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 Set 1.1: A 141 SER OG : rot 22:sc= -1.01 USER MOD Set 1.2: A 157 MET CE :methyl -155:sc= -0.886 (180deg=-2.97!) USER MOD Single : A 100 ASN : amide:sc= -1.12 K(o=-1.1,f=-3!) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.17) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HE2:sc= 0.599 K(o=0.6,f=-7.9!) USER MOD Single : A 138 MET CE :methyl -143:sc= -3.66! (180deg=-4.69!) USER MOD Single : A 139 LYS NZ :NH3+ -124:sc= -0.124 (180deg=-0.361) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -0.463 K(o=-0.46,f=-1.2) USER MOD Single : A 145 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1.5!) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N GLU A 96 58.234 14.812 6.060 1.00 0.00 N ATOM 116 CA GLU A 96 56.833 14.488 6.456 1.00 0.00 C ATOM 117 C GLU A 96 56.054 13.973 5.244 1.00 0.00 C ATOM 118 O GLU A 96 55.262 13.058 5.345 1.00 0.00 O ATOM 119 CB GLU A 96 56.247 15.811 6.952 1.00 0.00 C ATOM 120 CG GLU A 96 54.800 15.594 7.401 1.00 0.00 C ATOM 121 CD GLU A 96 54.683 15.874 8.899 1.00 0.00 C ATOM 122 OE1 GLU A 96 55.184 16.900 9.331 1.00 0.00 O ATOM 123 OE2 GLU A 96 54.092 15.060 9.590 1.00 0.00 O ATOM 0 HA GLU A 96 56.784 13.712 7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 96 56.842 16.196 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 96 56.284 16.557 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 96 54.133 16.252 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 96 54.491 14.571 7.186 1.00 0.00 H new ATOM 130 N GLU A 97 56.276 14.555 4.097 1.00 0.00 N ATOM 131 CA GLU A 97 55.553 14.098 2.876 1.00 0.00 C ATOM 132 C GLU A 97 55.660 12.577 2.739 1.00 0.00 C ATOM 133 O GLU A 97 54.682 11.864 2.843 1.00 0.00 O ATOM 134 CB GLU A 97 56.264 14.791 1.713 1.00 0.00 C ATOM 135 CG GLU A 97 55.381 14.731 0.465 1.00 0.00 C ATOM 136 CD GLU A 97 54.529 15.999 0.381 1.00 0.00 C ATOM 137 OE1 GLU A 97 54.602 16.800 1.299 1.00 0.00 O ATOM 138 OE2 GLU A 97 53.820 16.149 -0.600 1.00 0.00 O ATOM 0 H GLU A 97 56.927 15.327 3.953 1.00 0.00 H new ATOM 0 HA GLU A 97 54.491 14.341 2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 97 56.478 15.828 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 97 57.221 14.307 1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 97 56.000 14.636 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 97 54.739 13.851 0.503 1.00 0.00 H new ATOM 145 N LEU A 98 56.843 12.076 2.507 1.00 0.00 N ATOM 146 CA LEU A 98 57.013 10.603 2.365 1.00 0.00 C ATOM 147 C LEU A 98 56.346 9.881 3.539 1.00 0.00 C ATOM 148 O LEU A 98 55.640 8.909 3.363 1.00 0.00 O ATOM 149 CB LEU A 98 58.525 10.375 2.386 1.00 0.00 C ATOM 150 CG LEU A 98 59.040 10.232 0.953 1.00 0.00 C ATOM 151 CD1 LEU A 98 60.385 10.950 0.820 1.00 0.00 C ATOM 152 CD2 LEU A 98 59.222 8.749 0.624 1.00 0.00 C ATOM 0 H LEU A 98 57.698 12.623 2.410 1.00 0.00 H new ATOM 0 HA LEU A 98 56.556 10.219 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 98 59.022 11.209 2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.760 9.478 2.959 1.00 0.00 H new ATOM 0 HG LEU A 98 58.321 10.674 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 98 60.752 10.848 -0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 98 60.258 12.006 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 98 61.104 10.507 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 98 59.589 8.645 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 98 59.941 8.309 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 98 58.266 8.235 0.720 1.00 0.00 H new ATOM 164 N ALA A 99 56.566 10.353 4.735 1.00 0.00 N ATOM 165 CA ALA A 99 55.945 9.697 5.921 1.00 0.00 C ATOM 166 C ALA A 99 54.456 9.450 5.671 1.00 0.00 C ATOM 167 O ALA A 99 53.927 8.404 5.993 1.00 0.00 O ATOM 168 CB ALA A 99 56.140 10.689 7.068 1.00 0.00 C ATOM 0 H ALA A 99 57.149 11.164 4.943 1.00 0.00 H new ATOM 0 HA ALA A 99 56.394 8.728 6.139 1.00 0.00 H new ATOM 0 HB1 ALA A 99 55.708 10.279 7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 99 57.205 10.867 7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 99 55.646 11.629 6.824 1.00 0.00 H new ATOM 174 N ASN A 100 53.775 10.406 5.101 1.00 0.00 N ATOM 175 CA ASN A 100 52.319 10.229 4.832 1.00 0.00 C ATOM 176 C ASN A 100 52.058 8.877 4.159 1.00 0.00 C ATOM 177 O ASN A 100 51.155 8.155 4.529 1.00 0.00 O ATOM 178 CB ASN A 100 51.949 11.371 3.884 1.00 0.00 C ATOM 179 CG ASN A 100 52.290 12.711 4.538 1.00 0.00 C ATOM 180 OD1 ASN A 100 52.605 12.766 5.710 1.00 0.00 O ATOM 181 ND2 ASN A 100 52.238 13.802 3.824 1.00 0.00 N ATOM 0 H ASN A 100 54.164 11.303 4.810 1.00 0.00 H new ATOM 0 HA ASN A 100 51.730 10.247 5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 100 52.490 11.266 2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 100 50.886 11.331 3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 100 52.462 14.701 4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 100 51.973 13.755 2.840 1.00 0.00 H new ATOM 188 N CYS A 101 52.835 8.539 3.168 1.00 0.00 N ATOM 189 CA CYS A 101 52.626 7.241 2.461 1.00 0.00 C ATOM 190 C CYS A 101 53.196 6.076 3.277 1.00 0.00 C ATOM 191 O CYS A 101 52.761 4.948 3.147 1.00 0.00 O ATOM 192 CB CYS A 101 53.385 7.389 1.142 1.00 0.00 C ATOM 193 SG CYS A 101 52.255 7.980 -0.141 1.00 0.00 S ATOM 0 H CYS A 101 53.607 9.105 2.816 1.00 0.00 H new ATOM 0 HA CYS A 101 51.568 7.025 2.311 