USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=9 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=-0.00372 K(o=-0.0037,f=-1.5) USER MOD Single : A 101 CYS SG : rot -111:sc= 0.652 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -1.99! X(o=-2!,f=-2) USER MOD Single : A 125 THR OG1 : rot -89:sc= 1.11 USER MOD Single : A 128 HIS :FLIP no HE2:sc= -1.07 F(o=-2,f=-1.1) USER MOD Single : A 138 MET CE :methyl 160:sc= -0.186 (180deg=-1.35) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 149:sc= -1.82 USER MOD Single : A 143 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0282) USER MOD Single : A 144 ASN : amide:sc= -2.37! C(o=-2.4!,f=-4.5!) USER MOD Single : A 145 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 156 LYS NZ :NH3+ -149:sc= -0.456 (180deg=-1.36!) USER MOD Single : A 157 MET CE :methyl 145:sc= -2.7! (180deg=-3.85!) USER MOD Single : A 158 MET CE :methyl -179:sc= -8.61! (180deg=-8.85!) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 59.433 13.922 3.095 1.00 0.00 N ATOM 116 CA GLU A 96 58.181 14.103 3.888 1.00 0.00 C ATOM 117 C GLU A 96 57.053 13.254 3.297 1.00 0.00 C ATOM 118 O GLU A 96 56.431 12.465 3.981 1.00 0.00 O ATOM 119 CB GLU A 96 57.848 15.592 3.769 1.00 0.00 C ATOM 120 CG GLU A 96 57.883 16.238 5.155 1.00 0.00 C ATOM 121 CD GLU A 96 56.673 15.772 5.967 1.00 0.00 C ATOM 122 OE1 GLU A 96 55.651 15.490 5.364 1.00 0.00 O ATOM 123 OE2 GLU A 96 56.790 15.704 7.180 1.00 0.00 O ATOM 0 HA GLU A 96 58.302 13.793 4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 96 58.563 16.083 3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 96 56.862 15.720 3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 96 58.805 15.969 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 96 57.875 17.324 5.062 1.00 0.00 H new ATOM 130 N GLU A 97 56.783 13.413 2.031 1.00 0.00 N ATOM 131 CA GLU A 97 55.692 12.622 1.390 1.00 0.00 C ATOM 132 C GLU A 97 55.888 11.125 1.650 1.00 0.00 C ATOM 133 O GLU A 97 55.035 10.467 2.213 1.00 0.00 O ATOM 134 CB GLU A 97 55.811 12.928 -0.102 1.00 0.00 C ATOM 135 CG GLU A 97 55.361 14.367 -0.365 1.00 0.00 C ATOM 136 CD GLU A 97 53.969 14.362 -1.000 1.00 0.00 C ATOM 137 OE1 GLU A 97 53.187 13.492 -0.656 1.00 0.00 O ATOM 138 OE2 GLU A 97 53.710 15.229 -1.817 1.00 0.00 O ATOM 0 H GLU A 97 57.272 14.058 1.410 1.00 0.00 H new ATOM 0 HA GLU A 97 54.710 12.881 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 97 56.841 12.792 -0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 97 55.198 12.233 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 97 55.344 14.930 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 97 56.071 14.866 -1.025 1.00 0.00 H new ATOM 145 N LEU A 98 57.002 10.580 1.244 1.00 0.00 N ATOM 146 CA LEU A 98 57.244 9.124 1.468 1.00 0.00 C ATOM 147 C LEU A 98 56.995 8.764 2.935 1.00 0.00 C ATOM 148 O LEU A 98 56.142 7.958 3.249 1.00 0.00 O ATOM 149 CB LEU A 98 58.713 8.902 1.103 1.00 0.00 C ATOM 150 CG LEU A 98 58.879 8.961 -0.417 1.00 0.00 C ATOM 151 CD1 LEU A 98 60.294 8.516 -0.795 1.00 0.00 C ATOM 152 CD2 LEU A 98 57.861 8.031 -1.079 1.00 0.00 C ATOM 0 H LEU A 98 57.754 11.078 0.768 1.00 0.00 H new ATOM 0 HA LEU A 98 56.578 8.501 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 98 59.335 9.662 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 98 59.049 7.936 1.478 1.00 0.00 H new ATOM 0 HG LEU A 98 58.715 9.983 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 98 60.412 8.558 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 98 61.021 9.178 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 98 60.458 7.495 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 98 57.980 8.073 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 98 58.024 7.009 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 98 56.852 8.347 -0.812 1.00 0.00 H new ATOM 164 N ALA A 99 57.733 9.354 3.836 1.00 0.00 N ATOM 165 CA ALA A 99 57.536 9.042 5.281 1.00 0.00 C ATOM 166 C ALA A 99 56.044 9.044 5.627 1.00 0.00 C ATOM 167 O ALA A 99 55.532 8.116 6.221 1.00 0.00 O ATOM 168 CB ALA A 99 58.262 10.160 6.029 1.00 0.00 C ATOM 0 H ALA A 99 58.463 10.038 3.635 1.00 0.00 H new ATOM 0 HA ALA A 99 57.920 8.057 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 99 58.164 10.003 7.103 1.00 0.00 H new ATOM 0 HB2 ALA A 99 59.317 10.154 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 99 57.823 11.121 5.762 1.00 0.00 H new ATOM 174 N ASN A 100 55.342 10.083 5.262 1.00 0.00 N ATOM 175 CA ASN A 100 53.884 10.144 5.572 1.00 0.00 C ATOM 176 C ASN A 100 53.172 8.907 5.017 1.00 0.00 C ATOM 177 O ASN A 100 52.432 8.241 5.713 1.00 0.00 O ATOM 178 CB ASN A 100 53.383 11.409 4.874 1.00 0.00 C ATOM 179 CG ASN A 100 53.680 12.629 5.749 1.00 0.00 C ATOM 180 OD1 ASN A 100 54.610 12.618 6.529 1.00 0.00 O ATOM 181 ND2 ASN A 100 52.923 13.687 5.651 1.00 0.00 N ATOM 0 H ASN A 100 55.714 10.891 4.763 1.00 0.00 H new ATOM 0 HA ASN A 100 53.691 10.166 6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 100 53.868 11.518 3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 100 52.312 11.334 4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 100 53.113 14.505 6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 100 52.142 13.696 4.995 1.00 0.00 H new ATOM 188 N CYS A 101 53.387 8.598 3.767 1.00 0.00 N ATOM 189 CA CYS A 101 52.720 7.407 3.166 1.00 0.00 C ATOM 190 C CYS A 101 53.232 6.122 3.822 1.00 0.00 C ATOM 191 O CYS A 101 52.702 5.051 3.604 1.00 0.00 O ATOM 192 CB CYS A 101 53.104 7.442 1.687 1.00 0.00 C ATOM 193 SG CYS A 101 51.865 6.542 0.723 1.00 0.00 S ATOM 0 H CYS A 101 53.996 9.119 3.136 1.00 0.00 H new ATOM 0 HA CYS A 101 51.640 7.426 3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 101 53.171 8.474 1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 101 54.087 6.994 1.545 1.00 0.00 H new ATOM 0 HG CYS A 101 52.390 5.450 0.253 1.00 0.00 H new ATOM 199 N PHE A 102 54.259 6.217 4.620 1.00 0.00 N ATOM 200 CA PHE A 102 54.800 4.996 5.284 1.00 0.00 C ATOM 201 C PHE A 102 53.673 4.225 5.977 1.00 0.00 C ATOM 202 O PHE A 102 53.393 3.089 5.649 1.00 0.00 O ATOM 203 CB PHE A 102 55.805 5.514 6.313 1.00 0.00 C ATOM 204 CG PHE A 102 56.407 4.348 7.059 1.00 0.00 C ATOM 205 CD1 PHE A 102 57.491 3.651 6.513 1.00 0.00 C ATOM 206 CD2 PHE A 102 55.880 3.962 8.298 1.00 0.00 C ATOM 207 CE1 PHE A 102 58.049 2.569 7.204 1.00 0.00 C ATOM 208 CE2 PHE A 102 56.438 2.880 8.989 1.00 0.00 C ATOM 209 CZ PHE A 102 57.522 2.183 8.442 1.00 0.00 C ATOM 0 H PHE A 102 54.747 7.085 4.841 1.00 0.00 H new ATOM 0 HA PHE A 102 55.262 4.312 4.572 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.589 6.085 5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.311 6.190 7.011 1.00 0.00 H new ATOM 0 HD1 PHE A 102 57.897 3.948 5.558 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.043 4.499 8.720 1.00 0.00 H new ATOM 0 HE1 PHE A 102 58.886 2.032 6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 102 56.032 2.583 9.945 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.952 1.348 8.975 1.00 0.00 H new ATOM 219 N ARG A 103 53.026 4.833 6.935 1.00 0.00 N ATOM 220 CA ARG A 103 51.920 4.132 7.649 1.00 0.00 C ATOM 221 C ARG A 103 50.845 3.677 6.656 1.00 0.00 C ATOM 222 O ARG A 103 50.253 2.627 6.808 1.00 0.00 O ATOM 223 CB ARG A 103 51.358 5.165 8.629 1.00 0.00 C ATOM 224 CG ARG A 103 50.493 6.180 7.877 1.00 0.00 C ATOM 225 CD ARG A 103 49.767 7.076 8.883 1.00 0.00 C ATOM 226 NE ARG A 103 50.840 7.618 9.764 1.00 0.00 N ATOM 227 CZ ARG A 103 50.528 8.304 10.831 1.00 0.00 C ATOM 228 NH1 ARG A 103 49.281 8.400 11.208 1.00 0.00 N ATOM 229 NH2 ARG