USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=8 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= -0.0984 X(o=-0.098,f=-0.01) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.156) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot -89:sc= 0.838 USER MOD Single : A 128 HIS :FLIP no HD1:sc= -0.327 F(o=-1.4,f=-0.33) USER MOD Single : A 138 MET CE :methyl -152:sc= -4.37! (180deg=-5.77!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 25:sc= -2.88 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 145 ASN : amide:sc= -0.0428 X(o=-0.043,f=-0.53) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 MET CE :methyl -121:sc= -0.433 (180deg=-3.8!) USER MOD Single : A 158 MET CE :methyl -111:sc= -0.631 (180deg=-4.05!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 59.993 14.926 3.671 1.00 0.00 N ATOM 116 CA GLU A 96 58.865 14.778 4.635 1.00 0.00 C ATOM 117 C GLU A 96 57.714 13.994 3.997 1.00 0.00 C ATOM 118 O GLU A 96 57.215 13.040 4.557 1.00 0.00 O ATOM 119 CB GLU A 96 58.422 16.205 4.952 1.00 0.00 C ATOM 120 CG GLU A 96 58.210 16.349 6.459 1.00 0.00 C ATOM 121 CD GLU A 96 57.133 17.402 6.726 1.00 0.00 C ATOM 122 OE1 GLU A 96 56.429 17.751 5.793 1.00 0.00 O ATOM 123 OE2 GLU A 96 57.032 17.841 7.859 1.00 0.00 O ATOM 0 HA GLU A 96 59.163 14.232 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 96 59.175 16.915 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 96 57.499 16.438 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 96 57.912 15.392 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 96 59.143 16.638 6.942 1.00 0.00 H new ATOM 130 N GLU A 97 57.290 14.393 2.829 1.00 0.00 N ATOM 131 CA GLU A 97 56.170 13.672 2.159 1.00 0.00 C ATOM 132 C GLU A 97 56.421 12.163 2.203 1.00 0.00 C ATOM 133 O GLU A 97 55.547 11.390 2.540 1.00 0.00 O ATOM 134 CB GLU A 97 56.183 14.179 0.716 1.00 0.00 C ATOM 135 CG GLU A 97 54.746 14.365 0.223 1.00 0.00 C ATOM 136 CD GLU A 97 54.017 15.356 1.131 1.00 0.00 C ATOM 137 OE1 GLU A 97 54.263 16.543 0.998 1.00 0.00 O ATOM 138 OE2 GLU A 97 53.223 14.910 1.943 1.00 0.00 O ATOM 0 H GLU A 97 57.669 15.185 2.310 1.00 0.00 H new ATOM 0 HA GLU A 97 55.210 13.850 2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 97 56.723 15.124 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 97 56.709 13.471 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 97 54.747 14.730 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.225 13.408 0.220 1.00 0.00 H new ATOM 145 N LEU A 98 57.609 11.741 1.869 1.00 0.00 N ATOM 146 CA LEU A 98 57.915 10.284 1.898 1.00 0.00 C ATOM 147 C LEU A 98 57.650 9.721 3.297 1.00 0.00 C ATOM 148 O LEU A 98 56.997 8.708 3.457 1.00 0.00 O ATOM 149 CB LEU A 98 59.400 10.184 1.547 1.00 0.00 C ATOM 150 CG LEU A 98 59.569 10.171 0.025 1.00 0.00 C ATOM 151 CD1 LEU A 98 59.109 8.820 -0.528 1.00 0.00 C ATOM 152 CD2 LEU A 98 58.724 11.287 -0.594 1.00 0.00 C ATOM 0 H LEU A 98 58.380 12.342 1.578 1.00 0.00 H new ATOM 0 HA LEU A 98 57.296 9.715 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 98 59.943 11.026 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 98 59.826 9.278 1.978 1.00 0.00 H new ATOM 0 HG LEU A 98 60.618 10.329 -0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 98 59.229 8.810 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 98 59.710 8.024 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 98 58.060 8.663 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 98 58.845 11.277 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 98 57.675 11.130 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 98 59.050 12.250 -0.202 1.00 0.00 H new ATOM 164 N ALA A 99 58.149 10.372 4.314 1.00 0.00 N ATOM 165 CA ALA A 99 57.923 9.874 5.701 1.00 0.00 C ATOM 166 C ALA A 99 56.438 9.569 5.914 1.00 0.00 C ATOM 167 O ALA A 99 56.070 8.487 6.329 1.00 0.00 O ATOM 168 CB ALA A 99 58.374 11.016 6.613 1.00 0.00 C ATOM 0 H ALA A 99 58.703 11.226 4.244 1.00 0.00 H new ATOM 0 HA ALA A 99 58.470 8.953 5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 99 58.238 10.725 7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 99 59.427 11.233 6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 99 57.779 11.905 6.404 1.00 0.00 H new ATOM 174 N ASN A 100 55.581 10.513 5.635 1.00 0.00 N ATOM 175 CA ASN A 100 54.121 10.274 5.823 1.00 0.00 C ATOM 176 C ASN A 100 53.681 9.046 5.022 1.00 0.00 C ATOM 177 O ASN A 100 52.993 8.178 5.524 1.00 0.00 O ATOM 178 CB ASN A 100 53.440 11.533 5.287 1.00 0.00 C ATOM 179 CG ASN A 100 52.922 12.370 6.457 1.00 0.00 C ATOM 180 OD1 ASN A 100 53.246 13.535 6.578 1.00 0.00 O ATOM 181 ND2 ASN A 100 52.124 11.822 7.332 1.00 0.00 N ATOM 0 H ASN A 100 55.828 11.439 5.285 1.00 0.00 H new ATOM 0 HA ASN A 100 53.865 10.085 6.865 1.00 0.00 H new ATOM 0 HB2 ASN A 100 54.144 12.115 4.693 1.00 0.00 H new ATOM 0 HB3 ASN A 100 52.616 11.261 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 100 51.773 12.371 8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 100 51.851 10.844 7.232 1.00 0.00 H new ATOM 188 N CYS A 101 54.074 8.965 3.780 1.00 0.00 N ATOM 189 CA CYS A 101 53.680 7.794 2.947 1.00 0.00 C ATOM 190 C CYS A 101 54.057 6.491 3.656 1.00 0.00 C ATOM 191 O CYS A 101 53.543 5.434 3.350 1.00 0.00 O ATOM 192 CB CYS A 101 54.474 7.945 1.649 1.00 0.00 C ATOM 193 SG CYS A 101 53.332 7.993 0.245 1.00 0.00 S ATOM 0 H CYS A 101 54.651 9.660 3.306 1.00 0.00 H new ATOM 0 HA CYS A 101 52.606 7.759 2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 101 55.069 8.858 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 101 55.170 7.114 1.537 1.00 0.00 H new ATOM 0 HG CYS A 101 54.006 8.124 -0.859 1.00 0.00 H new ATOM 199 N PHE A 102 54.953 6.559 4.602 1.00 0.00 N ATOM 200 CA PHE A 102 55.363 5.323 5.327 1.00 0.00 C ATOM 201 C PHE A 102 54.127 4.566 5.822 1.00 0.00 C ATOM 202 O PHE A 102 53.989 3.379 5.609 1.00 0.00 O ATOM 203 CB PHE A 102 56.197 5.817 6.509 1.00 0.00 C ATOM 204 CG PHE A 102 56.740 4.631 7.265 1.00 0.00 C ATOM 205 CD1 PHE A 102 55.946 3.990 8.223 1.00 0.00 C ATOM 206 CD2 PHE A 102 58.036 4.170 7.008 1.00 0.00 C ATOM 207 CE1 PHE A 102 56.448 2.887 8.923 1.00 0.00 C ATOM 208 CE2 PHE A 102 58.539 3.069 7.708 1.00 0.00 C ATOM 209 CZ PHE A 102 57.745 2.426 8.666 1.00 0.00 C ATOM 0 H PHE A 102 55.418 7.415 4.904 1.00 0.00 H new ATOM 0 HA PHE A 102 55.922 4.637 4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 102 57.016 6.443 6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.586 6.434 7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 102 54.946 4.347 8.422 1.00 0.00 H new ATOM 0 HD2 PHE A 102 58.648 4.665 6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 102 55.835 2.391 9.661 1.00 0.00 H new ATOM 0 HE2 PHE A 102 59.540 2.714 7.510 1.00 0.00 H new ATOM 0 HZ PHE A 102 58.133 1.575 9.206 1.00 0.00 H new ATOM 219 N ARG A 103 53.230 5.244 6.484 1.00 0.00 N ATOM 220 CA ARG A 103 52.005 4.564 6.994 1.00 0.00 C ATOM 221 C ARG A 103 51.104 4.143 5.830 1.00 0.00 C ATOM 222 O ARG A 103 50.392 3.162 5.908 1.00 0.00 O ATOM 223 CB ARG A 103 51.305 5.609 7.863 1.00 0.00 C ATOM 224 CG ARG A 103 50.883 4.971 9.188 1.00 0.00 C ATOM 225 CD ARG A 103 50.271 6.039 10.099 1.00 0.00 C ATOM 226 NE ARG A 103 51.261 6.222 11.196 1.00 0.00 N ATOM 227 CZ ARG A 103 52.481 6.597 10.919 1.00 0.00 C ATOM 228 NH1 ARG A 103 52.688 7.643 10.166 1.00 0.00 N ATOM 229 NH2 ARG A 103 53.493 5.925 11.397 1.00 0.00 N ATOM 0 H ARG A 103 53.292 6.240 6.694 1.00 0.00 H new ATOM 0 HA ARG A 103 52.240 3.658 7.553 1.00 0.00 H new ATOM 0 