USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 479 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 Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 CYS SG : rot -103:sc= 0.315! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -5.88! C(o=-5.9!,f=-10!) USER MOD Single : A 125 THR OG1 : rot -71:sc= 1.03 USER MOD Single : A 128 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-3.5!) USER MOD Single : A 138 MET CE :methyl 161:sc= -6.92! (180deg=-8.41!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 46:sc= -1.44! USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -2.44! C(o=-2.4!,f=-4.6!) USER MOD Single : A 145 ASN : amide:sc= -0.0679 X(o=-0.068,f=-0.55) USER MOD Single : A 156 LYS NZ :NH3+ -141:sc= -0.188 (180deg=-1.52!) USER MOD Single : A 157 MET CE :methyl -139:sc= -1.93 (180deg=-3.34!) USER MOD Single : A 158 MET CE :methyl -112:sc= -1.29 (180deg=-5.76!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 58.991 14.269 3.810 1.00 0.00 N ATOM 116 CA GLU A 96 57.817 14.019 4.696 1.00 0.00 C ATOM 117 C GLU A 96 56.585 13.702 3.845 1.00 0.00 C ATOM 118 O GLU A 96 55.818 12.811 4.153 1.00 0.00 O ATOM 119 CB GLU A 96 57.618 15.321 5.470 1.00 0.00 C ATOM 120 CG GLU A 96 56.615 15.092 6.602 1.00 0.00 C ATOM 121 CD GLU A 96 56.063 16.437 7.077 1.00 0.00 C ATOM 122 OE1 GLU A 96 56.861 17.301 7.403 1.00 0.00 O ATOM 123 OE2 GLU A 96 54.851 16.581 7.107 1.00 0.00 O ATOM 0 HA GLU A 96 57.971 13.173 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 96 58.569 15.664 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 96 57.256 16.102 4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 96 55.801 14.455 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 96 57.098 14.573 7.430 1.00 0.00 H new ATOM 130 N GLU A 97 56.395 14.421 2.775 1.00 0.00 N ATOM 131 CA GLU A 97 55.218 14.158 1.899 1.00 0.00 C ATOM 132 C GLU A 97 55.257 12.711 1.403 1.00 0.00 C ATOM 133 O GLU A 97 54.238 12.062 1.266 1.00 0.00 O ATOM 134 CB GLU A 97 55.368 15.134 0.733 1.00 0.00 C ATOM 135 CG GLU A 97 55.151 16.563 1.235 1.00 0.00 C ATOM 136 CD GLU A 97 53.691 16.738 1.660 1.00 0.00 C ATOM 137 OE1 GLU A 97 52.831 16.662 0.799 1.00 0.00 O ATOM 138 OE2 GLU A 97 53.460 16.946 2.840 1.00 0.00 O ATOM 0 H GLU A 97 57.004 15.180 2.468 1.00 0.00 H new ATOM 0 HA GLU A 97 54.269 14.294 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 97 56.359 15.039 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 97 54.646 14.898 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 97 55.813 16.769 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 97 55.401 17.277 0.451 1.00 0.00 H new ATOM 145 N LEU A 98 56.429 12.199 1.141 1.00 0.00 N ATOM 146 CA LEU A 98 56.543 10.796 0.663 1.00 0.00 C ATOM 147 C LEU A 98 56.550 9.849 1.870 1.00 0.00 C ATOM 148 O LEU A 98 55.869 8.843 1.889 1.00 0.00 O ATOM 149 CB LEU A 98 57.876 10.768 -0.110 1.00 0.00 C ATOM 150 CG LEU A 98 58.659 9.490 0.202 1.00 0.00 C ATOM 151 CD1 LEU A 98 57.902 8.280 -0.349 1.00 0.00 C ATOM 152 CD2 LEU A 98 60.042 9.568 -0.451 1.00 0.00 C ATOM 0 H LEU A 98 57.314 12.696 1.239 1.00 0.00 H new ATOM 0 HA LEU A 98 55.716 10.474 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 98 57.682 10.829 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.474 11.640 0.155 1.00 0.00 H new ATOM 0 HG LEU A 98 58.771 9.387 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 98 58.459 7.370 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 98 56.917 8.225 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 98 57.789 8.382 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 98 60.601 8.659 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 98 59.929 9.671 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 98 60.582 10.430 -0.059 1.00 0.00 H new ATOM 164 N ALA A 99 57.316 10.169 2.878 1.00 0.00 N ATOM 165 CA ALA A 99 57.368 9.296 4.086 1.00 0.00 C ATOM 166 C ALA A 99 55.951 8.931 4.532 1.00 0.00 C ATOM 167 O ALA A 99 55.703 7.845 5.016 1.00 0.00 O ATOM 168 CB ALA A 99 58.066 10.139 5.153 1.00 0.00 C ATOM 0 H ALA A 99 57.909 10.998 2.917 1.00 0.00 H new ATOM 0 HA ALA A 99 57.894 8.360 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 99 58.144 9.565 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 99 59.064 10.409 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 99 57.488 11.045 5.336 1.00 0.00 H new ATOM 174 N ASN A 100 55.019 9.830 4.373 1.00 0.00 N ATOM 175 CA ASN A 100 53.619 9.532 4.789 1.00 0.00 C ATOM 176 C ASN A 100 53.200 8.161 4.258 1.00 0.00 C ATOM 177 O ASN A 100 52.546 7.394 4.936 1.00 0.00 O ATOM 178 CB ASN A 100 52.773 10.634 4.151 1.00 0.00 C ATOM 179 CG ASN A 100 52.049 11.422 5.243 1.00 0.00 C ATOM 180 OD1 ASN A 100 52.642 12.250 5.906 1.00 0.00 O ATOM 181 ND2 ASN A 100 50.783 11.196 5.463 1.00 0.00 N ATOM 0 H ASN A 100 55.166 10.757 3.974 1.00 0.00 H new ATOM 0 HA ASN A 100 53.503 9.507 5.873 1.00 0.00 H new ATOM 0 HB2 ASN A 100 53.407 11.301 3.567 1.00 0.00 H new ATOM 0 HB3 ASN A 100 52.049 10.198 3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 100 50.291 11.714 6.191 1.00 0.00 H new ATOM 0 HD22 ASN A 100 50.285 10.501 4.907 1.00 0.00 H new ATOM 188 N CYS A 101 53.577 7.847 3.049 1.00 0.00 N ATOM 189 CA CYS A 101 53.207 6.524 2.473 1.00 0.00 C ATOM 190 C CYS A 101 53.659 5.401 3.409 1.00 0.00 C ATOM 191 O CYS A 101 53.152 4.297 3.360 1.00 0.00 O ATOM 192 CB CYS A 101 53.953 6.453 1.142 1.00 0.00 C ATOM 193 SG CYS A 101 52.939 5.577 -0.074 1.00 0.00 S ATOM 0 H CYS A 101 54.125 8.450 2.435 1.00 0.00 H new ATOM 0 HA CYS A 101 52.131 6.412 2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.179 7.458 0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 101 54.906 5.940 1.274 1.00 0.00 H new ATOM 0 HG CYS A 101 53.383 4.363 -0.216 1.00 0.00 H new ATOM 199 N PHE A 102 54.610 5.672 4.262 1.00 0.00 N ATOM 200 CA PHE A 102 55.089 4.620 5.201 1.00 0.00 C ATOM 201 C PHE A 102 53.907 4.029 5.971 1.00 0.00 C ATOM 202 O PHE A 102 53.582 2.867 5.832 1.00 0.00 O ATOM 203 CB PHE A 102 56.048 5.336 6.154 1.00 0.00 C ATOM 204 CG PHE A 102 56.407 4.408 7.288 1.00 0.00 C ATOM 205 CD1 PHE A 102 56.998 3.169 7.018 1.00 0.00 C ATOM 206 CD2 PHE A 102 56.146 4.784 8.610 1.00 0.00 C ATOM 207 CE1 PHE A 102 57.329 2.306 8.069 1.00 0.00 C ATOM 208 CE2 PHE A 102 56.476 3.922 9.663 1.00 0.00 C ATOM 209 CZ PHE A 102 57.067 2.683 9.392 1.00 0.00 C ATOM 0 H PHE A 102 55.075 6.576 4.348 1.00 0.00 H new ATOM 0 HA PHE A 102 55.578 3.796 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.948 5.643 5.621 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.584 6.242 6.543 1.00 0.00 H new ATOM 0 HD1 PHE A 102 57.199 2.878 5.998 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.689 5.740 8.819 1.00 0.00 H new ATOM 0 HE1 PHE A 102 57.786 1.350 7.860 1.00 0.00 H new ATOM 0 HE2 PHE A 102 56.275 4.213 10.683 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.321 2.017 10.203 1.00 0.00 H new ATOM 219 N ARG A 103 53.257 4.821 6.780 1.00 0.00 N ATOM 220 CA ARG A 103 52.094 4.299 7.550 1.00 0.00 C ATOM 221 C ARG A 103 51.120 3.596 6.603 1.00 0.00 C ATOM 222 O ARG A 103 50.562 2.566 6.925 1.00 0.00 O ATOM 223 CB ARG A 103 51.444 5.530 8.181 1.00 0.00 C ATOM 224 CG ARG A 103 52.197 5.904 9.459 1.00 0.00 C ATOM 225 CD ARG A 103 51.790 7.312 9.900 1.00 0.00 C ATOM 226 NE ARG A 103 52.600 7.580 11.122 1.00 0.00 N ATOM 227 CZ ARG A 103 52.159 8.408 12.028 1.00 0.00 C ATOM 228 NH1 ARG A 103 51.217 9.262 11.730 1.00 0.00 N ATOM 229 NH2 ARG A 103 52.657 8.384 13.233 1.00 0.00 N ATOM 0 H ARG A 103 53.481 