A 103 51.464 8.892 11.524 1.00 0.00 N ATOM 0 H ARG A 103 53.215 5.783 7.254 1.00 0.00 H new ATOM 0 HA ARG A 103 52.266 3.235 8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 103 50.765 4.667 9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 103 52.174 5.677 9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 103 51.114 6.785 7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 103 49.770 5.662 7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 103 49.228 7.878 8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 103 49.033 6.510 9.457 1.00 0.00 H new ATOM 0 HE ARG A 103 51.820 7.453 9.533 1.00 0.00 H new ATOM 0 HH11 ARG A 103 48.548 7.939 10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 103 49.040 8.936 12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 103 52.438 8.816 11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 103 51.221 9.428 12.357 1.00 0.00 H new ATOM 243 N ILE A 104 50.590 4.455 5.638 1.00 0.00 N ATOM 244 CA ILE A 104 49.556 4.056 4.641 1.00 0.00 C ATOM 245 C ILE A 104 49.932 2.705 4.020 1.00 0.00 C ATOM 246 O ILE A 104 49.080 1.898 3.703 1.00 0.00 O ATOM 247 CB ILE A 104 49.560 5.181 3.594 1.00 0.00 C ATOM 248 CG1 ILE A 104 48.552 6.254 4.010 1.00 0.00 C ATOM 249 CG2 ILE A 104 49.167 4.632 2.217 1.00 0.00 C ATOM 250 CD1 ILE A 104 49.225 7.254 4.950 1.00 0.00 C ATOM 0 H ILE A 104 51.051 5.346 5.455 1.00 0.00 H new ATOM 0 HA ILE A 104 48.566 3.931 5.080 1.00 0.00 H new ATOM 0 HB ILE A 104 50.562 5.605 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 104 48.169 6.769 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 104 47.698 5.792 4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 104 49.175 5.441 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 104 49.879 3.864 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 104 48.168 4.200 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 104 48.505 8.017 5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 104 49.586 6.733 5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 104 50.065 7.725 4.439 1.00 0.00 H new ATOM 262 N PHE A 105 51.201 2.450 3.852 1.00 0.00 N ATOM 263 CA PHE A 105 51.628 1.149 3.261 1.00 0.00 C ATOM 264 C PHE A 105 51.682 0.076 4.350 1.00 0.00 C ATOM 265 O PHE A 105 51.373 -1.076 4.119 1.00 0.00 O ATOM 266 CB PHE A 105 53.024 1.407 2.694 1.00 0.00 C ATOM 267 CG PHE A 105 52.908 1.905 1.273 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.110 1.213 0.354 1.00 0.00 C ATOM 269 CD2 PHE A 105 53.596 3.057 0.876 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.003 1.673 -0.964 1.00 0.00 C ATOM 271 CE2 PHE A 105 53.488 3.517 -0.442 1.00 0.00 C ATOM 272 CZ PHE A 105 52.691 2.825 -1.361 1.00 0.00 C ATOM 0 H PHE A 105 51.960 3.085 4.098 1.00 0.00 H new ATOM 0 HA PHE A 105 50.939 0.796 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.546 2.142 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.614 0.491 2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 105 51.577 0.325 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 105 54.210 3.591 1.586 1.00 0.00 H new ATOM 0 HE1 PHE A 105 51.389 1.139 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 105 54.020 4.405 -0.749 1.00 0.00 H new ATOM 0 HZ PHE A 105 52.607 3.180 -2.377 1.00 0.00 H new ATOM 282 N ASP A 106 52.071 0.448 5.539 1.00 0.00 N ATOM 283 CA ASP A 106 52.144 -0.546 6.648 1.00 0.00 C ATOM 284 C ASP A 106 50.737 -1.014 7.029 1.00 0.00 C ATOM 285 O ASP A 106 50.300 -0.852 8.150 1.00 0.00 O ATOM 286 CB ASP A 106 52.791 0.207 7.810 1.00 0.00 C ATOM 287 CG ASP A 106 52.861 -0.705 9.036 1.00 0.00 C ATOM 288 OD1 ASP A 106 52.613 -1.890 8.883 1.00 0.00 O ATOM 289 OD2 ASP A 106 53.164 -0.204 10.106 1.00 0.00 O ATOM 0 H ASP A 106 52.342 1.399 5.791 1.00 0.00 H new ATOM 0 HA ASP A 106 52.711 -1.435 6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.792 0.536 7.531 1.00 0.00 H new ATOM 0 HB3 ASP A 106 52.214 1.102 8.043 1.00 0.00 H new ATOM 294 N LYS A 107 50.024 -1.593 6.101 1.00 0.00 N ATOM 295 CA LYS A 107 48.644 -2.069 6.409 1.00 0.00 C ATOM 296 C LYS A 107 48.633 -2.843 7.731 1.00 0.00 C ATOM 297 O LYS A 107 47.734 -2.701 8.536 1.00 0.00 O ATOM 298 CB LYS A 107 48.275 -2.987 5.245 1.00 0.00 C ATOM 299 CG LYS A 107 47.122 -2.367 4.453 1.00 0.00 C ATOM 300 CD LYS A 107 47.658 -1.779 3.145 1.00 0.00 C ATOM 301 CE LYS A 107 47.043 -0.397 2.916 1.00 0.00 C ATOM 302 NZ LYS A 107 46.462 -0.457 1.546 1.00 0.00 N ATOM 0 H LYS A 107 50.337 -1.757 5.144 1.00 0.00 H new ATOM 0 HA LYS A 107 47.937 -1.246 6.519 1.00 0.00 H new ATOM 0 HB2 LYS A 107 49.138 -3.134 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.986 -3.969 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 107 46.365 -3.122 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 107 46.639 -1.588 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 107 48.745 -1.703 3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 107 47.417 -2.439 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 107 46.278 -0.177 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 107 47.796 0.388 2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 46.021 0.456 1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 47.215 -0.661 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 45.744 -1.208 1.506 1.00 0.00 H new ATOM 316 N ASN A 108 49.625 -3.659 7.962 1.00 0.00 N ATOM 317 CA ASN A 108 49.666 -4.439 9.233 1.00 0.00 C ATOM 318 C ASN A 108 49.931 -3.505 10.417 1.00 0.00 C ATOM 319 O ASN A 108 49.763 -3.876 11.562 1.00 0.00 O ATOM 320 CB ASN A 108 50.822 -5.424 9.057 1.00 0.00 C ATOM 321 CG ASN A 108 50.938 -6.305 10.303 1.00 0.00 C ATOM 322 OD1 ASN A 108 49.947 -6.623 10.931 1.00 0.00 O ATOM 323 ND2 ASN A 108 52.114 -6.716 10.691 1.00 0.00 N ATOM 0 H ASN A 108 50.407 -3.820 7.328 1.00 0.00 H new ATOM 0 HA ASN A 108 48.724 -4.949 9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.655 -6.043 8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 108 51.754 -4.882 8.894 1.00 0.00 H new ATOM 0 HD21 ASN A 108 52.201 -7.303 11.520 1.00 0.00 H new ATOM 0 HD22 ASN A 108 52.946 -6.450 10.165 1.00 0.00 H new ATOM 330 N ALA A 109 50.342 -2.296 10.149 1.00 0.00 N ATOM 331 CA ALA A 109 50.617 -1.339 11.260 1.00 0.00 C ATOM 332 C ALA A 109 51.427 -2.026 12.362 1.00 0.00 C ATOM 333 O ALA A 109 51.039 -2.042 13.514 1.00 0.00 O ATOM 334 CB ALA A 109 49.237 -0.932 11.781 1.00 0.00 C ATOM 0 H ALA A 109 50.499 -1.929 9.210 1.00 0.00 H new ATOM 0 HA ALA A 109 51.199 -0.478 10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 109 49.352 -0.226 12.603 1.00 0.00 H new ATOM 0 HB2 ALA A 109 48.668 -0.464 10.978 1.00 0.00 H new ATOM 0 HB3 ALA A 109 48.706 -1.816 12.134 1.00 0.00 H new ATOM 340 N ASP A 110 52.550 -2.597 12.019 1.00 0.00 N ATOM 341 CA ASP A 110 53.382 -3.284 13.048 1.00 0.00 C ATOM 342 C ASP A 110 54.651 -2.473 13.330 1.00 0.00 C ATOM 343 O ASP A 110 55.445 -2.822 14.181 1.00 0.00 O ATOM 344 CB ASP A 110 53.737 -4.637 12.431 1.00 0.00 C ATOM 345 CG ASP A 110 54.604 -4.419 11.189 1.00 0.00 C ATOM 346 OD1 ASP A 110 54.440 -3.395 10.548 1.00 0.00 O ATOM 347 OD2 ASP A 110 55.418 -5.281 10.901 1.00 0.00 O ATOM 0 H ASP A 110 52.927 -2.617 11.071 1.00 0.00 H new ATOM 0 HA ASP A 110 52.858 -3.394 13.997 1.00 0.00 H new ATOM 0 HB2 ASP A 110 54.270 -5.251 13.157 1.00 0.00 H new ATOM 0 HB3 ASP A 110 52.828 -5.176 12.163 1.00 0.00 H new ATOM 352 N GLY A 111 54.846 -1.394 12.622 1.00 0.00 N ATOM 353 CA GLY A 111 56.062 -0.563 12.852 1.00 0.00 C ATOM 354 C GLY A 111 57.097 -0.853 11.763 1.00 0.00 C ATOM 355 O GLY A 111 58.001 -0.076 11.531 1.00 