HB2 ARG A 103 51.973 6.450 8.049 1.00 0.00 H new ATOM 0 HB3 ARG A 103 50.432 6.004 7.343 1.00 0.00 H new ATOM 0 HG2 ARG A 103 50.160 4.175 9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 103 51.745 4.514 9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 103 50.104 6.971 9.558 1.00 0.00 H new ATOM 0 HD3 ARG A 103 49.305 5.719 10.489 1.00 0.00 H new ATOM 0 HE ARG A 103 50.986 6.054 12.164 1.00 0.00 H new ATOM 0 HH11 ARG A 103 51.897 8.168 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 103 53.641 7.935 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 103 53.330 5.108 11.986 1.00 0.00 H new ATOM 0 HH22 ARG A 103 54.446 6.217 11.181 1.00 0.00 H new ATOM 243 N ILE A 104 51.126 4.879 4.751 1.00 0.00 N ATOM 244 CA ILE A 104 50.266 4.521 3.588 1.00 0.00 C ATOM 245 C ILE A 104 50.566 3.095 3.119 1.00 0.00 C ATOM 246 O ILE A 104 49.676 2.355 2.749 1.00 0.00 O ATOM 247 CB ILE A 104 50.636 5.527 2.500 1.00 0.00 C ATOM 248 CG1 ILE A 104 50.216 6.933 2.938 1.00 0.00 C ATOM 249 CG2 ILE A 104 49.916 5.162 1.202 1.00 0.00 C ATOM 250 CD1 ILE A 104 48.739 6.925 3.334 1.00 0.00 C ATOM 0 H ILE A 104 51.702 5.711 4.626 1.00 0.00 H new ATOM 0 HA ILE A 104 49.205 4.555 3.837 1.00 0.00 H new ATOM 0 HB ILE A 104 51.714 5.504 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 104 50.827 7.261 3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 104 50.382 7.643 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 104 50.180 5.880 0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 104 50.215 4.162 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 104 48.838 5.184 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 104 48.440 7.926 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 104 48.135 6.615 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 104 48.587 6.228 4.158 1.00 0.00 H new ATOM 262 N PHE A 105 51.811 2.702 3.126 1.00 0.00 N ATOM 263 CA PHE A 105 52.155 1.322 2.675 1.00 0.00 C ATOM 264 C PHE A 105 52.004 0.330 3.832 1.00 0.00 C ATOM 265 O PHE A 105 52.023 -0.870 3.638 1.00 0.00 O ATOM 266 CB PHE A 105 53.613 1.404 2.218 1.00 0.00 C ATOM 267 CG PHE A 105 53.662 1.438 0.709 1.00 0.00 C ATOM 268 CD1 PHE A 105 53.615 0.244 -0.019 1.00 0.00 C ATOM 269 CD2 PHE A 105 53.752 2.664 0.039 1.00 0.00 C ATOM 270 CE1 PHE A 105 53.657 0.277 -1.419 1.00 0.00 C ATOM 271 CE2 PHE A 105 53.794 2.697 -1.359 1.00 0.00 C ATOM 272 CZ PHE A 105 53.747 1.503 -2.089 1.00 0.00 C ATOM 0 H PHE A 105 52.602 3.273 3.423 1.00 0.00 H new ATOM 0 HA PHE A 105 51.499 0.974 1.877 1.00 0.00 H new ATOM 0 HB2 PHE A 105 54.085 2.296 2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 105 54.172 0.546 2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 105 53.546 -0.702 0.498 1.00 0.00 H new ATOM 0 HD2 PHE A 105 53.789 3.585 0.602 1.00 0.00 H new ATOM 0 HE1 PHE A 105 53.620 -0.644 -1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 105 53.863 3.643 -1.875 1.00 0.00 H new ATOM 0 HZ PHE A 105 53.780 1.528 -3.168 1.00 0.00 H new ATOM 282 N ASP A 106 51.851 0.816 5.034 1.00 0.00 N ATOM 283 CA ASP A 106 51.693 -0.108 6.195 1.00 0.00 C ATOM 284 C ASP A 106 50.211 -0.399 6.438 1.00 0.00 C ATOM 285 O ASP A 106 49.474 0.436 6.921 1.00 0.00 O ATOM 286 CB ASP A 106 52.298 0.636 7.385 1.00 0.00 C ATOM 287 CG ASP A 106 52.795 -0.376 8.420 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.412 -1.530 8.322 1.00 0.00 O ATOM 289 OD2 ASP A 106 53.551 0.020 9.293 1.00 0.00 O ATOM 0 H ASP A 106 51.829 1.810 5.263 1.00 0.00 H new ATOM 0 HA ASP A 106 52.182 -1.068 6.028 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.122 1.267 7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 106 51.554 1.294 7.833 1.00 0.00 H new ATOM 294 N LYS A 107 49.767 -1.580 6.103 1.00 0.00 N ATOM 295 CA LYS A 107 48.330 -1.924 6.310 1.00 0.00 C ATOM 296 C LYS A 107 48.144 -2.653 7.644 1.00 0.00 C ATOM 297 O LYS A 107 47.037 -2.878 8.089 1.00 0.00 O ATOM 298 CB LYS A 107 47.975 -2.844 5.142 1.00 0.00 C ATOM 299 CG LYS A 107 46.555 -2.536 4.664 1.00 0.00 C ATOM 300 CD LYS A 107 46.566 -2.291 3.153 1.00 0.00 C ATOM 301 CE LYS A 107 47.430 -1.067 2.840 1.00 0.00 C ATOM 302 NZ LYS A 107 46.560 0.104 3.143 1.00 0.00 N ATOM 0 H LYS A 107 50.336 -2.322 5.695 1.00 0.00 H new ATOM 0 HA LYS A 107 47.694 -1.040 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.684 -2.703 4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 107 48.048 -3.887 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 107 45.891 -3.367 4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 107 46.168 -1.659 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 107 46.956 -3.167 2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 107 45.550 -2.134 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 107 48.334 -1.055 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 107 47.748 -1.064 1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 46.463 0.694 2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 45.621 -0.229 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 46.987 0.666 3.907 1.00 0.00 H new ATOM 316 N ASN A 108 49.219 -3.025 8.284 1.00 0.00 N ATOM 317 CA ASN A 108 49.099 -3.740 9.586 1.00 0.00 C ATOM 318 C ASN A 108 49.728 -2.910 10.708 1.00 0.00 C ATOM 319 O ASN A 108 49.889 -3.373 11.820 1.00 0.00 O ATOM 320 CB ASN A 108 49.865 -5.049 9.389 1.00 0.00 C ATOM 321 CG ASN A 108 49.056 -5.983 8.488 1.00 0.00 C ATOM 322 OD1 ASN A 108 47.987 -6.425 8.857 1.00 0.00 O ATOM 323 ND2 ASN A 108 49.523 -6.303 7.311 1.00 0.00 N ATOM 0 H ASN A 108 50.174 -2.865 7.962 1.00 0.00 H new ATOM 0 HA ASN A 108 48.061 -3.914 9.868 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.839 -4.849 8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 108 50.048 -5.524 10.353 1.00 0.00 H new ATOM 0 HD21 ASN A 108 48.990 -6.924 6.702 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.421 -5.932 7.000 1.00 0.00 H new ATOM 330 N ALA A 109 50.083 -1.688 10.426 1.00 0.00 N ATOM 331 CA ALA A 109 50.700 -0.828 11.476 1.00 0.00 C ATOM 332 C ALA A 109 51.748 -1.621 12.263 1.00 0.00 C ATOM 333 O ALA A 109 51.819 -1.543 13.473 1.00 0.00 O ATOM 334 CB ALA A 109 49.540 -0.421 12.387 1.00 0.00 C ATOM 0 H ALA A 109 49.973 -1.246 9.513 1.00 0.00 H new ATOM 0 HA ALA A 109 51.210 0.038 11.053 1.00 0.00 H new ATOM 0 HB1 ALA A 109 49.913 0.216 13.189 1.00 0.00 H new ATOM 0 HB2 ALA A 109 48.796 0.124 11.807 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.083 -1.313 12.815 1.00 0.00 H new ATOM 340 N ASP A 110 52.563 -2.381 11.584 1.00 0.00 N ATOM 341 CA ASP A 110 53.607 -3.176 12.295 1.00 0.00 C ATOM 342 C ASP A 110 54.805 -2.288 12.636 1.00 0.00 C ATOM 343 O ASP A 110 55.573 -2.582 13.531 1.00 0.00 O ATOM 344 CB ASP A 110 54.017 -4.270 11.307 1.00 0.00 C ATOM 345 CG ASP A 110 52.767 -4.885 10.677 1.00 0.00 C ATOM 346 OD1 ASP A 110 51.789 -5.051 11.387 1.00 0.00 O ATOM 347 OD2 ASP A 110 52.810 -5.182 9.494 1.00 0.00 O ATOM 0 H ASP A 110 52.552 -2.487 10.570 1.00 0.00 H new ATOM 0 HA ASP A 110 53.240 -3.592 13.233 1.00 0.00 H new ATOM 0 HB2 ASP A 110 54.659 -3.852 10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 110 54.595 -5.039 11.819 1.00 0.00 H new ATOM 352 N GLY A 111 54.975 -1.205 11.929 1.00 0.00 N ATOM 353 CA GLY A 111 56.125 -0.302 12.213 1.00 0.00 C ATOM 354 C GLY A 111 57.260 -0.595 11.230 1.00 0.00 C ATOM 355 O GLY A 111 58.246 0.114 11.177 1.00 0.00 O ATOM 0 H GLY A 111 54.367 -0.906 11.167 1.00 0.00 H new ATOM 0 HA2 GLY A 111 55.814 0.739 12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.470 -0.446 13.237 1.00 0.00 H new ATOM 359 N PHE A 112 57.131 -1.634 10.451 1.00 0.00 N ATOM 360 CA PHE A 112 58.205 -1.970 9.473 1.00 0.00 C ATOM 361 C PHE A 112 57.612 -2.701 8.265 1.00 0.00 C ATOM 362 O PHE A 112 56.951 -3.712 8.402 1.00 0.00 O ATOM 363 CB PHE A 112 59.157 -2.894 10.233 1.00 0.00 C ATOM 364 CG PHE A 112 59.520 -2.274 11.561 1.00 0.00 C ATOM 365 CD1 PHE A 112 60.454 -1.234 11.618 1.00 0.00 C ATOM 366 CD2 PHE A 112 58.925 -2.745 12.738 1.00 0.00 C ATOM 367 CE1 PHE A 112 60.794 -0.663 12.850 1.00 0.00 C ATOM 368 CE2 PHE A 112 59.265 -2.175 13.971 1.00 0.00 C ATOM 369 CZ PHE A 112 60.200 -1.134 14.027 1.00 0.00 C ATOM 0 H PHE A 112 56.329 -2.264 10.449 1.00 0.00 H new ATOM 0 HA PHE A 112 58.709 -1.081 9.095 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.687 -3.865 10.391 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.058 -3.067 9.644 1.00 0.00 H new ATOM 0 HD1 PHE A 112 60.913 -0.871 10.710 1.00 0.00 H new ATOM 0 HD2 PHE A 112 58.204 -3.548 12.695 1.00 0.00 H new ATOM 0 HE1 PHE A 112 61.514 0.141 12.893 1.00 0.00 H new ATOM 0 HE2 PHE A 112 58.806 -2.538 14.879 1.00 0.00 H new ATOM 0 HZ PHE A 112 60.463 -0.695 14.978 1.00 0.00 H new ATOM 379 N ILE A 113 57.848 -2.200 7.083 1.00 0.00 N ATOM 380 CA ILE A 113 57.302 -2.872 5.869 1.00 0.00 C ATOM 381 C ILE A 113 58.228 -4.014 5.443 1.00 0.00 C ATOM 382 O ILE A 113 59.345 -3.796 5.018 1.00 0.00 O ATOM 383 CB ILE A 113 57.263 -1.783 4.797 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.263 -0.700 5.207 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.833 -2.393 3.462 1.00 0.00 C ATOM 386 CD1 ILE A 113 57.020 0.558 5.637 1.00 0.00 C ATOM 0 H ILE A 113 58.394 -1.357 6.905 1.00 0.00 H new ATOM 0 HA ILE A 113 56.317 -3.306 6.041 1.00 0.00 H new ATOM 0 HB ILE A 113 58.255 -1.343 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.598 -0.470 4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 113 55.638 -1.058 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.806 -1.615 2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 113 57.545 -3.165 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.842 -2.834 3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.307 1.329 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.667 0.322 6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 113 57.626 0.920 4.806 1.00 0.00 H new ATOM 398 N ASP A 114 57.774 -5.233 5.558 1.00 0.00 N ATOM 399 CA ASP A 114 58.629 -6.388 5.165 1.00 0.00 C ATOM 400 C ASP A 114 58.360 -6.781 3.709 1.00 0.00 C ATOM 401 O ASP A 114 57.641 -6.110 2.997 1.00 0.00 O ATOM 402 CB ASP A 114 58.230 -7.522 6.111 1.00 0.00 C ATOM 403 CG ASP A 114 56.716 -7.739 6.052 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.990 -6.759 6.087 1.00 0.00 O ATOM 405 OD2 ASP A 114 56.307 -8.886 5.978 1.00 0.00 O ATOM 0 H ASP A 114 56.848 -5.478 5.907 1.00 0.00 H new ATOM 0 HA ASP A 114 59.691 -6.154 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.749 -8.439 5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.532 -7.281 7.130 1.00 0.00 H new ATOM 410 N ILE A 115 58.937 -7.863 3.263 1.00 0.00 N ATOM 411 CA ILE A 115 58.722 -8.298 1.852 1.00 0.00 C ATOM 412 C ILE A 115 57.282 -8.789 1.654 1.00 0.00 C ATOM 413 O ILE A 115 56.650 -8.495 0.659 1.00 0.00 O ATOM 414 CB ILE A 115 59.716 -9.442 1.638 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.806 -9.767 0.145 1.00 0.00 C ATOM 416 CG2 ILE A 115 59.246 -10.682 2.401 1.00 0.00 C ATOM 417 CD1 ILE A 115 61.277 -9.867 -0.268 1.00 0.00 C ATOM 0 H ILE A 115 59.548 -8.465 3.814 1.00 0.00 H new ATOM 0 HA ILE A 115 58.874 -7.485 1.143 1.00 0.00 H new ATOM 0 HB ILE A 115 60.697 -9.141 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 115 59.294 -10.706 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 115 59.306 -8.993 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.956 -11.495 2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 115 59.183 -10.452 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 115 58.264 -10.983 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 115 61.341 -10.098 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 115 61.775 -8.917 -0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.763 -10.656 0.305 1.00 0.00 H new ATOM 429 N GLU A 116 56.761 -9.535 2.591 1.00 0.00 N ATOM 430 CA GLU A 116 55.365 -10.042 2.448 1.00 0.00 C ATOM 431 C GLU A 116 54.405 -8.879 2.182 1.00 0.00 C ATOM 432 O GLU A 116 53.677 -8.873 1.208 1.00 0.00 O ATOM 433 CB GLU A 116 55.049 -10.709 3.788 1.00 0.00 C ATOM 434 CG GLU A 116 55.344 -12.207 3.698 1.00 0.00 C ATOM 435 CD GLU A 116 56.487 -12.561 4.652 1.00 0.00 C ATOM 436 OE1 GLU A 116 56.299 -12.415 5.849 1.00 0.00 O ATOM 437 OE2 GLU A 116 57.530 -12.972 4.171 1.00 0.00 O ATOM 0 H GLU A 116 57.240 -9.815 3.447 1.00 0.00 H new ATOM 0 HA GLU A 116 55.258 -10.735 1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.646 -10.257 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 116 54.002 -10.549 4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 116 54.453 -12.780 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 116 55.613 -12.475 2.676 1.00 0.00 H new ATOM 444 N GLU A 117 54.398 -7.897 3.040 1.00 0.00 N ATOM 445 CA GLU A 117 53.485 -6.734 2.836 1.00 0.00 C ATOM 446 C GLU A 117 53.536 -6.266 1.379 1.00 0.00 C ATOM 447 O GLU A 117 52.528 -6.175 0.709 1.00 0.00 O ATOM 448 CB GLU A 117 54.017 -5.643 3.766 1.00 0.00 C ATOM 449 CG GLU A 117 53.434 -5.837 5.168 1.00 0.00 C ATOM 450 CD GLU A 117 53.760 -4.616 6.029 1.00 0.00 C ATOM 451 OE1 GLU A 117 53.376 -3.524 5.643 1.00 0.00 O ATOM 452 OE2 GLU A 117 54.388 -4.794 7.060 1.00 0.00 O ATOM 0 H GLU A 117 54.984 -7.848 3.873 1.00 0.00 H new ATOM 0 HA GLU A 117 52.447 -6.985 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 117 55.106 -5.683 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.747 -4.659 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.354 -5.976 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.846 -6.737 5.624 1.00 0.00 H new ATOM 459 N LEU A 118 54.704 -5.964 0.883 1.00 0.00 N ATOM 460 CA LEU A 118 54.816 -5.498 -0.529 1.00 0.00 C ATOM 461 C LEU A 118 54.044 -6.435 -1.462 1.00 0.00 C ATOM 462 O LEU A 118 53.202 -6.009 -2.228 1.00 0.00 O ATOM 463 CB LEU A 118 56.313 -5.545 -0.840 1.00 0.00 C ATOM 464 CG LEU A 118 56.751 -4.218 -1.462 1.00 0.00 C ATOM 465 CD1 LEU A 118 58.227 -3.970 -1.144 1.00 0.00 C ATOM 466 CD2 LEU A 118 56.561 -4.277 -2.979 1.00 0.00 C ATOM 0 H LEU A 118 55.585 -6.019 1.393 1.00 0.00 H new ATOM 0 HA LEU A 118 54.399 -4.501 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 118 56.878 -5.734 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.527 -6.367 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 118 56.148 -3.408 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 118 58.541 -3.025 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 118 58.364 -3.928 -0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 118 58.829 -4.780 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 118 56.873 -3.331 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 118 57.164 -5.087 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 118 55.510 -4.455 -3.207 1.00 0.00 H new ATOM 478 N GLY A 119 54.327 -7.707 -1.408 1.00 0.00 N ATOM 479 CA GLY A 119 53.613 -8.668 -2.293 1.00 0.00 C ATOM 480 C GLY A 119 52.107 -8.402 -2.239 1.00 0.00 C ATOM 481 O GLY A 119 51.537 -7.821 -3.141 1.00 0.00 O ATOM 0 H GLY A 119 55.023 -8.122 