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.213 8.088 1.263 1.00 0.00 H new ATOM 0 HB3 CYS A 101 53.816 6.432 0.849 1.00 0.00 H new ATOM 0 HG CYS A 101 52.900 8.108 -1.262 1.00 0.00 H new ATOM 199 N PHE A 102 54.166 6.332 4.110 1.00 0.00 N ATOM 200 CA PHE A 102 54.760 5.228 4.921 1.00 0.00 C ATOM 201 C PHE A 102 53.669 4.463 5.677 1.00 0.00 C ATOM 202 O PHE A 102 53.468 3.282 5.468 1.00 0.00 O ATOM 203 CB PHE A 102 55.704 5.918 5.905 1.00 0.00 C ATOM 204 CG PHE A 102 56.406 4.874 6.740 1.00 0.00 C ATOM 205 CD1 PHE A 102 56.869 3.696 6.144 1.00 0.00 C ATOM 206 CD2 PHE A 102 56.594 5.084 8.112 1.00 0.00 C ATOM 207 CE1 PHE A 102 57.519 2.727 6.918 1.00 0.00 C ATOM 208 CE2 PHE A 102 57.244 4.116 8.887 1.00 0.00 C ATOM 209 CZ PHE A 102 57.706 2.937 8.289 1.00 0.00 C ATOM 0 H PHE A 102 54.573 7.254 4.265 1.00 0.00 H new ATOM 0 HA PHE A 102 55.278 4.501 4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.435 6.519 5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.144 6.598 6.547 1.00 0.00 H new ATOM 0 HD1 PHE A 102 56.725 3.534 5.086 1.00 0.00 H new ATOM 0 HD2 PHE A 102 56.237 5.993 8.572 1.00 0.00 H new ATOM 0 HE1 PHE A 102 57.876 1.818 6.457 1.00 0.00 H new ATOM 0 HE2 PHE A 102 57.389 4.278 9.945 1.00 0.00 H new ATOM 0 HZ PHE A 102 58.207 2.189 8.886 1.00 0.00 H new ATOM 219 N ARG A 103 52.973 5.122 6.562 1.00 0.00 N ATOM 220 CA ARG A 103 51.906 4.429 7.343 1.00 0.00 C ATOM 221 C ARG A 103 50.866 3.798 6.409 1.00 0.00 C ATOM 222 O ARG A 103 50.235 2.816 6.745 1.00 0.00 O ATOM 223 CB ARG A 103 51.266 5.523 8.200 1.00 0.00 C ATOM 224 CG ARG A 103 50.612 6.571 7.298 1.00 0.00 C ATOM 225 CD ARG A 103 50.158 7.759 8.148 1.00 0.00 C ATOM 226 NE ARG A 103 48.695 7.558 8.344 1.00 0.00 N ATOM 227 CZ ARG A 103 48.055 8.254 9.244 1.00 0.00 C ATOM 228 NH1 ARG A 103 48.050 9.558 9.178 1.00 0.00 N ATOM 229 NH2 ARG A 103 47.420 7.649 10.211 1.00 0.00 N ATOM 0 H ARG A 103 53.096 6.111 6.779 1.00 0.00 H new ATOM 0 HA ARG A 103 52.310 3.617 7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 103 50.521 5.087 8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 103 52.021 5.993 8.830 1.00 0.00 H new ATOM 0 HG2 ARG A 103 51.318 6.903 6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 103 49.760 6.137 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 103 50.684 7.785 9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 103 50.362 8.704 7.646 1.00 0.00 H new ATOM 0 HE ARG A 103 48.193 6.876 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 103 48.546 10.032 8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 103 47.550 10.102 9.881 1.00 0.00 H new ATOM 0 HH21 ARG A 103 47.423 6.630 10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 103 46.921 8.195 10.913 1.00 0.00 H new ATOM 243 N ILE A 104 50.679 4.351 5.241 1.00 0.00 N ATOM 244 CA ILE A 104 49.676 3.775 4.301 1.00 0.00 C ATOM 245 C ILE A 104 50.054 2.339 3.929 1.00 0.00 C ATOM 246 O ILE A 104 49.210 1.533 3.589 1.00 0.00 O ATOM 247 CB ILE A 104 49.723 4.677 3.070 1.00 0.00 C ATOM 248 CG1 ILE A 104 49.297 6.093 3.464 1.00 0.00 C ATOM 249 CG2 ILE A 104 48.771 4.135 2.005 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.861 6.067 3.987 1.00 0.00 C ATOM 0 H ILE A 104 51.175 5.174 4.898 1.00 0.00 H new ATOM 0 HA ILE A 104 48.679 3.734 4.740 1.00 0.00 H new ATOM 0 HB ILE A 104 50.737 4.699 2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 104 49.967 6.486 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 104 49.370 6.759 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 104 48.804 4.779 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 104 49.073 3.125 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 104 47.756 4.114 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 104 47.558 7.076 4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 104 47.197 5.692 3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.803 5.415 4.859 1.00 0.00 H new ATOM 262 N PHE A 105 51.316 2.013 3.989 1.00 0.00 N ATOM 263 CA PHE A 105 51.743 0.629 3.636 1.00 0.00 C ATOM 264 C PHE A 105 51.611 -0.293 4.851 1.00 0.00 C ATOM 265 O PHE A 105 51.387 -1.480 4.721 1.00 0.00 O ATOM 266 CB PHE A 105 53.206 0.760 3.215 1.00 0.00 C ATOM 267 CG PHE A 105 53.283 0.917 1.715 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.321 1.679 1.040 1.00 0.00 C ATOM 269 CD2 PHE A 105 54.315 0.300 0.998 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.392 1.825 -0.350 1.00 0.00 C ATOM 271 CE2 PHE A 105 54.386 0.446 -0.392 1.00 0.00 C ATOM 272 CZ PHE A 105 53.425 1.208 -1.067 1.00 0.00 C ATOM 0 H PHE A 105 52.068 2.643 4.266 1.00 0.00 H new ATOM 0 HA PHE A 105 51.130 0.197 2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.662 1.620 3.706 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.767 -0.120 3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 105 51.524 2.154 1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 105 55.056 -0.289 1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 105 51.650 2.413 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 105 55.183 -0.030 -0.944 1.00 0.00 H new ATOM 0 HZ PHE A 105 53.480 1.320 -2.140 1.00 0.00 H new ATOM 282 N ASP A 106 51.748 0.244 6.034 1.00 0.00 N ATOM 283 CA ASP A 106 51.630 -0.603 7.256 1.00 0.00 C ATOM 284 C ASP A 106 50.155 -0.847 7.586 1.00 0.00 C ATOM 285 O ASP A 106 49.412 0.072 7.869 1.00 0.00 O ATOM 286 CB ASP A 106 52.302 0.205 8.367 1.00 0.00 C ATOM 287 CG ASP