0.00 O ATOM 0 H GLY A 111 54.217 -1.052 11.895 1.00 0.00 H new ATOM 0 HA2 GLY A 111 55.798 0.495 12.845 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.482 -0.780 13.834 1.00 0.00 H new ATOM 359 N PHE A 112 56.975 -1.967 11.093 1.00 0.00 N ATOM 360 CA PHE A 112 57.956 -2.302 10.021 1.00 0.00 C ATOM 361 C PHE A 112 57.312 -3.215 8.973 1.00 0.00 C ATOM 362 O PHE A 112 56.806 -4.274 9.285 1.00 0.00 O ATOM 363 CB PHE A 112 59.095 -3.028 10.737 1.00 0.00 C ATOM 364 CG PHE A 112 59.721 -2.103 11.753 1.00 0.00 C ATOM 365 CD1 PHE A 112 60.747 -1.234 11.367 1.00 0.00 C ATOM 366 CD2 PHE A 112 59.275 -2.114 13.080 1.00 0.00 C ATOM 367 CE1 PHE A 112 61.329 -0.375 12.307 1.00 0.00 C ATOM 368 CE2 PHE A 112 59.857 -1.255 14.021 1.00 0.00 C ATOM 369 CZ PHE A 112 60.883 -0.386 13.635 1.00 0.00 C ATOM 0 H PHE A 112 56.240 -2.658 11.241 1.00 0.00 H new ATOM 0 HA PHE A 112 58.305 -1.415 9.493 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.717 -3.924 11.229 1.00 0.00 H new ATOM 0 HB3 PHE A 112 59.844 -3.353 10.015 1.00 0.00 H new ATOM 0 HD1 PHE A 112 61.090 -1.226 10.343 1.00 0.00 H new ATOM 0 HD2 PHE A 112 58.483 -2.785 13.378 1.00 0.00 H new ATOM 0 HE1 PHE A 112 62.121 0.296 12.009 1.00 0.00 H new ATOM 0 HE2 PHE A 112 59.513 -1.264 15.045 1.00 0.00 H new ATOM 0 HZ PHE A 112 61.331 0.276 14.361 1.00 0.00 H new ATOM 379 N ILE A 113 57.330 -2.808 7.733 1.00 0.00 N ATOM 380 CA ILE A 113 56.721 -3.649 6.661 1.00 0.00 C ATOM 381 C ILE A 113 57.710 -4.726 6.204 1.00 0.00 C ATOM 382 O ILE A 113 58.863 -4.450 5.939 1.00 0.00 O ATOM 383 CB ILE A 113 56.425 -2.676 5.521 1.00 0.00 C ATOM 384 CG1 ILE A 113 55.335 -1.694 5.957 1.00 0.00 C ATOM 385 CG2 ILE A 113 55.947 -3.455 4.294 1.00 0.00 C ATOM 386 CD1 ILE A 113 55.754 -0.270 5.588 1.00 0.00 C ATOM 0 H ILE A 113 57.740 -1.930 7.415 1.00 0.00 H new ATOM 0 HA ILE A 113 55.825 -4.168 7.001 1.00 0.00 H new ATOM 0 HB ILE A 113 57.332 -2.125 5.271 1.00 0.00 H new ATOM 0 HG12 ILE A 113 54.391 -1.944 5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 113 55.172 -1.769 7.032 1.00 0.00 H new ATOM 0 HG21 ILE A 113 55.736 -2.760 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 113 56.723 -4.154 3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.041 -4.007 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 113 54.978 0.430 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 113 56.688 -0.023 6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 113 55.895 -0.200 4.509 1.00 0.00 H new ATOM 398 N ASP A 114 57.269 -5.951 6.107 1.00 0.00 N ATOM 399 CA ASP A 114 58.186 -7.041 5.664 1.00 0.00 C ATOM 400 C ASP A 114 57.910 -7.398 4.201 1.00 0.00 C ATOM 401 O ASP A 114 57.054 -6.821 3.562 1.00 0.00 O ATOM 402 CB ASP A 114 57.866 -8.226 6.575 1.00 0.00 C ATOM 403 CG ASP A 114 56.369 -8.532 6.513 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.871 -8.735 5.417 1.00 0.00 O ATOM 405 OD2 ASP A 114 55.745 -8.557 7.561 1.00 0.00 O ATOM 0 H ASP A 114 56.314 -6.244 6.315 1.00 0.00 H new ATOM 0 HA ASP A 114 59.235 -6.751 5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.439 -9.100 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 114 58.159 -7.999 7.600 1.00 0.00 H new ATOM 410 N ILE A 115 58.630 -8.346 3.666 1.00 0.00 N ATOM 411 CA ILE A 115 58.408 -8.738 2.243 1.00 0.00 C ATOM 412 C ILE A 115 56.969 -9.225 2.047 1.00 0.00 C ATOM 413 O ILE A 115 56.355 -8.982 1.027 1.00 0.00 O ATOM 414 CB ILE A 115 59.396 -9.874 1.982 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.220 -10.377 0.547 1.00 0.00 C ATOM 416 CG2 ILE A 115 59.130 -11.022 2.958 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.591 -10.656 -0.070 1.00 0.00 C ATOM 0 H ILE A 115 59.361 -8.866 4.151 1.00 0.00 H new ATOM 0 HA ILE A 115 58.559 -7.903 1.559 1.00 0.00 H new ATOM 0 HB ILE A 115 60.414 -9.509 2.122 1.00 0.00 H new ATOM 0 HG12 ILE A 115 58.616 -11.284 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.687 -9.634 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.836 -11.831 2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 115 59.251 -10.665 3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 115 58.113 -11.389 2.820 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.464 -11.014 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 115 61.180 -9.739 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.107 -11.414 0.519 1.00 0.00 H new ATOM 429 N GLU A 116 56.430 -9.913 3.015 1.00 0.00 N ATOM 430 CA GLU A 116 55.034 -10.417 2.884 1.00 0.00 C ATOM 431 C GLU A 116 54.095 -9.279 2.472 1.00 0.00 C ATOM 432 O GLU A 116 53.360 -9.386 1.511 1.00 0.00 O ATOM 433 CB GLU A 116 54.669 -10.936 4.275 1.00 0.00 C ATOM 434 CG GLU A 116 54.161 -12.374 4.167 1.00 0.00 C ATOM 435 CD GLU A 116 52.958 -12.421 3.224 1.00 0.00 C ATOM 436 OE1 GLU A 116 51.866 -12.116 3.673 1.00 0.00 O ATOM 437 OE2 GLU A 116 53.150 -12.761 2.068 1.00 0.00 O ATOM 0 H GLU A 116 56.896 -10.148 3.891 1.00 0.00 H new ATOM 0 HA GLU A 116 54.945 -11.192 2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.539 -10.895 4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.904 -10.302 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 116 54.953 -13.024 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 116 53.879 -12.746 5.152 1.00 0.00 H new ATOM 444 N GLU A 117 54.116 -8.193 3.194 1.00 0.00 N ATOM 445 CA GLU A 117 53.224 -7.049 2.844 1.00 0.00 C ATOM 446 C GLU A 117 53.495 -6.583 1.412 1.00 0.00 C ATOM 447 O GLU A 117 52.600 -6.508 0.593 1.00 0.00 O ATOM 448 CB GLU A 117 53.583 -5.946 3.841 1.00 0.00 C ATOM 449 CG GLU A 117 52.909 -6.231 5.185 1.00 0.00 C ATOM 450 CD GLU A 117 53.655 -5.490 6.296 1.00 0.00 C ATOM 451 OE1 GLU A 117 53.582 -4.273 6.320 1.00 0.00 O ATOM 452 OE2 GLU A 117 54.286 -6.152 7.103 1.00 0.00 O ATOM 0 H GLU A 117 54.711 -8.047 4.010 1.00 0.00 H new ATOM 0 HA GLU A 117 52.169 -7.320 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 117 54.664 -5.895 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.261 -4.977 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 117 51.867 -5.912 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 117 52.909 -7.303 5.384 1.00 0.00 H new ATOM 459 N LEU A 118 54.723 -6.265 1.105 1.00 0.00 N ATOM 460 CA LEU A 118 55.050 -5.800 -0.273 1.00 0.00 C ATOM 461 C LEU A 118 54.331 -6.671 -1.307 1.00 0.00 C ATOM 462 O LEU A 118 53.841 -6.187 -2.308 1.00 0.00 O ATOM 463 CB LEU A 118 56.565 -5.969 -0.399 1.00 0.00 C ATOM 464 CG LEU A 118 57.215 -4.609 -0.663 1.00 0.00 C ATOM 465 CD1 LEU A 118 56.915 -3.665 0.503 1.00 0.00 C ATOM 466 CD2 LEU A 118 58.729 -4.788 -0.794 1.00 0.00 C ATOM 0 H LEU A 118 55.513 -6.307 1.748 1.00 0.00 H new ATOM 0 HA LEU A 118 54.737 -4.770 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 118 56.969 -6.405 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.798 -6.658 -1.211 1.00 0.00 H new ATOM 0 HG LEU A 118 56.815 -4.187 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.378 -2.696 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 118 55.837 -3.539 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 118 57.316 -4.086 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 118 59.195 -3.821 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 118 59.127 -5.209 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 118 58.945 -5.462 -1.623 1.00 0.00 H new ATOM 478 N GLY A 119 54.269 -7.953 -1.074 1.00 0.00 N ATOM 479 CA GLY A 119 53.587 -8.857 -2.043 1.00 0.00 C ATOM 480 C GLY A 119 52.125 -8.440 -2.197 1.00 0.00 C ATOM 481 O GLY A 119 51.758 -7.770 -3.142 1.00 0.00 O ATOM 0 H GLY A 119 54.662 -8.414 