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.972 -8.569 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.822 -9.691 -1.979 1.00 0.00 H new ATOM 485 N GLU A 120 51.458 -8.825 -1.189 1.00 0.00 N ATOM 486 CA GLU A 120 49.987 -8.601 -1.079 1.00 0.00 C ATOM 487 C GLU A 120 49.625 -7.184 -1.532 1.00 0.00 C ATOM 488 O GLU A 120 48.710 -6.986 -2.305 1.00 0.00 O ATOM 489 CB GLU A 120 49.666 -8.788 0.404 1.00 0.00 C ATOM 490 CG GLU A 120 50.601 -7.923 1.250 1.00 0.00 C ATOM 491 CD GLU A 120 50.521 -8.365 2.712 1.00 0.00 C ATOM 492 OE1 GLU A 120 49.689 -7.831 3.427 1.00 0.00 O ATOM 493 OE2 GLU A 120 51.293 -9.230 3.092 1.00 0.00 O ATOM 0 H GLU A 120 51.882 -9.316 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 120 49.421 -9.287 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.629 -8.515 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.777 -9.837 0.680 1.00 0.00 H new ATOM 0 HG2 GLU A 120 51.625 -8.013 0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 120 50.323 -6.873 1.161 1.00 0.00 H new ATOM 500 N ILE A 121 50.332 -6.197 -1.055 1.00 0.00 N ATOM 501 CA ILE A 121 50.020 -4.797 -1.461 1.00 0.00 C ATOM 502 C ILE A 121 49.853 -4.717 -2.982 1.00 0.00 C ATOM 503 O ILE A 121 48.840 -4.270 -3.482 1.00 0.00 O ATOM 504 CB ILE A 121 51.220 -3.964 -0.998 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.095 -3.687 0.504 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.246 -2.633 -1.753 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.196 -2.718 0.940 1.00 0.00 C ATOM 0 H ILE A 121 51.110 -6.298 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 121 49.090 -4.436 -1.021 1.00 0.00 H new ATOM 0 HB ILE A 121 52.140 -4.514 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.115 -3.264 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 121 51.174 -4.619 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.101 -2.043 -1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.330 -2.823 -2.823 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.326 -2.083 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.106 -2.522 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.171 -3.158 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.096 -1.782 0.390 1.00 0.00 H new ATOM 519 N LEU A 122 50.839 -5.149 -3.720 1.00 0.00 N ATOM 520 CA LEU A 122 50.734 -5.100 -5.208 1.00 0.00 C ATOM 521 C LEU A 122 49.831 -6.229 -5.712 1.00 0.00 C ATOM 522 O LEU A 122 48.867 -5.998 -6.416 1.00 0.00 O ATOM 523 CB LEU A 122 52.165 -5.291 -5.713 1.00 0.00 C ATOM 524 CG LEU A 122 52.902 -3.951 -5.686 1.00 0.00 C ATOM 525 CD1 LEU A 122 54.359 -4.178 -5.282 1.00 0.00 C ATOM 526 CD2 LEU A 122 52.852 -3.315 -7.077 1.00 0.00 C ATOM 0 H LEU A 122 51.712 -5.533 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 122 50.299 -4.165 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 122 52.687 -6.017 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.153 -5.691 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 122 52.425 -3.288 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 122 54.884 -3.223 -5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 122 54.395 -4.632 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 122 54.837 -4.841 -6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 122 53.377 -2.360 -7.059 1.00 0.00 H new ATOM 0 HD22 LEU A 122 53.330 -3.978 -7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 122 51.814 -3.153 -7.366 1.00 0.00 H new ATOM 538 N ARG A 123 50.132 -7.449 -5.356 1.00 0.00 N ATOM 539 CA ARG A 123 49.287 -8.589 -5.816 1.00 0.00 C ATOM 540 C ARG A 123 47.810 -8.281 -5.556 1.00 0.00 C ATOM 541 O ARG A 123 46.946 -8.632 -6.334 1.00 0.00 O ATOM 542 CB ARG A 123 49.744 -9.785 -4.979 1.00 0.00 C ATOM 543 CG ARG A 123 50.458 -10.796 -5.880 1.00 0.00 C ATOM 544 CD ARG A 123 51.063 -11.910 -5.023 1.00 0.00 C ATOM 545 NE ARG A 123 52.507 -11.563 -4.903 1.00 0.00 N ATOM 546 CZ ARG A 123 53.298 -12.304 -4.176 1.00 0.00 C ATOM 547 NH1 ARG A 123 53.272 -12.208 -2.875 1.00 0.00 N ATOM 548 NH2 ARG A 123 54.118 -13.142 -4.752 1.00 0.00 N ATOM 0 H ARG A 123 50.925 -7.705 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 123 49.391 -8.780 -6.884 1.00 0.00 H new ATOM 0 HB2 ARG A 123 50.413 -9.453 -4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.886 -10.254 -4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 123 49.755 -11.217 -6.599 1.00 0.00 H new ATOM 0 HG3 ARG A 123 51.240 -10.299 -6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 123 50.586 -11.958 -4.044 1.00 0.00 H new ATOM 0 HD3 ARG A 123 50.929 -12.885 -5.491 1.00 0.00 H new ATOM 0 HE ARG A 123 52.877 -10.746 -5.389 1.00 0.00 H new ATOM 0 HH11 ARG A 123 52.633 -11.553 -2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 123 53.891 -12.788 -2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 123 54.140 -13.217 -5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 123 54.737 -13.722 -4.185 1.00 0.00 H new ATOM 562 N ALA A 124 47.517 -7.622 -4.469 1.00 0.00 N ATOM 563 CA ALA A 124 46.099 -7.284 -4.160 1.00 0.00 C ATOM 564 C ALA A 124 45.430 -6.659 -5.385 1.00 0.00 C ATOM 565 O ALA A 124 44.285 -6.929 -5.686 1.00 0.00 O ATOM 566 CB ALA A 124 46.176 -6.272 -3.015 1.00 0.00 C ATOM 0 H ALA A 124 48.199 -7.303 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 124 45.512 -8.161 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.169 -5.971 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.677 -6.727 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 124 46.737 -5.396 -3.341 1.00 0.00 H new ATOM 572 N THR A 125 46.139 -5.824 -6.096 1.00 0.00 N ATOM 573 CA THR A 125 45.546 -5.182 -7.304 1.00 0.00 C ATOM 574 C THR A 125 45.283 -6.235 -8.385 1.00 0.00 C ATOM 575 O THR A 125 44.287 -6.188 -9.082 1.00 0.00 O ATOM 576 CB THR A 125 46.599 -4.178 -7.776 1.00 0.00 C ATOM 577 OG1 THR A 125 47.770 -4.876 -8.176 1.00 0.00 O ATOM 578 CG2 THR A 125 46.939 -3.218 -6.635 1.00 0.00 C ATOM 0 H THR A 125 47.103 -5.559 -5.893 1.00 0.00 H new ATOM 0 HA THR A 125 44.592 -4.700 -7.091 1.00 0.00 H new ATOM 0 HB THR A 125 46.208 -3.610 -8.620 1.00 0.00 H new ATOM 0 HG1 THR A 125 48.366 -4.984 -7.405 1.00 0.00 H new ATOM 0 HG21 THR A 125 47.689 -2.503 -6.972 1.00 0.00 H new ATOM 0 HG22 THR A 125 46.040 -2.683 -6.329 1.00 0.00 H new ATOM 0 HG23 THR A 125 47.330 -3.783 -5.789 1.00 0.00 H new ATOM 586 N GLY A 126 46.166 -7.184 -8.529 1.00 0.00 N ATOM 587 CA GLY A 126 45.965 -8.239 -9.563 1.00 0.00 C ATOM 588 C GLY A 126 46.893 -7.975 -10.750 1.00 0.00 C ATOM 589 O GLY A 126 46.565 -8.266 -11.884 1.00 0.00 O ATOM 0 H GLY A 126 47.018 -7.275 -7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 126 46.170 -9.222 -9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 126 44.927 -8.245 -9.894 1.00 0.00 H new ATOM 593 N GLU A 127 48.049 -7.427 -10.501 1.00 0.00 N ATOM 594 CA GLU A 127 48.997 -7.145 -11.616 1.00 0.00 C ATOM 595 C GLU A 127 50.028 -8.271 -11.735 1.00 0.00 C ATOM 596 O GLU A 127 50.972 -8.182 -12.494 1.00 0.00 O ATOM 597 CB GLU A 127 49.678 -5.832 -11.234 1.00 0.00 C ATOM 598 CG GLU A 127 48.716 -4.667 -11.477 1.00 0.00 C ATOM 599 CD GLU A 127 48.959 -4.087 -12.871 1.00 0.00 C ATOM 600 OE1 GLU A 127 50.105 -3.809 -13.183 1.00 0.00 O ATOM 601 OE2 GLU A 127 47.995 -3.927 -13.602 1.00 0.00 O ATOM 0 H GLU A 127 48.379 -7.162 -9.573 1.00 0.00 H new ATOM 0 HA GLU A 127 48.492 -7.077 -12.579 1.00 0.00 H new ATOM 0 HB2 GLU A 127 49.978 -5.857 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 127 50.586 -5.696 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 