 -5.174 1.00 5.33 H new ATOM 122 N ILE A 12 2.597 17.488 -1.209 1.00 61.34 N ATOM 123 CA ILE A 12 2.015 17.167 0.087 1.00 41.22 C ATOM 124 C ILE A 12 0.542 16.794 -0.048 1.00 5.53 C ATOM 125 O ILE A 12 0.149 15.659 0.222 1.00 13.43 O ATOM 126 CB ILE A 12 2.147 18.346 1.071 1.00 34.23 C ATOM 127 CG1 ILE A 12 3.531 18.340 1.723 1.00 24.12 C ATOM 128 CG2 ILE A 12 1.057 18.276 2.129 1.00 45.42 C ATOM 129 CD1 ILE A 12 3.778 19.528 2.626 1.00 51.41 C ATOM 0 H ILE A 12 2.816 18.476 -1.341 1.00 61.34 H new ATOM 0 HA ILE A 12 2.568 16.314 0.479 1.00 41.22 H new ATOM 0 HB ILE A 12 2.030 19.278 0.518 1.00 34.23 H new ATOM 0 HG12 ILE A 12 3.647 17.424 2.302 1.00 24.12 H new ATOM 0 HG13 ILE A 12 4.292 18.323 0.942 1.00 24.12 H new ATOM 0 HG21 ILE A 12 1.163 19.115 2.817 1.00 45.42 H new ATOM 0 HG22 ILE A 12 0.080 18.322 1.648 1.00 45.42 H new ATOM 0 HG23 ILE A 12 1.146 17.341 2.681 1.00 45.42 H new ATOM 0 HD11 ILE A 12 4.778 19.458 3.054 1.00 51.41 H new ATOM 0 HD12 ILE A 12 3.694 20.448 2.048 1.00 51.41 H new ATOM 0 HD13 ILE A 12 3.040 19.535 3.428 1.00 51.41 H new ATOM 141 N LYS A 13 -0.269 17.759 -0.468 1.00 42.30 N ATOM 142 CA LYS A 13 -1.700 17.535 -0.643 1.00 31.41 C ATOM 143 C LYS A 13 -1.970 16.125 -1.161 1.00 0.42 C ATOM 144 O LYS A 13 -2.989 15.519 -0.835 1.00 65.45 O ATOM 145 CB LYS A 13 -2.285 18.566 -1.610 1.00 75.41 C ATOM 146 CG LYS A 13 -1.600 18.586 -2.965 1.00 21.14 C ATOM 147 CD LYS A 13 -2.214 19.626 -3.885 1.00 23.41 C ATOM 148 CE LYS A 13 -2.185 21.012 -3.259 1.00 50.34 C ATOM 149 NZ LYS A 13 -2.500 22.077 -4.252 1.00 15.31 N ATOM 0 H LYS A 13 0.040 18.704 -0.694 1.00 42.30 H new ATOM 0 HA LYS A 13 -2.181 17.645 0.329 1.00 31.41 H new ATOM 0 HB2 LYS A 13 -3.346 18.358 -1.751 1.00 75.41 H new ATOM 0 HB3 LYS A 13 -2.211 19.556 -1.160 1.00 75.41 H new ATOM 0 HG2 LYS A 13 -0.539 18.796 -2.834 1.00 21.14 H new ATOM 0 HG3 LYS A 13 -1.675 17.601 -3.426 1.00 21.14 H new ATOM 0 HD2 LYS A 13 -1.672 19.642 -4.831 1.00 23.41 H new ATOM 0 HD3 LYS A 13 -3.244 19.350 -4.112 1.00 23.41 H new ATOM 0 HE2 LYS A 13 -2.903 21.055 -2.440 1.00 50.34 H new ATOM 0 HE3 LYS A 13 -1.200 21.196 -2.830 1.00 50.34 H new ATOM 0 HZ1 LYS A 13 -2.470 23.006 -3.786 1.00 15.31 H new ATOM 0 HZ2 LYS A 13 -1.800 22.053 -5.021 1.00 15.31 H new ATOM 0 HZ3 LYS A 13 -3.450 21.917 -4.643 1.00 15.31 H new ATOM 163 N ILE A 14 -1.048 15.610 -1.968 1.00 34.13 N ATOM 164 CA ILE A 14 -1.186 14.272 -2.529 1.00 54.14 C ATOM 165 C ILE A 14 -0.949 13.204 -1.467 1.00 54.24 C ATOM 166 O ILE A 14 -1.729 12.261 -1.336 1.00 71.44 O ATOM 167 CB ILE A 14 -0.205 14.046 -3.695 1.00 65.35 C ATOM 168 CG1 ILE A 14 -0.659 14.830 -4.929 1.00 33.12 C ATOM 169 CG2 ILE A 14 -0.096 12.562 -4.014 1.00 22.24 C ATOM 170 CD1 ILE A 14 0.370 14.855 -6.038 1.00 65.44 C ATOM 0 H ILE A 14 -0.198 16.099 -2.248 1.00 34.13 H new ATOM 0 HA ILE A 14 -2.207 14.190 -2.903 1.00 54.14 H new ATOM 0 HB ILE A 14 0.780 14.407 -3.399 1.00 65.35 H new ATOM 0 HG12 ILE A 14 -1.582 14.392 -5.309 1.00 33.12 H new ATOM 0 HG13 ILE A 14 -0.890 15.854 -4.635 1.00 33.12 H new ATOM 0 HG21 ILE A 14 0.601 12.418 -4.840 1.00 22.24 H new ATOM 0 HG22 ILE A 14 0.266 12.027 -3.136 1.00 22.24 H new ATOM 0 HG23 ILE A 14 -1.076 12.177 -4.295 1.00 22.24 H new ATOM 0 HD11 ILE A 14 -0.017 15.427 -6.881 1.00 65.44 H new ATOM 0 HD12 ILE A 14 1.286 15.320 -5.674 1.00 65.44 H new ATOM 0 HD13 ILE A 14 0.584 13.836 -6.359 1.00 65.44 H new ATOM 182 N ILE A 15 0.132 13.360 -0.709 1.00 63.50 N ATOM 183 CA ILE A 15 0.469 12.410 0.344 1.00 12.15 C ATOM 184 C ILE A 15 -0.687 12.241 1.323 1.00 23.01 C ATOM 185 O ILE A 15 -0.854 11.180 1.925 1.00 73.00 O ATOM 186 CB ILE A 15 1.723 12.854 1.120 1.00 31.33 C ATOM 187 CG1 ILE A 15 2.920 12.973 0.173 1.00 11.02 C ATOM 188 CG2 ILE A 15 2.026 11.872 2.242 1.00 43.20 C ATOM 189 CD1 ILE A 15 4.028 13.853 0.709 1.00 5.44 C ATOM 0 H ILE A 15 0.789 14.135 -0.805 1.00 63.50 H new ATOM 0 HA ILE A 15 0.671 11.456 -0.144 1.00 12.15 H new ATOM 0 HB ILE A 15 1.532 13.833 1.560 1.00 31.33 H new ATOM 0 HG12 ILE A 15 3.319 11.978 -0.022 1.00 11.02 H new ATOM 0 HG13 ILE A 15 2.579 13.373 -0.782 1.00 11.02 H new ATOM 0 HG21 ILE A 15 2.915 12.199 2.782 1.00 43.20 H new ATOM 0 HG22 ILE A 15 1.180 11.831 2.928 1.00 43.20 H new ATOM 0 HG23 ILE A 15 2.201 10.882 1.821 1.00 43.20 H new ATOM 0 HD11 ILE A 15 4.843 13.892 -0.013 1.00 5.44 H new ATOM 0 HD12 ILE A 15 3.644 14.859 0.878 1.00 5.44 H new ATOM 0 HD13 ILE A 15 4.396 13.443 1.649 1.00 5.44 H new ATOM 201 N ARG A 16 -1.485 13.293 1.476 1.00 43.00 N ATOM 202 CA ARG A 16 -2.626 13.261 2.382 1.00 0.22 C ATOM 203 C ARG A 16 -3.673 12.260 1.902 1.00 63.22 C ATOM 204 O ARG A 16 -3.933 11.254 2.562 1.00 22.31 O ATOM 205 CB ARG A 16 -3.251 14.652 2.499 1.00 45.31 C ATOM 206 CG ARG A 16 -2.834 15.404 3.751 1.00 1.43 C ATOM 207 CD ARG A 16 -3.815 16.517 4.087 1.00 40.00 C ATOM 208 NE ARG A 16 -4.216 16.488 5.491 1.00 3.42 N ATOM 209 CZ ARG A 16 -5.279 17.129 5.964 1.00 41.25 C ATOM 210 NH1 ARG A 16 -6.044 17.843 5.150 1.00 45.51 N ATOM 211 NH2 ARG A 16 -5.581 17.055 7.255 1.00 32.10 N ATOM 0 H ARG A 16 -1.362 14.178 0.984 1.00 43.00 H new ATOM 0 HA ARG A 16 -2.270 12.947 3.363 1.00 0.22 H new ATOM 0 HB2 ARG A 16 -2.975 15.240 1.624 1.00 45.31 H new ATOM 0 HB3 ARG A 16 -4.337 14.555 2.488 1.00 45.31 H new ATOM 0 HG2 ARG A 16 -2.769 14.710 4.589 1.00 1.43 H new ATOM 0 HG3 ARG A 16 -1.839 15.826 3.609 1.00 1.43 H new ATOM 0 HD2 ARG A 16 -3.361 17.481 3.860 1.00 40.00 H new ATOM 0 HD3 ARG A 16 -4.699 16.424 3.456 1.00 40.00 H new ATOM 0 HE ARG A 16 -3.649 15.946 6.144 1.00 3.42 H new ATOM 0 HH11 ARG A 16 -5.817 17.901 4.157 1.00 45.51 H new ATOM 0 HH12 ARG A 16 -6.860 18.334 5.516 1.00 45.51 H new ATOM 0 HH21 ARG A 16 -4.996 16.505 7.885 1.00 32.10 H new ATOM 0 HH22 ARG A 16 -6.398 17.548 7.617 1.00 32.10 H new ATOM 225 N GLU A 17 -4.271 12.544 0.749 1.00 32.33 N ATOM 226 CA GLU A 17 -5.290 11.670 0.181 1.00 34.31 C ATOM 227 C GLU A 17 -4.784 10.233 0.087 1.00 54.21 C ATOM 228 O GLU A 17 -5.538 9.283 0.295 1.00 14.31 O ATOM 229 CB GLU A 17 -5.706 12.166 -1.205 1.00 64.21 C ATOM 230 CG GLU A 17 -7.043 11.616 -1.672 1.00 35.31 C ATOM 231 CD GLU A 17 -7.153 11.556 -3.183 1.00 74.45 C ATOM 232 OE1 GLU A 17 -8.154 11.000 -3.683 1.00 1.15 O ATOM 233 OE2 GLU A 17 -6.238 12.063 -3.867 1.00 51.13 O ATOM 0 H GLU A 17 -4.067 13.373 0.190 1.00 32.33 H new ATOM 0 HA GLU A 17 -6.157 11.690 0.841 1.00 34.31 H new ATOM 0 HB2 GLU A 17 -5.755 13.255 -1.192 1.00 64.21 H new ATOM 0 HB3 GLU A 17 -4.937 11.890 -1.926 1.00 64.21 H new ATOM 0 HG2 GLU A 17 -7.184 10.616 -1.261 1.00 35.31 H new ATOM 0 HG3 GLU A 17 -7.846 12.239 -1.277 1.00 35.31 H new ATOM 241 N ALA A 18 -3.501 10.083 -0.227 1.00 20.21 N ATOM 242 CA ALA A 18 -2.892 8.764 -0.348 1.00 61.13 C ATOM 243 C ALA A 18 -2.703 8.120 1.021 1.00 50.44 C ATOM 244 O ALA A 18 -2.587 6.900 1.134 1.00 61.23 O ATOM 245 CB ALA A 18 -1.559 8.862 -1.075 1.00 70.24 C ATOM 0 H ALA A 18 -2.863 10.859 -0.402 1.00 20.21 H new ATOM 0 HA ALA A 18 -3.564 8.133 -0.929 1.00 61.13 H new ATOM 0 HB1 ALA A 18 -1.116 7.870 -1.158 1.00 70.24 H new ATOM 0 HB2 ALA A 18 -1.718 9.273 -2.072 1.00 70.24 H new ATOM 0 HB3 ALA A 18 -0.887 9.514 -0.517 1.00 70.24 H new ATOM 251 N TYR A 19 -2.672 8.948 2.061 1.00 12.12 N ATOM 252 CA TYR A 19 -2.493 8.459 3.422 1.00 63.15 C ATOM 253 C TYR A 19 -3.826 8.020 4.023 1.00 44.23 C ATOM 254 O TYR A 19 -3.894 7.041 4.766 1.00 21.01 O ATOM 255 CB TYR A 19 -1.860 9.543 4.297 1.00 75.01 C ATOM 256 CG TYR A 19 -1.983 9.272 5.780 1.00 63.13 C ATOM 257 CD1 TYR A 19 -1.379 8.162 6.356 1.00 33.13 C ATOM 258 CD2 TYR A 19 -2.704 10.127 6.604 1.00 23.45 C ATOM 259 CE1 TYR A 19 -1.489 7.911 7.709 1.00 5.35 C ATOM 260 CE2 TYR A 19 -2.819 9.886 7.959 1.00 75.22 C ATOM 261 CZ TYR A 19 -2.210 8.776 8.507 1.00 3.30 C ATOM 262 OH TYR A 19 -2.322 8.530 9.857 1.00 70.21 O ATOM 0 H TYR A 19 -2.769 9.961 1.986 1.00 12.12 H new ATOM 0 HA TYR A 19 -1.828 7.596 3.386 1.00 63.15 H new ATOM 0 HB2 TYR A 19 -0.805 9.636 4.039 1.00 75.01 H new ATOM 0 HB3 TYR A 19 -2.329 10.501 4.071 1.00 75.01 H new ATOM 0 HD1 TYR A 19 -0.813 7.483 5.735 1.00 33.13 H new ATOM 0 HD2 TYR A 19 -3.183 10.996 6.177 1.00 23.45 H new ATOM 0 HE1 TYR A 19 -1.014 7.043 8.141 1.00 5.35 H new ATOM 0 HE2 TYR A 19 -3.382 10.562 8.585 1.00 75.22 H new ATOM 0 HH TYR A 19 -2.861 9.234 10.274 1.00 70.21 H new ATOM 272 N LYS A 20 -4.885 8.753 3.693 1.00 41.45 N ATOM 273 CA LYS A 20 -6.218 8.441 4.198 1.00 35.51 C ATOM 274 C LYS A 20 -6.808 7.240 3.466 1.00 32.11 C ATOM 275 O LYS A 20 -6.977 6.167 4.046 1.00 42.10 O ATOM 276 CB LYS A 20 -7.141 9.651 4.041 1.00 3.15 C ATOM 277 CG LYS A 20 -7.971 9.948 5.278 1.00 74.21 C ATOM 278 CD LYS A 20 -8.771 11.229 5.119 1.00 25.04 C ATOM 279 CE LYS A 20 -10.022 11.007 4.282 1.00 54.31 C ATOM 280 NZ LYS A 20 -10.027 11.853 3.058 1.00 65.43 N ATOM 0 H LYS A 20 -4.846 9.566 3.079 1.00 41.45 H new ATOM 0 HA LYS A 20 -6.131 8.193 5.256 1.00 35.51 H new ATOM 0 HB2 LYS A 20 -6.540 10.527 3.798 1.00 3.15 H new ATOM 0 HB3 LYS A 20 -7.810 9.480 3.197 1.00 3.15 H new ATOM 0 HG2 LYS A 20 -8.649 9.116 5.471 1.00 74.21 H new ATOM 0 HG3 LYS A 20 -7.316 10.033 6.145 1.00 74.21 H new ATOM 0 HD2 LYS A 20 -9.052 11.607 6.102 1.00 25.04 H new ATOM 0 HD3 LYS A 20 -8.149 11.991 4.650 1.00 25.04 H new ATOM 0 HE2 LYS A 20 -10.087 9.957 3.998 1.00 54.31 H new ATOM 0 HE3 LYS A 20 -10.904 11.230 4.882 1.00 54.31 H new ATOM 0 HZ1 LYS A 20 -10.895 11.673 2.515 1.00 65.43 H new ATOM 0 HZ2 LYS A 20 -9.990 12.856 3.329 1.00 65.43 H new ATOM 0 HZ3 LYS A 20 -9.199 11.622 2.473 1.00 65.43 H new ATOM 294 N LYS A 21 -7.119 7.426 2.187 1.00 63.21 N ATOM 295 CA LYS A 21 -7.689 6.357 1.375 1.00 2.32 C ATOM 296 C LYS A 21 -6.907 5.059 1.557 1.00 4.31 C ATOM 297 O LYS A 21 -7.475 3.969 1.499 1.00 23.43 O ATOM 298 CB LYS A 21 -7.693 6.759 -0.102 1.00 41.33 C ATOM 299 CG LYS A 21 -8.514 8.004 -0.391 1.00 71.30 C ATOM 300 CD LYS A 21 -9.260 7.886 -1.710 1.00 1.33 C ATOM 301 CE LYS A 21 -10.606 8.592 -1.654 1.00 21.03 C ATOM 302 NZ LYS A 21 -11.675 7.802 -2.325 1.00 22.04 N ATOM 0 H LYS A 21 -6.986 8.307 1.691 1.00 63.21 H new ATOM 0 HA LYS A 21 -8.715 6.192 1.704 1.00 2.32 H new ATOM 0 HB2 LYS A 21 -6.666 6.927 -0.427 1.00 41.33 H new ATOM 0 HB3 LYS A 21 -8.083 5.931 -0.694 1.00 41.33 H new ATOM 0 HG2 LYS A 21 -9.226 8.167 0.418 1.00 71.30 H new ATOM 0 HG3 LYS A 21 -7.859 8.875 -0.419 1.00 71.30 H new ATOM 0 HD2 LYS A 21 -8.656 8.314 -2.510 1.00 1.33 H new ATOM 0 HD3 LYS A 21 -9.410 6.834 -1.952 1.00 1.33 H new ATOM 0 HE2 LYS A 21 -10.882 8.766 -0.614 1.00 21.03 H new ATOM 0 HE3 LYS A 21 -10.524 9.569 -2.130 1.00 21.03 H new ATOM 0 HZ1 LYS A 21 -12.577 8.317 -2.265 1.00 22.04 H new ATOM 0 HZ2 LYS A 21 -11.425 7.657 -3.324 1.00 22.04 H new ATOM 0 HZ3 LYS A 21 -11.772 6.879 -1.855 1.00 22.04 H new ATOM 316 N ALA A 22 -5.603 5.186 1.780 1.00 41.12 N ATOM 317 CA ALA A 22 -4.746 4.024 1.974 1.00 61.24 C ATOM 318 C ALA A 22 -5.086 3.302 3.273 1.00 11.43 C ATOM 319 O ALA A 22 -5.151 2.074 3.314 1.00 70.44 O ATOM 320 CB ALA A 22 -3.283 4.440 1.967 1.00 20.33 C ATOM 0 H ALA A 22 -5.118 6.082 1.831 1.00 41.12 H new ATOM 0 HA ALA A 22 -4.920 3.334 1.149 1.00 61.24 H new ATOM 0 HB1 ALA A 22 -2.654 3.562 2.113 1.00 20.33 H new ATOM 0 HB2 ALA A 22 -3.041 4.904 1.011 1.00 20.33 H new ATOM 0 HB3 ALA A 22 -3.103 5.153 2.772 1.00 20.33 H new ATOM 326 N PHE A 23 -5.300 4.072 4.335 1.00 23.43 N ATOM 327 CA PHE A 23 -5.633 3.506 5.636 1.00 10.34 C ATOM 328 C PHE A 23 -7.133 3.258 5.756 1.00 21.32 C ATOM 329 O PHE A 23 -7.591 2.572 6.670 1.00 74.32 O ATOM 330 CB PHE A 23 -5.167 4.440 6.755 1.00 54.35 C ATOM 331 CG PHE A 23 -3.968 3.929 7.502 1.00 1.01 C ATOM 332 CD1 PHE A 23 -4.091 2.892 8.412 1.00 63.25 C ATOM 333 CD2 PHE A 23 -2.717 4.487 7.294 1.00 1.32 C ATOM 334 CE1 PHE A 23 -2.989 2.420 9.101 1.00 31.44 C ATOM 335 CE2 PHE A 23 -1.612 4.021 7.979 1.00 13.22 C ATOM 336 CZ PHE A 23 -1.748 2.985 8.883 1.00 15.24 C ATOM 0 H PHE A 23 -5.249 5.091 4.319 1.00 23.43 H new ATOM 0 HA PHE A 23 -5.118 2.550 5.731 1.00 10.34 H new ATOM 0 HB2 PHE A 23 -4.931 5.415 6.329 1.00 54.35 H new ATOM 0 HB3 PHE A 23 -5.987 4.589 7.458 1.00 54.35 H new ATOM 0 HD1 PHE A 23 -5.059 2.447 8.585 1.00 63.25 H new ATOM 0 HD2 PHE A 23 -2.605 5.296 6.588 1.00 1.32 H new ATOM 0 HE1 PHE A 23 -3.099 1.611 9.808 1.00 31.44 H new ATOM 0 HE2 PHE A 23 -0.643 4.466 7.808 1.00 13.22 H new ATOM 0 HZ PHE A 23 -0.885 2.618 9.418 1.00 15.24 H new ATOM 346 N LEU A 24 -7.895 3.823 4.826 1.00 0.14 N ATOM 347 CA LEU A 24 -9.346 3.666 4.824 1.00 51.12 C ATOM 348 C LEU A 24 -9.749 2.341 4.184 1.00 51.01 C ATOM 349 O LEU A 24 -10.469 1.543 4.785 1.00 32.44 O ATOM 350 CB LEU A 24 -10.005 4.828 4.080 1.00 32.23 C ATOM 351 CG LEU A 24 -11.186 4.464 3.181 1.00 25.01 C ATOM 352 CD1 LEU A 24 -12.400 4.091 4.019 1.00 52.21 C ATOM 353 CD2 LEU A 24 -11.518 5.617 2.244 1.00 42.41 C ATOM 0 H LEU A 24 -7.532 4.394 4.063 1.00 0.14 H new ATOM 0 HA LEU A 24 -9.688 3.667 5.859 1.00 51.12 H new ATOM 0 HB2 LEU A 24 -10.345 5.558 4.815 1.00 32.23 H new ATOM 0 HB3 LEU A 24 -9.247 5.319 3.470 1.00 32.23 H new ATOM 0 HG LEU A 24 -10.906 3.600 2.578 1.00 25.01 H new ATOM 0 HD11 LEU A 24 -13.231 3.835 3.362 1.00 52.21 H new ATOM 0 HD12 LEU A 24 -12.158 3.235 4.649 1.00 52.21 H new ATOM 0 HD13 LEU A 24 -12.682 4.936 4.648 1.00 52.21 H new ATOM 0 HD21 LEU A 24 -12.361 5.340 1.611 1.00 42.41 H new ATOM 0 HD22 LEU A 24 -11.778 6.499 2.830 1.00 42.41 H new ATOM 0 HD23 LEU A 24 -10.653 5.839 1.619 1.00 42.41 H new ATOM 365 N PHE A 25 -9.279 2.115 2.962 1.00 41.42 N ATOM 366 CA PHE A 25 -9.590 0.887 2.239 1.00 55.22 C ATOM 367 C PHE A 25 -9.030 -0.331 2.969 1.00 1.52 C ATOM 368 O PHE A 25 -9.541 -1.442 2.830 1.00 1.32 O ATOM 369 CB PHE A 25 -9.025 0.949 0.819 1.00 34.43 C ATOM 370 CG PHE A 25 -9.810 1.839 -0.101 1.00 14.21 C ATOM 371 CD1 PHE A 25 -11.149 1.589 -0.351 1.00 63.12 C ATOM 372 CD2 PHE A 25 -9.208 2.924 -0.717 1.00 1.33 C ATOM 373 CE1 PHE A 25 -11.875 2.408 -1.198 1.00 53.15 C ATOM 374 CE2 PHE A 25 -9.929 3.746 -1.563 1.00 14.30 C ATOM 375 CZ PHE A 25 -11.264 3.486 -1.804 1.00 72.13 C ATOM 0 H PHE A 25 -8.682 2.765 2.452 1.00 41.42 H new ATOM 0 HA PHE A 25 -10.674 0.790 2.187 1.00 55.22 H new ATOM 0 HB2 PHE A 25 -7.995 1.303 0.862 1.00 34.43 H new ATOM 0 HB3 PHE A 25 -8.999 -0.058 0.403 1.00 34.43 H new ATOM 0 HD1 PHE A 25 -11.632 0.746 0.120 1.00 63.12 H new ATOM 0 HD2 PHE A 25 -8.164 3.130 -0.534 1.00 1.33 H new ATOM 0 HE1 PHE A 25 -12.919 2.203 -1.384 1.00 53.15 H new ATOM 0 HE2 PHE A 25 -9.449 4.591 -2.035 1.00 14.30 H new ATOM 0 HZ PHE A 25 -11.829 4.126 -2.466 1.00 72.13 H new ATOM 385 N VAL A 26 -7.976 -0.113 3.749 1.00 43.43 N ATOM 386 CA VAL A 26 -7.345 -1.189 4.501 1.00 52.44 C ATOM 387 C VAL A 26 -8.240 -1.659 5.643 1.00 4.12 C ATOM 388 O VAL A 26 -8.402 -2.857 5.868 1.00 73.50 O ATOM 389 CB VAL A 26 -5.985 -0.752 5.077 1.00 2.24 C ATOM 390 CG1 VAL A 26 -5.608 -1.614 6.272 1.00 63.20 C ATOM 391 CG2 VAL A 26 -4.909 -0.814 4.003 1.00 51.14 C ATOM 0 H VAL A 26 -7.541 0.801 3.876 1.00 43.43 H new ATOM 0 HA VAL A 26 -7.187 -2.011 3.803 1.00 52.44 H new ATOM 0 HB VAL A 26 -6.068 0.280 5.418 1.00 2.24 H new ATOM 0 HG11 VAL A 26 -4.644 -1.290 6.665 1.00 63.20 H new ATOM 0 HG12 VAL A 26 -6.368 -1.514 7.047 1.00 63.20 H new ATOM 0 HG13 VAL A 26 -5.541 -2.657 5.962 1.00 63.20 H new ATOM 0 HG21 VAL A 26 -3.954 -0.502 4.426 1.00 51.14 H new ATOM 0 HG22 VAL A 26 -4.825 -1.835 3.631 1.00 51.14 H new ATOM 0 HG23 VAL A 26 -5.176 -0.149 3.182 1.00 51.14 H new ATOM 401 N ASN A 27 -8.819 -0.704 6.364 1.00 61.12 N ATOM 402 CA ASN A 27 -9.700 -1.019 7.484 1.00 23.44 C ATOM 403 C ASN A 27 -10.865 -1.894 7.031 1.00 32.11 C ATOM 404 O ASN A 27 -11.472 -2.603 7.833 1.00 15.41 O ATOM 405 CB ASN A 27 -10.230 0.268 8.121 1.00 75.40 C ATOM 406 CG ASN A 27 -10.275 0.186 9.633 1.00 4.54 C ATOM 407 OD1 ASN A 27 -9.876 1.123 10.328 1.00 30.31 O ATOM 408 ND2 ASN A 27 -10.760 -0.933 10.153 1.00 71.54 N ATOM 0 H ASN A 27 -8.694 0.294 6.193 1.00 61.12 H new ATOM 0 HA ASN A 27 -9.122 -1.571 8.225 1.00 23.44 H new ATOM 0 HB2 ASN A 27 -9.598 1.105 7.824 1.00 75.40 H new ATOM 0 HB3 ASN A 27 -11.231 0.473 7.741 1.00 75.40 H new ATOM 0 HD21 ASN A 27 -10.814 -1.043 11.166 1.00 71.54 H new ATOM 0 HD22 ASN A 27 -11.079 -1.684 9.540 1.00 71.54 H new ATOM 415 N LYS A 28 -11.172 -1.837 5.740 1.00 73.10 N ATOM 416 CA LYS A 28 -12.263 -2.626 5.177 1.00 21.22 C ATOM 417 C LYS A 28 -11.776 -4.010 4.760 1.00 43.15 C ATOM 418 O LYS A 28 -12.537 -4.976 4.773 1.00 33.35 O ATOM 419 CB LYS A 28 -12.874 -1.904 3.975 1.00 21.24 C ATOM 420 CG LYS A 28 -13.957 -0.907 4.348 1.00 43.22 C ATOM 421 CD LYS A 28 -13.421 0.515 4.374 1.00 65.34 C ATOM 422 CE LYS A 28 -14.549 1.536 4.357 1.00 23.53 C ATOM 423 NZ LYS A 28 -14.528 2.405 5.565 1.00 71.52 N ATOM 0 H LYS A 28 -10.681 -1.253 5.063 1.00 73.10 H new ATOM 0 HA LYS A 28 -13.026 -2.746 5.947 1.00 21.22 H new ATOM 0 HB2 LYS A 28 -12.083 -1.383 3.435 1.00 21.24 H new ATOM 0 HB3 LYS A 28 -13.293 -2.644 3.292 1.00 21.24 H new ATOM 0 HG2 LYS A 28 -14.777 -0.975 3.633 1.00 43.22 H new ATOM 0 HG3 LYS A 28 -14.365 -1.161 5.326 1.00 43.22 H new ATOM 0 HD2 LYS A 28 -12.812 0.659 5.266 1.00 