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 119 54.090 -8.816 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.646 -9.889 -1.696 1.00 0.00 H new ATOM 485 N GLU A 120 51.284 -8.828 -1.276 1.00 0.00 N ATOM 486 CA GLU A 120 49.845 -8.451 -1.375 1.00 0.00 C ATOM 487 C GLU A 120 49.707 -6.955 -1.668 1.00 0.00 C ATOM 488 O GLU A 120 49.012 -6.552 -2.580 1.00 0.00 O ATOM 489 CB GLU A 120 49.240 -8.796 -0.011 1.00 0.00 C ATOM 490 CG GLU A 120 50.116 -8.242 1.116 1.00 0.00 C ATOM 491 CD GLU A 120 49.516 -6.934 1.636 1.00 0.00 C ATOM 492 OE1 GLU A 120 48.603 -6.431 1.001 1.00 0.00 O ATOM 493 OE2 GLU A 120 49.978 -6.459 2.660 1.00 0.00 O ATOM 0 H GLU A 120 51.531 -9.389 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 120 49.338 -8.978 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.235 -8.381 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.147 -9.877 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 120 50.187 -8.968 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 120 51.129 -8.070 0.752 1.00 0.00 H new ATOM 500 N ILE A 121 50.367 -6.131 -0.904 1.00 0.00 N ATOM 501 CA ILE A 121 50.279 -4.661 -1.138 1.00 0.00 C ATOM 502 C ILE A 121 50.412 -4.356 -2.634 1.00 0.00 C ATOM 503 O ILE A 121 49.568 -3.711 -3.223 1.00 0.00 O ATOM 504 CB ILE A 121 51.455 -4.070 -0.356 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.091 -3.991 1.128 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.771 -2.665 -0.878 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.218 -3.296 1.895 1.00 0.00 C ATOM 0 H ILE A 121 50.965 -6.411 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 121 49.325 -4.243 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 121 52.330 -4.707 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.158 -3.442 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 121 50.929 -4.992 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.609 -2.249 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 121 52.032 -2.720 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.897 -2.025 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 121 51.958 -3.240 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.141 -3.863 1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.358 -2.289 1.502 1.00 0.00 H new ATOM 519 N LEU A 122 51.468 -4.811 -3.252 1.00 0.00 N ATOM 520 CA LEU A 122 51.657 -4.541 -4.706 1.00 0.00 C ATOM 521 C LEU A 122 50.613 -5.299 -5.533 1.00 0.00 C ATOM 522 O LEU A 122 49.805 -4.707 -6.222 1.00 0.00 O ATOM 523 CB LEU A 122 53.062 -5.051 -5.024 1.00 0.00 C ATOM 524 CG LEU A 122 54.086 -3.965 -4.692 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.498 -4.553 -4.767 1.00 0.00 C ATOM 526 CD2 LEU A 122 53.957 -2.820 -5.699 1.00 0.00 C ATOM 0 H LEU A 122 52.208 -5.358 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 122 51.540 -3.484 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.272 -5.952 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 122 53.132 -5.322 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 122 53.903 -3.588 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 122 56.228 -3.779 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.591 -5.370 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.682 -4.930 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 122 54.686 -2.045 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 122 54.140 -3.198 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 122 52.952 -2.401 -5.647 1.00 0.00 H new ATOM 538 N ARG A 123 50.624 -6.603 -5.475 1.00 0.00 N ATOM 539 CA ARG A 123 49.635 -7.392 -6.264 1.00 0.00 C ATOM 540 C ARG A 123 48.222 -6.839 -6.051 1.00 0.00 C ATOM 541 O ARG A 123 47.434 -6.754 -6.972 1.00 0.00 O ATOM 542 CB ARG A 123 49.743 -8.817 -5.722 1.00 0.00 C ATOM 543 CG ARG A 123 50.875 -9.553 -6.442 1.00 0.00 C ATOM 544 CD ARG A 123 50.918 -11.010 -5.975 1.00 0.00 C ATOM 545 NE ARG A 123 52.262 -11.503 -6.382 1.00 0.00 N ATOM 546 CZ ARG A 123 52.508 -12.786 -6.407 1.00 0.00 C ATOM 547 NH1 ARG A 123 51.613 -13.636 -5.980 1.00 0.00 N ATOM 548 NH2 ARG A 123 53.652 -13.222 -6.861 1.00 0.00 N ATOM 0 H ARG A 123 51.274 -7.156 -4.916 1.00 0.00 H new ATOM 0 HA ARG A 123 49.832 -7.348 -7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.934 -8.796 -4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.801 -9.345 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 123 50.722 -9.510 -7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 123 51.828 -9.066 -6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 123 50.780 -11.083 -4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 123 50.125 -11.597 -6.438 1.00 0.00 H new ATOM 0 HE ARG A 123 52.991 -10.839 -6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 123 50.718 -13.299 -5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 123 51.809 -14.637 -6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 123 54.353 -12.561 -7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 123 53.845 -14.223 -6.881 1.00 0.00 H new ATOM 562 N ALA A 124 47.896 -6.462 -4.845 1.00 0.00 N ATOM 563 CA ALA A 124 46.533 -5.914 -4.580 1.00 0.00 C ATOM 564 C ALA A 124 46.225 -4.770 -5.550 1.00 0.00 C ATOM 565 O ALA A 124 45.208 -4.764 -6.215 1.00 0.00 O ATOM 566 CB ALA A 124 46.584 -5.400 -3.141 1.00 0.00 C ATOM 0 H ALA A 124 48.512 -6.509 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 124 45.753 -6.663 -4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.615 -4.980 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.823 -6.224 -2.469 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.350 -4.629 -3.057 1.00 0.00 H new ATOM 572 N THR A 125 47.096 -3.803 -5.638 1.00 0.00 N ATOM 573 CA THR A 125 46.853 -2.661 -6.567 1.00 0.00 C ATOM 574 C THR A 125 46.605 -3.181 -7.986 1.00 0.00 C ATOM 575 O THR A 125 45.859 -2.601 -8.750 1.00 0.00 O ATOM 576 CB THR A 125 48.137 -1.832 -6.520 1.00 0.00 C ATOM 577 OG1 THR A 125 49.187 -2.552 -7.149 1.00 0.00 O ATOM 578 CG2 THR A 125 48.510 -1.549 -5.065 1.00 0.00 C ATOM 0 H THR A 125 47.966 -3.753 -5.107 1.00 0.00 H new ATOM 0 HA THR A 125 45.979 -2.076 -6.283 1.00 0.00 H new ATOM 0 HB THR A 125 47.980 -0.888 -7.042 1.00 0.00 H new ATOM 0 HG1 THR A 125 49.643 -3.112 -6.486 1.00 0.00 H new ATOM 0 HG21 THR A 125 49.425 -0.958 -5.032 1.00 0.00 H new ATOM 0 HG22 THR A 125 47.704 -0.996 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 125 48.667 -2.491 -4.540 1.00 0.00 H new ATOM 586 N GLY A 126 47.229 -4.270 -8.343 1.00 0.00 N ATOM 587 CA GLY A 126 47.035 -4.826 -9.711 1.00 0.00 C ATOM 588 C GLY A 126 48.354 -4.745 -10.484 1.00 0.00 C ATOM 589 O GLY A 126 48.445 -5.165 -11.620 1.00 0.00 O ATOM 0 H GLY A 126 47.865 -4.799 -7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 126 46.699 -5.861 -9.651 1.00 0.00 H new ATOM 0 HA3 GLY A 126 46.259 -4.269 -10.235 1.00 0.00 H new ATOM 593 N GLU A 127 49.379 -4.208 -9.876 1.00 0.00 N ATOM 594 CA GLU A 127 50.689 -4.102 -10.578 1.00 0.00 C ATOM 595 C GLU A 127 51.174 -5.492 -10.997 1.00 0.00 C ATOM 596 O GLU A 127 52.043 -5.632 -11.835 1.00 0.00 O ATOM 597 CB GLU A 127 51.640 -3.489 -9.549 1.00 0.00 C ATOM 598 CG GLU A 127 51.585 -1.962 -9.647 1.00 0.00 C ATOM 599 CD GLU A 127 51.912 -1.530 -11.078 1.00 0.00 C ATOM 600 OE1 GLU A 127 52.711 -2.200 -11.711 1.00 0.00 O ATOM 601 OE2 GLU A 127 51.357 -0.536 -11.516 1.00 0.00 O ATOM 0 H GLU A 127 49.364 -3.839 -8.925 1.00 0.00 H new ATOM 0 HA GLU A 127 50.627 -3.500 -11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 127 51.362 -3.810 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 