127 47.685 -5.009 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 127 48.863 -3.896 -10.720 1.00 0.00 H new ATOM 608 N HIS A 128 49.856 -9.329 -10.989 1.00 0.00 N ATOM 609 CA HIS A 128 50.829 -10.456 -11.061 1.00 0.00 C ATOM 610 C HIS A 128 52.260 -9.912 -11.083 1.00 0.00 C ATOM 611 O HIS A 128 52.930 -9.939 -12.097 1.00 0.00 O ATOM 612 CB HIS A 128 50.511 -11.174 -12.374 1.00 0.00 C ATOM 613 CG HIS A 128 49.133 -11.773 -12.299 1.00 0.00 C ATOM 614 ND1 HIS A 128 47.912 -11.231 -11.983 1.00 0.00 N flip ATOM 615 CD2 HIS A 128 48.893 -13.110 -12.575 1.00 0.00 C flip ATOM 616 CE1 HIS A 128 46.929 -12.214 -12.060 1.00 0.00 C flip ATOM 617 NE2 HIS A 128 47.574 -13.326 -12.420 1.00 0.00 N flip ATOM 0 H HIS A 128 49.085 -9.461 -10.334 1.00 0.00 H new ATOM 0 HA HIS A 128 50.752 -11.124 -10.203 1.00 0.00 H new ATOM 0 HB2 HIS A 128 50.569 -10.473 -13.207 1.00 0.00 H new ATOM 0 HB3 HIS A 128 51.248 -11.954 -12.562 1.00 0.00 H new ATOM 0 HD2 HIS A 128 49.631 -13.845 -12.862 1.00 0.00 H new ATOM 0 HE1 HIS A 128 45.872 -12.101 -11.869 1.00 0.00 H new ATOM 0 HE2 HIS A 128 47.122 -14.229 -12.560 1.00 0.00 H new ATOM 625 N VAL A 129 52.732 -9.414 -9.973 1.00 0.00 N ATOM 626 CA VAL A 129 54.119 -8.864 -9.930 1.00 0.00 C ATOM 627 C VAL A 129 55.119 -9.969 -9.581 1.00 0.00 C ATOM 628 O VAL A 129 54.779 -10.955 -8.958 1.00 0.00 O ATOM 629 CB VAL A 129 54.088 -7.803 -8.831 1.00 0.00 C ATOM 630 CG1 VAL A 129 55.468 -7.158 -8.705 1.00 0.00 C ATOM 631 CG2 VAL A 129 53.056 -6.731 -9.189 1.00 0.00 C ATOM 0 H VAL A 129 52.218 -9.364 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 129 54.428 -8.450 -10.890 1.00 0.00 H new ATOM 0 HB VAL A 129 53.817 -8.269 -7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 129 55.446 -6.401 -7.921 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.204 -7.921 -8.452 1.00 0.00 H new ATOM 0 HG13 VAL A 129 55.739 -6.691 -9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 129 53.032 -5.973 -8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 129 53.328 -6.266 -10.136 1.00 0.00 H new ATOM 0 HG23 VAL A 129 52.071 -7.190 -9.280 1.00 0.00 H new ATOM 641 N ILE A 130 56.353 -9.811 -9.978 1.00 0.00 N ATOM 642 CA ILE A 130 57.376 -10.850 -9.668 1.00 0.00 C ATOM 643 C ILE A 130 58.271 -10.383 -8.517 1.00 0.00 C ATOM 644 O ILE A 130 58.564 -9.211 -8.382 1.00 0.00 O ATOM 645 CB ILE A 130 58.189 -11.009 -10.953 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.971 -9.722 -11.229 1.00 0.00 C ATOM 647 CG2 ILE A 130 57.245 -11.293 -12.123 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.710 -9.851 -12.561 1.00 0.00 C ATOM 0 H ILE A 130 56.697 -9.007 -10.504 1.00 0.00 H new ATOM 0 HA ILE A 130 56.925 -11.792 -9.357 1.00 0.00 H new ATOM 0 HB ILE A 130 58.887 -11.839 -10.839 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.292 -8.870 -11.259 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.681 -9.535 -10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 130 57.825 -11.406 -13.039 1.00 0.00 H new ATOM 0 HG22 ILE A 130 56.691 -12.211 -11.929 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.546 -10.464 -12.236 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.267 -8.935 -12.758 1.00 0.00 H new ATOM 0 HD12 ILE A 130 60.401 -10.693 -12.514 1.00 0.00 H new ATOM 0 HD13 ILE A 130 58.990 -10.017 -13.362 1.00 0.00 H new ATOM 660 N GLU A 131 58.706 -11.289 -7.687 1.00 0.00 N ATOM 661 CA GLU A 131 59.582 -10.898 -6.545 1.00 0.00 C ATOM 662 C GLU A 131 60.740 -10.024 -7.036 1.00 0.00 C ATOM 663 O GLU A 131 61.108 -9.056 -6.401 1.00 0.00 O ATOM 664 CB GLU A 131 60.105 -12.217 -5.977 1.00 0.00 C ATOM 665 CG GLU A 131 59.401 -12.518 -4.652 1.00 0.00 C ATOM 666 CD GLU A 131 60.203 -13.559 -3.870 1.00 0.00 C ATOM 667 OE1 GLU A 131 60.589 -14.551 -4.467 1.00 0.00 O ATOM 668 OE2 GLU A 131 60.417 -13.347 -2.688 1.00 0.00 O ATOM 0 H GLU A 131 58.493 -12.285 -7.749 1.00 0.00 H new ATOM 0 HA GLU A 131 59.046 -10.316 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 131 59.929 -13.026 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 131 61.182 -12.157 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 131 59.302 -11.605 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 131 58.393 -12.887 -4.840 1.00 0.00 H new ATOM 675 N GLU A 132 61.318 -10.360 -8.158 1.00 0.00 N ATOM 676 CA GLU A 132 62.455 -9.549 -8.686 1.00 0.00 C ATOM 677 C GLU A 132 62.170 -8.055 -8.511 1.00 0.00 C ATOM 678 O GLU A 132 63.065 -7.266 -8.282 1.00 0.00 O ATOM 679 CB GLU A 132 62.545 -9.904 -10.169 1.00 0.00 C ATOM 680 CG GLU A 132 64.016 -10.009 -10.577 1.00 0.00 C ATOM 681 CD GLU A 132 64.599 -8.606 -10.754 1.00 0.00 C ATOM 682 OE1 GLU A 132 63.864 -7.729 -11.177 1.00 0.00 O ATOM 683 OE2 GLU A 132 65.771 -8.432 -10.464 1.00 0.00 O ATOM 0 H GLU A 132 61.053 -11.160 -8.732 1.00 0.00 H new ATOM 0 HA GLU A 132 63.386 -9.759 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 132 62.035 -10.848 -10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.043 -9.144 -10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 132 64.577 -10.554 -9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 132 64.107 -10.572 -11.506 1.00 0.00 H new ATOM 690 N ASP A 133 60.930 -7.663 -8.610 1.00 0.00 N ATOM 691 CA ASP A 133 60.591 -6.223 -8.440 1.00 0.00 C ATOM 692 C ASP A 133 60.419 -5.914 -6.955 1.00 0.00 C ATOM 693 O ASP A 133 60.919 -4.929 -6.448 1.00 0.00 O ATOM 694 CB ASP A 133 59.271 -6.038 -9.189 1.00 0.00 C ATOM 695 CG ASP A 133 59.487 -5.105 -10.382 1.00 0.00 C ATOM 696 OD1 ASP A 133 60.154 -5.515 -11.317 1.00 0.00 O ATOM 697 OD2 ASP A 133 58.980 -3.996 -10.339 1.00 0.00 O ATOM 0 H ASP A 133 60.138 -8.277 -8.801 1.00 0.00 H new ATOM 0 HA ASP A 133 61.365 -5.557 -8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 133 58.897 -7.003 -9.531 1.00 0.00 H new ATOM 0 HB3 ASP A 133 58.517 -5.622 -8.521 1.00 0.00 H new ATOM 702 N ILE A 134 59.722 -6.763 -6.252 1.00 0.00 N ATOM 703 CA ILE A 134 59.522 -6.540 -4.795 1.00 0.00 C ATOM 704 C ILE A 134 60.861 -6.646 -4.064 1.00 0.00 C ATOM 705 O ILE A 134 61.145 -5.902 -3.147 1.00 0.00 O ATOM 706 CB ILE A 134 58.586 -7.660 -4.358 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.305 -7.589 -5.193 1.00 0.00 C ATOM 708 CG2 ILE A 134 58.253 -7.494 -2.874 1.00 0.00 C ATOM 709 CD1 ILE A 134 56.291 -8.596 -4.656 1.00 0.00 C ATOM 0 H ILE A 134 59.282 -7.604 -6.626 1.00 0.00 H new ATOM 0 HA ILE A 134 59.113 -5.554 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 134 59.065 -8.628 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.889 -6.582 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.527 -7.803 -6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.583 -8.295 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 134 59.171 -7.538 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.767 -6.531 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.379 -8.546 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.709 -9.601 -4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 134 56.060 -8.361 -3.617 1.00 0.00 H new ATOM 721 N GLU A 135 61.687 -7.571 -4.472 1.00 0.00 N ATOM 722 CA GLU A 135 63.014 -7.737 -3.813 1.00 0.00 C ATOM 723 C GLU A 135 63.801 -6.425 -3.867 1.00 0.00 C ATOM 724 O GLU A 135 64.309 -5.951 -2.869 1.00 0.00 O ATOM 725 CB GLU A 135 63.726 -8.818 -4.628 1.00 0.00 C ATOM 726 CG GLU A 135 62.886 -10.098 -4.625 1.00 0.00 C ATOM 727 CD GLU A 135 63.372 -11.024 -3.508 1.00 0.00 C ATOM 728 OE1 GLU A 135 64.047 -10.539 -2.616 1.00 0.00 O