5.803 6.940 1.00 0.00 H new ATOM 0 HA ARG A 103 52.388 3.571 8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 103 51.461 6.364 7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 103 50.398 5.326 8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 103 51.974 5.186 10.248 1.00 0.00 H new ATOM 0 HG3 ARG A 103 53.272 5.863 9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 103 51.996 8.045 9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 103 50.723 7.366 10.114 1.00 0.00 H new ATOM 0 HE ARG A 103 53.499 7.116 11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 103 50.826 9.282 10.788 1.00 0.00 H new ATOM 0 HH12 ARG A 103 50.873 9.909 12.439 1.00 0.00 H new ATOM 0 HH21 ARG A 103 53.392 7.717 13.468 1.00 0.00 H new ATOM 0 HH22 ARG A 103 52.311 9.032 13.941 1.00 0.00 H new ATOM 243 N ILE A 104 50.922 4.137 5.432 1.00 0.00 N ATOM 244 CA ILE A 104 49.995 3.489 4.463 1.00 0.00 C ATOM 245 C ILE A 104 50.467 2.058 4.191 1.00 0.00 C ATOM 246 O ILE A 104 49.705 1.115 4.282 1.00 0.00 O ATOM 247 CB ILE A 104 50.077 4.352 3.198 1.00 0.00 C ATOM 248 CG1 ILE A 104 49.134 5.550 3.344 1.00 0.00 C ATOM 249 CG2 ILE A 104 49.661 3.530 1.975 1.00 0.00 C ATOM 250 CD1 ILE A 104 49.757 6.579 4.287 1.00 0.00 C ATOM 0 H ILE A 104 51.361 4.998 5.105 1.00 0.00 H new ATOM 0 HA ILE A 104 48.971 3.423 4.829 1.00 0.00 H new ATOM 0 HB ILE A 104 51.102 4.698 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 104 48.948 6.001 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 104 48.170 5.222 3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 104 49.722 4.151 1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 104 50.327 2.674 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 104 48.637 3.179 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 104 49.085 7.431 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 104 49.920 6.125 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 104 50.710 6.916 3.880 1.00 0.00 H new ATOM 262 N PHE A 105 51.722 1.888 3.871 1.00 0.00 N ATOM 263 CA PHE A 105 52.240 0.514 3.610 1.00 0.00 C ATOM 264 C PHE A 105 52.062 -0.347 4.863 1.00 0.00 C ATOM 265 O PHE A 105 51.498 -1.422 4.816 1.00 0.00 O ATOM 266 CB PHE A 105 53.723 0.697 3.286 1.00 0.00 C ATOM 267 CG PHE A 105 53.885 1.019 1.818 1.00 0.00 C ATOM 268 CD1 PHE A 105 53.116 2.032 1.233 1.00 0.00 C ATOM 269 CD2 PHE A 105 54.806 0.304 1.041 1.00 0.00 C ATOM 270 CE1 PHE A 105 53.266 2.329 -0.127 1.00 0.00 C ATOM 271 CE2 PHE A 105 54.956 0.602 -0.319 1.00 0.00 C ATOM 272 CZ PHE A 105 54.185 1.616 -0.903 1.00 0.00 C ATOM 0 H PHE A 105 52.408 2.637 3.779 1.00 0.00 H new ATOM 0 HA PHE A 105 51.713 0.016 2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 105 54.142 1.499 3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 105 54.274 -0.210 3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 105 52.407 2.585 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 105 55.400 -0.477 1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 105 52.671 3.110 -0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 105 55.666 0.050 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 105 54.301 1.847 -1.952 1.00 0.00 H new ATOM 282 N ASP A 106 52.528 0.127 5.988 1.00 0.00 N ATOM 283 CA ASP A 106 52.373 -0.656 7.248 1.00 0.00 C ATOM 284 C ASP A 106 50.892 -0.718 7.630 1.00 0.00 C ATOM 285 O ASP A 106 50.396 0.110 8.367 1.00 0.00 O ATOM 286 CB ASP A 106 53.168 0.118 8.300 1.00 0.00 C ATOM 287 CG ASP A 106 53.418 -0.780 9.512 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.506 -1.493 9.897 1.00 0.00 O ATOM 289 OD2 ASP A 106 54.520 -0.741 10.036 1.00 0.00 O ATOM 0 H ASP A 106 53.008 1.021 6.089 1.00 0.00 H new ATOM 0 HA ASP A 106 52.729 -1.682 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 106 54.117 0.453 7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 106 52.620 1.010 8.602 1.00 0.00 H new ATOM 294 N LYS A 107 50.181 -1.687 7.121 1.00 0.00 N ATOM 295 CA LYS A 107 48.727 -1.793 7.440 1.00 0.00 C ATOM 296 C LYS A 107 48.507 -2.628 8.706 1.00 0.00 C ATOM 297 O LYS A 107 47.600 -2.376 9.473 1.00 0.00 O ATOM 298 CB LYS A 107 48.111 -2.486 6.224 1.00 0.00 C ATOM 299 CG LYS A 107 48.218 -1.567 5.005 1.00 0.00 C ATOM 300 CD LYS A 107 47.041 -1.830 4.065 1.00 0.00 C ATOM 301 CE LYS A 107 46.976 -0.727 3.005 1.00 0.00 C ATOM 302 NZ LYS A 107 47.831 -1.218 1.889 1.00 0.00 N ATOM 0 H LYS A 107 50.543 -2.410 6.499 1.00 0.00 H new ATOM 0 HA LYS A 107 48.277 -0.819 7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.625 -3.427 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.066 -2.728 6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 107 48.219 -0.524 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 107 49.159 -1.743 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 107 47.155 -2.803 3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 107 46.110 -1.860 4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 107 45.952 -0.558 2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 107 47.344 0.221 3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 47.838 -0.516 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 48.801 -1.364 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 47.452 -2.118 1.531 1.00 0.00 H new ATOM 316 N ASN A 108 49.324 -3.621 8.932 1.00 0.00 N ATOM 317 CA ASN A 108 49.149 -4.465 10.149 1.00 0.00 C ATOM 318 C ASN A 108 49.769 -3.775 11.368 1.00 0.00 C ATOM 319 O ASN A 108 49.810 -4.323 12.451 1.00 0.00 O ATOM 320 CB ASN A 108 49.885 -5.769 9.838 1.00 0.00 C ATOM 321 CG ASN A 108 51.389 -5.505 9.774 1.00 0.00 C ATOM 322 OD1 ASN A 108 52.003 -5.177 10.771 1.00 0.00 O ATOM 323 ND2 ASN A 108 52.016 -5.635 8.636 1.00 0.00 N ATOM 0 H ASN A 108 50.103 -3.884 8.328 1.00 0.00 H new ATOM 0 HA ASN A 108 48.098 -4.636 10.383 1.00 0.00 H new ATOM 0 HB2 ASN A 108 49.668 -6.513 10.605 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.536 -6.178 8.890 1.00 0.00 H new ATOM 0 HD21 ASN A 108 53.020 -5.461 8.584 1.00 0.00 H new ATOM 0 HD22 ASN A 108 51.502 -5.910 7.799 1.00 0.00 H new ATOM 330 N ALA A 109 50.251 -2.574 11.199 1.00 0.00 N ATOM 331 CA ALA A 109 50.866 -1.848 12.347 1.00 0.00 C ATOM 332 C ALA A 109 51.913 -2.726 13.036 1.00 0.00 C ATOM 333 O ALA A 109 51.636 -3.382 14.021 1.00 0.00 O ATOM 334 CB ALA A 109 49.705 -1.556 13.297 1.00 0.00 C ATOM 0 H ALA A 109 50.246 -2.064 10.316 1.00 0.00 H new ATOM 0 HA ALA A 109 51.377 -0.938 12.031 1.00 0.00 H new ATOM 0 HB1 ALA A 109 50.076 -1.021 14.171 1.00 0.00 H new ATOM 0 HB2 ALA A 109 48.962 -0.944 12.786 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.248 -2.494 13.612 1.00 0.00 H new ATOM 340 N ASP A 110 53.116 -2.742 12.529 1.00 0.00 N ATOM 341 CA ASP A 110 54.181 -3.576 13.161 1.00 0.00 C ATOM 342 C ASP A 110 55.426 -2.727 13.431 1.00 0.00 C ATOM 343 O ASP A 110 56.127 -2.928 14.403 1.00 0.00 O ATOM 344 CB ASP A 110 54.491 -4.671 12.138 1.00 0.00 C ATOM 345 CG ASP A 110 54.759 -4.036 10.773 1.00 0.00 C ATOM 346 OD1 ASP A 110 55.890 -3.648 10.535 1.00 0.00 O ATOM 347 OD2 ASP A 110 53.829 -3.949 9.989 1.00 0.00 O ATOM 0 H ASP A 110 53.408 -2.215 11.706 1.00 0.00 H new ATOM 0 HA ASP A 110 53.865 -3.992 14.118 1.00 0.00 H new ATOM 0 HB2 ASP A 110 55.359 -5.248 12.459 1.00 0.00 H new ATOM 0 HB3 ASP A 110 53.654 -5.366 12.069 1.00 0.00 H new ATOM 352 N GLY A 111 55.705 -1.779 12.579 1.00 0.00 N ATOM 353 CA GLY A 111 56.904 -0.917 12.786 1.00 0.00 C ATOM 354 C GLY A 111 57.869 -1.089 11.611 1.00 0.00 C ATOM 355 O GLY A 111 58.666 -0.220 11.319 1.00 0.00 O ATOM 0 H GLY A 111 