127 52.657 -3.839 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 127 50.595 -1.604 -9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 127 52.295 -1.516 -8.950 1.00 0.00 H new ATOM 608 N HIS A 128 50.617 -6.522 -10.420 1.00 0.00 N ATOM 609 CA HIS A 128 51.045 -7.903 -10.785 1.00 0.00 C ATOM 610 C HIS A 128 52.573 -7.993 -10.814 1.00 0.00 C ATOM 611 O HIS A 128 53.165 -8.351 -11.813 1.00 0.00 O ATOM 612 CB HIS A 128 50.467 -8.144 -12.180 1.00 0.00 C ATOM 613 CG HIS A 128 50.867 -9.514 -12.656 1.00 0.00 C ATOM 614 ND1 HIS A 128 51.526 -10.544 -12.033 1.00 0.00 N flip ATOM 615 CD2 HIS A 128 50.588 -9.962 -13.937 1.00 0.00 C flip ATOM 616 CE1 HIS A 128 51.657 -11.616 -12.912 1.00 0.00 C flip ATOM 617 NE2 HIS A 128 51.075 -11.212 -14.045 1.00 0.00 N flip ATOM 0 H HIS A 128 49.885 -6.467 -9.712 1.00 0.00 H new ATOM 0 HA HIS A 128 50.697 -8.645 -10.067 1.00 0.00 H new ATOM 0 HB2 HIS A 128 49.381 -8.058 -12.156 1.00 0.00 H new ATOM 0 HB3 HIS A 128 50.831 -7.385 -12.873 1.00 0.00 H new ATOM 0 HD1 HIS A 128 51.868 -10.527 -11.072 1.00 0.00 H new ATOM 0 HD2 HIS A 128 50.073 -9.409 -14.709 1.00 0.00 H new ATOM 0 HE1 HIS A 128 52.128 -12.569 -12.719 1.00 0.00 H new ATOM 625 N VAL A 129 53.216 -7.671 -9.725 1.00 0.00 N ATOM 626 CA VAL A 129 54.706 -7.739 -9.692 1.00 0.00 C ATOM 627 C VAL A 129 55.163 -9.130 -9.245 1.00 0.00 C ATOM 628 O VAL A 129 54.459 -9.829 -8.543 1.00 0.00 O ATOM 629 CB VAL A 129 55.129 -6.682 -8.672 1.00 0.00 C ATOM 630 CG1 VAL A 129 56.643 -6.477 -8.746 1.00 0.00 C ATOM 631 CG2 VAL A 129 54.421 -5.362 -8.987 1.00 0.00 C ATOM 0 H VAL A 129 52.776 -7.364 -8.858 1.00 0.00 H new ATOM 0 HA VAL A 129 55.149 -7.560 -10.672 1.00 0.00 H new ATOM 0 HB VAL A 129 54.857 -7.014 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 129 56.944 -5.723 -8.019 1.00 0.00 H new ATOM 0 HG12 VAL A 129 57.149 -7.417 -8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 129 56.917 -6.145 -9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 129 54.721 -4.606 -8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 129 54.695 -5.032 -9.989 1.00 0.00 H new ATOM 0 HG23 VAL A 129 53.342 -5.507 -8.936 1.00 0.00 H new ATOM 641 N ILE A 130 56.336 -9.537 -9.643 1.00 0.00 N ATOM 642 CA ILE A 130 56.835 -10.882 -9.240 1.00 0.00 C ATOM 643 C ILE A 130 57.773 -10.759 -8.038 1.00 0.00 C ATOM 644 O ILE A 130 58.379 -9.730 -7.812 1.00 0.00 O ATOM 645 CB ILE A 130 57.591 -11.405 -10.460 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.763 -10.472 -10.772 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.646 -11.452 -11.664 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.796 -11.217 -11.617 1.00 0.00 C ATOM 0 H ILE A 130 56.971 -8.996 -10.230 1.00 0.00 H new ATOM 0 HA ILE A 130 56.027 -11.551 -8.944 1.00 0.00 H new ATOM 0 HB ILE A 130 57.967 -12.407 -10.252 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.408 -9.591 -11.306 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.219 -10.121 -9.846 1.00 0.00 H new ATOM 0 HG21 ILE A 130 57.185 -11.825 -12.535 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.809 -12.115 -11.444 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.271 -10.450 -11.871 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.631 -10.553 -11.840 1.00 0.00 H new ATOM 0 HD12 ILE A 130 60.159 -12.085 -11.066 1.00 0.00 H new ATOM 0 HD13 ILE A 130 59.335 -11.545 -12.549 1.00 0.00 H new ATOM 660 N GLU A 131 57.896 -11.801 -7.262 1.00 0.00 N ATOM 661 CA GLU A 131 58.792 -11.747 -6.072 1.00 0.00 C ATOM 662 C GLU A 131 60.170 -11.202 -6.461 1.00 0.00 C ATOM 663 O GLU A 131 60.683 -10.289 -5.847 1.00 0.00 O ATOM 664 CB GLU A 131 58.904 -13.198 -5.599 1.00 0.00 C ATOM 665 CG GLU A 131 57.562 -13.656 -5.026 1.00 0.00 C ATOM 666 CD GLU A 131 57.765 -14.937 -4.217 1.00 0.00 C ATOM 667 OE1 GLU A 131 58.733 -15.632 -4.481 1.00 0.00 O ATOM 668 OE2 GLU A 131 56.953 -15.201 -3.346 1.00 0.00 O ATOM 0 H GLU A 131 57.414 -12.689 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 131 58.403 -11.089 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 131 59.194 -13.841 -6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 131 59.683 -13.285 -4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 131 57.140 -12.876 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 131 56.851 -13.831 -5.833 1.00 0.00 H new ATOM 675 N GLU A 132 60.774 -11.762 -7.474 1.00 0.00 N ATOM 676 CA GLU A 132 62.121 -11.283 -7.899 1.00 0.00 C ATOM 677 C GLU A 132 62.186 -9.753 -7.863 1.00 0.00 C ATOM 678 O GLU A 132 63.210 -9.174 -7.555 1.00 0.00 O ATOM 679 CB GLU A 132 62.291 -11.795 -9.328 1.00 0.00 C ATOM 680 CG GLU A 132 63.500 -12.731 -9.394 1.00 0.00 C ATOM 681 CD GLU A 132 64.200 -12.569 -10.744 1.00 0.00 C ATOM 682 OE1 GLU A 132 64.940 -11.611 -10.895 1.00 0.00 O ATOM 683 OE2 GLU A 132 63.985 -13.408 -11.604 1.00 0.00 O ATOM 0 H GLU A 132 60.393 -12.531 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 132 62.910 -11.644 -7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.392 -12.322 -9.646 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.428 -10.957 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 132 64.193 -12.504 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 132 63.180 -13.764 -9.260 1.00 0.00 H new ATOM 690 N ASP A 133 61.103 -9.094 -8.167 1.00 0.00 N ATOM 691 CA ASP A 133 61.107 -7.605 -8.140 1.00 0.00 C ATOM 692 C ASP A 133 60.821 -7.122 -6.721 1.00 0.00 C ATOM 693 O ASP A 133 61.516 -6.283 -6.185 1.00 0.00 O ATOM 694 CB ASP A 133 59.988 -7.187 -9.093 1.00 0.00 C ATOM 695 CG ASP A 133 60.585 -6.429 -10.280 1.00 0.00 C ATOM 696 OD1 ASP A 133 61.701 -5.953 -10.151 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.918 -6.340 -11.297 1.00 0.00 O ATOM 0 H ASP A 133 60.216 -9.522 -8.433 1.00 0.00 H new ATOM 0 HA ASP A 133 62.065 -7.179 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.448 -8.066 -9.444 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.268 -6.557 -8.571 1.00 0.00 H new ATOM 702 N ILE A 134 59.810 -7.662 -6.102 1.00 0.00 N ATOM 703 CA ILE A 134 59.490 -7.250 -4.710 1.00 0.00 C ATOM 704 C ILE A 134 60.726 -7.448 -3.834 1.00 0.00 C ATOM 705 O ILE A 134 61.042 -6.635 -2.988 1.00 0.00 O ATOM 706 CB ILE A 134 58.359 -8.178 -4.274 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.184 -8.020 -5.246 1.00 0.00 C ATOM 708 CG2 ILE A 134 57.919 -7.808 -2.856 1.00 0.00 C ATOM 709 CD1 ILE A 134 55.962 -8.751 -4.695 1.00 0.00 C ATOM 0 H ILE A 134 59.193 -8.370 -6.500 1.00 0.00 H new ATOM 0 HA ILE A 134 59.198 -6.203 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 134 58.699 -9.213 -4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 134 56.955 -6.964 -5.387 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.451 -8.422 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.111 -8.469 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.762 -7.915 -2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.570 -6.776 -2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.128 -8.638 -5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.194 -9.809 -4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.691 -8.328 -3.728 1.00 0.00 H new ATOM 721 N GLU A 135 61.435 -8.523 -4.045 1.00 0.00 N ATOM 722 CA GLU A 135 62.663 -8.778 -3.242 1.00 0.00 C ATOM 723 C GLU A 135 63.639 -7.613 -3.412 1.00 0.00 C ATOM 724 O GLU A 135 64.086 -7.015 -2.454 1.00 0.00 O ATOM 725 CB GLU A 135 63.260 -10.061 -3.826 1.00 0.00 C ATOM 726 CG GLU A 135 62.742 -11.270 -3.048 1.00 0.00 C ATOM 727 CD GLU A 135 63.602 -12.493 -3.374 1.00 0.00 C ATOM 728 OE1 