ATOM 729 OE2 GLU A 135 63.059 -12.202 -3.564 1.00 0.00 O ATOM 0 H GLU A 135 61.499 -8.221 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 135 62.921 -8.009 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 135 63.880 -8.474 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.711 -9.016 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 135 61.834 -9.855 -4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 135 62.966 -10.600 -5.589 1.00 0.00 H new ATOM 736 N ASP A 136 63.909 -5.835 -5.026 1.00 0.00 N ATOM 737 CA ASP A 136 64.666 -4.556 -5.146 1.00 0.00 C ATOM 738 C ASP A 136 64.235 -3.576 -4.052 1.00 0.00 C ATOM 739 O ASP A 136 65.045 -3.076 -3.298 1.00 0.00 O ATOM 740 CB ASP A 136 64.301 -4.010 -6.527 1.00 0.00 C ATOM 741 CG ASP A 136 65.313 -2.937 -6.935 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.469 -3.282 -7.118 1.00 0.00 O ATOM 743 OD2 ASP A 136 64.915 -1.790 -7.057 1.00 0.00 O ATOM 0 H ASP A 136 63.506 -6.183 -5.896 1.00 0.00 H new ATOM 0 HA ASP A 136 65.740 -4.702 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.296 -4.817 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.296 -3.589 -6.509 1.00 0.00 H new ATOM 748 N LEU A 137 62.964 -3.296 -3.962 1.00 0.00 N ATOM 749 CA LEU A 137 62.482 -2.346 -2.919 1.00 0.00 C ATOM 750 C LEU A 137 63.060 -2.715 -1.549 1.00 0.00 C ATOM 751 O LEU A 137 63.640 -1.893 -0.868 1.00 0.00 O ATOM 752 CB LEU A 137 60.960 -2.501 -2.915 1.00 0.00 C ATOM 753 CG LEU A 137 60.386 -1.977 -4.231 1.00 0.00 C ATOM 754 CD1 LEU A 137 58.971 -2.525 -4.426 1.00 0.00 C ATOM 755 CD2 LEU A 137 60.339 -0.448 -4.193 1.00 0.00 C ATOM 0 H LEU A 137 62.238 -3.684 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 137 62.790 -1.321 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.692 -3.549 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.531 -1.953 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 137 61.018 -2.302 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 137 58.562 -2.151 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 137 59.003 -3.614 -4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 137 58.338 -2.201 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 137 59.930 -0.073 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 137 59.707 -0.124 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 137 61.347 -0.056 -4.055 1.00 0.00 H new ATOM 767 N MET A 138 62.898 -3.943 -1.138 1.00 0.00 N ATOM 768 CA MET A 138 63.430 -4.363 0.190 1.00 0.00 C ATOM 769 C MET A 138 64.958 -4.433 0.155 1.00 0.00 C ATOM 770 O MET A 138 65.634 -3.891 1.009 1.00 0.00 O ATOM 771 CB MET A 138 62.836 -5.750 0.429 1.00 0.00 C ATOM 772 CG MET A 138 63.479 -6.378 1.667 1.00 0.00 C ATOM 773 SD MET A 138 62.184 -6.934 2.802 1.00 0.00 S ATOM 774 CE MET A 138 61.645 -5.297 3.358 1.00 0.00 C ATOM 0 H MET A 138 62.420 -4.674 -1.665 1.00 0.00 H new ATOM 0 HA MET A 138 63.166 -3.661 0.981 1.00 0.00 H new ATOM 0 HB2 MET A 138 61.757 -5.676 0.565 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.005 -6.384 -0.442 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.108 -7.219 1.376 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.125 -5.653 2.162 1.00 0.00 H new ATOM 0 HE1 MET A 138 61.239 -5.371 4.367 1.00 0.00 H new ATOM 0 HE2 MET A 138 62.495 -4.615 3.358 1.00 0.00 H new ATOM 0 HE3 MET A 138 60.876 -4.919 2.684 1.00 0.00 H new ATOM 784 N LYS A 139 65.509 -5.098 -0.821 1.00 0.00 N ATOM 785 CA LYS A 139 66.993 -5.207 -0.908 1.00 0.00 C ATOM 786 C LYS A 139 67.630 -3.815 -0.941 1.00 0.00 C ATOM 787 O LYS A 139 68.659 -3.578 -0.338 1.00 0.00 O ATOM 788 CB LYS A 139 67.261 -5.953 -2.216 1.00 0.00 C ATOM 789 CG LYS A 139 67.375 -7.453 -1.934 1.00 0.00 C ATOM 790 CD LYS A 139 67.704 -8.193 -3.233 1.00 0.00 C ATOM 791 CE LYS A 139 67.852 -9.689 -2.945 1.00 0.00 C ATOM 792 NZ LYS A 139 69.315 -9.957 -3.046 1.00 0.00 N ATOM 0 H LYS A 139 64.995 -5.572 -1.564 1.00 0.00 H new ATOM 0 HA LYS A 139 67.418 -5.726 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 139 66.455 -5.766 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 139 68.180 -5.587 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 139 68.152 -7.636 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 139 66.440 -7.827 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 139 66.915 -8.029 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 139 68.626 -7.802 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 139 67.472 -9.940 -1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 139 67.290 -10.287 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 69.497 -10.964 -2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 69.647 -9.715 -4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 69.823 -9.379 -2.346 1.00 0.00 H new ATOM 806 N ASP A 140 67.031 -2.893 -1.643 1.00 0.00 N ATOM 807 CA ASP A 140 67.606 -1.519 -1.719 1.00 0.00 C ATOM 808 C ASP A 140 67.370 -0.763 -0.408 1.00 0.00 C ATOM 809 O ASP A 140 68.229 -0.050 0.071 1.00 0.00 O ATOM 810 CB ASP A 140 66.859 -0.842 -2.868 1.00 0.00 C ATOM 811 CG ASP A 140 67.404 0.572 -3.070 1.00 0.00 C ATOM 812 OD1 ASP A 140 68.605 0.705 -3.237 1.00 0.00 O ATOM 813 OD2 ASP A 140 66.612 1.499 -3.052 1.00 0.00 O ATOM 0 H ASP A 140 66.167 -3.031 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 140 68.684 -1.535 -1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.976 -1.422 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 140 65.792 -0.804 -2.649 1.00 0.00 H new ATOM 818 N SER A 141 66.209 -0.907 0.171 1.00 0.00 N ATOM 819 CA SER A 141 65.919 -0.189 1.447 1.00 0.00 C ATOM 820 C SER A 141 66.459 -0.974 2.642 1.00 0.00 C ATOM 821 O SER A 141 67.168 -0.446 3.475 1.00 0.00 O ATOM 822 CB SER A 141 64.396 -0.112 1.522 1.00 0.00 C ATOM 823 OG SER A 141 64.017 1.116 2.129 1.00 0.00 O ATOM 0 H SER A 141 65.450 -1.489 -0.183 1.00 0.00 H new ATOM 0 HA SER A 141 66.388 0.795 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 141 63.967 -0.184 0.523 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.006 -0.951 2.098 1.00 0.00 H new ATOM 0 HG SER A 141 64.732 1.775 2.007 1.00 0.00 H new ATOM 829 N ASP A 142 66.115 -2.228 2.739 1.00 0.00 N ATOM 830 CA ASP A 142 66.591 -3.052 3.886 1.00 0.00 C ATOM 831 C ASP A 142 68.089 -2.849 4.123 1.00 0.00 C ATOM 832 O ASP A 142 68.913 -3.568 3.592 1.00 0.00 O ATOM 833 CB ASP A 142 66.306 -4.497 3.478 1.00 0.00 C ATOM 834 CG ASP A 142 66.299 -5.386 4.723 1.00 0.00 C ATOM 835 OD1 ASP A 142 66.592 -4.877 5.792 1.00 0.00 O ATOM 836 OD2 ASP A 142 65.999 -6.560 4.585 1.00 0.00 O ATOM 0 H ASP A 142 65.522 -2.720 2.070 1.00 0.00 H new ATOM 0 HA ASP A 142 66.092 -2.778 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 142 65.345 -4.559 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.063 -4.844 2.775 1.00 0.00 H new ATOM 841 N LYS A 143 68.449 -1.888 4.928 1.00 0.00 N ATOM 842 CA LYS A 143 69.894 -1.659 5.208 1.00 0.00 C ATOM 843 C LYS A 143 70.385 -2.704 6.210 1.00 0.00 C ATOM 844 O LYS A 143 71.555 -3.021 6.274 1.00 0.00 O ATOM 845 CB LYS A 143 69.972 -0.255 5.808 1.00 0.00 C ATOM 846 CG LYS A 143 71.439 0.123 6.020 1.00 0.00 C ATOM 847 CD LYS A 143 71.534 1.585 6.460 1.00 0.00 C ATOM 848 CE LYS A 143 72.695 1.746 7.445 1.00 0.00 C ATOM 849 NZ LYS A 143 73.076 3.182 7.359 1.00 0.00 N ATOM 0 H LYS A 143 67.807 -1.253 5.403 1.00 0.00 H new ATOM 0 HA LYS A 143 70.514 -1.743 4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.492 0.464 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 143 69.435 -0.222 6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.886 -0.524 6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 143 72.001 -0.027 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 143 71.687 2.228 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 143 70.600 1.897 6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 143 72.394 1.477 8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 143 73.531 1.099 7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 73.867 3.371 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 73.365 3.407 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 72.263 3.773 7.624 1.00 0.00 H new ATOM 863 N ASN A 144 69.486 -3.247 6.985 1.00 0.00 N ATOM 864 CA ASN A 144 69.879 -4.284 7.981 1.00 0.00 C ATOM 865 C ASN A 144 69.569 -5.676 7.424 1.00 0.00 C ATOM 866 O ASN A 144 69.899 -6.684 8.018 1.00 0.00 O ATOM 867 CB ASN A 144 69.022 -3.999 9.217 1.00 0.00 C ATOM 868 CG ASN A 144 68.983 -2.492 9.483 1.00 0.00 C ATOM 869 OD1 ASN A 144 70.011 -1.849 9.554 1.00 0.00 O ATOM 870 ND2 ASN A 144 67.831 -1.898 9.635 1.00 0.00 N ATOM 0 H ASN A 144 68.493 -3.016 6.971 1.00 0.00 H new ATOM 0 HA ASN A 144 70.943 -4.256 8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 144 68.011 -4.377 9.065 1.00 0.00 H new ATOM 0 HB3 ASN A 144 69.431 -4.520 10.083 1.00 0.00 H new ATOM 0 HD21 ASN A 144 67.794 -0.894 9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 144 66.967 -2.437 9.575 1.00 0.00 H new ATOM 877 N ASN A 145 68.937 -5.736 6.282 1.00 0.00 N ATOM 878 CA ASN A 145 68.603 -7.054 5.676 1.00 0.00 C ATOM 879 C ASN A 145 67.707 -7.864 6.617 1.00 0.00 C ATOM 880 O ASN A 145 67.669 -9.077 6.562 1.00 0.00 O ATOM 881 CB ASN A 145 69.947 -7.748 5.482 1.00 0.00 C ATOM 882 CG ASN A 145 70.337 -7.699 4.005 1.00 0.00 C ATOM 883 OD1 ASN A 145 70.031 -6.745 3.315 1.00 0.00 O ATOM 884 ND2 ASN A 145 71.004 -8.692 3.483 1.00 0.00 N ATOM 0 H ASN A 145 68.637 -4.924 5.742 1.00 0.00 H new ATOM 0 HA ASN A 145 68.057 -6.951 4.738 1.00 0.00 H new ATOM 0 HB2 ASN A 145 70.711 -7.260 6.087 1.00 0.00 H new ATOM 0 HB3 ASN A 145 69.886 -8.783 5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 145 71.268 -8.667 2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 145 71.261 -9.493 4.060 1.00 0.00 H new ATOM 891 N ASP A 146 66.982 -7.204 7.477 1.00 0.00 N ATOM 892 CA ASP A 146 66.086 -7.939 8.415 1.00 0.00 C ATOM 893 C ASP A 146 64.742 -8.226 7.741 1.00 0.00 C ATOM 894 O ASP A 146 63.841 -8.777 8.342 1.00 0.00 O ATOM 895 CB ASP A 146 65.900 -6.997 9.605 1.00 0.00 C ATOM 896 CG ASP A 146 65.308 -5.672 9.123 1.00 0.00 C ATOM 897 OD1 ASP A 146 64.534 -5.700 8.179 1.00 0.00 O ATOM 898 OD2 ASP A 146 65.638 -4.652 9.704 1.00 0.00 O ATOM 0 H ASP A 146 66.971 -6.188 7.571 1.00 0.00 H new ATOM 0 HA ASP A 146 66.502 -8.900 8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.241 -7.454 10.344 1.00 0.00 H new ATOM 0 HB3 ASP A 146 66.857 -6.822 10.096 1.00 0.00 H new ATOM 903 N GLY A 147 64.601 -7.856 6.496 1.00 0.00 N ATOM 904 CA GLY A 147 63.315 -8.108 5.784 1.00 0.00 C ATOM 905 C GLY A 147 62.262 -7.100 6.251 1.00 0.00 C ATOM 906 O GLY A 147 61.105 -7.431 6.417 1.00 0.00 O ATOM 0 H GLY A 147 65.320 -7.391 5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 147 63.461 -8.023 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 147 62.972 -9.124 5.980 1.00 0.00 H new ATOM 910 N ARG A 148 62.652 -5.872 6.466 1.00 0.00 N ATOM 911 CA ARG A 148 61.667 -4.847 6.924 1.00 0.00 C ATOM 912 C ARG A 148 62.181 -3.435 6.620 1.00 0.00 C ATOM 913 O ARG A 148 63.321 -3.108 6.886 1.00 0.00 O ATOM 914 CB ARG A 148 61.546 -5.065 8.432 1.00 0.00 C ATOM 915 CG ARG A 148 60.304 -5.910 8.724 1.00 0.00 C ATOM 916 CD ARG A 148 60.054 -5.945 10.234 1.00 0.00 C ATOM 917 NE ARG A 148 60.811 -7.132 10.720 1.00 0.00 N ATOM 918 CZ ARG A 148 60.933 -7.351 12.002 1.00 0.00 C ATOM 919 NH1 ARG A 148 60.526 -6.455 12.861 1.00 0.00 N ATOM 920 NH2 ARG A 148 61.463 -8.466 12.425 1.00 0.00 N ATOM 0 H ARG A 148 63.607 -5.534 6.345 1.00 0.00 H new ATOM 0 HA ARG A 148 60.706 -4.944 6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.437 -5.565 8.811 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.476 -4.106 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 148 59.438 -5.492 8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 148 60.442 -6.922 8.344 1.00 0.00 H new ATOM 0 HD2 ARG A 148 60.403 -5.030 10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 148 58.991 -6.036 10.457 1.00 0.00 H new ATOM 0 HE ARG A 148 61.235 -7.775 10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 148 60.112 -5.583 12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 148 60.622 -6.627 13.862 1.00 0.00 H new ATOM 0 HH21 ARG A 148 61.782 -9.166 11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 148 61.559 -8.638 13.426 1.00 0.00 H new ATOM 934 N ILE A 149 61.346 -2.595 6.068 1.00 0.00 N ATOM 935 CA ILE A 149 61.783 -1.202 5.750 1.00 0.00 C ATOM 936 C ILE A 149 61.335 -0.243 6.860 1.00 0.00 C ATOM 937 O ILE A 149 60.167 -0.151 7.179 1.00 0.00 O ATOM 938 CB ILE A 149 61.087 -0.866 4.427 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.876 -1.472 3.267 1.00 0.00 C ATOM 940 CG2 ILE A 149 61.013 0.653 4.246 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.937 -2.298 2.387 1.00 0.00 C ATOM 0 H ILE A 149 60.380 -2.812 5.823 1.00 0.00 H new ATOM 0 HA ILE A 149 62.866 -1.110 5.674 1.00 0.00 H new ATOM 0 HB ILE A 149 60.078 -1.277 4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.342 -0.682 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.680 -2.101 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.517 0.883 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.448 1.090 5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 149 62.021 1.068 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.500 -2.730 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.492 -3.097 2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.149 -1.656 1.993 1.00 0.00 H new ATOM 953 N ASP A 150 62.255 0.475 7.446 1.00 0.00 N ATOM 954 CA ASP A 150 61.879 1.429 8.531 1.00 0.00 C ATOM 955 C ASP A 150 61.934 2.867 8.009 1.00 0.00 C ATOM 956 O ASP A 150 62.141 3.103 6.835 1.00 0.00 O ATOM 957 CB ASP A 150 62.923 1.215 9.627 1.00 0.00 C ATOM 958 CG ASP A 150 64.320 1.474 9.059 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.497 2.501 8.424 1.00 0.00 O ATOM 960 OD2 ASP A 150 65.187 0.643 9.269 1.00 0.00 O ATOM 0 H ASP A 150 63.249 0.443 7.221 1.00 0.00 H new ATOM 0 HA ASP A 150 60.866 1.262 8.897 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.729 1.885 10.464 1.00 0.00 H new ATOM 0 HB3 ASP A 150 62.858 0.197 10.012 1.00 0.00 H new ATOM 965 N PHE A 151 61.750 3.831 8.869 1.00 0.00 N ATOM 966 CA PHE A 151 61.794 5.251 8.414 1.00 0.00 C ATOM 967 C PHE A 151 63.138 5.547 7.744 1.00 0.00 C ATOM 968 O PHE A 151 63.198 6.183 6.710 1.00 0.00 O ATOM 969 CB PHE A 151 61.631 6.083 9.686 1.00 0.00 C ATOM 970 CG PHE A 151 62.805 5.841 10.603 1.00 0.00 C ATOM 971 CD1 PHE A 151 63.948 6.644 10.503 1.00 0.00 C ATOM 972 CD2 PHE A 151 62.753 4.813 11.552 1.00 0.00 C ATOM 973 CE1 PHE A 151 65.037 6.420 11.353 1.00 0.00 C ATOM 974 CE2 PHE A 151 63.842 4.589 12.402 1.00 0.00 C ATOM 975 CZ PHE A 151 64.985 5.392 12.302 1.00 0.00 C ATOM 0 H PHE A 151 61.572 3.698 9.864 1.00 0.00 H new ATOM 0 HA PHE A 151 61.018 5.475 7.682 1.00 0.00 H new ATOM 0 HB2 PHE A 151 61.565 7.142 9.434 1.00 0.00 H new ATOM 0 HB3 PHE A 151 60.702 5.817 10.190 1.00 0.00 H new ATOM 0 HD1 