55.154 -1.564 11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.603 0.127 12.873 1.00 0.00 H new ATOM 0 HA3 GLY A 111 57.400 -1.184 13.719 1.00 0.00 H new ATOM 359 N PHE A 112 57.805 -2.204 10.936 1.00 0.00 N ATOM 360 CA PHE A 112 58.722 -2.430 9.780 1.00 0.00 C ATOM 361 C PHE A 112 58.041 -3.312 8.730 1.00 0.00 C ATOM 362 O PHE A 112 57.556 -4.386 9.026 1.00 0.00 O ATOM 363 CB PHE A 112 59.936 -3.143 10.373 1.00 0.00 C ATOM 364 CG PHE A 112 60.497 -2.320 11.509 1.00 0.00 C ATOM 365 CD1 PHE A 112 61.453 -1.331 11.251 1.00 0.00 C ATOM 366 CD2 PHE A 112 60.062 -2.549 12.820 1.00 0.00 C ATOM 367 CE1 PHE A 112 61.975 -0.569 12.303 1.00 0.00 C ATOM 368 CE2 PHE A 112 60.584 -1.787 13.873 1.00 0.00 C ATOM 369 CZ PHE A 112 61.540 -0.797 13.615 1.00 0.00 C ATOM 0 H PHE A 112 57.159 -2.968 11.134 1.00 0.00 H new ATOM 0 HA PHE A 112 58.998 -1.500 9.283 1.00 0.00 H new ATOM 0 HB2 PHE A 112 59.651 -4.132 10.732 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.696 -3.289 9.606 1.00 0.00 H new ATOM 0 HD1 PHE A 112 61.788 -1.155 10.239 1.00 0.00 H new ATOM 0 HD2 PHE A 112 59.325 -3.313 13.019 1.00 0.00 H new ATOM 0 HE1 PHE A 112 62.713 0.194 12.103 1.00 0.00 H new ATOM 0 HE2 PHE A 112 60.249 -1.963 14.884 1.00 0.00 H new ATOM 0 HZ PHE A 112 61.942 -0.209 14.427 1.00 0.00 H new ATOM 379 N ILE A 113 58.002 -2.865 7.504 1.00 0.00 N ATOM 380 CA ILE A 113 57.353 -3.674 6.432 1.00 0.00 C ATOM 381 C ILE A 113 58.335 -4.715 5.886 1.00 0.00 C ATOM 382 O ILE A 113 59.438 -4.396 5.489 1.00 0.00 O ATOM 383 CB ILE A 113 56.980 -2.664 5.346 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.186 -1.515 5.973 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.123 -3.349 4.281 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.111 -0.347 4.987 1.00 0.00 C ATOM 0 H ILE A 113 58.392 -1.974 7.198 1.00 0.00 H new ATOM 0 HA ILE A 113 56.483 -4.221 6.796 1.00 0.00 H new ATOM 0 HB ILE A 113 57.888 -2.275 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.182 -1.851 6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 113 56.662 -1.193 6.899 1.00 0.00 H new ATOM 0 HG21 ILE A 113 55.858 -2.628 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 113 56.685 -4.170 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.215 -3.739 4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 113 55.546 0.471 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.119 -0.005 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 113 55.615 -0.674 4.073 1.00 0.00 H new ATOM 398 N ASP A 114 57.941 -5.958 5.865 1.00 0.00 N ATOM 399 CA ASP A 114 58.850 -7.021 5.348 1.00 0.00 C ATOM 400 C ASP A 114 58.402 -7.474 3.955 1.00 0.00 C ATOM 401 O ASP A 114 57.446 -6.966 3.403 1.00 0.00 O ATOM 402 CB ASP A 114 58.721 -8.168 6.350 1.00 0.00 C ATOM 403 CG ASP A 114 57.249 -8.559 6.491 1.00 0.00 C ATOM 404 OD1 ASP A 114 56.466 -8.162 5.644 1.00 0.00 O ATOM 405 OD2 ASP A 114 56.929 -9.250 7.444 1.00 0.00 O ATOM 0 H ASP A 114 57.029 -6.285 6.183 1.00 0.00 H new ATOM 0 HA ASP A 114 59.879 -6.673 5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 114 59.305 -9.025 6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 114 59.123 -7.867 7.318 1.00 0.00 H new ATOM 410 N ILE A 115 59.084 -8.430 3.383 1.00 0.00 N ATOM 411 CA ILE A 115 58.694 -8.918 2.029 1.00 0.00 C ATOM 412 C ILE A 115 57.233 -9.374 2.039 1.00 0.00 C ATOM 413 O ILE A 115 56.490 -9.132 1.107 1.00 0.00 O ATOM 414 CB ILE A 115 59.631 -10.096 1.749 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.594 -10.432 0.256 1.00 0.00 C ATOM 416 CG2 ILE A 115 59.182 -11.317 2.555 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.646 -9.599 -0.480 1.00 0.00 C ATOM 0 H ILE A 115 59.894 -8.894 3.795 1.00 0.00 H new ATOM 0 HA ILE A 115 58.779 -8.145 1.265 1.00 0.00 H new ATOM 0 HB ILE A 115 60.646 -9.825 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.786 -11.494 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.603 -10.227 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.852 -12.153 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 115 59.208 -11.080 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 115 58.166 -11.589 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.620 -9.838 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 115 60.433 -8.539 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.635 -9.826 -0.081 1.00 0.00 H new ATOM 429 N GLU A 116 56.816 -10.027 3.087 1.00 0.00 N ATOM 430 CA GLU A 116 55.403 -10.496 3.161 1.00 0.00 C ATOM 431 C GLU A 116 54.445 -9.313 3.003 1.00 0.00 C ATOM 432 O GLU A 116 53.617 -9.286 2.114 1.00 0.00 O ATOM 433 CB GLU A 116 55.265 -11.112 4.553 1.00 0.00 C ATOM 434 CG GLU A 116 55.229 -12.638 4.436 1.00 0.00 C ATOM 435 CD GLU A 116 53.899 -13.071 3.814 1.00 0.00 C ATOM 436 OE1 GLU A 116 52.890 -12.468 4.141 1.00 0.00 O ATOM 437 OE2 GLU A 116 53.913 -13.999 3.023 1.00 0.00 O ATOM 0 H GLU A 116 57.392 -10.257 3.897 1.00 0.00 H new ATOM 0 HA GLU A 116 55.162 -11.209 2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 116 56.100 -10.805 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 116 54.355 -10.752 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 116 56.060 -12.986 3.822 1.00 0.00 H new ATOM 0 HG3 GLU A 116 55.347 -13.092 5.420 1.00 0.00 H new ATOM 444 N GLU A 117 54.552 -8.334 3.860 1.00 0.00 N ATOM 445 CA GLU A 117 53.648 -7.151 3.761 1.00 0.00 C ATOM 446 C GLU A 117 53.570 -6.665 2.311 1.00 0.00 C ATOM 447 O GLU A 117 52.541 -6.210 1.854 1.00 0.00 O ATOM 448 CB GLU A 117 54.290 -6.088 4.654 1.00 0.00 C ATOM 449 CG GLU A 117 53.414 -5.862 5.888 1.00 0.00 C ATOM 450 CD GLU A 117 53.331 -4.365 6.190 1.00 0.00 C ATOM 451 OE1 GLU A 117 54.356 -3.787 6.512 1.00 0.00 O ATOM 452 OE2 GLU A 117 52.243 -3.821 6.094 1.00 0.00 O ATOM 0 H GLU A 117 55.226 -8.302 4.625 1.00 0.00 H new ATOM 0 HA GLU A 117 52.629 -7.381 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 117 55.288 -6.406 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 117 54.406 -5.156 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.416 -6.265 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.830 -6.394 6.744 1.00 0.00 H new ATOM 459 N LEU A 118 54.650 -6.761 1.584 1.00 0.00 N ATOM 460 CA LEU A 118 54.636 -6.305 0.163 1.00 0.00 C ATOM 461 C LEU A 118 53.796 -7.260 -0.691 1.00 0.00 C ATOM 462 O LEU A 118 52.917 -7.938 -0.198 1.00 0.00 O ATOM 463 CB LEU A 118 56.098 -6.333 -0.280 1.00 0.00 C ATOM 464 CG LEU A 118 56.500 -4.955 -0.807 1.00 0.00 C ATOM 465 CD1 LEU A 118 57.987 -4.962 -1.167 1.00 0.00 C ATOM 466 CD2 LEU A 118 55.678 -4.625 -2.055 1.00 0.00 C ATOM 0 H LEU A 118 55.541 -7.135 1.911 1.00 0.00 H new ATOM 0 HA LEU A 118 54.198 -5.313 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 118 56.737 -6.614 0.557 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.239 -7.086 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 118 56.313 -4.204 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 118 58.275 -3.980 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 118 58.575 -5.198 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 118 58.172 -5.713 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 118 55.965 -3.643 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 118 55.865 -5.376 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 118 54.618 -4.621 -1.802 1.00 0.00 H new ATOM 478 N GLY A 119 54.061 -7.318 -1.968 1.00 0.00 N ATOM 479 CA GLY A 119 53.277 -8.228 -2.850 1.00 0.00 C ATOM 480 C GLY A 119 51.841 -7.711 -2.965 1.00 0.00 C ATOM 481 O GLY A 119 51.480 -7.065 -3.929 1.00 0.00 O ATOM 0 H GLY A 119 54.786 -6.775 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.736 -8.281 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.280 -9.239 -2.443 1.00 0.00 H new ATOM 485 N GLU A 120 51.020 -7.989 -1.989 1.00 0.00 N ATOM 486 CA GLU A 120 49.608 -7.511 -2.043 1.00 0.00 C ATOM 487 C GLU A 120 49.563 -6.009 -2.341 1.00 0.00 C ATOM 488 O GLU A 120 48.926 -5.573 -3.279 1.00 0.00 O ATOM 489 CB GLU A 120 49.021 -7.809 -0.658 1.00 0.00 C ATOM 490 CG GLU A 120 50.015 -7.426 0.446 1.00 0.00 C ATOM 491 CD GLU A 120 49.478 -6.216 1.213 1.00 0.00 C ATOM 492 OE1 GLU A 120 48.891 -5.352 0.582 1.00 0.00 O ATOM 493 OE2 GLU A 120 49.660 -6.176 2.419 1.00 0.00 O ATOM 0 H GLU A 120 51.265 -8.526 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 120 49.041 -8.005 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.091 -7.256 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 120 48.776 -8.868 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 120 50.163 -8.265 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 120 50.987 -7.193 0.011 1.00 0.00 H new ATOM 500 N ILE A 121 50.234 -5.217 -1.553 1.00 0.00 N ATOM 501 CA ILE A 121 50.229 -3.746 -1.791 1.00 0.00 C ATOM 502 C ILE A 121 50.363 -3.446 -3.287 1.00 0.00 C ATOM 503 O ILE A 121 49.663 -2.613 -3.826 1.00 0.00 O ATOM 504 CB ILE A 121 51.446 -3.223 -1.028 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.136 -3.211 0.469 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.772 -1.804 -1.494 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.265 -2.501 1.218 1.00 0.00 C ATOM 0 H ILE A 121 50.787 -5.525 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 121 49.303 -3.277 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 121 52.302 -3.870 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.189 -2.703 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 121 51.027 -4.231 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.640 -1.432 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.990 -1.813 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.918 -1.153 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.044 -2.492 2.285 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.204 -3.028 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.353 -1.476 0.857 1.00 0.00 H new ATOM 519 N LEU A 122 51.256 -4.117 -3.962 1.00 0.00 N ATOM 520 CA LEU A 122 51.428 -3.863 -5.421 1.00 0.00 C ATOM 521 C LEU A 122 50.240 -4.433 -6.203 1.00 0.00 C ATOM 522 O LEU A 122 49.647 -3.764 -7.026 1.00 0.00 O ATOM 523 CB LEU A 122 52.716 -4.593 -5.803 1.00 0.00 C ATOM 524 CG LEU A 122 53.924 -3.789 -5.320 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.207 -4.574 -5.599 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.977 -2.452 -6.066 1.00 0.00 C ATOM 0 H LEU A 122 51.872 -4.828 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 122 51.478 -2.798 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 122 52.727 -5.588 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.764 -4.726 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 122 53.833 -3.608 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 122 56.067 -4.000 -5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.172 -5.527 -5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.297 -4.755 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 122 54.838 -1.878 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 122 54.067 -2.636 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 122 53.064 -1.890 -5.870 1.00 0.00 H new ATOM 538 N ARG A 123 49.892 -5.665 -5.954 1.00 0.00 N ATOM 539 CA ARG A 123 48.748 -6.283 -6.685 1.00 0.00 C ATOM 540 C ARG A 123 47.531 -5.354 -6.662 1.00 0.00 C ATOM 541 O ARG A 123 46.778 -5.280 -7.613 1.00 0.00 O ATOM 542 CB ARG A 123 48.450 -7.577 -5.926 1.00 0.00 C ATOM 543 CG ARG A 123 48.837 -8.777 -6.792 1.00 0.00 C ATOM 544 CD ARG A 123 49.227 -9.952 -5.892 1.00 0.00 C ATOM 545 NE ARG A 123 49.482 -11.084 -6.826 1.00 0.00 N ATOM 546 CZ ARG A 123 50.442 -11.932 -6.574 1.00 0.00 C ATOM 547 NH1 ARG A 123 50.928 -12.026 -5.366 1.00 0.00 N ATOM 548 NH2 ARG A 123 50.916 -12.684 -7.529 1.00 0.00 N ATOM 0 H ARG A 123 50.351 -6.272 -5.275 1.00 0.00 H new ATOM 0 HA ARG A 123 48.981 -6.466 -7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.006 -7.597 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 123 47.392 -7.626 -5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 123 48.003 -9.059 -7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 123 49.669 -8.514 -7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 123 50.113 -9.720 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 123 48.430 -10.192 -5.189 1.00 0.00 H new ATOM 0 HE ARG A 123 48.907 -11.196 -7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 123 50.558 -11.437 -4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 123 51.678 -12.688 -5.168 1.00 0.00 H new ATOM 0 HH21 ARG A 123 50.536 -12.609 -8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 123 51.666 -13.346 -7.332 1.00 0.00 H new ATOM 562 N ALA A 124 47.328 -4.648 -5.584 1.00 0.00 N ATOM 563 CA ALA A 124 46.156 -3.728 -5.506 1.00 0.00 C ATOM 564 C ALA A 124 46.112 -2.816 -6.736 1.00 0.00 C ATOM 565 O ALA A 124 45.066 -2.574 -7.305 1.00 0.00 O ATOM 566 CB ALA A 124 46.382 -2.906 -4.238 1.00 0.00 C ATOM 0 H ALA A 124 47.921 -4.667 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 124 45.210 -4.268 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.559 -2.202 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.429 -3.572 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.319 -2.356 -4.323 1.00 0.00 H new ATOM 572 N THR A 125 47.240 -2.306 -7.149 1.00 0.00 N ATOM 573 CA THR A 125 47.263 -1.408 -8.339 1.00 0.00 C ATOM 574 C THR A 125 46.926 -2.197 -9.607 1.00 0.00 C ATOM 575 O THR A 125 46.757 -1.637 -10.673 1.00 0.00 O ATOM 576 CB THR A 125 48.695 -0.872 -8.401 1.00 0.00 C ATOM 577 OG1 THR A 125 49.578 -1.926 -8.757 1.00 0.00 O ATOM 578 CG2 THR A 125 49.092 -0.308 -7.035 1.00 0.00 C ATOM 0 H THR A 125 48.147 -2.472 -6.714 1.00 0.00 H new ATOM 0 HA THR A 125 46.530 -0.605 -8.265 1.00 0.00 H new ATOM 0 HB THR A 125 48.755 -0.080 -9.148 1.00 0.00 H new ATOM 0 HG1 THR A 125 49.656 -2.554 -8.009 1.00 0.00 H new ATOM 0 HG21 THR A 125 50.112 0.073 -7.081 1.00 0.00 H new ATOM 0 HG22 THR A 125 48.414 0.502 -6.765 1.00 0.00 H new ATOM 0 HG23 THR A 125 49.033 -1.096 -6.285 1.00 0.00 H new ATOM 586 N GLY A 126 46.825 -3.494 -9.499 1.00 0.00 N ATOM 587 CA GLY A 126 46.498 -4.319 -10.696 1.00 0.00 C ATOM 588 C GLY A 126 47.764 -4.551 -11.522 1.00 0.00 C ATOM 589 O GLY A 126 47.748 -4.485 -12.735 1.00 0.00 O ATOM 0 H GLY A 126 46.955 -4.018 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 126 46.074 -5.274 -10.387 1.00 0.00 H new ATOM 0 HA3 GLY A 126 45.744 -3.816 -11.301 1.00 0.00 H new ATOM 593 N GLU A 127 48.864 -4.821 -10.874 1.00 0.00 N ATOM 594 CA GLU A 127 50.132 -5.057 -11.622 1.00 0.00 C ATOM 595 C GLU A 127 50.688 -6.445 -11.296 1.00 0.00 C ATOM 596 O GLU A 127 50.636 -6.897 -10.170 1.00 0.00 O ATOM 597 CB GLU A 127 51.088 -3.968 -11.133 1.00 0.00 C ATOM 598 CG GLU A 127 51.097 -2.810 -12.132 1.00 0.00 C ATOM 599 CD GLU A 127 49.659 -2.418 -12.471 1.00 0.00 C ATOM 600 OE1 GLU A 127 49.039 -1.753 -11.656 1.00 0.00 O ATOM 601 OE2 GLU A 127 49.200 -2.790 -13.538 1.00 0.00 O ATOM 0 H GLU A 127 48.940 -4.888 -9.859 1.00 0.00 H new ATOM 0 HA GLU A 127 49.988 -5.019 -12.702 1.00 0.00 H new ATOM 0 HB2 GLU A 127 50.778 -3.612 -10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 127 52.093 -4.375 -11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 127 51.628 -1.956 -11.711 1.00 0.00 H new ATOM 0 HG3 GLU A 127 51.629 -3.101 -13.038 1.00 0.00 H new ATOM 608 N HIS A 128 51.218 -7.125 -12.276 1.00 0.00 N ATOM 609 CA HIS A 128 51.775 -8.485 -12.021 1.00 0.00 C ATOM 610 C HIS A 128 53.193 -8.380 -11.453 1.00 0.00 C ATOM 611 O HIS A 128 54.116 -7.977 -12.131 1.00 0.00 O ATOM 612 CB HIS A 128 51.791 -9.172 -13.388 1.00 0.00 C ATOM 613 CG HIS A 128 52.594 -8.351 -14.360 1.00 0.00 C ATOM 614 ND1 HIS A 128 53.952 -8.550 -14.552 1.00 0.00 N ATOM 615 CD2 HIS A 128 52.242 -7.328 -15.207 1.00 0.00 C ATOM 616 CE1 HIS A 128 54.364 -7.667 -15.480 1.00 0.00 C ATOM 617 NE2 HIS A 128 53.362 -6.899 -15.913 1.00 0.00 N ATOM 0 H HIS A 128 51.290 -6.799 -13.240 1.00 0.00 H new ATOM 0 HA HIS A 128 51.184 -9.042 -11.294 1.00 0.00 H new ATOM 0 HB2 HIS A 128 52.220 -10.170 -13.299 1.00 0.00 H new ATOM 0 HB3 HIS A 128 50.772 -9.295 -13.756 1.00 0.00 H new ATOM 0 HD2 HIS A 128 51.248 -6.919 -15.309 1.00 0.00 H new ATOM 0 HE1 HIS A 128 55.382 -7.589 -15.832 1.00 0.00 H new ATOM 0 HE2 HIS A 128 53.407 -6.157 -16.611 1.00 0.00 H new ATOM 625 N VAL A 129 53.373 -8.745 -10.212 1.00 0.00 N ATOM 626 CA VAL A 129 54.732 -8.672 -9.601 1.00 0.00 C ATOM 627 C VAL A 129 55.110 -10.033 -9.008 1.00 0.00 C ATOM 628 O VAL A 129 54.257 -10.833 -8.678 1.00 0.00 O ATOM 629 CB VAL A 129 54.626 -7.619 -8.494 1.00 0.00 C ATOM 630 CG1 VAL A 129 56.028 -7.244 -8.012 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.928 -6.368 -9.036 1.00 0.00 C ATOM 0 H VAL A 129 52.638 -9.091 -9.595 1.00 0.00 H new ATOM 0 HA VAL A 129 55.497 -8.411 -10.332 1.00 0.00 H new ATOM 0 HB VAL A 129 54.048 -8.027 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.954 -6.495 -7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.528 -8.131 -7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.603 -6.839 -8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 129 53.854 -5.621 -8.246 1.00 0.00 H new ATOM 0 HG22 VAL A 129 54.504 -5.961 -9.867 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.928 -6.630 -9.382 1.00 0.00 H new ATOM 641 N ILE A 130 56.379 -10.303 -8.868 1.00 0.00 N ATOM 642 CA ILE A 130 56.800 -11.613 -8.295 1.00 0.00 C ATOM 643 C ILE A 130 57.823 -11.399 -7.178 1.00 0.00 C ATOM 644 O ILE A 130 58.481 -10.379 -7.110 1.00 0.00 O ATOM 645 CB ILE A 130 57.424 -12.380 -9.464 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.821 -11.825 -9.764 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.542 -12.227 -10.704 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.539 -12.758 -10.741 1.00 0.00 C ATOM 0 H ILE A 130 57.141 -9.675 -9.125 1.00 0.00 H new ATOM 0 HA ILE A 130 55.965 -12.158 -7.855 1.00 0.00 H new ATOM 0 HB ILE A 130 57.504 -13.434 -9.198 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.743 -10.825 -10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.395 -11.735 -8.841 1.00 0.00 H new ATOM 0 HG21 ILE A 130 56.986 -12.773 -11.536 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.550 -12.627 -10.496 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.461 -11.172 -10.965 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.533 -12.365 -10.956 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.629 -13.750 -10.298 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.968 -12.825 -11.667 1.00 0.00 H new ATOM 660 N GLU A 131 57.963 -12.353 -6.299 1.00 0.00 N ATOM 661 CA GLU A 131 58.944 -12.204 -5.187 1.00 0.00 C ATOM 662 C GLU A 131 60.294 -11.730 -5.732 1.00 0.00 C ATOM 663 O GLU A 131 60.874 -10.784 -5.237 1.00 0.00 O ATOM 664 CB GLU A 131 59.069 -13.602 -4.578 1.00 0.00 C ATOM 665 CG GLU A 131 57.964 -13.807 -3.539 1.00 0.00 C ATOM 666 CD GLU A 131 57.475 -15.255 -3.594 1.00 0.00 C ATOM 667 OE1 GLU A 131 56.898 -15.627 -4.603 1.00 0.00 O ATOM 668 OE2 GLU A 131 57.686 -15.968 -2.627 1.00 0.00 O ATOM 0 H GLU A 131 57.441 -13.229 -6.303 1.00 0.00 H new ATOM 0 HA GLU A 131 58.625 -11.467 -4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 131 58.993 -14.359 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 131 60.047 -13.721 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 131 58.340 -13.576 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 131 57.136 -13.125 -3.733 1.00 0.00 H new ATOM 675 N GLU A 132 60.799 -12.376 -6.749 1.00 0.00 N ATOM 676 CA GLU A 132 62.111 -11.956 -7.321 1.00 0.00 C ATOM 677 C GLU A 132 62.179 -10.431 -7.418 1.00 0.00 C ATOM 678 O GLU A 132 63.211 -9.830 -7.191 1.00 0.00 O ATOM 679 CB GLU A 132 62.162 -12.588 -8.712 1.00 0.00 C ATOM 680 CG GLU A 132 63.221 -13.693 -8.732 1.00 0.00 C ATOM 681 CD GLU A 132 62.620 -14.969 -9.324 1.00 0.00 C ATOM 682 OE1 GLU A 132 62.195 -14.926 -10.467 1.00 0.00 O ATOM 683 OE2 GLU A 132 62.597 -15.969 -8.625 1.00 0.00 O ATOM 0 H GLU A 132 60.361 -13.175 -7.208 1.00 0.00 H new ATOM 0 HA GLU A 132 62.951 -12.272 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.187 -12.999 -8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.398 -11.830 -9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 132 64.081 -13.376 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 132 63.581 -13.884 -7.721 1.00 0.00 H new ATOM 690 N ASP A 133 61.085 -9.797 -7.741 1.00 0.00 N ATOM 691 CA ASP A 133 61.087 -8.310 -7.839 1.00 0.00 C ATOM 692 C ASP A 133 60.806 -7.713 -6.461 1.00 0.00 C ATOM 693 O ASP A 133 61.497 -6.828 -5.999 1.00 0.00 O ATOM 694 CB ASP A 133 59.960 -7.973 -8.816 1.00 0.00 C ATOM 695 CG ASP A 133 60.537 -7.243 -10.031 1.00 0.00 C ATOM 696 OD1 ASP A 133 61.502 -6.517 -9.857 1.00 0.00 O ATOM 697 OD2 ASP A 133 60.004 -7.424 -11.113 1.00 0.00 O ATOM 0 H ASP A 133 60.190 -10.244 -7.941 1.00 0.00 H new ATOM 0 HA ASP A 133 62.042 -7.910 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.455 -8.885 -9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.213 -7.349 -8.325 1.00 0.00 H new ATOM 702 N ILE A 134 59.798 -8.207 -5.797 1.00 0.00 N ATOM 703 CA ILE A 134 59.469 -7.692 -4.441 1.00 0.00 C ATOM 704 C ILE A 134 60.704 -7.775 -3.545 1.00 0.00 C ATOM 705 O ILE A 134 60.951 -6.914 -2.723 1.00 0.00 O ATOM 706 CB ILE A 134 58.363 -8.616 -3.936 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.166 -8.518 -4.887 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.944 -8.191 -2.528 1.00 0.00 C ATOM 709 CD1 ILE A 134 55.975 -9.277 -4.303 1.00 0.00 C ATOM 0 H ILE A 134 59.186 -8.948 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 134 59.152 -6.649 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 134 58.723 -9.644 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.900 -7.473 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.429 -8.931 -5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.155 -8.851 -2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.802 -8.253 -1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.576 -7.165 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.127 -9.203 -4.984 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.242 -10.325 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.705 -8.845 -3.340 1.00 0.00 H new ATOM 721 N GLU A 135 61.491 -8.804 -3.707 1.00 0.00 N ATOM 722 CA GLU A 135 62.720 -8.941 -2.875 1.00 0.00 C ATOM 723 C GLU A 135 63.651 -7.752 -3.121 1.00 0.00 C ATOM 724 O GLU A 135 64.159 -7.144 -2.200 1.00 0.00 O ATOM 725 CB GLU A 135 63.375 -10.241 -3.348 1.00 0.00 C ATOM 726 CG GLU A 135 62.691 -11.432 -2.676 1.00 0.00 C ATOM 727 CD GLU A 135 63.419 -12.722 -3.060 1.00 0.00 C ATOM 728 OE1 GLU A 135 63.839 -12.824 -4.200 1.00 0.00 O ATOM 729 OE2 GLU A 135 63.544 -13.585 -2.206 1.00 0.00 O ATOM 0 H GLU A 135 61.336 -9.555 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 135 62.500 -8.961 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 135 63.296 -10.327 -4.432 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.438 -10.234 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 135 62.699 -11.306 -1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 135 61.647 -11.486 -2.983 1.00 0.00 H new ATOM 736 N ASP A 136 63.877 -7.414 -4.361 1.00 0.00 N ATOM 737 CA ASP A 136 64.771 -6.263 -4.671 1.00 0.00 C ATOM 738 C ASP A 136 64.340 -5.032 -3.871 1.00 0.00 C ATOM 739 O ASP A 136 65.158 -4.281 -3.378 1.00 0.00 O ATOM 740 CB ASP A 136 64.594 -6.020 -6.171 1.00 0.00 C ATOM 741 CG ASP A 136 65.809 -5.265 -6.715 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.074 -4.179 -6.226 1.00 0.00 O ATOM 743 OD2 ASP A 136 66.454 -5.787 -7.610 1.00 0.00 O ATOM 0 H ASP A 136 63.481 -7.886 -5.174 1.00 0.00 H new ATOM 0 HA ASP A 136 65.811 -6.462 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.480 -6.970 -6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.685 -5.446 -6.352 1.00 0.00 H new ATOM 748 N LEU A 137 63.058 -4.821 -3.738 1.00 0.00 N ATOM 749 CA LEU A 137 62.572 -3.640 -2.969 1.00 0.00 C ATOM 750 C LEU A 137 63.039 -3.728 -1.513 1.00 0.00 C ATOM 751 O LEU A 137 63.539 -2.772 -0.953 1.00 0.00 O ATOM 752 CB LEU A 137 61.047 -3.718 -3.050 1.00 0.00 C ATOM 753 CG LEU A 137 60.565 -3.026 -4.326 1.00 0.00 C ATOM 754 CD1 LEU A 137 60.732 -3.973 -5.517 1.00 0.00 C ATOM 755 CD2 LEU A 137 59.089 -2.655 -4.176 1.00 0.00 C ATOM 0 H LEU A 137 62.327 -5.415 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 137 62.954 -2.700 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.725 -4.759 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.602 -3.243 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 137 61.154 -2.124 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 137 60.388 -3.479 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 137 61.783 -4.240 -5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 137 60.144 -4.875 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 137 58.744 -2.162 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 137 58.502 -3.558 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 137 58.968 -1.981 -3.328 1.00 0.00 H new ATOM 767 N MET A 138 62.885 -4.867 -0.896 1.00 0.00 N ATOM 768 CA MET A 138 63.325 -5.010 0.520 1.00 0.00 C ATOM 769 C MET A 138 64.842 -4.861 0.606 1.00 0.00 C ATOM 770 O MET A 138 65.360 -4.128 1.426 1.00 0.00 O ATOM 771 CB MET A 138 62.899 -6.419 0.932 1.00 0.00 C ATOM 772 CG MET A 138 63.365 -6.697 2.362 1.00 0.00 C ATOM 773 SD MET A 138 62.809 -5.360 3.449 1.00 0.00 S ATOM 774 CE MET A 138 61.057 -5.414 3.000 1.00 0.00 C ATOM 0 H MET A 138 62.474 -5.704 -1.310 1.00 0.00 H new ATOM 0 HA MET A 138 62.888 -4.252 1.170 1.00 0.00 H new ATOM 0 HB2 MET A 138 61.815 -6.516 0.866 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.327 -7.154 0.250 1.00 0.00 H new ATOM 0 HG2 MET A 138 62.965 -7.651 2.707 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.452 -6.777 2.393 1.00 0.00 H new ATOM 0 HE1 MET A 138 60.468 -4.920 3.773 1.00 0.00 H new ATOM 0 HE2 MET A 138 60.909 -4.903 2.049 1.00 0.00 H new ATOM 0 HE3 MET A 138 60.737 -6.452 2.908 1.00 0.00 H new ATOM 784 N LYS A 139 65.559 -5.549 -0.239 1.00 0.00 N ATOM 785 CA LYS A 139 67.043 -5.442 -0.209 1.00 0.00 C ATOM 786 C LYS A 139 67.471 -4.018 -0.570 1.00 0.00 C ATOM 787 O LYS A 139 68.418 -3.488 -0.025 1.00 0.00 O ATOM 788 CB LYS A 139 67.537 -6.440 -1.257 1.00 0.00 C ATOM 789 CG LYS A 139 68.599 -7.346 -0.633 1.00 0.00 C ATOM 790 CD LYS A 139 68.024 -8.030 0.608 1.00 0.00 C ATOM 791 CE LYS A 139 68.919 -7.737 1.815 1.00 0.00 C ATOM 792 NZ LYS A 139 68.204 -8.334 2.978 1.00 0.00 N ATOM 0 H LYS A 139 65.182 -6.179 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 139 67.456 -5.658 0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 139 66.704 -7.038 -1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 139 67.953 -5.909 -2.113 1.00 0.00 H new ATOM 0 HG2 LYS A 139 68.923 -8.095 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 139 69.478 -6.761 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 139 67.012 -7.672 0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 139 67.956 -9.106 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 139 69.908 -8.179 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 139 69.064 -6.665 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 68.756 -8.174 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 67.269 -7.889 3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 68.087 -9.356 2.826 1.00 0.00 H new ATOM 806 N ASP A 140 66.777 -3.395 -1.482 1.00 0.00 N ATOM 807 CA ASP A 140 67.139 -2.003 -1.876 1.00 0.00 C ATOM 808 C ASP A 140 66.842 -1.036 -0.726 1.00 0.00 C ATOM 809 O ASP A 140 67.531 -0.054 -0.536 1.00 0.00 O ATOM 810 CB ASP A 140 66.252 -1.690 -3.084 1.00 0.00 C ATOM 811 CG ASP A 140 66.573 -0.288 -3.604 1.00 0.00 C ATOM 812 OD1 ASP A 140 66.975 0.543 -2.805 1.00 0.00 O ATOM 813 OD2 ASP A 140 66.411 -0.067 -4.794 1.00 0.00 O ATOM 0 H ASP A 140 65.974 -3.789 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 140 68.198 -1.901 -2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.416 -2.427 -3.870 1.00 0.00 H new ATOM 0 HB3 ASP A 140 65.201 -1.753 -2.803 1.00 0.00 H new ATOM 818 N SER A 141 65.820 -1.306 0.041 1.00 0.00 N ATOM 819 CA SER A 141 65.481 -0.400 1.176 1.00 0.00 C ATOM 820 C SER A 141 66.322 -0.752 2.407 1.00 0.00 C ATOM 821 O SER A 141 67.013 0.080 2.958 1.00 0.00 O ATOM 822 CB SER A 141 64.000 -0.651 1.459 1.00 0.00 C ATOM 823 OG SER A 141 63.484 0.419 2.239 1.00 0.00 O ATOM 0 H SER A 141 65.206 -2.113 -0.069 1.00 0.00 H new ATOM 0 HA SER A 141 65.682 0.645 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 141 63.448 -0.733 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 141 63.874 -1.596 1.988 1.00 0.00 H new ATOM 0 HG SER A 141 63.782 1.273 1.861 1.00 0.00 H new ATOM 829 N ASP A 142 66.261 -1.980 2.845 1.00 0.00 N ATOM 830 CA ASP A 142 67.049 -2.384 4.044 1.00 0.00 C ATOM 831 C ASP A 142 68.456 -1.784 3.990 1.00 0.00 C ATOM 832 O ASP A 142 69.315 -2.254 3.270 1.00 0.00 O ATOM 833 CB ASP A 142 67.116 -3.911 3.977 1.00 0.00 C ATOM 834 CG ASP A 142 65.944 -4.508 4.759 1.00 0.00 C ATOM 835 OD1 ASP A 142 65.120 -3.741 5.229 1.00 0.00 O ATOM 836 OD2 ASP A 142 65.889 -5.720 4.873 1.00 0.00 O ATOM 0 H ASP A 142 65.700 -2.721 2.425 1.00 0.00 H new ATOM 0 HA ASP A 142 66.594 -2.033 4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 142 67.081 -4.242 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 142 68.061 -4.263 4.392 1.00 0.00 H new ATOM 841 N LYS A 143 68.703 -0.752 4.752 1.00 0.00 N ATOM 842 CA LYS A 143 70.059 -0.131 4.747 1.00 0.00 C ATOM 843 C LYS A 143 71.008 -0.957 5.618 1.00 0.00 C ATOM 844 O LYS A 143 72.214 -0.832 5.534 1.00 0.00 O ATOM 845 CB LYS A 143 69.864 1.267 5.338 1.00 0.00 C ATOM 846 CG LYS A 143 70.629 2.287 4.491 1.00 0.00 C ATOM 847 CD LYS A 143 70.409 3.692 5.055 1.00 0.00 C ATOM 848 CE LYS A 143 71.624 4.567 4.733 1.00 0.00 C ATOM 849 NZ LYS A 143 72.570 4.342 5.861 1.00 0.00 N ATOM 0 H LYS A 143 68.026 -0.313 5.376 1.00 0.00 H new ATOM 0 HA LYS A 143 70.493 -0.087 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 143 68.804 1.519 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 143 70.221 1.292 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.692 2.048 4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 143 70.290 2.243 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 143 69.508 4.131 4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 143 70.258 3.643 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 143 72.072 4.285 3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 143 71.344 5.618 4.