GLU A 135 64.626 -12.659 -2.732 1.00 0.00 O ATOM 729 OE2 GLU A 135 63.223 -13.241 -4.259 1.00 0.00 O ATOM 0 H GLU A 135 61.216 -9.237 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 135 62.453 -8.876 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 135 62.992 -10.152 -4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.348 -10.023 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 135 62.771 -11.067 -1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 135 61.701 -11.464 -3.308 1.00 0.00 H new ATOM 736 N ASP A 136 63.966 -7.283 -4.633 1.00 0.00 N ATOM 737 CA ASP A 136 64.905 -6.153 -4.877 1.00 0.00 C ATOM 738 C ASP A 136 64.474 -4.931 -4.064 1.00 0.00 C ATOM 739 O ASP A 136 65.280 -4.276 -3.433 1.00 0.00 O ATOM 740 CB ASP A 136 64.796 -5.872 -6.377 1.00 0.00 C ATOM 741 CG ASP A 136 66.188 -5.923 -7.009 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.922 -4.960 -6.856 1.00 0.00 O ATOM 743 OD2 ASP A 136 66.498 -6.923 -7.634 1.00 0.00 O ATOM 0 H ASP A 136 63.622 -7.749 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 136 65.928 -6.386 -4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.144 -6.607 -6.849 1.00 0.00 H new ATOM 0 HB3 ASP A 136 64.346 -4.893 -6.543 1.00 0.00 H new ATOM 748 N LEU A 137 63.206 -4.623 -4.070 1.00 0.00 N ATOM 749 CA LEU A 137 62.719 -3.446 -3.295 1.00 0.00 C ATOM 750 C LEU A 137 63.131 -3.576 -1.826 1.00 0.00 C ATOM 751 O LEU A 137 63.464 -2.606 -1.175 1.00 0.00 O ATOM 752 CB LEU A 137 61.195 -3.489 -3.428 1.00 0.00 C ATOM 753 CG LEU A 137 60.713 -2.263 -4.205 1.00 0.00 C ATOM 754 CD1 LEU A 137 60.485 -2.644 -5.669 1.00 0.00 C ATOM 755 CD2 LEU A 137 59.398 -1.763 -3.602 1.00 0.00 C ATOM 0 H LEU A 137 62.485 -5.136 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 137 63.135 -2.508 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 137 60.890 -4.401 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 137 60.734 -3.511 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 137 61.466 -1.477 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 137 60.141 -1.770 -6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 137 61.419 -3.004 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 137 59.732 -3.430 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 137 59.053 -0.889 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 137 58.647 -2.551 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 137 59.556 -1.493 -2.558 1.00 0.00 H new ATOM 767 N MET A 138 63.107 -4.770 -1.298 1.00 0.00 N ATOM 768 CA MET A 138 63.494 -4.965 0.129 1.00 0.00 C ATOM 769 C MET A 138 64.998 -4.743 0.309 1.00 0.00 C ATOM 770 O MET A 138 65.432 -4.089 1.236 1.00 0.00 O ATOM 771 CB MET A 138 63.124 -6.417 0.442 1.00 0.00 C ATOM 772 CG MET A 138 63.826 -6.858 1.729 1.00 0.00 C ATOM 773 SD MET A 138 63.519 -5.643 3.035 1.00 0.00 S ATOM 774 CE MET A 138 61.711 -5.709 2.983 1.00 0.00 C ATOM 0 H MET A 138 62.836 -5.619 -1.793 1.00 0.00 H new ATOM 0 HA MET A 138 62.991 -4.262 0.793 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.044 -6.512 0.554 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.417 -7.064 -0.385 1.00 0.00 H new ATOM 0 HG2 MET A 138 63.461 -7.838 2.037 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.897 -6.957 1.555 1.00 0.00 H new ATOM 0 HE1 MET A 138 61.306 -5.322 3.918 1.00 0.00 H new ATOM 0 HE2 MET A 138 61.349 -5.104 2.152 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.388 -6.741 2.848 1.00 0.00 H new ATOM 784 N LYS A 139 65.798 -5.287 -0.567 1.00 0.00 N ATOM 785 CA LYS A 139 67.274 -5.111 -0.440 1.00 0.00 C ATOM 786 C LYS A 139 67.654 -3.639 -0.626 1.00 0.00 C ATOM 787 O LYS A 139 68.356 -3.063 0.182 1.00 0.00 O ATOM 788 CB LYS A 139 67.873 -5.966 -1.559 1.00 0.00 C ATOM 789 CG LYS A 139 69.113 -6.693 -1.034 1.00 0.00 C ATOM 790 CD LYS A 139 69.960 -7.176 -2.213 1.00 0.00 C ATOM 791 CE LYS A 139 71.110 -6.194 -2.451 1.00 0.00 C ATOM 792 NZ LYS A 139 71.501 -6.397 -3.874 1.00 0.00 N ATOM 0 H LYS A 139 65.494 -5.845 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 139 67.640 -5.409 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 139 67.137 -6.688 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 139 68.139 -5.338 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 139 69.698 -6.025 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 139 68.816 -7.540 -0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 139 70.354 -8.171 -2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 139 69.344 -7.255 -3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 139 70.795 -5.166 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 139 71.945 -6.394 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 72.286 -5.758 -4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 71.802 -7.382 -4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 70.688 -6.193 -4.490 1.00 0.00 H new ATOM 806 N ASP A 140 67.200 -3.027 -1.684 1.00 0.00 N ATOM 807 CA ASP A 140 67.539 -1.594 -1.920 1.00 0.00 C ATOM 808 C ASP A 140 67.133 -0.745 -0.711 1.00 0.00 C ATOM 809 O ASP A 140 67.753 0.255 -0.407 1.00 0.00 O ATOM 810 CB ASP A 140 66.729 -1.193 -3.153 1.00 0.00 C ATOM 811 CG ASP A 140 67.415 -0.018 -3.854 1.00 0.00 C ATOM 812 OD1 ASP A 140 68.616 0.121 -3.694 1.00 0.00 O ATOM 813 OD2 ASP A 140 66.728 0.721 -4.539 1.00 0.00 O ATOM 0 H ASP A 140 66.609 -3.456 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 140 68.608 -1.443 -2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 140 66.644 -2.038 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 140 65.716 -0.915 -2.861 1.00 0.00 H new ATOM 818 N SER A 141 66.094 -1.134 -0.023 1.00 0.00 N ATOM 819 CA SER A 141 65.649 -0.345 1.162 1.00 0.00 C ATOM 820 C SER A 141 66.382 -0.815 2.421 1.00 0.00 C ATOM 821 O SER A 141 66.941 -0.026 3.157 1.00 0.00 O ATOM 822 CB SER A 141 64.152 -0.624 1.284 1.00 0.00 C ATOM 823 OG SER A 141 63.529 0.454 1.970 1.00 0.00 O ATOM 0 H SER A 141 65.535 -1.962 -0.229 1.00 0.00 H new ATOM 0 HA SER A 141 65.861 0.718 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 141 63.711 -0.744 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 141 63.987 -1.557 1.822 1.00 0.00 H new ATOM 0 HG SER A 141 62.611 0.561 1.645 1.00 0.00 H new ATOM 829 N ASP A 142 66.377 -2.094 2.679 1.00 0.00 N ATOM 830 CA ASP A 142 67.068 -2.612 3.893 1.00 0.00 C ATOM 831 C ASP A 142 68.423 -1.921 4.076 1.00 0.00 C ATOM 832 O ASP A 142 69.417 -2.322 3.505 1.00 0.00 O ATOM 833 CB ASP A 142 67.260 -4.106 3.634 1.00 0.00 C ATOM 834 CG ASP A 142 66.314 -4.905 4.532 1.00 0.00 C ATOM 835 OD1 ASP A 142 65.313 -4.347 4.950 1.00 0.00 O ATOM 836 OD2 ASP A 142 66.609 -6.061 4.789 1.00 0.00 O ATOM 0 H ASP A 142 65.924 -2.803 2.102 1.00 0.00 H new ATOM 0 HA ASP A 142 66.495 -2.424 4.801 1.00 0.00 H new ATOM 0 HB2 ASP A 142 67.062 -4.333 2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 142 68.293 -4.390 3.832 1.00 0.00 H new ATOM 841 N LYS A 143 68.470 -0.891 4.874 1.00 0.00 N ATOM 842 CA LYS A 143 69.761 -0.181 5.100 1.00 0.00 C ATOM 843 C LYS A 143 70.649 -0.998 6.044 1.00 0.00 C ATOM 844 O LYS A 143 71.765 -0.622 6.346 1.00 0.00 O ATOM 845 CB LYS A 143 69.374 1.152 5.743 1.00 0.00 C ATOM 846 CG LYS A 143 70.616 2.035 5.876 1.00 0.00 C ATOM 847 CD LYS A 143 70.472 3.258 4.969 1.00 0.00 C ATOM 848 CE LYS A 143 71.852 3.687 4.464 1.00 0.00 C ATOM 849 NZ LYS A 143 71.940 3.144 3.081 1.00 0.00 N ATOM 0 H LYS A 143 67.671 -0.510 5.380 1.00 0.00 H new ATOM 0 HA LYS A 143 70.323 -0.037 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 143 68.621 1.655 