A 106 52.616 -0.715 9.549 1.00 0.00 C ATOM 288 OD1 ASP A 106 51.956 -1.734 9.673 1.00 0.00 O ATOM 289 OD2 ASP A 106 53.512 -0.386 10.309 1.00 0.00 O ATOM 0 H ASP A 106 51.936 1.231 6.207 1.00 0.00 H new ATOM 0 HA ASP A 106 52.094 -1.581 7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 106 53.219 0.662 7.995 1.00 0.00 H new ATOM 0 HB3 ASP A 106 51.648 1.016 8.688 1.00 0.00 H new ATOM 294 N LYS A 107 49.724 -2.078 7.551 1.00 0.00 N ATOM 295 CA LYS A 107 48.296 -2.376 7.861 1.00 0.00 C ATOM 296 C LYS A 107 48.179 -3.044 9.233 1.00 0.00 C ATOM 297 O LYS A 107 47.101 -3.188 9.774 1.00 0.00 O ATOM 298 CB LYS A 107 47.844 -3.333 6.759 1.00 0.00 C ATOM 299 CG LYS A 107 46.565 -2.799 6.112 1.00 0.00 C ATOM 300 CD LYS A 107 46.843 -2.441 4.651 1.00 0.00 C ATOM 301 CE LYS A 107 47.755 -1.214 4.591 1.00 0.00 C ATOM 302 NZ LYS A 107 47.602 -0.689 3.207 1.00 0.00 N ATOM 0 H LYS A 107 50.298 -2.890 7.322 1.00 0.00 H new ATOM 0 HA LYS A 107 47.685 -1.474 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.628 -3.437 6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.667 -4.325 7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 107 45.775 -3.548 6.170 1.00 0.00 H new ATOM 0 HG3 LYS A 107 46.211 -1.921 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 107 47.314 -3.282 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 107 45.907 -2.237 4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 107 47.463 -0.468 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 107 48.791 -1.481 4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 48.172 0.174 3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 47.925 -1.406 2.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 46.602 -0.468 3.028 1.00 0.00 H new ATOM 316 N ASN A 108 49.279 -3.456 9.801 1.00 0.00 N ATOM 317 CA ASN A 108 49.224 -4.117 11.136 1.00 0.00 C ATOM 318 C ASN A 108 49.971 -3.277 12.176 1.00 0.00 C ATOM 319 O ASN A 108 50.303 -3.748 13.245 1.00 0.00 O ATOM 320 CB ASN A 108 49.911 -5.468 10.940 1.00 0.00 C ATOM 321 CG ASN A 108 48.992 -6.399 10.148 1.00 0.00 C ATOM 322 OD1 ASN A 108 48.120 -7.033 10.709 1.00 0.00 O ATOM 323 ND2 ASN A 108 49.151 -6.510 8.858 1.00 0.00 N ATOM 0 H ASN A 108 50.212 -3.364 9.399 1.00 0.00 H new ATOM 0 HA ASN A 108 48.202 -4.230 11.498 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.854 -5.335 10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 108 50.148 -5.911 11.907 1.00 0.00 H new ATOM 0 HD21 ASN A 108 48.544 -7.129 8.321 1.00 0.00 H new ATOM 0 HD22 ASN A 108 49.883 -5.978 8.387 1.00 0.00 H new ATOM 330 N ALA A 109 50.238 -2.037 11.870 1.00 0.00 N ATOM 331 CA ALA A 109 50.964 -1.170 12.843 1.00 0.00 C ATOM 332 C ALA A 109 52.137 -1.936 13.460 1.00 0.00 C ATOM 333 O ALA A 109 52.055 -2.428 14.567 1.00 0.00 O ATOM 334 CB ALA A 109 49.929 -0.823 13.913 1.00 0.00 C ATOM 0 H ALA A 109 49.986 -1.587 10.990 1.00 0.00 H new ATOM 0 HA ALA A 109 51.379 -0.278 12.373 1.00 0.00 H new ATOM 0 HB1 ALA A 109 50.387 -0.185 14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 109 49.092 -0.298 13.453 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.569 -1.739 14.382 1.00 0.00 H new ATOM 340 N ASP A 110 53.227 -2.039 12.750 1.00 0.00 N ATOM 341 CA ASP A 110 54.405 -2.774 13.296 1.00 0.00 C ATOM 342 C ASP A 110 55.588 -1.818 13.478 1.00 0.00 C ATOM 343 O ASP A 110 56.388 -1.970 14.379 1.00 0.00 O ATOM 344 CB ASP A 110 54.734 -3.834 12.242 1.00 0.00 C ATOM 345 CG ASP A 110 53.455 -4.567 11.837 1.00 0.00 C ATOM 346 OD1 ASP A 110 52.946 -5.322 12.650 1.00 0.00 O ATOM 347 OD2 ASP A 110 53.006 -4.363 10.721 1.00 0.00 O ATOM 0 H ASP A 110 53.354 -1.647 11.817 1.00 0.00 H new ATOM 0 HA ASP A 110 54.199 -3.216 14.271 1.00 0.00 H new ATOM 0 HB2 ASP A 110 55.189 -3.365 11.369 1.00 0.00 H new ATOM 0 HB3 ASP A 110 55.461 -4.542 12.638 1.00 0.00 H new ATOM 352 N GLY A 111 55.705 -0.839 12.625 1.00 0.00 N ATOM 353 CA GLY A 111 56.837 0.122 12.743 1.00 0.00 C ATOM 354 C GLY A 111 57.784 -0.069 11.558 1.00 0.00 C ATOM 355 O GLY A 111 58.635 0.756 11.288 1.00 0.00 O ATOM 0 H GLY A 111 55.065 -0.663 11.851 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.461 1.145 12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 111 57.370 -0.039 13.680 1.00 0.00 H new ATOM 359 N PHE A 112 57.641 -1.156 10.847 1.00 0.00 N ATOM 360 CA PHE A 112 58.529 -1.409 9.675 1.00 0.00 C ATOM 361 C PHE A 112 57.779 -2.232 8.623 1.00 0.00 C ATOM 362 O PHE A 112 57.025 -3.128 8.946 1.00 0.00 O ATOM 363 CB PHE A 112 59.713 -2.201 10.234 1.00 0.00 C ATOM 364 CG PHE A 112 60.176 -1.575 11.528 1.00 0.00 C ATOM 365 CD1 PHE A 112 60.991 -0.437 11.503 1.00 0.00 C ATOM 366 CD2 PHE A 112 59.787 -2.130 12.752 1.00 0.00 C ATOM 367 CE1 PHE A 112 61.418 0.145 12.703 1.00 0.00 C ATOM 368 CE2 PHE A 112 60.215 -1.549 13.952 1.00 0.00 C ATOM 369 CZ PHE A 112 61.030 -0.412 13.927 1.00 0.00 C ATOM 0 H PHE A 112 56.946 -1.881 11.028 1.00 0.00 H new ATOM 0 HA PHE A 112 58.853 -0.487 9.192 1.00 0.00 H new ATOM 0 HB2 PHE A 112 59.422 -3.238 10.403 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.529 -2.213 9.512 1.00 0.00 H new ATOM 0 HD1 PHE A 112 61.290 -0.008 10.558 1.00 0.00 H new ATOM 0 HD2 PHE A 112 59.157 -3.007 12.771 1.00 0.00 H new ATOM 0 HE1 PHE A 112 62.046 1.023 12.684 1.00 0.00 H new ATOM 0 HE2 PHE A 112 59.916 -1.978 14.897 1.00 0.00 H new ATOM 0 HZ PHE A 112 61.360 0.036 14.853 1.00 0.00 H new ATOM 379 N ILE A 113 