65.34 H new ATOM 0 HD3 LYS A 28 -12.770 0.676 3.514 1.00 65.34 H new ATOM 0 HE2 LYS A 28 -14.466 2.154 3.463 1.00 23.53 H new ATOM 0 HE3 LYS A 28 -15.507 1.018 4.298 1.00 23.53 H new ATOM 0 HZ1 LYS A 28 -14.753 3.383 5.293 1.00 71.52 H new ATOM 0 HZ2 LYS A 28 -15.233 2.065 6.249 1.00 71.52 H new ATOM 0 HZ3 LYS A 28 -13.583 2.375 5.998 1.00 71.52 H new ATOM 437 N GLY A 29 -10.501 -4.098 4.391 1.00 41.44 N ATOM 438 CA GLY A 29 -9.935 -5.367 3.977 1.00 22.02 C ATOM 439 C GLY A 29 -9.855 -6.365 5.115 1.00 71.41 C ATOM 440 O GLY A 29 -10.201 -7.536 4.950 1.00 22.22 O ATOM 0 H GLY A 29 -9.851 -3.312 4.372 1.00 41.44 H new ATOM 0 HA2 GLY A 29 -10.540 -5.786 3.172 1.00 22.02 H new ATOM 0 HA3 GLY A 29 -8.937 -5.201 3.572 1.00 22.02 H new ATOM 444 N LEU A 30 -9.394 -5.905 6.272 1.00 5.42 N ATOM 445 CA LEU A 30 -9.268 -6.765 7.443 1.00 13.23 C ATOM 446 C LEU A 30 -10.633 -7.267 7.901 1.00 61.42 C ATOM 447 O LEU A 30 -10.780 -8.422 8.297 1.00 32.53 O ATOM 448 CB LEU A 30 -8.579 -6.011 8.582 1.00 14.23 C ATOM 449 CG LEU A 30 -7.070 -5.807 8.438 1.00 62.05 C ATOM 450 CD1 LEU A 30 -6.568 -4.799 9.459 1.00 42.35 C ATOM 451 CD2 LEU A 30 -6.337 -7.132 8.588 1.00 32.23 C ATOM 0 H LEU A 30 -9.101 -4.940 6.425 1.00 5.42 H new ATOM 0 HA LEU A 30 -8.660 -7.627 7.166 1.00 13.23 H new ATOM 0 HB2 LEU A 30 -9.050 -5.033 8.680 1.00 14.23 H new ATOM 0 HB3 LEU A 30 -8.765 -6.549 9.512 1.00 14.23 H new ATOM 0 HG LEU A 30 -6.869 -5.414 7.441 1.00 62.05 H new ATOM 0 HD11 LEU A 30 -5.492 -4.667 9.341 1.00 42.35 H new ATOM 0 HD12 LEU A 30 -7.070 -3.844 9.305 1.00 42.35 H new ATOM 0 HD13 LEU A 30 -6.781 -5.162 10.464 1.00 42.35 H new ATOM 0 HD21 LEU A 30 -5.264 -6.968 8.483 1.00 32.23 H new ATOM 0 HD22 LEU A 30 -6.545 -7.554 9.571 1.00 32.23 H new ATOM 0 HD23 LEU A 30 -6.676 -7.824 7.817 1.00 32.23 H new ATOM 463 N ASN A 31 -11.629 -6.390 7.841 1.00 45.54 N ATOM 464 CA ASN A 31 -12.985 -6.744 8.249 1.00 51.41 C ATOM 465 C ASN A 31 -13.502 -7.933 7.443 1.00 2.53 C ATOM 466 O ASN A 31 -13.762 -9.004 7.992 1.00 3.22 O ATOM 467 CB ASN A 31 -13.922 -5.547 8.073 1.00 54.10 C ATOM 468 CG ASN A 31 -15.211 -5.704 8.856 1.00 10.05 C ATOM 469 OD1 ASN A 31 -15.222 -5.604 10.083 1.00 13.32 O ATOM 470 ND2 ASN A 31 -16.307 -5.950 8.148 1.00 35.40 N ATOM 0 H ASN A 31 -11.524 -5.430 7.514 1.00 45.54 H new ATOM 0 HA ASN A 31 -12.960 -7.025 9.302 1.00 51.41 H new ATOM 0 HB2 ASN A 31 -13.412 -4.639 8.395 1.00 54.10 H new ATOM 0 HB3 ASN A 31 -14.155 -5.423 7.015 1.00 54.10 H new ATOM 0 HD21 ASN A 31 -17.204 -6.064 8.620 1.00 35.40 H new ATOM 0 HD22 ASN A 31 -16.252 -6.025 7.132 1.00 35.40 H new ATOM 477 N THR A 32 -13.649 -7.735 6.137 1.00 13.24 N ATOM 478 CA THR A 32 -14.135 -8.789 5.255 1.00 3.33 C ATOM 479 C THR A 32 -13.494 -10.129 5.595 1.00 70.42 C ATOM 480 O THR A 32 -14.185 -11.092 5.928 1.00 74.55 O ATOM 481 CB THR A 32 -13.854 -8.458 3.776 1.00 13.04 C ATOM 482 OG1 THR A 32 -12.702 -7.613 3.674 1.00 13.23 O ATOM 483 CG2 THR A 32 -15.051 -7.772 3.139 1.00 22.24 C ATOM 0 H THR A 32 -13.439 -6.855 5.667 1.00 13.24 H new ATOM 0 HA THR A 32 -15.212 -8.856 5.406 1.00 3.33 H new ATOM 0 HB THR A 32 -13.667 -9.392 3.246 1.00 13.04 H new ATOM 0 HG1 THR A 32 -12.010 -7.927 4.293 1.00 13.23 H new ATOM 0 HG21 THR A 32 -14.829 -7.548 2.096 1.00 22.24 H new ATOM 0 HG22 THR A 32 -15.918 -8.430 3.193 1.00 22.24 H new ATOM 0 HG23 THR A 32 -15.265 -6.845 3.671 1.00 22.24 H new ATOM 491 N ASP A 33 -12.169 -10.186 5.509 1.00 22.10 N ATOM 492 CA ASP A 33 -11.435 -11.409 5.811 1.00 13.32 C ATOM 493 C ASP A 33 -11.989 -12.081 7.063 1.00 40.34 C ATOM 494 O ASP A 33 -12.134 -13.302 7.111 1.00 21.24 O ATOM 495 CB ASP A 33 -9.947 -11.104 5.995 1.00 72.13 C ATOM 496 CG ASP A 33 -9.089 -12.351 5.930 1.00 30.21 C ATOM 497 OD1 ASP A 33 -8.619 -12.692 4.824 1.00 21.33 O ATOM 498 OD2 ASP A 33 -8.884 -12.986 6.985 1.00 60.12 O ATOM 0 H ASP A 33 -11.582 -9.399 5.233 1.00 22.10 H new ATOM 0 HA ASP A 33 -11.556 -12.093 4.971 1.00 13.32 H new ATOM 0 HB2 ASP A 33 -9.624 -10.404 5.224 1.00 72.13 H new ATOM 0 HB3 ASP A 33 -9.796 -10.612 6.956 1.00 72.13 H new ATOM 504 N GLU A 34 -12.293 -11.275 8.075 1.00 14.41 N ATOM 505 CA GLU A 34 -12.829 -11.794 9.329 1.00 0.43 C ATOM 506 C GLU A 34 -14.213 -12.400 9.120 1.00 71.13 C ATOM 507 O GLU A 34 -14.536 -13.447 9.684 1.00 21.43 O ATOM 508 CB GLU A 34 -12.900 -10.680 10.377 1.00 11.13 C ATOM 509 CG GLU A 34 -14.319 -10.241 10.701 1.00 2.45 C ATOM 510 CD GLU A 34 -14.367 -9.169 11.773 1.00 22.33 C ATOM 511 OE1 GLU A 34 -15.000 -9.407 12.822 1.00 40.20 O ATOM 512 OE2 GLU A 34 -13.771 -8.091 11.561 1.00 60.25 O ATOM 0 H GLU A 34 -12.178 -10.262 8.052 1.00 14.41 H new ATOM 0 HA GLU A 34 -12.160 -12.577 9.685 1.00 0.43 H new ATOM 0 HB2 GLU A 34 -12.416 -11.022 11.292 1.00 11.13 H new ATOM 0 HB3 GLU A 34 -12.335 -9.819 10.020 1.00 11.13 H new ATOM 0 HG2 GLU A 34 -14.795 -9.865 9.795 1.00 2.45 H new ATOM 0 HG3 GLU A 34 -14.897 -11.105 11.030 1.00 2.45 H new ATOM 520 N LEU A 35 -15.026 -11.737 8.306 1.00 22.25 N ATOM 521 CA LEU A 35 -16.377 -12.210 8.021 1.00 32.01 C ATOM 522 C LEU A 35 -16.343 -13.465 7.155 1.00 45.12 C ATOM 523 O LEU A 35 -17.230 -14.313 7.238 1.00 1.13 O ATOM 524 CB LEU A 35 -17.186 -11.115 7.322 1.00 55.30 C ATOM 525 CG LEU A 35 -17.523 -9.887 8.168 1.00 63.24 C ATOM 526 CD1 LEU A 35 -18.285 -8.863 7.342 1.00 11.52 C ATOM 527 CD2 LEU A 35 -18.327 -10.289 9.395 1.00 40.42 C ATOM 0 H LEU A 35 -14.774 -10.870 7.831 1.00 22.25 H new ATOM 0 HA LEU A 35 -16.856 -12.458 8.968 1.00 32.01 H new ATOM 0 HB2 LEU A 35 -16.631 -10.785 6.444 1.00 55.30 H new ATOM 0 HB3 LEU A 35 -18.118 -11.552 6.964 1.00 55.30 H new ATOM 0 HG LEU A 35 -16.590 -9.433 8.502 1.00 63.24 H new ATOM 0 HD11 LEU A 35 -18.516 -7.996 7.961 1.00 11.52 H new ATOM 0 HD12 LEU A 35 -17.674 -8.552 6.495 1.00 11.52 H new ATOM 0 HD13 LEU A 35 -19.212 -9.306 6.978 1.00 11.52 H new ATOM 0 HD21 LEU A 35 -18.558 -9.402 9.985 1.00 40.42 H new ATOM 0 HD22 LEU A 35 -19.255 -10.768 9.081 1.00 40.42 H new ATOM 0 HD23 LEU A 35 -17.745 -10.986 9.999 1.00 40.42 H new ATOM 539 N GLY A 36 -15.310 -13.577 6.325 1.00 25.32 N ATOM 540 CA GLY A 36 -15.180 -14.732 5.456 1.00 12.11 C ATOM 541 C GLY A 36 -15.217 -14.361 3.987 1.00 45.41 C ATOM 542 O GLY A 36 -15.265 -15.234 3.121 1.00 42.31 O ATOM 0 H GLY A 36 -14.562 -12.889 6.239 1.00 25.32 H new ATOM 0 HA2 GLY A 36 -14.243 -15.243 5.675 1.00 12.11 H new ATOM 0 HA3 GLY A 36 -15.984 -15.436 5.670 1.00 12.11 H new ATOM 546 N GLN A 37 -15.199 -13.062 3.706 1.00 20.02 N ATOM 547 CA GLN A 37 -15.234 -12.578 2.331 1.00 41.53 C ATOM 548 C GLN A 37 -13.826 -12.471 1.755 1.00 62.12 C ATOM 549 O GLN A 37 -13.255 -11.383 1.681 1.00 2.12 O ATOM 550 CB GLN A 37 -15.930 -11.216 2.265 1.00 0.11 C ATOM 551 CG GLN A 37 -17.137 -11.105 3.183 1.00 33.13 C ATOM 552 CD GLN A 37 -18.417 -10.802 2.428 1.00 32.42 C ATOM 553 OE1 GLN A 37 -18.484 -9.845 1.655 1.00 52.41 O ATOM 554 NE2 GLN A 37 -19.441 -11.618 2.648 1.00 45.31 N ATOM 0 H GLN A 37 -15.160 -12.326 4.412 1.00 20.02 H new ATOM 0 HA GLN A 37 -15.797 -13.296 1.734 1.00 41.53 H new ATOM 0 HB2 GLN A 37 -15.213 -10.438 2.526 1.00 0.11 H new ATOM 0 HB3 GLN A 37 -16.246 -11.028 1.239 1.00 0.11 H new ATOM 0 HG2 GLN A 37 -17.257 -12.038 3.734 1.00 33.13 H new ATOM 0 HG3 GLN A 37 -16.959 -10.321 3.918 1.00 33.13 H new ATOM 0 HE21 GLN A 37 -19.341 -12.399 3.297 1.00 45.31 H new ATOM 0 HE22 GLN A 37 -20.328 -11.464 2.168 1.00 45.31 H new ATOM 563 N LYS A 38 -13.272 -13.607 1.349 1.00 33.13 N ATOM 564 CA LYS A 38 -11.930 -13.643 0.777 1.00 43.15 C ATOM 565 C LYS A 38 -11.843 -12.759 -0.462 1.00 2.53 C ATOM 566 O LYS A 38 -10.833 -12.093 -0.691 1.00 41.53 O ATOM 567 CB LYS A 38 -11.544 -15.080 0.421 1.00 55.31 C ATOM 568 CG LYS A 38 -11.246 -15.949 1.632 1.00 24.44 C ATOM 569 CD LYS A 38 -12.410 -15.959 2.608 1.00 53.41 C ATOM 570 CE LYS A 38 -12.162 -16.923 3.758 1.00 52.03 C ATOM 571 NZ LYS A 38 -13.328 -17.821 3.991 1.00 3.14 N ATOM 0 H LYS A 38 -13.731 -14.516 1.405 1.00 33.13 H new ATOM 0 HA LYS A 38 -11.233 -13.261 1.523 1.00 43.15 H new ATOM 0 HB2 LYS A 38 -12.354 -15.534 -0.151 1.00 55.31 H new ATOM 0 HB3 LYS A 38 -10.668 -15.062 -0.227 1.00 55.31 H new ATOM 0 HG2 LYS A 38 -11.033 -16.967 1.307 1.00 24.44 H new ATOM 0 HG3 LYS A 38 -10.351 -15.581 2.134 1.00 24.44 H new ATOM 0 HD2 LYS A 38 -12.566 -14.954 3.001 1.00 53.41 H new ATOM 0 HD3 LYS A 38 -13.323 -16.242 2.085 1.00 53.41 H new ATOM 0 HE2 LYS A 38 -11.278 -17.524 3.544 1.00 52.03 H new ATOM 0 HE3 LYS A 38 -11.951 -16.358 4.666 1.00 52.03 H new ATOM 0 HZ1 LYS A 38 -13.119 -18.463 4.782 1.00 3.14 H new ATOM 