5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 143 68.931 0.980 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 143 70.742 2.350 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 143 71.508 1.470 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 143 69.822 3.024 4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 143 70.003 4.076 5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 143 71.955 4.772 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 143 72.645 3.288 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 72.797 3.509 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 71.982 2.105 3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 71.103 3.438 2.539 1.00 0.00 H new ATOM 863 N ASN A 144 70.160 -2.114 6.509 1.00 0.00 N ATOM 864 CA ASN A 144 70.968 -2.963 7.431 1.00 0.00 C ATOM 865 C ASN A 144 70.518 -4.423 7.319 1.00 0.00 C ATOM 866 O ASN A 144 70.636 -5.195 8.250 1.00 0.00 O ATOM 867 CB ASN A 144 70.686 -2.411 8.830 1.00 0.00 C ATOM 868 CG ASN A 144 69.303 -2.868 9.299 1.00 0.00 C ATOM 869 OD1 ASN A 144 69.192 -3.695 10.183 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.238 -2.361 8.743 1.00 0.00 N ATOM 0 H ASN A 144 69.232 -2.476 6.290 1.00 0.00 H new ATOM 0 HA ASN A 144 72.033 -2.939 7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 144 71.449 -2.756 9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.734 -1.322 8.818 1.00 0.00 H new ATOM 0 HD21 ASN A 144 67.312 -2.658 9.050 1.00 0.00 H new ATOM 0 HD22 ASN A 144 68.331 -1.667 8.001 1.00 0.00 H new ATOM 877 N ASN A 145 70.000 -4.803 6.183 1.00 0.00 N ATOM 878 CA ASN A 145 69.537 -6.208 6.001 1.00 0.00 C ATOM 879 C ASN A 145 68.757 -6.679 7.231 1.00 0.00 C ATOM 880 O ASN A 145 69.253 -7.440 8.038 1.00 0.00 O ATOM 881 CB ASN A 145 70.811 -7.032 5.829 1.00 0.00 C ATOM 882 CG ASN A 145 71.496 -6.648 4.515 1.00 0.00 C ATOM 883 OD1 ASN A 145 70.845 -6.250 3.571 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.793 -6.755 4.415 1.00 0.00 N ATOM 0 H ASN A 145 69.877 -4.199 5.370 1.00 0.00 H new ATOM 0 HA ASN A 145 68.869 -6.308 5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.485 -6.857 6.667 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.571 -8.095 5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 145 73.260 -6.504 3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 145 73.340 -7.089 5.208 1.00 0.00 H new ATOM 891 N ASP A 146 67.540 -6.235 7.378 1.00 0.00 N ATOM 892 CA ASP A 146 66.727 -6.663 8.552 1.00 0.00 C ATOM 893 C ASP A 146 65.443 -7.353 8.077 1.00 0.00 C ATOM 894 O ASP A 146 64.634 -7.794 8.868 1.00 0.00 O ATOM 895 CB ASP A 146 66.400 -5.371 9.300 1.00 0.00 C ATOM 896 CG ASP A 146 65.696 -4.399 8.354 1.00 0.00 C ATOM 897 OD1 ASP A 146 64.483 -4.475 8.254 1.00 0.00 O ATOM 898 OD2 ASP A 146 66.383 -3.595 7.744 1.00 0.00 O ATOM 0 H ASP A 146 67.073 -5.594 6.736 1.00 0.00 H new ATOM 0 HA ASP A 146 67.255 -7.375 9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.763 -5.586 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 146 67.314 -4.921 9.687 1.00 0.00 H new ATOM 903 N GLY A 147 65.258 -7.453 6.788 1.00 0.00 N ATOM 904 CA GLY A 147 64.034 -8.120 6.257 1.00 0.00 C ATOM 905 C GLY A 147 62.804 -7.244 6.510 1.00 0.00 C ATOM 906 O GLY A 147 61.692 -7.727 6.567 1.00 0.00 O ATOM 0 H GLY A 147 65.902 -7.101 6.079 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.145 -8.304 5.188 1.00 0.00 H new ATOM 0 HA3 GLY A 147 63.903 -9.091 6.735 1.00 0.00 H new ATOM 910 N ARG A 148 62.989 -5.960 6.657 1.00 0.00 N ATOM 911 CA ARG A 148 61.820 -5.063 6.900 1.00 0.00 C ATOM 912 C ARG A 148 62.165 -3.620 6.521 1.00 0.00 C ATOM 913 O ARG A 148 63.223 -3.118 6.847 1.00 0.00 O ATOM 914 CB ARG A 148 61.533 -5.175 8.399 1.00 0.00 C ATOM 915 CG ARG A 148 60.877 -6.526 8.695 1.00 0.00 C ATOM 916 CD ARG A 148 59.968 -6.395 9.919 1.00 0.00 C ATOM 917 NE ARG A 148 60.487 -7.396 10.892 1.00 0.00 N ATOM 918 CZ ARG A 148 60.011 -8.611 10.896 1.00 0.00 C ATOM 919 NH1 ARG A 148 58.771 -8.827 11.242 1.00 0.00 N ATOM 920 NH2 ARG A 148 60.776 -9.611 10.553 1.00 0.00 N ATOM 0 H ARG A 148 63.895 -5.493 6.620 1.00 0.00 H new ATOM 0 HA ARG A 148 60.955 -5.346 6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.459 -5.077 8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 148 60.878 -4.364 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 148 60.298 -6.858 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.642 -7.282 8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 148 60.005 -5.387 10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 148 58.928 -6.596 9.662 1.00 0.00 H new ATOM 0 HE ARG A 148 61.215 -7.132 11.556 1.00 0.00 H new ATOM 0 HH11 ARG A 148 58.173 -8.045 11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 148 58.400 -9.777 11.245 1.00 0.00 H new ATOM 0 HH21 ARG A 148 61.745 -9.442 10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 148 60.405 -10.561 10.556 1.00 0.00 H new ATOM 934 N ILE A 149 61.281 -2.948 5.834 1.00 0.00 N ATOM 935 CA ILE A 149 61.558 -1.538 5.434 1.00 0.00 C ATOM 936 C ILE A 149 61.037 -0.569 6.500 1.00 0.00 C ATOM 937 O ILE A 149 59.940 -0.714 7.001 1.00 0.00 O ATOM 938 CB ILE A 149 60.804 -1.347 4.116 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.606 -1.972 2.973 1.00 0.00 C ATOM 940 CG2 ILE A 149 60.612 0.146 3.838 1.00 0.00 C ATOM 941 CD1 ILE A 149 60.662 -2.333 1.827 1.00 0.00 C ATOM 0 H ILE A 149 60.378 -3.315 5.532 1.00 0.00 H new ATOM 0 HA ILE A 149 62.625 -1.341 5.326 1.00 0.00 H new ATOM 0 HB ILE A 149 59.830 -1.830 4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.368 -1.274 2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.126 -2.863 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.075 0.275 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.039 0.596 4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 149 61.586 0.631 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.233 -2.778 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 149 59.917 -3.046 2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.162 -1.433 1.470 1.00 0.00 H new ATOM 953 N ASP A 150 61.810 0.425 6.841 1.00 0.00 N ATOM 954 CA ASP A 150 61.352 1.410 7.862 1.00 0.00 C ATOM 955 C ASP A 150 61.129 2.774 7.207 1.00 0.00 C ATOM 956 O ASP A 150 61.199 2.911 6.001 1.00 0.00 O ATOM 957 CB ASP A 150 62.486 1.482 8.888 1.00 0.00 C ATOM 958 CG ASP A 150 63.721 2.113 8.246 1.00 0.00 C ATOM 959 OD1 ASP A 150 63.832 2.051 7.033 1.00 0.00 O ATOM 960 OD2 ASP A 150 64.538 2.647 8.978 1.00 0.00 O ATOM 0 H ASP A 150 62.739 0.598 6.457 1.00 0.00 H new ATOM 0 HA ASP A 150 60.409 1.119 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.172 2.070 9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 150 62.724 0.483 9.252 1.00 0.00 H new ATOM 965 N PHE A 151 60.860 3.784 7.986 1.00 0.00 N ATOM 966 CA PHE A 151 60.632 5.136 7.398 1.00 0.00 C ATOM 967 C PHE A 151 61.932 5.685 6.802 1.00 0.00 C ATOM 968 O PHE A 151 61.918 6.468 5.872 1.00 0.00 O ATOM 969 CB PHE A 151 60.160 6.007 8.565 1.00 0.00 C ATOM 970 CG PHE A 151 61.198 5.996 9.663 1.00 0.00 C ATOM 971 CD1 PHE A 151 62.294 6.863 9.600 1.00 0.00 C ATOM 972 CD2 PHE A 151 61.059 5.120 10.748 1.00 0.00 C ATOM 973 CE1 PHE A 151 63.253 6.855 10.621 1.00 0.00 C ATOM 974 CE2 PHE A 151 62.018 5.111 11.767 1.00 0.00 C ATOM 975 CZ PHE A 151 63.115 5.978 11.705 1.00 0.00 C ATOM 0 H PHE A 151 60.788 3.734 9.002 1.00 0.00 H new ATOM 0 HA PHE A 151 59.902 5.114 6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 151 59.989 7.028 8.223 1.00 0.00 H new ATOM 0 HB3 PHE A 151 59.209 5.636 