PHE A 151 63.989 7.436 9.770 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.872 4.193 11.628 1.00 0.00 H new ATOM 0 HE1 PHE A 151 65.918 7.040 11.277 1.00 0.00 H new ATOM 0 HE2 PHE A 151 63.801 3.797 13.135 1.00 0.00 H new ATOM 0 HZ PHE A 151 65.826 5.218 12.957 1.00 0.00 H new ATOM 985 N ASP A 152 64.214 5.089 8.321 1.00 0.00 N ATOM 986 CA ASP A 152 65.550 5.344 7.710 1.00 0.00 C ATOM 987 C ASP A 152 65.640 4.661 6.343 1.00 0.00 C ATOM 988 O ASP A 152 65.990 5.274 5.354 1.00 0.00 O ATOM 989 CB ASP A 152 66.558 4.732 8.685 1.00 0.00 C ATOM 990 CG ASP A 152 67.450 5.834 9.258 1.00 0.00 C ATOM 991 OD1 ASP A 152 67.872 6.686 8.493 1.00 0.00 O ATOM 992 OD2 ASP A 152 67.694 5.810 10.454 1.00 0.00 O ATOM 0 H ASP A 152 64.227 4.550 9.187 1.00 0.00 H new ATOM 0 HA ASP A 152 65.736 6.406 7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.034 4.218 9.491 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.167 3.986 8.174 1.00 0.00 H new ATOM 997 N GLU A 153 65.325 3.396 6.281 1.00 0.00 N ATOM 998 CA GLU A 153 65.389 2.676 4.977 1.00 0.00 C ATOM 999 C GLU A 153 64.352 3.251 4.007 1.00 0.00 C ATOM 1000 O GLU A 153 64.668 3.622 2.894 1.00 0.00 O ATOM 1001 CB GLU A 153 65.064 1.219 5.310 1.00 0.00 C ATOM 1002 CG GLU A 153 66.041 0.707 6.371 1.00 0.00 C ATOM 1003 CD GLU A 153 65.758 -0.769 6.656 1.00 0.00 C ATOM 1004 OE1 GLU A 153 64.618 -1.088 6.951 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.688 -1.556 6.577 1.00 0.00 O ATOM 0 H GLU A 153 65.026 2.830 7.076 1.00 0.00 H new ATOM 0 HA GLU A 153 66.363 2.775 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.040 1.138 5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.132 0.606 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.067 0.831 6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 153 65.940 1.291 7.286 1.00 0.00 H new ATOM 1012 N PHE A 154 63.116 3.331 4.422 1.00 0.00 N ATOM 1013 CA PHE A 154 62.064 3.887 3.521 1.00 0.00 C ATOM 1014 C PHE A 154 62.560 5.183 2.876 1.00 0.00 C ATOM 1015 O PHE A 154 62.611 5.305 1.668 1.00 0.00 O ATOM 1016 CB PHE A 154 60.866 4.162 4.432 1.00 0.00 C ATOM 1017 CG PHE A 154 59.623 4.369 3.596 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.374 3.545 2.491 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.719 5.386 3.928 1.00 0.00 C ATOM 1020 CE1 PHE A 154 58.221 3.738 1.721 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.567 5.578 3.156 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.318 4.754 2.053 1.00 0.00 C ATOM 0 H PHE A 154 62.790 3.037 5.342 1.00 0.00 H new ATOM 0 HA PHE A 154 61.808 3.205 2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.719 3.327 5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 154 61.056 5.045 5.042 1.00 0.00 H new ATOM 0 HD1 PHE A 154 60.071 2.761 2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 154 58.911 6.022 4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 154 58.028 3.102 0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 154 56.870 6.362 3.412 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.429 4.902 1.458 1.00 0.00 H new ATOM 1032 N LEU A 155 62.931 6.148 3.671 1.00 0.00 N ATOM 1033 CA LEU A 155 63.429 7.432 3.099 1.00 0.00 C ATOM 1034 C LEU A 155 64.419 7.148 1.967 1.00 0.00 C ATOM 1035 O LEU A 155 64.186 7.487 0.824 1.00 0.00 O ATOM 1036 CB LEU A 155 64.133 8.137 4.259 1.00 0.00 C ATOM 1037 CG LEU A 155 63.090 8.664 5.246 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.786 9.113 6.532 1.00 0.00 C ATOM 1039 CD2 LEU A 155 62.355 9.851 4.622 1.00 0.00 C ATOM 0 H LEU A 155 62.911 6.104 4.690 1.00 0.00 H new ATOM 0 HA LEU A 155 62.626 8.040 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.808 7.445 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 155 64.741 8.960 3.883 1.00 0.00 H new ATOM 0 HG LEU A 155 62.375 7.874 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.043 9.489 7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.311 8.267 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.500 9.904 6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 155 61.611 10.228 5.324 1.00 0.00 H new ATOM 0 HD22 LEU A 155 63.070 10.641 4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.860 9.531 3.705 1.00 0.00 H new ATOM 1051 N LYS A 156 65.522 6.523 2.278 1.00 0.00 N ATOM 1052 CA LYS A 156 66.527 6.211 1.223 1.00 0.00 C ATOM 1053 C LYS A 156 65.904 5.305 0.157 1.00 0.00 C ATOM 1054 O LYS A 156 66.328 5.287 -0.982 1.00 0.00 O ATOM 1055 CB LYS A 156 67.655 5.483 1.955 1.00 0.00 C ATOM 1056 CG LYS A 156 69.000 6.099 1.566 1.00 0.00 C ATOM 1057 CD LYS A 156 68.951 7.613 1.779 1.00 0.00 C ATOM 1058 CE LYS A 156 70.313 8.105 2.276 1.00 0.00 C ATOM 1059 NZ LYS A 156 70.166 9.582 2.407 1.00 0.00 N ATOM 0 H LYS A 156 65.770 6.215 3.218 1.00 0.00 H new ATOM 0 HA LYS A 156 66.885 7.105 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 156 67.509 5.555 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 156 67.642 4.423 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 156 69.799 5.663 2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 156 69.226 5.875 0.523 1.00 0.00 H new ATOM 0 HD2 LYS A 156 68.690 8.114 0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 156 68.176 7.864 2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 156 70.573 7.648 3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 156 71.106 7.848 1.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 71.061 9.991 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 69.925 9.990 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 69.409 9.797 3.087 1.00 0.00 H new ATOM 1073 N MET A 157 64.895 4.559 0.516 1.00 0.00 N ATOM 1074 CA MET A 157 64.241 3.662 -0.474 1.00 0.00 C ATOM 1075 C MET A 157 63.672 4.507 -1.619 1.00 0.00 C ATOM 1076 O MET A 157 63.720 4.129 -2.774 1.00 0.00 O ATOM 1077 CB MET A 157 63.146 2.942 0.336 1.00 0.00 C ATOM 1078 CG MET A 157 61.741 3.349 -0.127 1.00 0.00 C ATOM 1079 SD MET A 157 61.375 2.561 -1.716 1.00 0.00 S ATOM 1080 CE MET A 157 61.162 0.877 -1.087 1.00 0.00 C ATOM 0 H MET A 157 64.496 4.533 1.454 1.00 0.00 H new ATOM 0 HA MET A 157 64.914 2.942 -0.940 1.00 0.00 H new ATOM 0 HB2 MET A 157 63.266 1.864 0.232 1.00 0.00 H new ATOM 0 HB3 MET A 157 63.263 3.175 1.394 1.00 0.00 H new ATOM 0 HG2 MET A 157 61.002 3.052 0.617 1.00 0.00 H new ATOM 0 HG3 MET A 157 61.678 4.433 -0.224 1.00 0.00 H new ATOM 0 HE1 MET A 157 61.878 0.214 -1.573 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.331 0.867 -0.010 1.00 0.00 H new ATOM 0 HE3 MET A 157 60.149 0.535 -1.299 1.00 0.00 H new ATOM 1090 N MET A 158 63.142 5.652 -1.300 1.00 0.00 N ATOM 1091 CA MET A 158 62.576 6.538 -2.357 1.00 0.00 C ATOM 1092 C MET A 158 63.545 7.689 -2.650 1.00 0.00 C ATOM 1093 O MET A 158 63.250 8.579 -3.423 1.00 0.00 O ATOM 1094 CB MET A 158 61.268 7.071 -1.772 1.00 0.00 C ATOM 1095 CG MET A 158 60.208 5.967 -1.799 1.00 0.00 C ATOM 1096 SD MET A 158 58.998 6.323 -3.097 1.00 0.00 S ATOM 1097 CE MET A 158 57.537 6.405 -2.030 1.00 0.00 C ATOM 0 H MET A 158 63.075 6.016 -0.349 1.00 0.00 H new ATOM 0 HA MET A 158 62.413 6.011 -3.297 1.00 0.00 H new ATOM 0 HB2 MET A 158 61.427 7.412 -0.749 1.00 0.00 H new ATOM 0 HB3 MET A 158 60.925 7.933 -2.345 1.00 0.00 H new ATOM 0 HG2 MET A 158 60.679 5.001 -1.981 1.00 0.00 H new ATOM 0 HG3 MET A 158 59.711 5.902 -0.831 1.00 0.00 H new ATOM 0 HE1 MET A 158 56.890 5.552 -2.233 1.00 0.00 H new ATOM 0 HE2 MET A 158 57.848 6.384 -0.985 1.00 0.00 H new ATOM 0 HE3 MET A 158 56.993 7.329 -2.228 1.00 0.00 H new