57.978 -1.934 7.368 1.00 0.00 N ATOM 380 CA ILE A 113 57.272 -2.700 6.299 1.00 0.00 C ATOM 381 C ILE A 113 58.018 -4.002 5.992 1.00 0.00 C ATOM 382 O ILE A 113 59.213 -4.008 5.772 1.00 0.00 O ATOM 383 CB ILE A 113 57.282 -1.777 5.081 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.423 -0.543 5.372 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.712 -2.520 3.871 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.880 0.617 4.485 1.00 0.00 C ATOM 0 H ILE A 113 58.598 -1.195 7.036 1.00 0.00 H new ATOM 0 HA ILE A 113 56.260 -2.980 6.593 1.00 0.00 H new ATOM 0 HB ILE A 113 58.305 -1.468 4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.372 -0.766 5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 113 56.508 -0.267 6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.719 -1.861 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 113 57.321 -3.400 3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.689 -2.829 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.269 1.496 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.925 0.845 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 113 56.772 0.338 3.437 1.00 0.00 H new ATOM 398 N ASP A 114 57.319 -5.105 5.973 1.00 0.00 N ATOM 399 CA ASP A 114 57.985 -6.407 5.678 1.00 0.00 C ATOM 400 C ASP A 114 57.852 -6.743 4.190 1.00 0.00 C ATOM 401 O ASP A 114 57.321 -5.972 3.415 1.00 0.00 O ATOM 402 CB ASP A 114 57.238 -7.436 6.527 1.00 0.00 C ATOM 403 CG ASP A 114 55.749 -7.402 6.174 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.441 -7.329 4.996 1.00 0.00 O ATOM 405 OD2 ASP A 114 54.942 -7.449 7.088 1.00 0.00 O ATOM 0 H ASP A 114 56.316 -5.161 6.149 1.00 0.00 H new ATOM 0 HA ASP A 114 59.051 -6.386 5.906 1.00 0.00 H new ATOM 0 HB2 ASP A 114 57.642 -8.433 6.350 1.00 0.00 H new ATOM 0 HB3 ASP A 114 57.377 -7.220 7.586 1.00 0.00 H new ATOM 410 N ILE A 115 58.332 -7.888 3.783 1.00 0.00 N ATOM 411 CA ILE A 115 58.232 -8.266 2.342 1.00 0.00 C ATOM 412 C ILE A 115 56.825 -8.779 2.018 1.00 0.00 C ATOM 413 O ILE A 115 56.237 -8.411 1.020 1.00 0.00 O ATOM 414 CB ILE A 115 59.267 -9.374 2.140 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.311 -9.757 0.659 1.00 0.00 C ATOM 416 CG2 ILE A 115 58.883 -10.601 2.969 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.763 -9.971 0.226 1.00 0.00 C ATOM 0 H ILE A 115 58.787 -8.576 4.383 1.00 0.00 H new ATOM 0 HA ILE A 115 58.416 -7.415 1.686 1.00 0.00 H new ATOM 0 HB ILE A 115 60.246 -9.017 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 115 58.733 -10.666 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.853 -8.972 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.624 -11.387 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 115 58.847 -10.330 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 115 57.904 -10.961 2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.792 -10.244 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 115 61.328 -9.051 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.206 -10.771 0.820 1.00 0.00 H new ATOM 429 N GLU A 116 56.279 -9.624 2.849 1.00 0.00 N ATOM 430 CA GLU A 116 54.911 -10.154 2.578 1.00 0.00 C ATOM 431 C GLU A 116 53.956 -9.004 2.248 1.00 0.00 C ATOM 432 O GLU A 116 53.066 -9.139 1.433 1.00 0.00 O ATOM 433 CB GLU A 116 54.493 -10.853 3.872 1.00 0.00 C ATOM 434 CG GLU A 116 54.559 -9.861 5.034 1.00 0.00 C ATOM 435 CD GLU A 116 54.016 -10.522 6.303 1.00 0.00 C ATOM 436 OE1 GLU A 116 53.680 -11.693 6.239 1.00 0.00 O ATOM 437 OE2 GLU A 116 53.944 -9.844 7.315 1.00 0.00 O ATOM 0 H GLU A 116 56.719 -9.970 3.702 1.00 0.00 H new ATOM 0 HA GLU A 116 54.890 -10.834 1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 116 53.482 -11.247 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 116 55.149 -11.702 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 116 55.588 -9.538 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 116 53.977 -8.970 4.798 1.00 0.00 H new ATOM 444 N GLU A 117 54.138 -7.873 2.873 1.00 0.00 N ATOM 445 CA GLU A 117 53.243 -6.714 2.590 1.00 0.00 C ATOM 446 C GLU A 117 53.501 -6.185 1.176 1.00 0.00 C ATOM 447 O GLU A 117 52.585 -5.865 0.445 1.00 0.00 O ATOM 448 CB GLU A 117 53.619 -5.659 3.632 1.00 0.00 C ATOM 449 CG GLU A 117 52.988 -6.022 4.978 1.00 0.00 C ATOM 450 CD GLU A 117 53.385 -4.982 6.027 1.00 0.00 C ATOM 451 OE1 GLU A 117 53.220 -3.804 5.757 1.00 0.00 O ATOM 452 OE2 GLU A 117 53.847 -5.382 7.083 1.00 0.00 O ATOM 0 H GLU A 117 54.866 -7.701 3.566 1.00 0.00 H new ATOM 0 HA GLU A 117 52.188 -6.982 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 117 54.703 -5.600 3.731 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.275 -4.676 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 117 51.903 -6.062 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.318 -7.013 5.290 1.00 0.00 H new ATOM 459 N LEU A 118 54.743 -6.093 0.790 1.00 0.00 N ATOM 460 CA LEU A 118 55.067 -5.586 -0.575 1.00 0.00 C ATOM 461 C LEU A 118 54.377 -6.444 -1.638 1.00 0.00 C ATOM 462 O LEU A 118 53.911 -5.948 -2.645 1.00 0.00 O ATOM 463 CB LEU A 118 56.586 -5.710 -0.692 1.00 0.00 C ATOM 464 CG LEU A 118 57.196 -4.330 -0.939 1.00 0.00 C ATOM 465 CD1 LEU A 118 57.376 -3.605 0.396 1.00 0.00 C ATOM 466 CD2 LEU A 118 58.557 -4.489 -1.619 1.00 0.00 C ATOM 0 H LEU A 118 55.549 -6.347 1.361 1.00 0.00 H new ATOM 0 HA LEU A 118 54.727 -4.561 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 