0 HZ2 LYS A 38 -14.166 -17.249 4.220 1.00 3.14 H new ATOM 0 HZ3 LYS A 38 -13.514 -18.379 3.133 1.00 3.14 H new ATOM 585 N GLU A 39 -12.907 -12.758 -1.259 1.00 2.21 N ATOM 586 CA GLU A 39 -12.949 -11.954 -2.475 1.00 70.43 C ATOM 587 C GLU A 39 -12.819 -10.469 -2.151 1.00 4.13 C ATOM 588 O GLU A 39 -11.860 -9.815 -2.563 1.00 43.12 O ATOM 589 CB GLU A 39 -14.253 -12.208 -3.236 1.00 14.23 C ATOM 590 CG GLU A 39 -14.789 -13.620 -3.070 1.00 52.32 C ATOM 591 CD GLU A 39 -15.787 -13.996 -4.147 1.00 44.34 C ATOM 592 OE1 GLU A 39 -16.978 -14.184 -3.813 1.00 1.55 O ATOM 593 OE2 GLU A 39 -15.381 -14.103 -5.322 1.00 74.23 O ATOM 0 H GLU A 39 -13.751 -13.304 -1.085 1.00 2.21 H new ATOM 0 HA GLU A 39 -12.107 -12.247 -3.102 1.00 70.43 H new ATOM 0 HB2 GLU A 39 -15.007 -11.499 -2.894 1.00 14.23 H new ATOM 0 HB3 GLU A 39 -14.089 -12.013 -4.296 1.00 14.23 H new ATOM 0 HG2 GLU A 39 -13.958 -14.325 -3.089 1.00 52.32 H new ATOM 0 HG3 GLU A 39 -15.263 -13.712 -2.093 1.00 52.32 H new ATOM 601 N GLU A 40 -13.790 -9.943 -1.411 1.00 52.41 N ATOM 602 CA GLU A 40 -13.784 -8.534 -1.033 1.00 71.04 C ATOM 603 C GLU A 40 -12.463 -8.155 -0.370 1.00 51.30 C ATOM 604 O GLU A 40 -11.892 -7.103 -0.656 1.00 33.20 O ATOM 605 CB GLU A 40 -14.947 -8.233 -0.085 1.00 42.32 C ATOM 606 CG GLU A 40 -16.129 -7.565 -0.767 1.00 62.33 C ATOM 607 CD GLU A 40 -16.910 -8.519 -1.650 1.00 62.05 C ATOM 608 OE1 GLU A 40 -17.986 -8.981 -1.215 1.00 23.42 O ATOM 609 OE2 GLU A 40 -16.445 -8.804 -2.773 1.00 24.20 O ATOM 0 H GLU A 40 -14.590 -10.470 -1.062 1.00 52.41 H new ATOM 0 HA GLU A 40 -13.900 -7.940 -1.940 1.00 71.04 H new ATOM 0 HB2 GLU A 40 -15.281 -9.164 0.374 1.00 42.32 H new ATOM 0 HB3 GLU A 40 -14.592 -7.590 0.720 1.00 42.32 H new ATOM 0 HG2 GLU A 40 -16.794 -7.151 -0.009 1.00 62.33 H new ATOM 0 HG3 GLU A 40 -15.772 -6.729 -1.369 1.00 62.33 H new ATOM 617 N ALA A 41 -11.983 -9.020 0.519 1.00 5.52 N ATOM 618 CA ALA A 41 -10.730 -8.777 1.223 1.00 34.25 C ATOM 619 C ALA A 41 -9.593 -8.513 0.241 1.00 0.42 C ATOM 620 O ALA A 41 -8.929 -7.477 0.308 1.00 71.44 O ATOM 621 CB ALA A 41 -10.392 -9.956 2.121 1.00 10.30 C ATOM 0 H ALA A 41 -12.444 -9.895 0.768 1.00 5.52 H new ATOM 0 HA ALA A 41 -10.855 -7.889 1.842 1.00 34.25 H new ATOM 0 HB1 ALA A 41 -9.454 -9.761 2.640 1.00 10.30 H new ATOM 0 HB2 ALA A 41 -11.189 -10.097 2.851 1.00 10.30 H new ATOM 0 HB3 ALA A 41 -10.291 -10.857 1.516 1.00 10.30 H new ATOM 627 N LYS A 42 -9.371 -9.455 -0.667 1.00 64.41 N ATOM 628 CA LYS A 42 -8.315 -9.326 -1.663 1.00 22.25 C ATOM 629 C LYS A 42 -8.437 -8.005 -2.419 1.00 53.43 C ATOM 630 O LYS A 42 -7.451 -7.294 -2.607 1.00 61.41 O ATOM 631 CB LYS A 42 -8.367 -10.495 -2.649 1.00 74.55 C ATOM 632 CG LYS A 42 -7.274 -11.526 -2.429 1.00 63.14 C ATOM 633 CD LYS A 42 -7.519 -12.783 -3.249 1.00 4.24 C ATOM 634 CE LYS A 42 -8.611 -13.644 -2.634 1.00 73.35 C ATOM 635 NZ LYS A 42 -9.654 -14.011 -3.631 1.00 43.42 N ATOM 0 H LYS A 42 -9.910 -10.319 -0.734 1.00 64.41 H new ATOM 0 HA LYS A 42 -7.358 -9.340 -1.142 1.00 22.25 H new ATOM 0 HB2 LYS A 42 -9.338 -10.984 -2.568 1.00 74.55 H new ATOM 0 HB3 LYS A 42 -8.289 -10.106 -3.664 1.00 74.55 H new ATOM 0 HG2 LYS A 42 -6.309 -11.097 -2.698 1.00 63.14 H new ATOM 0 HG3 LYS A 42 -7.224 -11.785 -1.371 1.00 63.14 H new ATOM 0 HD2 LYS A 42 -7.801 -12.507 -4.265 1.00 4.24 H new ATOM 0 HD3 LYS A 42 -6.596 -13.359 -3.319 1.00 4.24 H new ATOM 0 HE2 LYS A 42 -8.169 -14.550 -2.220 1.00 73.35 H new ATOM 0 HE3 LYS A 42 -9.073 -13.108 -1.805 1.00 73.35 H new ATOM 0 HZ1 LYS A 42 -10.381 -14.598 -3.173 1.00 43.42 H new ATOM 0 HZ2 LYS A 42 -10.093 -13.147 -4.008 1.00 43.42 H new ATOM 0 HZ3 LYS A 42 -9.218 -14.545 -4.409 1.00 43.42 H new ATOM 649 N ASN A 43 -9.654 -7.685 -2.848 1.00 52.32 N ATOM 650 CA ASN A 43 -9.905 -6.450 -3.580 1.00 24.13 C ATOM 651 C ASN A 43 -9.534 -5.233 -2.738 1.00 3.40 C ATOM 652 O ASN A 43 -8.736 -4.393 -3.159 1.00 44.33 O ATOM 653 CB ASN A 43 -11.375 -6.368 -3.995 1.00 21.55 C ATOM 654 CG ASN A 43 -11.829 -4.941 -4.236 1.00 71.43 C ATOM 655 OD1 ASN A 43 -11.996 -4.515 -5.380 1.00 32.11 O ATOM 656 ND2 ASN A 43 -12.032 -4.195 -3.157 1.00 43.13 N ATOM 0 H ASN A 43 -10.481 -8.264 -2.701 1.00 52.32 H new ATOM 0 HA ASN A 43 -9.282 -6.454 -4.474 1.00 24.13 H new ATOM 0 HB2 ASN A 43 -11.527 -6.953 -4.902 1.00 21.55 H new ATOM 0 HB3 ASN A 43 -11.994 -6.817 -3.219 1.00 21.55 H new ATOM 0 HD21 ASN A 43 -12.339 -3.227 -3.256 1.00 43.13 H new ATOM 0 HD22 ASN A 43 -11.881 -4.589 -2.229 1.00 43.13 H new ATOM 663 N TYR A 44 -10.117 -5.143 -1.549 1.00 44.03 N ATOM 664 CA TYR A 44 -9.850 -4.029 -0.648 1.00 3.04 C ATOM 665 C TYR A 44 -8.350 -3.783 -0.515 1.00 41.34 C ATOM 666 O TYR A 44 -7.881 -2.651 -0.636 1.00 51.32 O ATOM 667 CB TYR A 44 -10.458 -4.301 0.730 1.00 32.44 C ATOM 668 CG TYR A 44 -11.873 -3.790 0.879 1.00 1.24 C ATOM 669 CD1 TYR A 44 -12.172 -2.447 0.675 1.00 75.12 C ATOM 670 CD2 TYR A 44 -12.910 -4.647 1.224 1.00 53.21 C ATOM 671 CE1 TYR A 44 -13.464 -1.976 0.810 1.00 11.13 C ATOM 672 CE2 TYR A 44 -14.204 -4.184 1.361 1.00 55.22 C ATOM 673 CZ TYR A 44 -14.476 -2.848 1.154 1.00 32.20 C ATOM 674 OH TYR A 44 -15.764 -2.382 1.290 1.00 23.13 O ATOM 0 H TYR A 44 -10.779 -5.829 -1.186 1.00 44.03 H new ATOM 0 HA TYR A 44 -10.310 -3.136 -1.070 1.00 3.04 H new ATOM 0 HB2 TYR A 44 -10.447 -5.375 0.917 1.00 32.44 H new ATOM 0 HB3 TYR A 44 -9.831 -3.838 1.492 1.00 32.44 H new ATOM 0 HD1 TYR A 44 -11.382 -1.761 0.407 1.00 75.12 H new ATOM 0 HD2 TYR A 44 -12.701 -5.694 1.388 1.00 53.21 H new ATOM 0 HE1 TYR A 44 -13.680 -0.931 0.647 1.00 11.13 H new ATOM 0 HE2 TYR A 44 -14.999 -4.865 1.629 1.00 55.22 H new ATOM 0 HH TYR A 44 -16.356 -3.124 1.534 1.00 23.13 H new ATOM 684 N TYR A 45 -7.602 -4.852 -0.265 1.00 22.24 N ATOM 685 CA TYR A 45 -6.156 -4.755 -0.114 1.00 32.15 C ATOM 686 C TYR A 45 -5.502 -4.292 -1.412 1.00 4.14 C ATOM 687 O TYR A 45 -4.580 -3.476 -1.400 1.00 34.43 O ATOM 688 CB TYR A 45 -5.573 -6.105 0.310 1.00 65.45 C ATOM 689 CG TYR A 45 -5.903 -6.484 1.736 1.00 75.42 C ATOM 690 CD1 TYR A 45 -5.743 -5.574 2.773 1.00 4.23 C ATOM 691 CD2 TYR A 45 -6.373 -7.755 2.046 1.00 15.44 C ATOM 692 CE1 TYR A 45 -6.042 -5.917 4.077 1.00 3.43 C ATOM 693 CE2 TYR A 45 -6.674 -8.106 3.348 1.00 20.32 C ATOM 694 CZ TYR A 45 -6.507 -7.183 4.360 1.00 60.33 C ATOM 695 OH TYR A 45 -6.806 -7.530 5.658 1.00 23.22 O ATOM 0 H TYR A 45 -7.974 -5.796 -0.163 1.00 22.24 H new ATOM 0 HA TYR A 45 -5.947 -4.017 0.661 1.00 32.15 H new ATOM 0 HB2 TYR A 45 -5.947 -6.880 -0.359 1.00 65.45 H new ATOM 0 HB3 TYR A 45 -4.490 -6.077 0.191 1.00 65.45 H new ATOM 0 HD1 TYR A 45 -5.378 -4.581 2.556 1.00 4.23 H new ATOM 0 HD2 TYR A 45 -6.505 -8.480 1.256 1.00 15.44 H new ATOM 0 HE1 TYR A 45 -5.912 -5.197 4.871 1.00 3.43 H new ATOM 0 HE2 TYR A 45 -7.038 -9.098 3.572 1.00 20.32 H new ATOM 0 HH TYR A 45 -7.122 -8.457 5.684 1.00 23.22 H new ATOM 705 N LYS A 46 -5.987 -4.818 -2.531 1.00 15.15 N ATOM 706 CA LYS A 46 -5.454 -4.459 -3.840 1.00 14.10 C ATOM 707 C LYS A 46 -5.702 -2.985 -4.143 1.00 35.44 C ATOM 708 O LYS A 46 -5.104 -2.422 -5.060 1.00 24.03 O ATOM 709 CB LYS A 46 -6.088 -5.329 -4.929 1.00 40.43 C ATOM 710 CG LYS A 46 -5.386 -6.661 -5.129 1.00 23.41 C ATOM 711 CD LYS A 46 -6.052 -7.485 -6.217 1.00 61.53 C ATOM 712 CE LYS A 46 -6.479 -8.851 -5.701 1.00 21.13 C ATOM 713 NZ LYS A 46 -6.669 -9.828 -6.809 1.00 23.24 N ATOM 0 H LYS A 46 -6.749 -5.495 -2.558 1.00 15.15 H new ATOM 0 HA LYS A 46 -4.378 -4.633 -3.826 1.00 14.10 H new ATOM 0 HB2 LYS A 46 -7.132 -5.513 -4.674 1.00 40.43 H new ATOM 0 HB3 LYS A 46 -6.082 -4.780 -5.870 1.00 40.43 H new ATOM 0 HG2 LYS A 46 -4.342 -6.487 -5.391 1.00 23.41 H new ATOM 0 HG3 LYS A 46 -5.391 -7.220 -4.193 1.00 23.41 H new ATOM 0 HD2 LYS A 46 -6.922 -6.951 -6.598 1.00 61.53 H new ATOM 0 HD3 LYS A 46 -5.364 -7.610 -7.053 1.00 61.53 H new ATOM 0 HE2 LYS A 46 -5.727 -9.229 -5.009 1.00 21.13 H new ATOM 0 HE3 LYS A 46 -7.408 -8.753 -5.140 1.00 21.13 H new ATOM 0 HZ1 LYS A 46 -6.960 -10.746 -6.416 1.00 23.24 H new ATOM 0 HZ2 LYS A 46 -7.405 -9.480 -7.456 1.00 23.24 H new ATOM 0 HZ3 LYS A 46 -5.776 -9.941 -7.329 1.00 23.24 H new ATOM 727 N GLN A 47 -6.585 -2.367 -3.368 1.00 41.43 N ATOM 728 CA GLN A 47 -6.912 -0.957 -3.554 1.00 14.34 C ATOM 729 C GLN A 47 -6.035 -0.075 -2.671 1.00 10.02 C ATOM 730 O GLN A 47 -5.494 0.932 -3.125 1.00 13.43 O ATOM 731 CB GLN A 47 -8.387 -0.708 -3.241 1.00 2.31 C ATOM 732 CG GLN A 47 -9.330 -1.185 -4.332 1.00 73.43 C ATOM 733 CD GLN A 47 -10.679 -0.495 -4.281 1.00 24.12 C ATOM 734 OE1 GLN A 47 -10.766 0.702 -4.005 1.00 73.53 O ATOM 735 NE2 GLN A 47 -11.740 -1.247 -4.551 1.00 32.41 