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 73.429 4.909 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 72.119 4.625 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 72.824 3.334 5.906 1.00 0.00 H new ATOM 863 N ASN A 144 70.468 -1.804 6.450 1.00 0.00 N ATOM 864 CA ASN A 144 71.329 -2.649 7.326 1.00 0.00 C ATOM 865 C ASN A 144 70.986 -4.127 7.123 1.00 0.00 C ATOM 866 O ASN A 144 71.359 -4.977 7.907 1.00 0.00 O ATOM 867 CB ASN A 144 71.001 -2.203 8.755 1.00 0.00 C ATOM 868 CG ASN A 144 69.669 -2.814 9.202 1.00 0.00 C ATOM 869 OD1 ASN A 144 69.645 -3.738 9.990 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.552 -2.333 8.728 1.00 0.00 N ATOM 0 H ASN A 144 69.464 -1.948 6.562 1.00 0.00 H new ATOM 0 HA ASN A 144 72.390 -2.536 7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 144 71.797 -2.511 9.433 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.945 -1.115 8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 144 67.660 -2.733 9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 144 68.571 -1.557 8.066 1.00 0.00 H new ATOM 877 N ASN A 145 70.275 -4.436 6.072 1.00 0.00 N ATOM 878 CA ASN A 145 69.901 -5.854 5.809 1.00 0.00 C ATOM 879 C ASN A 145 69.176 -6.448 7.020 1.00 0.00 C ATOM 880 O ASN A 145 69.723 -7.252 7.749 1.00 0.00 O ATOM 881 CB ASN A 145 71.222 -6.580 5.572 1.00 0.00 C ATOM 882 CG ASN A 145 71.322 -6.995 4.102 1.00 0.00 C ATOM 883 OD1 ASN A 145 71.393 -8.167 3.793 1.00 0.00 O ATOM 884 ND2 ASN A 145 71.326 -6.075 3.176 1.00 0.00 N ATOM 0 H ASN A 145 69.936 -3.765 5.383 1.00 0.00 H new ATOM 0 HA ASN A 145 69.227 -5.946 4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 145 72.058 -5.931 5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 145 71.286 -7.459 6.214 1.00 0.00 H new ATOM 0 HD21 ASN A 145 71.389 -6.341 2.193 1.00 0.00 H new ATOM 0 HD22 ASN A 145 71.266 -5.090 3.435 1.00 0.00 H new ATOM 891 N ASP A 146 67.948 -6.067 7.231 1.00 0.00 N ATOM 892 CA ASP A 146 67.186 -6.617 8.388 1.00 0.00 C ATOM 893 C ASP A 146 65.839 -7.164 7.909 1.00 0.00 C ATOM 894 O ASP A 146 64.900 -7.283 8.669 1.00 0.00 O ATOM 895 CB ASP A 146 66.981 -5.434 9.336 1.00 0.00 C ATOM 896 CG ASP A 146 65.908 -4.499 8.771 1.00 0.00 C ATOM 897 OD1 ASP A 146 65.782 -4.439 7.560 1.00 0.00 O ATOM 898 OD2 ASP A 146 65.232 -3.861 9.561 1.00 0.00 O ATOM 0 H ASP A 146 67.438 -5.399 6.653 1.00 0.00 H new ATOM 0 HA ASP A 146 67.711 -7.437 8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 146 66.682 -5.793 10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 146 67.918 -4.892 9.465 1.00 0.00 H new ATOM 903 N GLY A 147 65.743 -7.494 6.650 1.00 0.00 N ATOM 904 CA GLY A 147 64.459 -8.030 6.116 1.00 0.00 C ATOM 905 C GLY A 147 63.293 -7.208 6.669 1.00 0.00 C ATOM 906 O GLY A 147 62.236 -7.732 6.963 1.00 0.00 O ATOM 0 H GLY A 147 66.498 -7.416 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.461 -7.990 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 147 64.345 -9.077 6.397 1.00 0.00 H new ATOM 910 N ARG A 148 63.477 -5.924 6.820 1.00 0.00 N ATOM 911 CA ARG A 148 62.379 -5.073 7.361 1.00 0.00 C ATOM 912 C ARG A 148 62.584 -3.610 6.953 1.00 0.00 C ATOM 913 O ARG A 148 63.585 -3.003 7.276 1.00 0.00 O ATOM 914 CB ARG A 148 62.478 -5.221 8.880 1.00 0.00 C ATOM 915 CG ARG A 148 61.286 -6.026 9.395 1.00 0.00 C ATOM 916 CD ARG A 148 61.389 -6.176 10.914 1.00 0.00 C ATOM 917 NE ARG A 148 61.975 -7.527 11.128 1.00 0.00 N ATOM 918 CZ ARG A 148 62.110 -7.996 12.338 1.00 0.00 C ATOM 919 NH1 ARG A 148 62.746 -7.300 13.240 1.00 0.00 N ATOM 920 NH2 ARG A 148 61.607 -9.159 12.646 1.00 0.00 N ATOM 0 H ARG A 148 64.339 -5.428 6.592 1.00 0.00 H new ATOM 0 HA ARG A 148 61.402 -5.373 6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 148 63.409 -5.720 9.147 1.00 0.00 H new ATOM 0 HB3 ARG A 148 62.497 -4.238 9.351 1.00 0.00 H new ATOM 0 HG2 ARG A 148 60.354 -5.526 9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.266 -7.008 8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 148 62.020 -5.399 11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 148 60.410 -6.091 11.386 1.00 0.00 H new ATOM 0 HE ARG A 148 62.271 -8.087 10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 148 63.137 -6.389 12.999 1.00 0.00 H new ATOM 0 HH12 ARG A 148 62.852 -7.666 14.186 1.00 0.00 H new ATOM 0 HH21 ARG A 148 61.108 -9.702 11.941 1.00 0.00 H new ATOM 0 HH22 ARG A 148 61.712 -9.526 13.592 1.00 0.00 H new ATOM 934 N ILE A 149 61.641 -3.038 6.254 1.00 0.00 N ATOM 935 CA ILE A 149 61.785 -1.612 5.838 1.00 0.00 C ATOM 936 C ILE A 149 61.332 -0.693 6.977 1.00 0.00 C ATOM 937 O ILE A 149 60.203 -0.752 7.424 1.00 0.00 O ATOM 938 CB ILE A 149 60.871 -1.460 4.616 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.603 -1.960 3.367 1.00 0.00 C ATOM 940 CG2 ILE A 149 60.494 0.011 4.423 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.581 -2.475 2.350 1.00 0.00 C ATOM 0 H ILE A 149 60.780 -3.494 5.954 1.00 0.00 H new ATOM 0 HA ILE A 149 62.815 -1.345 5.603 1.00 0.00 H new ATOM 0 HB ILE A 149 59.966 -2.046 4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.192 -1.154 2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.299 -2.755 3.634 1.00 0.00 H new ATOM 0 HG21 ILE A 149 59.845 0.109 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 149 59.971 0.372 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 149 61.398 0.601 4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.101 -2.831 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.011 -3.294 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 149 59.903 -1.667 2.075 1.00 0.00 H new ATOM 953 N ASP A 150 62.203 0.154 7.452 1.00 0.00 N ATOM 954 CA ASP A 150 61.821 1.072 8.565 1.00 0.00 C ATOM 955 C ASP A 150 61.255 2.379 8.003 1.00 0.00 C ATOM 956 O ASP A 150 60.697 2.415 6.924 1.00 0.00 O ATOM 957 CB ASP A 150 63.123 1.330 9.329 1.00 0.00 C ATOM 958 CG ASP A 150 63.999 2.306 8.540 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.041 2.186 7.326 1.00 0.00 O ATOM 960 OD2 ASP A 150 64.612 3.157 9.164 1.00 0.00 O ATOM 0 H ASP A 150 63.162 0.251 7.119 1.00 0.00 H new ATOM 0 HA ASP A 150 61.050 0.646 9.207 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.903 1.739 10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.656 0.392 9.485 1.00 0.00 H new ATOM 965 N PHE A 151 61.393 3.454 8.729 1.00 0.00 N ATOM 966 CA PHE A 151 60.865 4.759 8.239 1.00 0.00 C ATOM 967 C PHE A 151 61.857 5.403 7.268 1.00 0.00 C ATOM 968 O PHE A 151 61.478 5.987 6.271 1.00 0.00 O ATOM 969 CB PHE A 151 60.710 5.619 9.495 1.00 0.00 C ATOM 970 CG PHE A 151 60.087 6.941 9.124 1.00 0.00 C ATOM 971 CD1 PHE A 151 60.892 7.994 8.672 1.00 0.00 C ATOM 972 CD2 PHE A 151 58.701 7.117 9.231 1.00 0.00 C ATOM 973 CE1 PHE A 151 60.313 9.220 8.328 1.00 0.00 C ATOM 974 CE2 PHE A 151 58.123 8.344 8.888 1.00 0.00 C ATOM 975 CZ PHE A 151 58.928 9.395 8.435 1.00 0.00 C ATOM 0 H PHE A 151 61.849 3.485 9.641 1.00 0.00 H new ATOM 0 HA PHE A 151 59.924 4.647 7.701 1.00 0.00 H new ATOM 0 HB2 PHE A 151 60.088 5.104 10.227 1.00 0.00 H new ATOM 0 HB3 PHE A 151 61.682 5.781 