118 56.997 -6.142 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.844 -6.384 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 118 56.533 -3.750 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.811 -2.621 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 118 56.407 -3.492 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 118 58.039 -4.185 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 118 58.993 -3.506 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 118 59.219 -5.069 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 118 58.430 -5.006 -2.570 1.00 0.00 H new ATOM 478 N GLY A 119 54.309 -7.729 -1.424 1.00 0.00 N ATOM 479 CA GLY A 119 53.653 -8.617 -2.424 1.00 0.00 C ATOM 480 C GLY A 119 52.213 -8.156 -2.661 1.00 0.00 C ATOM 481 O GLY A 119 51.890 -7.602 -3.692 1.00 0.00 O ATOM 0 H GLY A 119 54.679 -8.202 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 119 54.209 -8.598 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.661 -9.648 -2.069 1.00 0.00 H new ATOM 485 N GLU A 120 51.345 -8.386 -1.715 1.00 0.00 N ATOM 486 CA GLU A 120 49.922 -7.968 -1.885 1.00 0.00 C ATOM 487 C GLU A 120 49.833 -6.479 -2.235 1.00 0.00 C ATOM 488 O GLU A 120 49.093 -6.082 -3.114 1.00 0.00 O ATOM 489 CB GLU A 120 49.265 -8.246 -0.531 1.00 0.00 C ATOM 490 CG GLU A 120 49.896 -7.357 0.543 1.00 0.00 C ATOM 491 CD GLU A 120 49.524 -7.885 1.929 1.00 0.00 C ATOM 492 OE1 GLU A 120 48.699 -8.781 1.998 1.00 0.00 O ATOM 493 OE2 GLU A 120 50.071 -7.386 2.898 1.00 0.00 O ATOM 0 H GLU A 120 51.558 -8.846 -0.830 1.00 0.00 H new ATOM 0 HA GLU A 120 49.431 -8.505 -2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.193 -8.056 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.388 -9.296 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 120 50.980 -7.343 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 120 49.550 -6.330 0.429 1.00 0.00 H new ATOM 500 N ILE A 121 50.577 -5.650 -1.555 1.00 0.00 N ATOM 501 CA ILE A 121 50.527 -4.187 -1.850 1.00 0.00 C ATOM 502 C ILE A 121 50.568 -3.943 -3.364 1.00 0.00 C ATOM 503 O ILE A 121 49.694 -3.312 -3.924 1.00 0.00 O ATOM 504 CB ILE A 121 51.770 -3.606 -1.166 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.473 -3.387 0.319 1.00 0.00 C ATOM 506 CG2 ILE A 121 52.143 -2.266 -1.808 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.731 -2.870 1.021 1.00 0.00 C ATOM 0 H ILE A 121 51.217 -5.921 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 121 49.610 -3.722 -1.489 1.00 0.00 H new ATOM 0 HB ILE A 121 52.600 -4.303 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.659 -2.672 0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 121 51.146 -4.321 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 121 53.027 -1.860 -1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 121 52.354 -2.416 -2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 121 51.314 -1.567 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.519 -2.714 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.533 -3.601 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 121 53.038 -1.927 0.569 1.00 0.00 H new ATOM 519 N LEU A 122 51.580 -4.431 -4.027 1.00 0.00 N ATOM 520 CA LEU A 122 51.681 -4.218 -5.501 1.00 0.00 C ATOM 521 C LEU A 122 50.552 -4.953 -6.233 1.00 0.00 C ATOM 522 O LEU A 122 49.840 -4.375 -7.030 1.00 0.00 O ATOM 523 CB LEU A 122 53.041 -4.798 -5.890 1.00 0.00 C ATOM 524 CG LEU A 122 54.132 -3.764 -5.618 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.491 -4.460 -5.538 1.00 0.00 C ATOM 526 CD2 LEU A 122 54.152 -2.735 -6.750 1.00 0.00 C ATOM 0 H LEU A 122 52.342 -4.968 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 122 51.591 -3.165 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.237 -5.707 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 122 53.042 -5.075 -6.944 1.00 0.00 H new ATOM 0 HG LEU A 122 53.927 -3.262 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 122 56.268 -3.720 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 122 55.478 -5.193 -4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.698 -4.964 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 122 54.930 -1.997 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 122 54.356 -3.238 -7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 122 53.184 -2.236 -6.805 1.00 0.00 H new ATOM 538 N ARG A 123 50.388 -6.220 -5.975 1.00 0.00 N ATOM 539 CA ARG A 123 49.310 -6.988 -6.665 1.00 0.00 C ATOM 540 C ARG A 123 47.978 -6.236 -6.591 1.00 0.00 C ATOM 541 O ARG A 123 47.149 -6.337 -7.474 1.00 0.00 O ATOM 542 CB ARG A 123 49.221 -8.309 -5.901 1.00 0.00 C ATOM 543 CG ARG A 123 50.144 -9.339 -6.555 1.00 0.00 C ATOM 544 CD ARG A 123 49.848 -10.727 -5.986 1.00 0.00 C ATOM 545 NE ARG A 123 50.717 -11.653 -6.763 1.00 0.00 N ATOM 546 CZ ARG A 123 51.338 -12.628 -6.158 1.00 0.00 C ATOM 547 NH1 ARG A 123 50.669 -13.665 -5.737 1.00 0.00 N ATOM 548 NH2 ARG A 123 52.628 -12.565 -5.974 1.00 0.00 N ATOM 0 H ARG A 123 50.952 -6.758 -5.317 1.00 0.00 H new ATOM 0 HA ARG A 123 49.526 -7.136 -7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.506 -8.159 -4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.194 -8.673 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 123 49.998 -9.339 -7.635 1.00 0.00 H new ATOM 0 HG3 ARG A 123 51.186 -9.075 -6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 123 50.074 -10.774 