N ATOM 0 H GLN A 47 -7.088 -2.819 -2.605 1.00 41.43 H new ATOM 0 HA GLN A 47 -6.722 -0.700 -4.596 1.00 14.34 H new ATOM 0 HB2 GLN A 47 -8.641 -1.210 -2.308 1.00 2.31 H new ATOM 0 HB3 GLN A 47 -8.541 0.359 -3.081 1.00 2.31 H new ATOM 0 HG2 GLN A 47 -8.872 -1.008 -5.305 1.00 73.43 H new ATOM 0 HG3 GLN A 47 -9.473 -2.261 -4.238 1.00 73.43 H new ATOM 0 HE21 GLN A 47 -11.621 -2.235 -4.775 1.00 32.41 H new ATOM 0 HE22 GLN A 47 -12.674 -0.836 -4.535 1.00 32.41 H new ATOM 744 N GLY A 48 -5.899 -0.461 -1.406 1.00 61.11 N ATOM 745 CA GLY A 48 -5.088 0.307 -0.479 1.00 72.33 C ATOM 746 C GLY A 48 -3.616 0.288 -0.844 1.00 61.04 C ATOM 747 O GLY A 48 -2.940 1.314 -0.773 1.00 72.41 O ATOM 0 H GLY A 48 -6.336 -1.292 -1.007 1.00 61.11 H new ATOM 0 HA2 GLY A 48 -5.441 1.338 -0.460 1.00 72.33 H new ATOM 0 HA3 GLY A 48 -5.215 -0.092 0.527 1.00 72.33 H new ATOM 751 N ILE A 49 -3.120 -0.882 -1.231 1.00 21.12 N ATOM 752 CA ILE A 49 -1.719 -1.030 -1.607 1.00 43.33 C ATOM 753 C ILE A 49 -1.330 -0.022 -2.682 1.00 23.42 C ATOM 754 O ILE A 49 -0.296 0.639 -2.584 1.00 31.54 O ATOM 755 CB ILE A 49 -1.420 -2.450 -2.118 1.00 73.50 C ATOM 756 CG1 ILE A 49 -1.476 -3.454 -0.965 1.00 35.03 C ATOM 757 CG2 ILE A 49 -0.061 -2.494 -2.800 1.00 31.13 C ATOM 758 CD1 ILE A 49 -1.988 -4.817 -1.373 1.00 31.54 C ATOM 0 H ILE A 49 -3.667 -1.741 -1.293 1.00 21.12 H new ATOM 0 HA ILE A 49 -1.130 -0.845 -0.709 1.00 43.33 H new ATOM 0 HB ILE A 49 -2.180 -2.723 -2.850 1.00 73.50 H new ATOM 0 HG12 ILE A 49 -0.478 -3.562 -0.540 1.00 35.03 H new ATOM 0 HG13 ILE A 49 -2.116 -3.055 -0.178 1.00 35.03 H new ATOM 0 HG21 ILE A 49 0.135 -3.506 -3.156 1.00 31.13 H new ATOM 0 HG22 ILE A 49 -0.055 -1.805 -3.645 1.00 31.13 H new ATOM 0 HG23 ILE A 49 0.712 -2.203 -2.089 1.00 31.13 H new ATOM 0 HD11 ILE A 49 -2.000 -5.476 -0.505 1.00 31.54 H new ATOM 0 HD12 ILE A 49 -2.998 -4.722 -1.771 1.00 31.54 H new ATOM 0 HD13 ILE A 49 -1.335 -5.237 -2.138 1.00 31.54 H new ATOM 770 N GLY A 50 -2.165 0.094 -3.710 1.00 64.42 N ATOM 771 CA GLY A 50 -1.892 1.025 -4.789 1.00 40.41 C ATOM 772 C GLY A 50 -1.893 2.468 -4.323 1.00 31.30 C ATOM 773 O GLY A 50 -1.212 3.315 -4.902 1.00 34.13 O ATOM 0 H GLY A 50 -3.027 -0.441 -3.815 1.00 64.42 H new ATOM 0 HA2 GLY A 50 -0.924 0.790 -5.232 1.00 40.41 H new ATOM 0 HA3 GLY A 50 -2.640 0.899 -5.572 1.00 40.41 H new ATOM 777 N HIS A 51 -2.660 2.750 -3.274 1.00 31.35 N ATOM 778 CA HIS A 51 -2.748 4.101 -2.732 1.00 33.34 C ATOM 779 C HIS A 51 -1.527 4.422 -1.876 1.00 1.24 C ATOM 780 O HIS A 51 -1.014 5.542 -1.903 1.00 13.43 O ATOM 781 CB HIS A 51 -4.022 4.259 -1.904 1.00 43.42 C ATOM 782 CG HIS A 51 -5.176 4.815 -2.679 1.00 61.40 C ATOM 783 ND1 HIS A 51 -5.341 6.162 -2.922 1.00 52.23 N ATOM 784 CD2 HIS A 51 -6.225 4.197 -3.270 1.00 53.41 C ATOM 785 CE1 HIS A 51 -6.443 6.348 -3.626 1.00 24.23 C ATOM 786 NE2 HIS A 51 -6.998 5.171 -3.851 1.00 61.21 N ATOM 0 H HIS A 51 -3.229 2.061 -2.783 1.00 31.35 H new ATOM 0 HA HIS A 51 -2.779 4.800 -3.567 1.00 33.34 H new ATOM 0 HB2 HIS A 51 -4.303 3.288 -1.496 1.00 43.42 H new ATOM 0 HB3 HIS A 51 -3.816 4.913 -1.057 1.00 43.42 H new ATOM 0 HD2 HIS A 51 -6.418 3.134 -3.282 1.00 53.41 H new ATOM 0 HE1 HIS A 51 -6.825 7.301 -3.961 1.00 24.23 H new ATOM 0 HE2 HIS A 51 -7.861 5.012 -4.372 1.00 61.21 H new ATOM 795 N LEU A 52 -1.065 3.433 -1.118 1.00 4.25 N ATOM 796 CA LEU A 52 0.096 3.612 -0.252 1.00 21.55 C ATOM 797 C LEU A 52 1.306 4.084 -1.054 1.00 42.33 C ATOM 798 O LEU A 52 1.914 5.105 -0.734 1.00 12.24 O ATOM 799 CB LEU A 52 0.426 2.303 0.468 1.00 72.04 C ATOM 800 CG LEU A 52 -0.460 1.952 1.664 1.00 24.23 C ATOM 801 CD1 LEU A 52 -0.442 0.454 1.920 1.00 51.22 C ATOM 802 CD2 LEU A 52 -0.010 2.713 2.902 1.00 32.04 C ATOM 0 H LEU A 52 -1.476 2.500 -1.085 1.00 4.25 H new ATOM 0 HA LEU A 52 -0.147 4.375 0.487 1.00 21.55 H new ATOM 0 HB2 LEU A 52 0.365 1.489 -0.255 1.00 72.04 H new ATOM 0 HB3 LEU A 52 1.460 2.350 0.809 1.00 72.04 H new ATOM 0 HG LEU A 52 -1.484 2.247 1.433 1.00 24.23 H new ATOM 0 HD11 LEU A 52 -1.078 0.223 2.775 1.00 51.22 H new ATOM 0 HD12 LEU A 52 -0.813 -0.070 1.039 1.00 51.22 H new ATOM 0 HD13 LEU A 52 0.578 0.133 2.130 1.00 51.22 H new ATOM 0 HD21 LEU A 52 -0.652 2.451 3.743 1.00 32.04 H new ATOM 0 HD22 LEU A 52 1.021 2.449 3.136 1.00 32.04 H new ATOM 0 HD23 LEU A 52 -0.077 3.785 2.715 1.00 32.04 H new ATOM 814 N LEU A 53 1.646 3.335 -2.097 1.00 64.45 N ATOM 815 CA LEU A 53 2.781 3.678 -2.946 1.00 2.14 C ATOM 816 C LEU A 53 2.653 5.103 -3.475 1.00 14.45 C ATOM 817 O LEU A 53 3.582 5.903 -3.359 1.00 63.10 O ATOM 818 CB LEU A 53 2.884 2.695 -4.114 1.00 50.33 C ATOM 819 CG LEU A 53 2.940 1.213 -3.740 1.00 31.45 C ATOM 820 CD1 LEU A 53 3.170 0.359 -4.977 1.00 23.01 C ATOM 821 CD2 LEU A 53 4.028 0.964 -2.708 1.00 11.33 C ATOM 0 H LEU A 53 1.152 2.487 -2.375 1.00 64.45 H new ATOM 0 HA LEU A 53 3.687 3.614 -2.344 1.00 2.14 H new ATOM 0 HB2 LEU A 53 2.029 2.851 -4.771 1.00 50.33 H new ATOM 0 HB3 LEU A 53 3.777 2.938 -4.690 1.00 50.33 H new ATOM 0 HG LEU A 53 1.982 0.932 -3.303 1.00 31.45 H new ATOM 0 HD11 LEU A 53 3.207 -0.692 -4.692 1.00 23.01 H new ATOM 0 HD12 LEU A 53 2.355 0.515 -5.683 1.00 23.01 H new ATOM 0 HD13 LEU A 53 4.114 0.642 -5.444 1.00 23.01 H new ATOM 0 HD21 LEU A 53 4.053 -0.096 -2.454 1.00 11.33 H new ATOM 0 HD22 LEU A 53 4.993 1.262 -3.118 1.00 11.33 H new ATOM 0 HD23 LEU A 53 3.819 1.547 -1.811 1.00 11.33 H new ATOM 833 N ARG A 54 1.499 5.412 -4.055 1.00 24.52 N ATOM 834 CA ARG A 54 1.251 6.741 -4.602 1.00 30.14 C ATOM 835 C ARG A 54 1.624 7.823 -3.593 1.00 0.02 C ATOM 836 O ARG A 54 1.867 8.972 -3.960 1.00 32.10 O ATOM 837 CB ARG A 54 -0.219 6.886 -4.999 1.00 74.22 C ATOM 838 CG ARG A 54 -0.553 8.232 -5.623 1.00 14.53 C ATOM 839 CD ARG A 54 -1.893 8.197 -6.340 1.00 74.41 C ATOM 840 NE ARG A 54 -1.760 8.503 -7.763 1.00 43.35 N ATOM 841 CZ ARG A 54 -2.686 8.209 -8.667 1.00 74.35 C ATOM 842 NH1 ARG A 54 -3.808 7.602 -8.300 1.00 0.21 N ATOM 843 NH2 ARG A 54 -2.494 8.520 -9.941 1.00 75.51 N ATOM 0 H ARG A 54 0.721 4.761 -4.159 1.00 24.52 H new ATOM 0 HA ARG A 54 1.874 6.863 -5.488 1.00 30.14 H new ATOM 0 HB2 ARG A 54 -0.476 6.095 -5.704 1.00 74.22 H new ATOM 0 HB3 ARG A 54 -0.841 6.740 -4.116 1.00 74.22 H new ATOM 0 HG2 ARG A 54 -0.574 8.998 -4.848 1.00 14.53 H new ATOM 0 HG3 ARG A 54 0.230 8.512 -6.327 1.00 14.53 H new ATOM 0 HD2 ARG A 54 -2.342 7.211 -6.222 1.00 74.41 H new ATOM 0 HD3 ARG A 54 -2.571 8.914 -5.877 1.00 74.41 H new ATOM 0 HE ARG A 54 -0.909 8.968 -8.079 1.00 43.35 H new ATOM 0 HH11 ARG A 54 -3.960 7.360 -7.321 1.00 0.21 H new ATOM 0 HH12 ARG A 54 -4.518 7.377 -8.997 1.00 0.21 H new ATOM 0 HH21 ARG A 54 -1.633 8.986 -10.228 1.00 75.51 H new ATOM 0 HH22 ARG A 54 -3.207 8.293 -10.634 1.00 75.51 H new ATOM 857 N GLY A 55 1.669 7.446 -2.318 1.00 24.42 N ATOM 858 CA GLY A 55 2.014 8.395 -1.275 1.00 22.54 C ATOM 859 C GLY A 55 3.491 8.374 -0.938 1.00 62.20 C ATOM 860 O GLY A 55 4.058 9.394 -0.542 1.00 41.13 O ATOM 0 H GLY A 55 1.473 6.501 -1.989 1.00 24.42 H new ATOM 0 HA2 GLY A 55 1.731 9.398 -1.593 1.00 22.54 H new ATOM 0 HA3 GLY A 55 1.437 8.170 -0.378 1.00 22.54 H new ATOM 864 N ILE A 56 4.115 7.213 -1.093 1.00 0.14 N ATOM 865 CA ILE A 56 5.536 7.065 -0.800 1.00 62.21 C ATOM 866 C ILE A 56 6.386 7.408 -2.019 1.00 54.52 C ATOM 867 O ILE A 56 7.600 7.580 -1.912 1.00 53.42 O ATOM 868 CB ILE A 56 5.869 5.633 -0.342 1.00 13.12 C ATOM 869 CG1 ILE A 56 4.838 5.146 0.678 1.00 24.32 C ATOM 870 CG2 ILE A 56 7.271 5.579 0.247 1.00 50.51 C ATOM 871 CD1 ILE A 56 4.795 3.641 0.824 1.00 31.33 C ATOM 0 H ILE A 56 3.660 6.360 -1.420 1.00 0.14 H new ATOM 0 HA ILE A 56 5.767 7.759 0.008 1.00 62.21 H new ATOM 0 HB ILE A 56 5.833 4.973 -1.209 1.00 13.12 H new ATOM 0 HG12 ILE A 56 5.061 5.591 1.648 1.00 24.32 H new ATOM 0 HG13 ILE A 56 3.851 5.502 0.383 1.00 24.32 H new ATOM 0 HG21 ILE A 56 7.492 4.561 0.566 1.00 50.51 H new ATOM 0 HG22 ILE A 56 7.995 5.888 -0.507 1.00 50.51 H new ATOM 0 HG23 ILE A 56 7.332 6.249 1.104 1.00 50.51 H new ATOM 0 HD11 ILE A 56 4.042 3.369 1.563 1.00 31.33 H new ATOM 0 HD12 ILE A 56 4.542 3.189 -0.135 1.00 31.33 H new ATOM 0 HD13 ILE A 56 5.770 3.279 1.149 1.00 31.33 H new ATOM 883 N SER A 57 5.740 7.507 -3.177 1.00 55.33 N ATOM 884 CA SER A 57 6.437 7.828 -4.416 1.00 14.51 C ATOM 885 C SER A 57 6.191 9.279 -4.817 1.00 74.11 C ATOM 886 O SER A 57 5.915 9.573 -5.981 1.00 4.12 O ATOM 887 CB SER A 57 5.984 6.892 -5.537 1.00 13.02 C ATOM 888 OG SER A 57 6.401 5.560 -5.291 1.00 54.20 O ATOM 0 H SER A 57 4.735 7.369 -3.282 1.00 55.33 H new ATOM 0 HA SER A 57 7.506 7.692 -4.249 1.00 14.51 H new ATOM 0 HB2 SER A 57 4.898 6.926 -5.626 1.00 13.02 H new ATOM 0 HB3 SER A 57 6.393 7.234 -6.488 1.00 13.02 H new ATOM 0 HG SER A 57 6.097 4.982 -6.022 1.00 54.20 H new ATOM 894 N ILE A 58 6.293 10.180 -3.846 1.00 64.13 N ATOM 895 CA ILE A 58 6.082 11.601 -4.098 1.00 60.42 C ATOM 896 C ILE A 58 7.408 12.350 -4.157 1.00 31.51 C ATOM 897 O ILE A 58 8.058 12.401 -5.202 1.00 64.22 O ATOM 898 CB ILE A 58 5.192 12.239 -3.016 1.00 40.33 C ATOM 899 CG1 ILE A 58 3.749 11.751 -3.157 1.00 23.14 C ATOM 900 CG2 ILE A 58 5.256 13.756 -3.103 1.00 41.41 C ATOM 901 CD1 ILE A 58 3.013 12.373 -4.323 1.00 24.24 C ATOM 0 H ILE A 58 6.520 9.952 -2.878 1.00 64.13 H new ATOM 0 HA ILE A 58 5.579 11.680 -5.062 1.00 60.42 H new ATOM 0 HB ILE A 58 5.563 11.936 -2.037 1.00 40.33 H new ATOM 0 HG12 ILE A 58 3.750 10.667 -3.275 1.00 23.14 H new ATOM 0 HG13 ILE A 58 3.208 11.971 -2.237 1.00 23.14 H new ATOM 0 HG21 ILE A 58 4.621 14.192 -2.331 1.00 41.41 H new ATOM 0 HG22 ILE A 58 6.284 14.086 -2.956 1.00 41.41 H new ATOM 0 HG23 ILE A 58 4.908 14.079 -4.084 1.00 41.41 H new ATOM 0 HD11 ILE A 58 1.997 11.981 -4.362 1.00 24.24 H new ATOM 0 HD12 ILE A 58 2.980 13.455 -4.197 1.00 24.24 H new ATOM 0 HD13 ILE A 58 3.531 12.131 -5.251 1.00 24.24 H new ATOM 1060 N TRP A 70 4.869 19.990 6.247 1.00 13.42 N ATOM 1061 CA TRP A 70 5.696 18.847 5.873 1.00 64.31 C ATOM 1062 C TRP A 70 5.866 17.890 7.047 1.00 41.40 C ATOM 1063 O TRP A 70 6.095 16.696 6.859 1.00 33.35 O ATOM 1064 CB TRP A 70 7.065 19.320 5.381 1.00 51.42 C ATOM 1065 CG TRP A 70 7.120 19.546 3.901 1.00 45.51 C ATOM 1066 CD1 TRP A 70 7.405 20.718 3.261 1.00 74.42 C ATOM 1067 CD2 TRP A 70 6.880 18.575 2.876 1.00 11.42 C ATOM 1068 NE1 TRP A 70 7.357 20.534 1.900 1.00 44.40 N ATOM 1069 CE2 TRP A 70 7.039 19.228 1.639 1.00 65.21 C ATOM 1070 CE3 TRP A 70 6.550 17.217 2.884 1.00 2.43 C ATOM 1071 CZ2 TRP A 70 6.876 18.567 0.424 1.00 23.15 C ATOM 1072 CZ3 TRP A 70 6.389 16.564 1.677 1.00 35.13 C ATOM 1073 CH2 TRP A 70 6.552 17.239 0.461 1.00 33.42 C ATOM 0 HA TRP A 70 5.192 18.315 5.066 1.00 64.31 H new ATOM 0 HB2 TRP A 70 7.326 20.246 5.892 1.00 51.42 H new ATOM 0 HB3 TRP A 70 7.817 18.581 5.656 1.00 51.42 H new ATOM 0 HD1 TRP A 70 7.634 21.652 3.752 1.00 74.42 H new ATOM 0 HE1 TRP A 70 7.530 21.254 1.198 1.00 44.40 H new ATOM 0 HE3 TRP A 70 6.423 16.688 3.817 1.00 2.43 H new ATOM 0 HZ2 TRP A 70 7.001 19.085 -0.515 1.00 23.15 H new ATOM 0 HZ3 TRP A 70 6.133 15.515 1.671 1.00 35.13 H new ATOM 0 HH2 TRP A 70 6.419 16.700 -0.466 1.00 33.42 H new ATOM 1084 N GLU A 71 5.750 18.423 8.261 1.00 21.55 N ATOM 1085 CA GLU A 71 5.893 17.614 9.466 1.00 4.42 C ATOM 1086 C GLU A 71 4.879 16.475 9.479 1.00 60.13 C ATOM 1087 O GLU A 71 5.236 15.313 9.669 1.00 33.42 O ATOM 1088 CB GLU A 71 5.716 18.483 10.714 1.00 34.23 C ATOM 1089 CG GLU A 71 6.259 17.846 11.981 1.00 14.23 C ATOM 1090 CD GLU A 71 5.228 17.781 13.090 1.00 73.01 C ATOM 1091 OE1 GLU A 71 5.088 18.779 13.827 1.00 51.33 O ATOM 1092 OE2 GLU A 71 4.561 16.735 13.221 1.00 72.43 O ATOM 0 H GLU A 71 5.558 19.410 8.435 1.00 21.55 H new ATOM 0 HA GLU A 71 6.895 17.186 9.469 1.00 4.42 H new ATOM 0 HB2 GLU A 71 6.216 19.439 10.555 1.00 34.23 H new ATOM 0 HB3 GLU A 71 4.656 18.697 10.850 1.00 34.23 H new ATOM 0 HG2 GLU A 71 6.608 16.838 11.755 1.00 14.23 H new ATOM 0 HG3 GLU A 71 7.123 18.413 12.327 1.00 14.23 H new ATOM 1100 N SER A 72 3.609 16.817 9.277 1.00 54.21 N ATOM 1101 CA SER A 72 2.541 15.824 9.270 1.00 51.52 C ATOM 1102 C SER A 72 2.651 14.917 8.050 1.00 14.22 C ATOM 1103 O SER A 72 2.479 13.702 8.148 1.00 44.22 O ATOM 1104 CB SER A 72 1.176 16.513 9.287 1.00 14.10 C ATOM 1105 OG SER A 72 0.244 15.779 10.062 1.00 23.10 O ATOM 0 H SER A 72 3.296 17.774 9.116 1.00 54.21 H new ATOM 0 HA SER A 72 2.642 15.211 10.166 1.00 51.52 H new ATOM 0 HB2 SER A 72 1.278 17.520 9.693 1.00 14.10 H new ATOM 0 HB3 SER A 72 0.805 16.616 8.267 1.00 14.10 H new ATOM 0 HG SER A 72 -0.620 16.241 10.059 1.00 23.10 H new ATOM 1111 N ALA A 73 2.943 15.515 6.899 1.00 51.23 N ATOM 1112 CA ALA A 73 3.078 14.761 5.659 1.00 21.42 C ATOM 1113 C ALA A 73 4.154 13.688 5.784 1.00 61.41 C ATOM 1114 O ALA A 73 4.009 12.587 5.253 1.00 51.11 O ATOM 1115 CB ALA A 73 3.398 15.699 4.505 1.00 24.34 C ATOM 0 H ALA A 73 3.091 16.519 6.800 1.00 51.23 H new ATOM 0 HA ALA A 73 2.128 14.265 5.458 1.00 21.42 H new ATOM 0 HB1 ALA A 73 3.496 15.123 3.585 1.00 24.34 H new ATOM 0 HB2 ALA A 73 2.594 16.427 4.394 1.00 24.34 H new ATOM 0 HB3 ALA A 73 4.333 16.220 4.708 1.00 24.34 H new ATOM 1121 N ARG A 74 5.233 14.017 6.487 1.00 41.41 N ATOM 1122 CA ARG A 74 6.334 13.081 6.679 1.00 40.04 C ATOM 1123 C ARG A 74 5.998 12.062 7.764 1.00 50.21 C ATOM 1124 O ARG A 74 6.366 10.891 7.665 1.00 3.22 O ATOM 1125 CB ARG A 74 7.612 13.834 7.050 1.00 33.34 C ATOM 1126 CG ARG A 74 8.829 13.401 6.247 1.00 60.20 C ATOM 1127 CD ARG A 74 10.042 13.198 7.141 1.00 61.12 C ATOM 1128 NE ARG A 74 9.804 12.186 8.166 1.00 73.43 N ATOM 1129 CZ ARG A 74 10.658 11.917 9.147 1.00 62.44 C ATOM 1130 NH1 ARG A 74 11.802 12.584 9.236 1.00 62.32 N ATOM 1131 NH2 ARG A 74 10.370 10.981 10.043 1.00 21.25 N ATOM 0 H ARG A 74 5.368 14.924 6.933 1.00 41.41 H new ATOM 0 HA ARG A 74 6.493 12.549 5.741 1.00 40.04 H new ATOM 0 HB2 ARG A 74 7.451 14.902 6.902 1.00 33.34 H new ATOM 0 HB3 ARG A 74 7.816 13.687 8.111 1.00 33.34 H new ATOM 0 HG2 ARG A 74 8.606 12.474 5.718 1.00 60.20 H new ATOM 0 HG3 ARG A 74 9.054 14.153 5.491 1.00 60.20 H new ATOM 0 HD2 ARG A 74 10.896 12.902 6.531 1.00 61.12 H new ATOM 0 HD3 ARG A 74 10.303 14.143 7.618 1.00 61.12 H new ATOM 0 HE ARG A 74 8.933 11.656 8.127 1.00 73.43 H new ATOM 0 HH11 ARG A 74 12.027 13.305 8.550 1.00 62.32 H new ATOM 0 HH12 ARG A 74 12.456 12.376 9.990 1.00 62.32 H new ATOM 0 HH21 ARG A 74 9.491 10.467 9.979 1.00 21.25 H new ATOM 0 HH22 ARG A 74 11.027 10.776 10.796 1.00 21.25 H new ATOM 1145 N GLN A 75 5.297 12.516 8.799 1.00 32.12 N ATOM 1146 CA GLN A 75 4.914 11.643 9.901 1.00 41.54 C ATOM 1147 C GLN A 75 3.945 10.564 9.431 1.00 62.23 C ATOM 1148 O GLN A 75 4.064 9.399 9.812 1.00 2.03 O ATOM 1149 CB GLN A 75 4.278 12.461 11.028 1.00 30.33 C ATOM 1150 CG GLN A 75 2.760 12.389 11.050 1.00 71.33 C ATOM 1151 CD GLN A 75 2.245 11.040 11.514 1.00 73.04 C ATOM 1152 OE1 GLN A 75 1.413 10.419 10.854 1.00 43.15 O ATOM 1153 NE2 GLN A 75 2.741 10.579 12.657 1.00 42.23 N ATOM 0 H GLN A 75 4.984 13.482 8.896 1.00 32.12 H new ATOM 0 HA GLN A 75 5.814 11.157 10.276 1.00 41.54 H new ATOM 0 HB2 GLN A 75 4.664 12.108 11.984 1.00 30.33 H new ATOM 0 HB3 GLN A 75 4.583 13.503 10.926 1.00 30.33 H new ATOM 0 HG2 GLN A 75 2.373 13.167 11.708 1.00 71.33 H new ATOM 0 HG3 GLN A 75 2.376 12.596 10.051 1.00 71.33 H new ATOM 0 HE21 GLN A 75 3.430 11.127 13.172 1.00 42.23 H new ATOM 0 HE22 GLN A 75 2.433 9.677 13.019 1.00 42.23 H new ATOM 1162 N MET A 76 2.985 10.959 8.601 1.00 34.40 N ATOM 1163 CA MET A 76 1.996 10.024 8.077 1.00 31.04 C ATOM 1164 C MET A 76 2.616 9.106 7.029 1.00 14.43 C ATOM 1165 O MET A 76 2.217 7.950 6.891 1.00 22.35 O ATOM 1166 CB MET A 76 0.814 10.785 7.470 1.00 12.32 C ATOM 1167 CG MET A 76 1.103 11.356 6.093 1.00 1.04 C ATOM 1168 SD MET A 76 -0.379 11.970 5.270 1.00 64.24 S ATOM 1169 CE MET A 76 -0.519 13.602 5.997 1.00 64.14 C ATOM 0 H MET A 76 2.871 11.919 8.277 1.00 34.40 H new ATOM 0 HA MET A 76 1.639 9.411 8.905 1.00 31.04 H new ATOM 0 HB2 MET A 76 -0.044 10.115 7.404 1.00 12.32 H new ATOM 0 HB3 MET A 76 0.533 11.598 8.140 1.00 12.32 H new ATOM 0 HG2 MET A 76 1.825 12.167 6.185 1.00 1.04 H new ATOM 0 HG3 MET A 76 1.565 10.586 5.475 1.00 1.04 H new ATOM 0 HE1 MET A 76 -1.539 13.757 6.349 1.00 64.14 H new ATOM 0 HE2 MET A 76 0.171 13.687 6.836 1.00 64.14 H new ATOM 0 HE3 MET A 76 -0.275 14.356 5.249 1.00 64.14 H new ATOM 1179 N GLN A 77 3.592 9.628 6.294 1.00 5.13 N ATOM 1180 CA GLN A 77 4.267 8.855 5.257 1.00 41.54 C ATOM 1181 C GLN A 77 4.978 7.647 5.857 1.00 42.13 C ATOM 1182 O GLN A 77 4.961 6.558 5.285 1.00 75.45 O ATOM 1183 CB GLN A 77 5.270 9.733 4.508 1.00 1.05 C ATOM 1184 CG GLN A 77 5.008 9.815 3.013 1.00 63.11 C ATOM 1185 CD GLN A 77 5.901 10.823 2.317 1.00 13.20 C ATOM 1186 OE1 GLN A 77 6.799 11.401 2.931 1.00 75.40 O ATOM 1187 NE2 GLN A 77 5.660 11.040 1.030 1.00 21.10 N ATOM 0 H GLN A 77 3.934 10.584 6.397 1.00 5.13 H new ATOM 0 HA GLN A 77 3.513 8.499 4.555 1.00 41.54 H new ATOM 0 HB2 GLN A 77 5.245 10.738 4.929 1.00 1.05 H new ATOM 0 HB3 GLN A 77 6.275 9.343 4.672 1.00 1.05 H new ATOM 0 HG2 GLN A 77 5.160 8.832 2.567 1.00 63.11 H new ATOM 0 HG3 GLN A 77 3.965 10.083 2.845 1.00 63.11 H new ATOM 0 HE21 GLN A 77 4.906 10.539 0.561 1.00 21.10 H new ATOM 0 HE22 GLN