9.961 1.00 0.00 H new ATOM 0 HD1 PHE A 151 61.960 7.859 8.589 1.00 0.00 H new ATOM 0 HD2 PHE A 151 58.079 6.305 9.578 1.00 0.00 H new ATOM 0 HE1 PHE A 151 60.934 10.032 7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 151 57.055 8.480 8.973 1.00 0.00 H new ATOM 0 HZ PHE A 151 58.481 10.341 8.168 1.00 0.00 H new ATOM 985 N ASP A 152 63.127 5.305 7.553 1.00 0.00 N ATOM 986 CA ASP A 152 64.149 5.914 6.651 1.00 0.00 C ATOM 987 C ASP A 152 64.305 5.086 5.374 1.00 0.00 C ATOM 988 O ASP A 152 64.157 5.582 4.275 1.00 0.00 O ATOM 989 CB ASP A 152 65.447 5.886 7.457 1.00 0.00 C ATOM 990 CG ASP A 152 65.870 7.315 7.801 1.00 0.00 C ATOM 991 OD1 ASP A 152 66.111 8.079 6.881 1.00 0.00 O ATOM 992 OD2 ASP A 152 65.946 7.622 8.980 1.00 0.00 O ATOM 0 H ASP A 152 63.503 4.829 8.373 1.00 0.00 H new ATOM 0 HA ASP A 152 63.871 6.922 6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 152 65.307 5.308 8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 152 66.232 5.392 6.884 1.00 0.00 H new ATOM 997 N GLU A 153 64.616 3.826 5.511 1.00 0.00 N ATOM 998 CA GLU A 153 64.795 2.964 4.309 1.00 0.00 C ATOM 999 C GLU A 153 63.644 3.173 3.324 1.00 0.00 C ATOM 1000 O GLU A 153 63.831 3.145 2.124 1.00 0.00 O ATOM 1001 CB GLU A 153 64.793 1.535 4.850 1.00 0.00 C ATOM 1002 CG GLU A 153 65.989 1.346 5.783 1.00 0.00 C ATOM 1003 CD GLU A 153 65.679 0.241 6.794 1.00 0.00 C ATOM 1004 OE1 GLU A 153 64.929 -0.657 6.449 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.196 0.311 7.897 1.00 0.00 O ATOM 0 H GLU A 153 64.754 3.356 6.406 1.00 0.00 H new ATOM 0 HA GLU A 153 65.712 3.195 3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 153 63.864 1.338 5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 153 64.843 0.822 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 153 66.876 1.087 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.209 2.278 6.303 1.00 0.00 H new ATOM 1012 N PHE A 154 62.456 3.383 3.819 1.00 0.00 N ATOM 1013 CA PHE A 154 61.297 3.595 2.904 1.00 0.00 C ATOM 1014 C PHE A 154 61.580 4.763 1.954 1.00 0.00 C ATOM 1015 O PHE A 154 61.533 4.620 0.748 1.00 0.00 O ATOM 1016 CB PHE A 154 60.122 3.925 3.823 1.00 0.00 C ATOM 1017 CG PHE A 154 58.831 3.797 3.052 1.00 0.00 C ATOM 1018 CD1 PHE A 154 58.317 4.902 2.363 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.150 2.574 3.022 1.00 0.00 C ATOM 1020 CE1 PHE A 154 57.121 4.785 1.647 1.00 0.00 C ATOM 1021 CE2 PHE A 154 56.954 2.456 2.306 1.00 0.00 C ATOM 1022 CZ PHE A 154 56.439 3.561 1.618 1.00 0.00 C ATOM 0 H PHE A 154 62.237 3.417 4.815 1.00 0.00 H new ATOM 0 HA PHE A 154 61.096 2.722 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.115 3.251 4.679 1.00 0.00 H new ATOM 0 HB3 PHE A 154 60.226 4.937 4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 154 58.844 5.845 2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 154 58.548 1.721 3.552 1.00 0.00 H new ATOM 0 HE1 PHE A 154 56.723 5.638 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 154 56.428 1.513 2.284 1.00 0.00 H new ATOM 0 HZ PHE A 154 55.516 3.470 1.065 1.00 0.00 H new ATOM 1032 N LEU A 155 61.875 5.917 2.489 1.00 0.00 N ATOM 1033 CA LEU A 155 62.162 7.093 1.617 1.00 0.00 C ATOM 1034 C LEU A 155 63.237 6.742 0.584 1.00 0.00 C ATOM 1035 O LEU A 155 63.049 6.913 -0.605 1.00 0.00 O ATOM 1036 CB LEU A 155 62.671 8.174 2.572 1.00 0.00 C ATOM 1037 CG LEU A 155 61.484 8.957 3.136 1.00 0.00 C ATOM 1038 CD1 LEU A 155 61.797 9.394 4.569 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.231 10.193 2.270 1.00 0.00 C ATOM 0 H LEU A 155 61.930 6.097 3.492 1.00 0.00 H new ATOM 0 HA LEU A 155 61.283 7.417 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 155 63.239 7.719 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 155 63.349 8.848 2.048 1.00 0.00 H new ATOM 0 HG LEU A 155 60.597 8.324 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 155 60.952 9.952 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 155 61.978 8.514 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 155 62.684 10.027 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 155 60.385 10.751 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.118 10.826 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.009 9.883 1.249 1.00 0.00 H new ATOM 1051 N LYS A 156 64.364 6.255 1.028 1.00 0.00 N ATOM 1052 CA LYS A 156 65.451 5.895 0.071 1.00 0.00 C ATOM 1053 C LYS A 156 64.915 4.970 -1.025 1.00 0.00 C ATOM 1054 O LYS A 156 65.289 5.074 -2.176 1.00 0.00 O ATOM 1055 CB LYS A 156 66.500 5.172 0.918 1.00 0.00 C ATOM 1056 CG LYS A 156 67.866 5.271 0.235 1.00 0.00 C ATOM 1057 CD LYS A 156 68.951 5.494 1.291 1.00 0.00 C ATOM 1058 CE LYS A 156 69.145 6.998 1.514 1.00 0.00 C ATOM 1059 NZ LYS A 156 69.713 7.515 0.236 1.00 0.00 N ATOM 0 H LYS A 156 64.580 6.091 2.011 1.00 0.00 H new ATOM 0 HA LYS A 156 65.863 6.771 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A 156 66.547 5.614 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 156 66.221 4.126 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 156 68.071 4.359 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 156 67.867 6.092 -0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 156 68.668 5.010 2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 156 69.887 5.040 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 156 68.199 7.486 1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 156 69.819 7.188 2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 70.436 8.233 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 70.145 6.731 -0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 68.955 7.941 -0.334 1.00 0.00 H new ATOM 1073 N MET A 157 64.045 4.061 -0.676 1.00 0.00 N ATOM 1074 CA MET A 157 63.492 3.128 -1.700 1.00 0.00 C ATOM 1075 C MET A 157 62.643 3.901 -2.720 1.00 0.00 C ATOM 1076 O MET A 157 62.798 3.749 -3.915 1.00 0.00 O ATOM 1077 CB MET A 157 62.658 2.112 -0.894 1.00 0.00 C ATOM 1078 CG MET A 157 61.153 2.311 -1.126 1.00 0.00 C ATOM 1079 SD MET A 157 60.240 0.962 -0.335 1.00 0.00 S ATOM 1080 CE MET A 157 61.048 -0.403 -1.207 1.00 0.00 C ATOM 0 H MET A 157 63.694 3.924 0.272 1.00 0.00 H new ATOM 0 HA MET A 157 64.264 2.626 -2.282 1.00 0.00 H new ATOM 0 HB2 MET A 157 62.941 1.099 -1.180 1.00 0.00 H new ATOM 0 HB3 MET A 157 62.881 2.217 0.168 1.00 0.00 H new ATOM 0 HG2 MET A 157 60.834 3.270 -0.717 1.00 0.00 H new ATOM 0 HG3 MET A 157 60.938 2.333 -2.194 1.00 0.00 H new ATOM 0 HE1 MET A 157 60.304 -1.153 -1.478 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.527 -0.025 -2.110 1.00 0.00 H new ATOM 0 HE3 MET A 157 61.799 -0.855 -0.559 1.00 0.00 H new ATOM 1090 N MET A 158 61.747 4.727 -2.254 1.00 0.00 N ATOM 1091 CA MET A 158 60.890 5.503 -3.196 1.00 0.00 C ATOM 1092 C MET A 158 61.486 6.894 -3.433 1.00 0.00 C ATOM 1093 O MET A 158 60.774 7.870 -3.566 1.00 0.00 O ATOM 1094 CB MET A 158 59.532 5.607 -2.502 1.00 0.00 C ATOM 1095 CG MET A 158 58.523 4.702 -3.213 1.00 0.00 C ATOM 1096 SD MET A 158 57.044 4.522 -2.185 1.00 0.00 S ATOM 1097 CE MET A 158 57.001 2.713 -2.155 1.00 0.00 C ATOM 0 H MET A 158 61.571 4.898 -1.264 1.00 0.00 H new ATOM 0 HA MET A 158 60.811 5.025 -4.172 1.00 0.00 H new ATOM 0 HB2 MET A 158 59.623 5.315 -1.456 1.00 0.00 H new ATOM 0 HB3 MET A 158 59.183 6.640 -2.516 1.00 0.00 H new ATOM 0 HG2 MET A 158 58.257 5.127 -4.181 1.00 0.00 H new ATOM 0 HG3 MET A 158 58.967 3.725 -3.405 1.00 0.00 H new ATOM 0 HE1 MET A 158 56.133 2.360 -2.712 1.00 0.00 H new ATOM 0 HE2 MET A 158 57.909 2.320 -2.612 1.00 0.00 H new ATOM 0 HE3 MET A 158 56.935 2.368 -1.123 1.00 0.00 H new