8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 151 62.401 7.539 8.764 1.00 0.00 H new ATOM 0 HD2 PHE A 151 60.212 4.452 10.798 1.00 0.00 H new ATOM 0 HE1 PHE A 151 64.099 7.525 10.573 1.00 0.00 H new ATOM 0 HE2 PHE A 151 61.912 4.434 12.602 1.00 0.00 H new ATOM 0 HZ PHE A 151 63.855 5.971 12.492 1.00 0.00 H new ATOM 985 N ASP A 152 63.055 5.284 7.332 1.00 0.00 N ATOM 986 CA ASP A 152 64.354 5.786 6.798 1.00 0.00 C ATOM 987 C ASP A 152 64.723 5.057 5.502 1.00 0.00 C ATOM 988 O ASP A 152 65.189 5.658 4.553 1.00 0.00 O ATOM 989 CB ASP A 152 65.375 5.478 7.894 1.00 0.00 C ATOM 990 CG ASP A 152 66.012 6.780 8.383 1.00 0.00 C ATOM 991 OD1 ASP A 152 65.481 7.833 8.067 1.00 0.00 O ATOM 992 OD2 ASP A 152 67.021 6.703 9.065 1.00 0.00 O ATOM 0 H ASP A 152 63.130 4.631 8.112 1.00 0.00 H new ATOM 0 HA ASP A 152 64.315 6.849 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 152 64.889 4.965 8.724 1.00 0.00 H new ATOM 0 HB3 ASP A 152 66.144 4.807 7.511 1.00 0.00 H new ATOM 997 N GLU A 153 64.528 3.768 5.454 1.00 0.00 N ATOM 998 CA GLU A 153 64.878 3.007 4.218 1.00 0.00 C ATOM 999 C GLU A 153 63.916 3.360 3.080 1.00 0.00 C ATOM 1000 O GLU A 153 64.305 3.445 1.932 1.00 0.00 O ATOM 1001 CB GLU A 153 64.740 1.534 4.607 1.00 0.00 C ATOM 1002 CG GLU A 153 65.836 1.171 5.612 1.00 0.00 C ATOM 1003 CD GLU A 153 65.497 -0.160 6.286 1.00 0.00 C ATOM 1004 OE1 GLU A 153 64.517 -0.768 5.892 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.224 -0.547 7.186 1.00 0.00 O ATOM 0 H GLU A 153 64.142 3.208 6.215 1.00 0.00 H new ATOM 0 HA GLU A 153 65.881 3.241 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 153 63.757 1.351 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 153 64.819 0.903 3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 153 66.798 1.098 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 153 65.930 1.956 6.362 1.00 0.00 H new ATOM 1012 N PHE A 154 62.665 3.563 3.385 1.00 0.00 N ATOM 1013 CA PHE A 154 61.684 3.907 2.314 1.00 0.00 C ATOM 1014 C PHE A 154 62.183 5.105 1.499 1.00 0.00 C ATOM 1015 O PHE A 154 61.938 5.204 0.313 1.00 0.00 O ATOM 1016 CB PHE A 154 60.395 4.263 3.056 1.00 0.00 C ATOM 1017 CG PHE A 154 59.212 3.665 2.332 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.053 3.877 0.958 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.273 2.902 3.036 1.00 0.00 C ATOM 1020 CE1 PHE A 154 57.956 3.324 0.286 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.175 2.349 2.365 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.017 2.560 0.990 1.00 0.00 C ATOM 0 H PHE A 154 62.278 3.506 4.327 1.00 0.00 H new ATOM 0 HA PHE A 154 61.537 3.086 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.436 3.887 4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 154 60.287 5.346 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.777 4.467 0.416 1.00 0.00 H new ATOM 0 HD2 PHE A 154 58.395 2.740 4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 154 57.834 3.487 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 154 56.451 1.760 2.908 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.171 2.133 0.472 1.00 0.00 H new ATOM 1032 N LEU A 155 62.878 6.016 2.125 1.00 0.00 N ATOM 1033 CA LEU A 155 63.386 7.206 1.380 1.00 0.00 C ATOM 1034 C LEU A 155 64.508 6.798 0.422 1.00 0.00 C ATOM 1035 O LEU A 155 64.395 6.942 -0.779 1.00 0.00 O ATOM 1036 CB LEU A 155 63.922 8.150 2.458 1.00 0.00 C ATOM 1037 CG LEU A 155 62.800 8.508 3.434 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.337 9.471 4.494 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.655 9.179 2.671 1.00 0.00 C ATOM 0 H LEU A 155 63.116 5.989 3.117 1.00 0.00 H new ATOM 0 HA LEU A 155 62.609 7.673 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.745 7.677 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 155 64.319 9.055 1.998 1.00 0.00 H new ATOM 0 HG LEU A 155 62.434 7.601 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 155 62.539 9.727 5.191 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.154 8.996 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 155 63.702 10.377 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 155 60.855 9.434 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.021 10.086 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.273 8.495 1.913 1.00 0.00 H new ATOM 1051 N LYS A 156 65.595 6.298 0.945 1.00 0.00 N ATOM 1052 CA LYS A 156 66.730 5.888 0.065 1.00 0.00 C ATOM 1053 C LYS A 156 66.246 4.924 -1.024 1.00 0.00 C ATOM 1054 O LYS A 156 66.734 4.934 -2.137 1.00 0.00 O ATOM 1055 CB LYS A 156 67.718 5.185 0.997 1.00 0.00 C ATOM 1056 CG LYS A 156 68.161 6.149 2.100 1.00 0.00 C ATOM 1057 CD LYS A 156 69.360 5.556 2.842 1.00 0.00 C ATOM 1058 CE LYS A 156 69.818 6.530 3.930 1.00 0.00 C ATOM 1059 NZ LYS A 156 71.168 6.983 3.497 1.00 0.00 N ATOM 0 H LYS A 156 65.747 6.155 1.943 1.00 0.00 H new ATOM 0 HA LYS A 156 67.180 6.740 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 156 67.253 4.303 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 156 68.584 4.841 0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 156 68.427 7.114 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 156 67.340 6.326 2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 156 69.089 4.598 3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 156 70.175 5.364 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 156 69.130 7.371 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 156 69.859 6.043 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 71.749 7.191 4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 71.623 6.234 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 71.077 7.841 2.917 1.00 0.00 H new ATOM 1073 N MET A 157 65.298 4.086 -0.709 1.00 0.00 N ATOM 1074 CA MET A 157 64.792 3.113 -1.722 1.00 0.00 C ATOM 1075 C MET A 157 64.360 3.843 -3.003 1.00 0.00 C ATOM 1076 O MET A 157 64.737 3.472 -4.096 1.00 0.00 O ATOM 1077 CB MET A 157 63.610 2.410 -1.025 1.00 0.00 C ATOM 1078 CG MET A 157 62.264 2.868 -1.605 1.00 0.00 C ATOM 1079 SD MET A 157 60.941 1.809 -0.965 1.00 0.00 S ATOM 1080 CE MET A 157 61.374 0.313 -1.889 1.00 0.00 C ATOM 0 H MET A 157 64.850 4.031 0.206 1.00 0.00 H new ATOM 0 HA MET A 157 65.549 2.396 -2.039 1.00 0.00 H new ATOM 0 HB2 MET A 157 63.708 1.330 -1.139 1.00 0.00 H new ATOM 0 HB3 MET A 157 63.638 2.622 0.044 1.00 0.00 H new ATOM 0 HG2 MET A 157 62.075 3.907 -1.337 1.00 0.00 H new ATOM 0 HG3 MET A 157 62.289 2.819 -2.694 1.00 0.00 H new ATOM 0 HE1 MET A 157 61.166 -0.565 -1.278 1.00 0.00 H new ATOM 0 HE2 MET A 157 60.783 0.267 -2.804 1.00 0.00 H new ATOM 0 HE3 MET A 157 62.434 0.336 -2.142 1.00 0.00 H new ATOM 1090 N MET A 158 63.567 4.869 -2.874 1.00 0.00 N ATOM 1091 CA MET A 158 63.106 5.613 -4.082 1.00 0.00 C ATOM 1092 C MET A 158 63.943 6.883 -4.281 1.00 0.00 C ATOM 1093 O MET A 158 63.858 7.541 -5.297 1.00 0.00 O ATOM 1094 CB MET A 158 61.646 5.966 -3.792 1.00 0.00 C ATOM 1095 CG MET A 158 61.089 6.834 -4.922 1.00 0.00 C ATOM 1096 SD MET A 158 60.499 8.405 -4.243 1.00 0.00 S ATOM 1097 CE MET A 158 62.054 8.925 -3.476 1.00 0.00 C ATOM 0 H MET A 158 63.217 5.226 -1.985 1.00 0.00 H new ATOM 0 HA MET A 158 63.211 5.026 -4.994 1.00 0.00 H new ATOM 0 HB2 MET A 158 61.054 5.056 -3.695 1.00 0.00 H new ATOM 0 HB3 MET A 158 61.572 6.497 -2.843 1.00 0.00 H new ATOM 0 HG2 MET A 158 61.861 7.016 -5.669 1.00 0.00 H new ATOM 0 HG3 MET A 158 60.274 6.315 -5.426 1.00 0.00 H new ATOM 0 HE1 MET A 158 61.910 9.882 -2.974 1.00 0.00 H new ATOM 0 HE2 MET A 158 62.368 8.177 -2.748 1.00 0.00 H new ATOM 0 HE3 MET A 158 62.821 9.029 -4.243 1.00 0.00 H new