A 77 6.229 11.708 0.510 1.00 21.10 H new ATOM 1196 N GLN A 78 5.604 7.848 7.012 1.00 15.25 N ATOM 1197 CA GLN A 78 6.325 6.776 7.687 1.00 53.52 C ATOM 1198 C GLN A 78 5.367 5.673 8.130 1.00 40.42 C ATOM 1199 O GLN A 78 5.606 4.491 7.881 1.00 22.25 O ATOM 1200 CB GLN A 78 7.084 7.324 8.896 1.00 50.21 C ATOM 1201 CG GLN A 78 8.514 6.818 8.997 1.00 30.00 C ATOM 1202 CD GLN A 78 9.268 7.426 10.165 1.00 72.54 C ATOM 1203 OE1 GLN A 78 10.330 8.022 9.989 1.00 11.21 O ATOM 1204 NE2 GLN A 78 8.719 7.279 11.364 1.00 74.14 N ATOM 0 H GLN A 78 5.626 8.744 7.500 1.00 15.25 H new ATOM 0 HA GLN A 78 7.040 6.352 6.982 1.00 53.52 H new ATOM 0 HB2 GLN A 78 7.095 8.413 8.844 1.00 50.21 H new ATOM 0 HB3 GLN A 78 6.547 7.054 9.805 1.00 50.21 H new ATOM 0 HG2 GLN A 78 8.505 5.733 9.101 1.00 30.00 H new ATOM 0 HG3 GLN A 78 9.042 7.045 8.071 1.00 30.00 H new ATOM 0 HE21 GLN A 78 7.837 6.777 11.463 1.00 74.14 H new ATOM 0 HE22 GLN A 78 9.179 7.668 12.187 1.00 74.14 H new ATOM 1213 N LYS A 79 4.283 6.067 8.789 1.00 12.42 N ATOM 1214 CA LYS A 79 3.288 5.114 9.267 1.00 10.31 C ATOM 1215 C LYS A 79 2.809 4.214 8.133 1.00 32.12 C ATOM 1216 O LYS A 79 2.372 3.087 8.365 1.00 65.33 O ATOM 1217 CB LYS A 79 2.098 5.853 9.883 1.00 4.22 C ATOM 1218 CG LYS A 79 1.079 4.932 10.531 1.00 51.42 C ATOM 1219 CD LYS A 79 0.518 5.533 11.810 1.00 20.31 C ATOM 1220 CE LYS A 79 -0.640 6.476 11.520 1.00 35.42 C ATOM 1221 NZ LYS A 79 -1.563 6.594 12.682 1.00 62.33 N ATOM 0 H LYS A 79 4.071 7.041 9.005 1.00 12.42 H new ATOM 0 HA LYS A 79 3.755 4.491 10.030 1.00 10.31 H new ATOM 0 HB2 LYS A 79 2.465 6.557 10.630 1.00 4.22 H new ATOM 0 HB3 LYS A 79 1.604 6.439 9.108 1.00 4.22 H new ATOM 0 HG2 LYS A 79 0.266 4.738 9.832 1.00 51.42 H new ATOM 0 HG3 LYS A 79 1.544 3.972 10.753 1.00 51.42 H new ATOM 0 HD2 LYS A 79 0.182 4.735 12.472 1.00 20.31 H new ATOM 0 HD3 LYS A 79 1.306 6.073 12.336 1.00 20.31 H new ATOM 0 HE2 LYS A 79 -0.251 7.461 11.264 1.00 35.42 H new ATOM 0 HE3 LYS A 79 -1.193 6.116 10.652 1.00 35.42 H new ATOM 0 HZ1 LYS A 79 -2.338 7.245 12.445 1.00 62.33 H new ATOM 0 HZ2 LYS A 79 -1.955 5.658 12.911 1.00 62.33 H new ATOM 0 HZ3 LYS A 79 -1.042 6.961 13.504 1.00 62.33 H new ATOM 1235 N MET A 80 2.896 4.719 6.906 1.00 60.24 N ATOM 1236 CA MET A 80 2.474 3.957 5.736 1.00 43.54 C ATOM 1237 C MET A 80 3.515 2.906 5.365 1.00 10.33 C ATOM 1238 O MET A 80 3.213 1.715 5.293 1.00 40.13 O ATOM 1239 CB MET A 80 2.234 4.895 4.551 1.00 23.32 C ATOM 1240 CG MET A 80 0.807 5.413 4.464 1.00 74.12 C ATOM 1241 SD MET A 80 0.310 5.797 2.774 1.00 72.24 S ATOM 1242 CE MET A 80 1.249 7.293 2.477 1.00 44.41 C ATOM 0 H MET A 80 3.254 5.651 6.697 1.00 60.24 H new ATOM 0 HA MET A 80 1.543 3.447 5.982 1.00 43.54 H new ATOM 0 HB2 MET A 80 2.915 5.743 4.625 1.00 23.32 H new ATOM 0 HB3 MET A 80 2.478 4.370 3.627 1.00 23.32 H new ATOM 0 HG2 MET A 80 0.128 4.667 4.878 1.00 74.12 H new ATOM 0 HG3 MET A 80 0.711 6.308 5.079 1.00 74.12 H new ATOM 0 HE1 MET A 80 0.685 7.952 1.817 1.00 44.41 H new ATOM 0 HE2 MET A 80 1.434 7.800 3.424 1.00 44.41 H new ATOM 0 HE3 MET A 80 2.200 7.039 2.010 1.00 44.41 H new ATOM 1252 N LYS A 81 4.744 3.354 5.130 1.00 44.35 N ATOM 1253 CA LYS A 81 5.831 2.454 4.769 1.00 13.42 C ATOM 1254 C LYS A 81 5.765 1.166 5.584 1.00 51.20 C ATOM 1255 O LYS A 81 5.933 0.072 5.047 1.00 3.44 O ATOM 1256 CB LYS A 81 7.183 3.139 4.985 1.00 45.03 C ATOM 1257 CG LYS A 81 8.064 3.149 3.749 1.00 31.50 C ATOM 1258 CD LYS A 81 9.485 3.575 4.081 1.00 74.52 C ATOM 1259 CE LYS A 81 9.970 4.675 3.149 1.00 3.11 C ATOM 1260 NZ LYS A 81 11.451 4.668 3.005 1.00 0.42 N ATOM 0 H LYS A 81 5.011 4.337 5.183 1.00 44.35 H new ATOM 0 HA LYS A 81 5.724 2.201 3.714 1.00 13.42 H new ATOM 0 HB2 LYS A 81 7.013 4.166 5.308 1.00 45.03 H new ATOM 0 HB3 LYS A 81 7.712 2.634 5.794 1.00 45.03 H new ATOM 0 HG2 LYS A 81 8.076 2.155 3.302 1.00 31.50 H new ATOM 0 HG3 LYS A 81 7.644 3.828 3.007 1.00 31.50 H new ATOM 0 HD2 LYS A 81 9.529 3.925 5.112 1.00 74.52 H new ATOM 0 HD3 LYS A 81 10.150 2.715 4.007 1.00 74.52 H new ATOM 0 HE2 LYS A 81 9.509 4.550 2.169 1.00 3.11 H new ATOM 0 HE3 LYS A 81 9.647 5.643 3.531 1.00 3.11 H new ATOM 0 HZ1 LYS A 81 11.741 5.432 2.362 1.00 0.42 H new ATOM 0 HZ2 LYS A 81 11.891 4.813 3.936 1.00 0.42 H new ATOM 0 HZ3 LYS A 81 11.758 3.754 2.616 1.00 0.42 H new ATOM 1274 N GLU A 82 5.520 1.305 6.883 1.00 0.32 N ATOM 1275 CA GLU A 82 5.432 0.153 7.772 1.00 62.42 C ATOM 1276 C GLU A 82 4.151 -0.637 7.513 1.00 0.20 C ATOM 1277 O GLU A 82 4.156 -1.868 7.518 1.00 20.20 O ATOM 1278 CB GLU A 82 5.481 0.602 9.234 1.00 62.43 C ATOM 1279 CG GLU A 82 6.879 0.588 9.828 1.00 13.43 C ATOM 1280 CD GLU A 82 7.402 -0.817 10.056 1.00 62.11 C ATOM 1281 OE1 GLU A 82 6.591 -1.701 10.409 1.00 54.40 O ATOM 1282 OE2 GLU A 82 8.619 -1.034 9.882 1.00 42.44 O ATOM 0 H GLU A 82 5.379 2.204 7.343 1.00 0.32 H new ATOM 0 HA GLU A 82 6.285 -0.495 7.571 1.00 62.42 H new ATOM 0 HB2 GLU A 82 5.073 1.610 9.310 1.00 62.43 H new ATOM 0 HB3 GLU A 82 4.837 -0.048 9.827 1.00 62.43 H new ATOM 0 HG2 GLU A 82 7.558 1.121 9.162 1.00 13.43 H new ATOM 0 HG3 GLU A 82 6.873 1.127 10.775 1.00 13.43 H new ATOM 1290 N THR A 83 3.056 0.082 7.289 1.00 52.43 N ATOM 1291 CA THR A 83 1.768 -0.549 7.031 1.00 71.54 C ATOM 1292 C THR A 83 1.773 -1.282 5.694 1.00 13.23 C ATOM 1293 O THR A 83 0.974 -2.192 5.471 1.00 72.21 O ATOM 1294 CB THR A 83 0.626 0.483 7.034 1.00 64.33 C ATOM 1295 OG1 THR A 83 0.499 1.071 8.333 1.00 23.53 O ATOM 1296 CG2 THR A 83 -0.691 -0.166 6.635 1.00 63.10 C ATOM 0 H THR A 83 3.035 1.102 7.281 1.00 52.43 H new ATOM 0 HA THR A 83 1.601 -1.266 7.835 1.00 71.54 H new ATOM 0 HB THR A 83 0.866 1.259 6.307 1.00 64.33 H new ATOM 0 HG1 THR A 83 1.204 1.740 8.460 1.00 23.53 H new ATOM 0 HG21 THR A 83 -1.483 0.583 6.644 1.00 63.10 H new ATOM 0 HG22 THR A 83 -0.601 -0.586 5.633 1.00 63.10 H new ATOM 0 HG23 THR A 83 -0.934 -0.960 7.341 1.00 63.10 H new ATOM 1304 N LEU A 84 2.678 -0.880 4.808 1.00 65.51 N ATOM 1305 CA LEU A 84 2.787 -1.500 3.492 1.00 52.30 C ATOM 1306 C LEU A 84 3.282 -2.938 3.606 1.00 43.23 C ATOM 1307 O LEU A 84 2.524 -3.884 3.393 1.00 65.43 O ATOM 1308 CB LEU A 84 3.734 -0.691 2.604 1.00 22.43 C ATOM 1309 CG LEU A 84 4.130 -1.343 1.277 1.00 43.44 C ATOM 1310 CD1 LEU A 84 3.091 -1.047 0.207 1.00 34.41 C ATOM 1311 CD2 LEU A 84 5.505 -0.861 0.837 1.00 50.04 C ATOM 0 H LEU A 84 3.346 -0.128 4.977 1.00 65.51 H new ATOM 0 HA LEU A 84 1.795 -1.513 3.040 1.00 52.30 H new ATOM 0 HB2 LEU A 84 3.266 0.270 2.389 1.00 22.43 H new ATOM 0 HB3 LEU A 84 4.642 -0.484 3.170 1.00 22.43 H new ATOM 0 HG LEU A 84 4.174 -2.422 1.422 1.00 43.44 H new ATOM 0 HD11 LEU A 84 3.389 -1.518 -0.730 1.00 34.41 H new ATOM 0 HD12 LEU A 84 2.124 -1.441 0.520 1.00 34.41 H new ATOM 0 HD13 LEU A 84 3.014 0.031 0.063 1.00 34.41 H new ATOM 0 HD21 LEU A 84 5.771 -1.334 -0.108 1.00 50.04 H new ATOM 0 HD22 LEU A 84 5.487 0.221 0.709 1.00 50.04 H new ATOM 0 HD23 LEU A 84 6.243 -1.124 1.595 1.00 50.04 H new ATOM 1323 N GLN A 85 4.557 -3.095 3.947 1.00 62.12 N ATOM 1324 CA GLN A 85 5.151 -4.418 4.091 1.00 63.30 C ATOM 1325 C GLN A 85 4.211 -5.359 4.837 1.00 54.04 C ATOM 1326 O GLN A 85 4.176 -6.559 4.569 1.00 33.24 O ATOM 1327 CB GLN A 85 6.488 -4.322 4.830 1.00 64.43 C ATOM 1328 CG GLN A 85 6.531 -3.209 5.866 1.00 53.34 C ATOM 1329 CD GLN A 85 7.725 -3.324 6.794 1.00 55.23 C ATOM 1330 OE1 GLN A 85 8.761 -2.700 6.569 1.00 52.00 O ATOM 1331 NE2 GLN A 85 7.583 -4.123 7.845 1.00 4.13 N ATOM 0 H GLN A 85 5.198 -2.323 4.129 1.00 62.12 H new ATOM 0 HA GLN A 85 5.323 -4.822 3.093 1.00 63.30 H new ATOM 0 HB2 GLN A 85 6.691 -5.273 5.322 1.00 64.43 H new ATOM 0 HB3 GLN A 85 7.285 -4.162 4.104 1.00 64.43 H new ATOM 0 HG2 GLN A 85 6.562 -2.245 5.358 1.00 53.34 H new ATOM 0 HG3 GLN A 85 5.614 -3.230 6.455 1.00 53.34 H new ATOM 0 HE21 GLN A 85 6.705 -4.621 7.992 1.00 4.13 H new ATOM 0 HE22 GLN A 85 8.352 -4.239 8.505 1.00 4.13 H new ATOM 1340 N ASN A 86 3.449 -4.805 5.775 1.00 61.31 N ATOM 1341 CA ASN A 86 2.508 -5.596 6.559 1.00 10.20 C ATOM 1342 C ASN A 86 1.279 -5.961 5.730 1.00 12.24 C ATOM 1343 O ASN A 86 0.731 -7.055 5.861 1.00 34.24 O ATOM 1344 CB ASN A 86 2.083 -4.826 7.811 1.00 15.44 C ATOM 1345 CG ASN A 86 2.271 -5.636 9.079 1.00 13.52 C ATOM 1346 OD1 ASN A 86 2.565 -6.830 9.028 1.00 14.40 O ATOM 1347 ND2 ASN A 86 2.101 -4.987 10.225 1.00 54.44 N ATOM 0 H ASN A 86 3.465 -3.813 6.010 1.00 61.31 H new ATOM 0 HA ASN A 86 3.007 -6.517 6.859 1.00 10.20 H new ATOM 0 HB2 ASN A 86 2.662 -3.905 7.882 1.00 15.44 H new ATOM 0 HB3 ASN A 86 1.036 -4.538 7.719 1.00 15.44 H new ATOM 0 HD21 ASN A 86 2.214 -5.479 11.111 1.00 54.44 H new ATOM 0 HD22 ASN A 86 1.858 -3.996 10.219 1.00 54.44 H new ATOM 1354 N VAL A 87 0.852 -5.034 4.878 1.00 74.34 N ATOM 1355 CA VAL A 87 -0.310 -5.258 4.026 1.00 62.21 C ATOM 1356 C VAL A 87 0.005 -6.256 2.917 1.00 1.22 C ATOM 1357 O VAL A 87 -0.853 -7.040 2.512 1.00 30.21 O ATOM 1358 CB VAL A 87 -0.804 -3.943 3.396 1.00 32.43 C ATOM 1359 CG1 VAL A 87 -1.747 -4.228 2.236 1.00 64.12 C ATOM 1360 CG2 VAL A 87 -1.483 -3.073 4.442 1.00 11.30 C ATOM 0 H VAL A 87 1.293 -4.122 4.760 1.00 74.34 H new ATOM 0 HA VAL A 87 -1.096 -5.665 4.662 1.00 62.21 H new ATOM 0 HB VAL A 87 0.058 -3.400 3.009 1.00 32.43 H new ATOM 0 HG11 VAL A 87 -2.086 -3.287 1.803 1.00 64.12 H new ATOM 0 HG12 VAL A 87 -1.224 -4.809 1.476 1.00 64.12 H new ATOM 0 HG13 VAL A 87 -2.607 -4.792 2.596 1.00 64.12 H new ATOM 0 HG21 VAL A 87 -1.826 -2.148 3.979 1.00 11.30 H new ATOM 0 HG22 VAL A 87 -2.336 -3.607 4.861 1.00 11.30 H new ATOM 0 HG23 VAL A 87 -0.775 -2.840 5.237 1.00 11.30 H new ATOM 1370 N ARG A 88 1.241 -6.219 2.429 1.00 1.34 N ATOM 1371 CA ARG A 88 1.669 -7.118 1.365 1.00 51.20 C ATOM 1372 C ARG A 88 1.530 -8.575 1.796 1.00 52.41 C ATOM 1373 O ARG A 88 0.937 -9.391 1.088 1.00 43.21 O ATOM 1374 CB ARG A 88 3.120 -6.827 0.976 1.00 24.21 C ATOM 1375 CG ARG A 88 3.282 -5.578 0.122 1.00 42.33 C ATOM 1376 CD ARG A 88 4.736 -5.136 0.056 1.00 42.40 C ATOM 1377 NE ARG A 88 5.506 -5.930 -0.896 1.00 32.11 N ATOM 1378 CZ ARG A 88 6.833 -6.003 -0.887 1.00 74.24 C ATOM 1379 NH1 ARG A 88 7.531 -5.335 0.020 1.00 0.13 N ATOM 1380 NH2 ARG A 88 7.463 -6.748 -1.788 1.00 50.53 N ATOM 0 H ARG A 88 1.963 -5.576 2.754 1.00 1.34 H new ATOM 0 HA ARG A 88 1.027 -6.950 0.501 1.00 51.20 H new ATOM 0 HB2 ARG A 88 3.716 -6.717 1.882 1.00 24.21 H new ATOM 0 HB3 ARG A 88 3.521 -7.683 0.433 1.00 24.21 H new ATOM 0 HG2 ARG A 88 2.913 -5.774 -0.885 1.00 42.33 H new ATOM 0 HG3 ARG A 88 2.674 -4.773 0.533 1.00 42.33 H new ATOM 0 HD2 ARG A 88 4.783 -4.085 -0.227 1.00 42.40 H new ATOM 0 HD3 ARG A 88 5.186 -5.220 1.045 1.00 42.40 H new ATOM 0 HE ARG A 88 4.998 -6.457 -1.606 1.00 32.11 H new ATOM 0 HH11 ARG A 88 7.050 -4.763 0.714 1.00 0.13 H new ATOM 0 HH12 ARG A 88 8.549 -5.393 0.024 1.00 0.13 H new ATOM 0 HH21 ARG A 88 6.928 -7.264 -2.487 1.00 50.53 H new ATOM 0 HH22 ARG A 88 8.481 -6.804 -1.781 1.00 50.53 H new ATOM 1394 N THR A 89 2.081 -8.897 2.962 1.00 52.51 N ATOM 1395 CA THR A 89 2.020 -10.255 3.487 1.00 63.14 C ATOM 1396 C THR A 89 0.589 -10.646 3.835 1.00 52.24 C ATOM 1397 O THR A 89 0.285 -11.824 4.023 1.00 62.22 O ATOM 1398 CB THR A 89 2.902 -10.414 4.740 1.00 3.54 C ATOM 1399 OG1 THR A 89 4.235 -10.776 4.358 1.00 24.41 O ATOM 1400 CG2 THR A 89 2.332 -11.471 5.674 1.00 4.30 C ATOM 0 H THR A 89 2.575 -8.235 3.561 1.00 52.51 H new ATOM 0 HA THR A 89 2.394 -10.913 2.703 1.00 63.14 H new ATOM 0 HB THR A 89 2.921 -9.460 5.267 1.00 3.54 H new ATOM 0 HG1 THR A 89 4.790 -10.874 5.160 1.00 24.41 H new ATOM 0 HG21 THR A 89 2.972 -11.565 6.551 1.00 4.30 H new ATOM 0 HG22 THR A 89 1.330 -11.178 5.986 1.00 4.30 H new ATOM 0 HG23 THR A 89 2.285 -12.428 5.155 1.00 4.30 H new ATOM 1408 N ARG A 90 -0.288 -9.651 3.920 1.00 11.33 N ATOM 1409 CA ARG A 90 -1.688 -9.891 4.246 1.00 63.44 C ATOM 1410 C ARG A 90 -2.469 -10.324 3.009 1.00 20.44 C ATOM 1411 O ARG A 90 -3.288 -11.241 3.067 1.00 32.11 O ATOM 1412 CB ARG A 90 -2.318 -8.633 4.845 1.00 50.13 C ATOM 1413 CG ARG A 90 -2.209 -8.558 6.360 1.00 15.04 C ATOM 1414 CD ARG A 90 -0.937 -9.227 6.859 1.00 1.44 C ATOM 1415 NE ARG A 90 -0.461 -8.632 8.105 1.00 3.41 N ATOM 1416 CZ ARG A 90 -1.069 -8.790 9.276 1.00 73.20 C ATOM 1417 NH1 ARG A 90 -2.171 -9.522 9.360 1.00 53.03 N ATOM 1418 NH2 ARG A 90 -0.573 -8.216 10.365 1.00 40.44 N ATOM 0 H ARG A 90 -0.053 -8.670 3.767 1.00 11.33 H new ATOM 0 HA ARG A 90 -1.730 -10.695 4.981 1.00 63.44 H new ATOM 0 HB2 ARG A 90 -1.839 -7.755 4.411 1.00 50.13 H new ATOM 0 HB3 ARG A 90 -3.370 -8.594 4.563 1.00 50.13 H new ATOM 0 HG2 ARG A 90 -2.221 -7.515 6.676 1.00 15.04 H new ATOM 0 HG3 ARG A 90 -3.076 -9.038 6.813 1.00 15.04 H new ATOM 0 HD2 ARG A 90 -1.122 -10.290 7.012 1.00 1.44 H new ATOM 0 HD3 ARG A 90 -0.161 -9.145 6.098 1.00 1.44 H new ATOM 0 HE ARG A 90 0.385 -8.063 8.075 1.00 3.41 H new ATOM 0 HH11 ARG A 90 -2.554 -9.965 8.525 1.00 53.03 H new ATOM 0 HH12 ARG A 90 -2.636 -9.642 10.260 1.00 53.03 H new ATOM 0 HH21 ARG A 90 0.275 -7.653 10.303 1.00 40.44 H new ATOM 0 HH22 ARG A 90 -1.040 -8.338 11.263 1.00 40.44 H new ATOM 1432 N LEU A 91 -2.209 -9.657 1.889 1.00 41.55 N ATOM 1433 CA LEU A 91 -2.887 -9.972 0.636 1.00 60.05 C ATOM 1434 C LEU A 91 -2.205 -11.135 -0.076 1.00 15.53 C ATOM 1435 O LEU A 91 -2.830 -11.850 -0.857 1.00 23.33 O ATOM 1436 CB LEU A 91 -2.912 -8.744 -0.275 1.00 2.13 C ATOM 1437 CG LEU A 91 -3.216 -9.008 -1.750 1.00 31.21 C ATOM 1438 CD1 LEU A 91 -4.710 -9.206 -1.958 1.00 32.42 C ATOM 1439 CD2 LEU A 91 -2.702 -7.867 -2.615 1.00 54.42 C ATOM 0 H LEU A 91 -1.534 -8.895 1.823 1.00 41.55 H new ATOM 0 HA LEU A 91 -3.911 -10.265 0.869 1.00 60.05 H new ATOM 0 HB2 LEU A 91 -3.656 -8.047 0.109 1.00 2.13 H new ATOM 0 HB3 LEU A 91 -1.944 -8.247 -0.208 1.00 2.13 H new ATOM 0 HG LEU A 91 -2.703 -9.922 -2.049 1.00 31.21 H new ATOM 0 HD11 LEU A 91 -4.909 -9.393 -3.013 1.00 32.42 H new ATOM 0 HD12 LEU A 91 -5.050 -10.058 -1.368 1.00 32.42 H new ATOM 0 HD13 LEU A 91 -5.243 -8.310 -1.641 1.00 32.42 H new ATOM 0 HD21 LEU A 91 -2.928 -8.073 -3.661 1.00 54.42 H new ATOM 0 HD22 LEU A 91 -3.186 -6.937 -2.316 1.00 54.42 H new ATOM 0 HD23 LEU A 91 -1.624 -7.772 -2.489 1.00 54.42 H new ATOM 1451 N GLU A 92 -0.917 -11.319 0.203 1.00 0.15 N ATOM 1452 CA GLU A 92 -0.150 -12.395 -0.410 1.00 32.12 C ATOM 1453 C GLU A 92 -0.668 -13.758 0.040 1.00 1.10 C ATOM 1454 O GLU A 92 -0.825 -14.673 -0.768 1.00 65.31 O ATOM 1455 CB GLU A 92 1.334 -12.260 -0.059 1.00 53.31 C ATOM 1456 CG GLU A 92 1.695 -12.855 1.292 1.00 23.34 C ATOM 1457 CD GLU A 92 1.642 -14.370 1.296 1.00 12.33 C ATOM 1458 OE1 GLU A 92 1.597 -14.965 0.198 1.00 64.25 O ATOM 1459 OE2 GLU A 92 1.645 -14.962 2.396 1.00 21.45 O ATOM 0 H GLU A 92 -0.385 -10.736 0.849 1.00 0.15 H new ATOM 0 HA GLU A 92 -0.268 -12.319 -1.491 1.00 32.12 H new ATOM 0 HB2 GLU A 92 1.928 -12.748 -0.832 1.00 53.31 H new ATOM 0 HB3 GLU A 92 1.606 -11.205 -0.067 1.00 53.31 H new ATOM 0 HG2 GLU A 92 2.697 -12.530 1.572 1.00 23.34 H new ATOM 0 HG3 GLU A 92 1.012 -12.469 2.049 1.00 23.34 H new ATOM 1467 N ILE A 93 -0.930 -13.885 1.336 1.00 4.11 N ATOM 1468 CA ILE A 93 -1.432 -15.135 1.896 1.00 55.41 C ATOM 1469 C ILE A 93 -2.705 -15.582 1.187 1.00 43.24 C ATOM 1470 O ILE A 93 -2.928 -16.775 0.980 1.00 73.04 O ATOM 1471 CB ILE A 93 -1.714 -15.004 3.404 1.00 25.00 C ATOM 1472 CG1 ILE A 93 -0.402 -14.918 4.185 1.00 14.40 C ATOM 1473 CG2 ILE A 93 -2.552 -16.178 3.890 1.00 34.10 C ATOM 1474 CD1 ILE A 93 -0.596 -14.800 5.681 1.00 71.50 C ATOM 0 H ILE A 93 -0.803 -13.138 2.019 1.00 4.11 H new ATOM 0 HA ILE A 93 -0.654 -15.883 1.746 1.00 55.41 H new ATOM 0 HB ILE A 93 -2.277 -14.086 3.575 1.00 25.00 H new ATOM 0 HG12 ILE A 93 0.196 -15.804 3.973 1.00 14.40 H new ATOM 0 HG13 ILE A 93 0.166 -14.058 3.831 1.00 14.40 H new ATOM 0 HG21 ILE A 93 -2.743 -16.071 4.958 1.00 34.10 H new ATOM 0 HG22 ILE A 93 -3.500 -16.196 3.352 1.00 34.10 H new ATOM 0 HG23 ILE A 93 -2.014 -17.109 3.709 1.00 34.10 H new ATOM 0 HD11 ILE A 93 0.376 -14.744 6.171 1.00 71.50 H new ATOM 0 HD12 ILE A 93 -1.167 -13.899 5.904 1.00 71.50 H new ATOM 0 HD13 ILE A 93 -1.137 -15.672 6.048 1.00 71.50 H new ATOM 1486 N LEU A 94 -3.541 -14.616 0.817 1.00 13.12 N ATOM 1487 CA LEU A 94 -4.793 -14.910 0.130 1.00 42.41 C ATOM 1488 C LEU A 94 -4.534 -15.390 -1.294 1.00 12.02 C ATOM 1489 O LEU A 94 -4.981 -16.468 -1.687 1.00 1.55 O ATOM 1490 CB LEU A 94 -5.688 -13.668 0.107 1.00 12.14 C ATOM 1491 CG LEU A 94 -6.614 -13.485 1.309 1.00 54.24 C ATOM 1492 CD1 LEU A 94 -6.328 -12.165 2.007 1.00 41.12 C ATOM 1493 CD2 LEU A 94 -8.070 -13.558 0.876 1.00 64.21 C ATOM 0 H LEU A 94 -3.373 -13.623 0.982 1.00 13.12 H new ATOM 0 HA LEU A 94 -5.300 -15.707 0.675 1.00 42.41 H new ATOM 0 HB2 LEU A 94 -5.051 -12.787 0.027 1.00 12.14 H new ATOM 0 HB3 LEU A 94 -6.299 -13.702 -0.795 1.00 12.14 H new ATOM 0 HG LEU A 94 -6.425 -14.293 2.015 1.00 54.24 H new ATOM 0 HD11 LEU A 94 -6.997 -12.052 2.860 1.00 41.12 H new ATOM 0 HD12 LEU A 94 -5.294 -12.152 2.352 1.00 41.12 H new ATOM 0 HD13 LEU A 94 -6.488 -11.343 1.310 1.00 41.12 H new ATOM 0 HD21 LEU A 94 -8.715 -13.426 1.745 1.00 64.21 H new ATOM 0 HD22 LEU A 94 -8.273 -12.771 0.150 1.00 64.21 H new ATOM 0 HD23 LEU A 94 -8.267 -14.530 0.423 1.00 64.21 H new