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 123 48.795 -10.984 -6.100 1.00 0.00 H new ATOM 0 HE ARG A 123 50.827 -11.525 -7.769 1.00 0.00 H new ATOM 0 HH11 ARG A 123 49.660 -13.714 -5.881 1.00 0.00 H new ATOM 0 HH12 ARG A 123 51.154 -14.427 -5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 123 53.151 -11.754 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 123 53.114 -13.327 -5.501 1.00 0.00 H new ATOM 562 N ALA A 124 47.762 -5.487 -5.545 1.00 0.00 N ATOM 563 CA ALA A 124 46.479 -4.735 -5.416 1.00 0.00 C ATOM 564 C ALA A 124 46.259 -3.825 -6.629 1.00 0.00 C ATOM 565 O ALA A 124 45.252 -3.910 -7.304 1.00 0.00 O ATOM 566 CB ALA A 124 46.636 -3.901 -4.144 1.00 0.00 C ATOM 0 H ALA A 124 48.417 -5.362 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 124 45.619 -5.403 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.731 -3.317 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.802 -4.562 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.487 -3.229 -4.252 1.00 0.00 H new ATOM 572 N THR A 125 47.186 -2.949 -6.907 1.00 0.00 N ATOM 573 CA THR A 125 47.016 -2.032 -8.072 1.00 0.00 C ATOM 574 C THR A 125 46.963 -2.828 -9.380 1.00 0.00 C ATOM 575 O THR A 125 46.643 -2.298 -10.426 1.00 0.00 O ATOM 576 CB THR A 125 48.245 -1.123 -8.046 1.00 0.00 C ATOM 577 OG1 THR A 125 48.288 -0.351 -9.238 1.00 0.00 O ATOM 578 CG2 THR A 125 49.508 -1.977 -7.943 1.00 0.00 C ATOM 0 H THR A 125 48.051 -2.828 -6.380 1.00 0.00 H new ATOM 0 HA THR A 125 46.087 -1.465 -8.013 1.00 0.00 H new ATOM 0 HB THR A 125 48.187 -0.457 -7.185 1.00 0.00 H new ATOM 0 HG1 THR A 125 49.075 0.233 -9.221 1.00 0.00 H new ATOM 0 HG21 THR A 125 50.385 -1.329 -7.924 1.00 0.00 H new ATOM 0 HG22 THR A 125 49.474 -2.568 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 125 49.568 -2.644 -8.803 1.00 0.00 H new ATOM 586 N GLY A 126 47.268 -4.095 -9.330 1.00 0.00 N ATOM 587 CA GLY A 126 47.228 -4.918 -10.573 1.00 0.00 C ATOM 588 C GLY A 126 48.649 -5.328 -10.967 1.00 0.00 C ATOM 589 O GLY A 126 48.862 -6.360 -11.571 1.00 0.00 O ATOM 0 H GLY A 126 47.543 -4.596 -8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 126 46.614 -5.805 -10.414 1.00 0.00 H new ATOM 0 HA3 GLY A 126 46.766 -4.351 -11.381 1.00 0.00 H new ATOM 593 N GLU A 127 49.624 -4.527 -10.631 1.00 0.00 N ATOM 594 CA GLU A 127 51.030 -4.873 -10.989 1.00 0.00 C ATOM 595 C GLU A 127 51.370 -6.290 -10.516 1.00 0.00 C ATOM 596 O GLU A 127 51.795 -6.497 -9.397 1.00 0.00 O ATOM 597 CB GLU A 127 51.890 -3.846 -10.253 1.00 0.00 C ATOM 598 CG GLU A 127 51.568 -2.443 -10.770 1.00 0.00 C ATOM 599 CD GLU A 127 52.700 -1.966 -11.682 1.00 0.00 C ATOM 600 OE1 GLU A 127 53.833 -2.342 -11.432 1.00 0.00 O ATOM 601 OE2 GLU A 127 52.414 -1.232 -12.614 1.00 0.00 O ATOM 0 H GLU A 127 49.508 -3.649 -10.125 1.00 0.00 H new ATOM 0 HA GLU A 127 51.195 -4.851 -12.066 1.00 0.00 H new ATOM 0 HB2 GLU A 127 51.703 -3.901 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 127 52.947 -4.067 -10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 127 50.625 -2.452 -11.317 1.00 0.00 H new ATOM 0 HG3 GLU A 127 51.445 -1.755 -9.934 1.00 0.00 H new ATOM 608 N HIS A 128 51.190 -7.267 -11.364 1.00 0.00 N ATOM 609 CA HIS A 128 51.508 -8.668 -10.962 1.00 0.00 C ATOM 610 C HIS A 128 53.019 -8.825 -10.762 1.00 0.00 C ATOM 611 O HIS A 128 53.712 -9.373 -11.597 1.00 0.00 O ATOM 612 CB HIS A 128 51.028 -9.533 -12.126 1.00 0.00 C ATOM 613 CG HIS A 128 49.561 -9.824 -11.966 1.00 0.00 C ATOM 614 ND1 HIS A 128 48.621 -8.819 -11.803 1.00 0.00 N ATOM 615 CD2 HIS A 128 48.857 -11.003 -11.946 1.00 0.00 C ATOM 616 CE1 HIS A 128 47.415 -9.406 -11.692 1.00 0.00 C ATOM 617 NE2 HIS A 128 47.503 -10.737 -11.773 1.00 0.00 N ATOM 0 H HIS A 128 50.838 -7.156 -12.315 1.00 0.00 H new ATOM 0 HA HIS A 128 51.030 -8.950 -10.024 1.00 0.00 H new ATOM 0 HB2 HIS A 128 51.207 -9.020 -13.071 1.00 0.00 H new ATOM 0 HB3 HIS A 128 51.593 -10.465 -12.157 1.00 0.00 H new ATOM 0 HD1 HIS A 128 48.809 -7.817 -11.773 1.00 0.00 H new ATOM 0 HD2 HIS A 128 49.289 -11.987 -12.049 1.00 0.00 H new ATOM 0 HE1 HIS A 128 46.489 -8.867 -11.554 1.00 0.00 H new ATOM 625 N VAL A 129 53.535 -8.346 -9.663 1.00 0.00 N ATOM 626 CA VAL A 129 55.000 -8.464 -9.412 1.00 0.00 C ATOM 627 C VAL A 129 55.330 -9.827 -8.801 1.00 0.00 C ATOM 628 O VAL A 129 54.646 -10.307 -7.919 1.00 0.00 O ATOM 629 CB VAL A 129 55.322 -7.342 -8.424 1.00 0.00 C ATOM 630 CG1 VAL A 129 56.839 -7.187 -8.304 1.00 0.00 C ATOM 631 CG2 VAL A 129 54.715 -6.031 -8.926 1.00 0.00 C ATOM 0 H VAL A 129 53.005 -7.878 -8.928 1.00 0.00 H new ATOM 0 HA VAL A 129 55.582 -8.382 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 129 54.903 -7.587 -7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 129 57.068 -6.387 -7.600 1.00 0.00 H new ATOM 0 HG12 VAL A 129 57.273 -8.121 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 129 57.258 -6.942 -9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 129 54.944 -5.231 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 129 55.134 -5.786 -9.902 1.00 0.00 H new ATOM 0 HG23 VAL A 129 53.634 -6.140 -9.012 1.00 0.00 H new ATOM 641 N ILE A 130 56.378 -10.454 -9.261 1.00 0.00 N ATOM 642 CA ILE A 130 56.756 -11.785 -8.706 1.00 0.00 C ATOM 643 C ILE A 130 57.729 -11.610 -7.536 1.00 0.00 C ATOM 644 O ILE A 130 58.571 -10.734 -7.544 1.00 0.00 O ATOM 645 CB ILE A 130 57.435 -12.521 -9.862 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.581 -11.666 -10.408 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.417 -12.776 -10.975 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.546 -12.552 -11.200 1.00 0.00 C ATOM 0 H ILE A 130 56.989 -10.102 -9.998 1.00 0.00 H new ATOM 0 HA ILE A 130 55.894 -12.334 -8.326 1.00 0.00 H new ATOM 0 HB ILE A 130 57.828 -13.473 -9.504 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.187 -10.876 -11.048 1.00 0.00 H new ATOM 0 HG13 ILE A 130 59.108 -11.178 -9.588 1.00 0.00 H new ATOM 0 HG21 ILE A 130 56.902 -13.301 -11.798 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.600 -13.385 -10.588 1.00 0.00 H new ATOM 0 HG23 ILE A 130 56.023 -11.825 -11.333 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.362 -11.944 -11.589 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.949 -13.325 -10.546 1.00 0.00 H new ATOM 0 HD13 ILE A 130 59.014 -13.019 -12.029 1.00 0.00 H new ATOM 660 N GLU A 131 57.618 -12.433 -6.531 1.00 0.00 N ATOM 661 CA GLU A 131 58.535 -12.311 -5.360 1.00 0.00 C ATOM 662 C GLU A 131 59.972 -12.062 -5.829 1.00 0.00 C ATOM 663 O GLU A 131 60.657 -11.194 -5.326 1.00 0.00 O ATOM 664 CB GLU A 131 58.433 -13.653 -4.636 1.00 0.00 C ATOM 665 CG GLU A 131 57.733 -13.456 -3.289 1.00 0.00 C ATOM 666 CD GLU A 131 56.333 -14.069 -3.346 1.00 0.00 C ATOM 667 OE1 GLU A 131 55.475 -13.478 -3.979 1.00 0.00 O ATOM 668 OE2 GLU A 131 56.144 -15.118 -2.753 1.00 0.00 O ATOM 0 H GLU A 131 56.932 -13.186 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 131 58.266 -11.476 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 131 57.877 -14.366 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 131 59.428 -14.072 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 131 58.314 -13.923 -2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 131 57.667 -12.394 -3.054 1.00 0.00 H new ATOM 675 N GLU A 132 60.434 -12.819 -6.786 1.00 0.00 N ATOM 676 CA GLU A 132 61.828 -12.625 -7.283 1.00 0.00 C ATOM 677 C GLU A 132 62.097 -11.143 -7.557 1.00 0.00 C ATOM 678 O GLU A 132 63.219 -10.683 -7.485 1.00 0.00 O ATOM 679 CB GLU A 132 61.905 -13.434 -8.577 1.00 0.00 C ATOM 680 CG GLU A 132 63.298 -14.051 -8.711 1.00 0.00 C ATOM 681 CD GLU A 132 63.207 -15.348 -9.517 1.00 0.00 C ATOM 682 OE1 GLU A 132 62.849 -16.360 -8.936 1.00 0.00 O ATOM 683 OE2 GLU A 132 63.497 -15.309 -10.701 1.00 0.00 O ATOM 0 H GLU A 132 59.908 -13.563 -7.245 1.00 0.00 H new ATOM 0 HA GLU A 132 62.572 -12.949 -6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.147 -14.218 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 132 61.696 -12.792 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 132 63.972 -13.350 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 132 63.715 -14.252 -7.724 1.00 0.00 H new ATOM 690 N ASP A 133 61.077 -10.391 -7.866 1.00 0.00 N ATOM 691 CA ASP A 133 61.274 -8.941 -8.138 1.00 0.00 C ATOM 692 C ASP A 133 61.141 -8.152 -6.836 1.00 0.00 C ATOM 693 O ASP A 133 61.901 -7.243 -6.563 1.00 0.00 O ATOM 694 CB ASP A 133 60.155 -8.569 -9.110 1.00 0.00 C ATOM 695 CG ASP A 133 60.756 -8.203 -10.469 1.00 0.00 C ATOM 696 OD1 ASP A 133 61.319 -7.126 -10.575 1.00 0.00 O ATOM 697 OD2 ASP A 133 60.643 -9.007 -11.379 1.00 0.00 O ATOM 0 H ASP A 133 60.114 -10.719 -7.942 1.00 0.00 H new ATOM 0 HA ASP A 133 62.258 -8.719 -8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.463 -9.404 -9.220 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.582 -7.729 -8.716 1.00 0.00 H new ATOM 702 N ILE A 134 60.181 -8.500 -6.026 1.00 0.00 N ATOM 703 CA ILE A 134 59.992 -7.785 -4.734 1.00 0.00 C ATOM 704 C ILE A 134 61.192 -8.035 -3.820 1.00 0.00 C ATOM 705 O ILE A 134 61.639 -7.158 -3.109 1.00 0.00 O ATOM 706 CB ILE A 134 58.728 -8.390 -4.137 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.560 -8.144 -5.093 1.00 0.00 C ATOM 708 CG2 ILE A 134 58.436 -7.733 -2.786 1.00 0.00 C ATOM 709 CD1 ILE A 134 56.264 -8.627 -4.450 1.00 0.00 C ATOM 0 H ILE A 134 59.516 -9.253 -6.204 1.00 0.00 H new ATOM 0 HA ILE A 134 59.907 -6.706 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 134 58.863 -9.462 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 134 57.487 -7.082 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.729 -8.669 -6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.531 -8.166 -2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 134 59.274 -7.903 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 134 58.294 -6.661 -2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.432 -8.451 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.339 -9.693 -4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 134 56.093 -8.082 -3.522 1.00 0.00 H new ATOM 721 N GLU A 135 61.719 -9.230 -3.839 1.00 0.00 N ATOM 722 CA GLU A 135 62.893 -9.537 -2.974 1.00 0.00 C ATOM 723 C GLU A 135 64.020 -8.540 -3.252 1.00 0.00 C ATOM 724 O GLU A 135 64.593 -7.966 -2.346 1.00 0.00 O ATOM 725 CB GLU A 135 63.316 -10.955 -3.367 1.00 0.00 C ATOM 726 CG GLU A 135 62.481 -11.971 -2.585 1.00 0.00 C ATOM 727 CD GLU A 135 63.038 -13.378 -2.814 1.00 0.00 C ATOM 728 OE1 GLU A 135 63.787 -13.550 -3.761 1.00 0.00 O ATOM 729 OE2 GLU A 135 62.704 -14.259 -2.039 1.00 0.00 O ATOM 0 H GLU A 135 61.388 -10.004 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 135 62.658 -9.465 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 135 63.179 -11.103 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.376 -11.101 -3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 135 62.499 -11.730 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 135 61.440 -11.924 -2.905 1.00 0.00 H new ATOM 736 N ASP A 136 64.337 -8.326 -4.499 1.00 0.00 N ATOM 737 CA ASP A 136 65.423 -7.363 -4.838 1.00 0.00 C ATOM 738 C ASP A 136 65.124 -5.994 -4.217 1.00 0.00 C ATOM 739 O ASP A 136 65.981 -5.371 -3.624 1.00 0.00 O ATOM 740 CB ASP A 136 65.412 -7.278 -6.365 1.00 0.00 C ATOM 741 CG ASP A 136 66.789 -6.836 -6.864 1.00 0.00 C ATOM 742 OD1 ASP A 136 67.771 -7.217 -6.247 1.00 0.00 O ATOM 743 OD2 ASP A 136 66.838 -6.125 -7.853 1.00 0.00 O ATOM 0 H ASP A 136 63.891 -8.776 -5.298 1.00 0.00 H new ATOM 0 HA ASP A 136 66.394 -7.679 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 136 65.153 -8.247 -6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 136 64.650 -6.571 -6.695 1.00 0.00 H new ATOM 748 N LEU A 137 63.913 -5.525 -4.347 1.00 0.00 N ATOM 749 CA LEU A 137 63.561 -4.200 -3.760 1.00 0.00 C ATOM 750 C LEU A 137 63.957 -4.161 -2.283 1.00 0.00 C ATOM 751 O LEU A 137 64.724 -3.321 -1.857 1.00 0.00 O ATOM 752 CB LEU A 137 62.043 -4.089 -3.911 1.00 0.00 C ATOM 753 CG LEU A 137 61.713 -3.203 -5.112 1.00 0.00 C ATOM 754 CD1 LEU A 137 61.349 -4.080 -6.313 1.00 0.00 C ATOM 755 CD2 LEU A 137 60.528 -2.300 -4.765 1.00 0.00 C ATOM 0 H LEU A 137 63.153 -6.001 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 137 64.079 -3.377 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 137 61.607 -5.079 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 137 61.607 -3.669 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 137 62.580 -2.591 -5.360 1.00 0.00 H new ATOM 0 HD11 LEU A 137 61.114 -3.446 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 137 62.191 -4.726 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 137 60.482 -4.693 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 137 60.290 -1.667 -5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 137 59.663 -2.915 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 137 60.785 -1.674 -3.910 1.00 0.00 H new ATOM 767 N MET A 138 63.443 -5.069 -1.498 1.00 0.00 N ATOM 768 CA MET A 138 63.793 -5.087 -0.050 1.00 0.00 C ATOM 769 C MET A 138 65.311 -5.179 0.119 1.00 0.00 C ATOM 770 O MET A 138 65.853 -4.840 1.152 1.00 0.00 O ATOM 771 CB MET A 138 63.111 -6.338 0.507 1.00 0.00 C ATOM 772 CG MET A 138 63.526 -6.543 1.964 1.00 0.00 C ATOM 773 SD MET A 138 62.068 -6.962 2.952 1.00 0.00 S ATOM 774 CE MET A 138 61.140 -5.439 2.638 1.00 0.00 C ATOM 0 H MET A 138 62.796 -5.799 -1.797 1.00 0.00 H new ATOM 0 HA MET A 138 63.469 -4.185 0.468 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.028 -6.235 0.438 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.387 -7.210 -0.086 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.267 -7.339 2.034 1.00 0.00 H new ATOM 0 HG3 MET A 138 63.993 -5.638 2.351 1.00 0.00 H new ATOM 0 HE1 MET A 138 60.601 -5.149 3.540 1.00 0.00 H new ATOM 0 HE2 MET A 138 61.830 -4.644 2.356 1.00 0.00 H new ATOM 0 HE3 MET A 138 60.429 -5.606 1.829 1.00 0.00 H new ATOM 784 N LYS A 139 65.999 -5.637 -0.890 1.00 0.00 N ATOM 785 CA LYS A 139 67.482 -5.755 -0.794 1.00 0.00 C ATOM 786 C LYS A 139 68.134 -4.369 -0.854 1.00 0.00 C ATOM 787 O LYS A 139 69.030 -4.060 -0.095 1.00 0.00 O ATOM 788 CB LYS A 139 67.889 -6.590 -2.009 1.00 0.00 C ATOM 789 CG LYS A 139 68.640 -7.840 -1.545 1.00 0.00 C ATOM 790 CD LYS A 139 69.934 -7.427 -0.841 1.00 0.00 C ATOM 791 CE LYS A 139 71.118 -7.621 -1.790 1.00 0.00 C ATOM 792 NZ LYS A 139 71.319 -6.291 -2.432 1.00 0.00 N ATOM 0 H LYS A 139 65.598 -5.935 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 139 67.799 -6.212 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 139 67.005 -6.875 -2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 139 68.520 -6.000 -2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 139 68.015 -8.422 -0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 139 68.866 -8.479 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 139 69.873 -6.385 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 139 70.076 -8.023 0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 139 72.010 -7.937 -1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 139 70.907 -8.390 -2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 71.273 -6.394 -3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 70.575 -5.637 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 72.249 -5.913 -2.163 1.00 0.00 H new ATOM 806 N ASP A 140 67.695 -3.536 -1.758 1.00 0.00 N ATOM 807 CA ASP A 140 68.294 -2.174 -1.876 1.00 0.00 C ATOM 808 C ASP A 140 67.832 -1.277 -0.723 1.00 0.00 C ATOM 809 O ASP A 140 68.568 -0.433 -0.249 1.00 0.00 O ATOM 810 CB ASP A 140 67.785 -1.632 -3.212 1.00 0.00 C ATOM 811 CG ASP A 140 68.786 -0.616 -3.766 1.00 0.00 C ATOM 812 OD1 ASP A 140 69.955 -0.727 -3.439 1.00 0.00 O ATOM 813 OD2 ASP A 140 68.364 0.256 -4.509 1.00 0.00 O ATOM 0 H ASP A 140 66.947 -3.739 -2.421 1.00 0.00 H new ATOM 0 HA ASP A 140 69.383 -2.203 -1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 140 67.651 -2.449 -3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 140 66.810 -1.162 -3.078 1.00 0.00 H new ATOM 818 N SER A 141 66.619 -1.444 -0.270 1.00 0.00 N ATOM 819 CA SER A 141 66.117 -0.591 0.846 1.00 0.00 C ATOM 820 C SER A 141 66.751 -1.016 2.175 1.00 0.00 C ATOM 821 O SER A 141 67.463 -0.259 2.802 1.00 0.00 O ATOM 822 CB SER A 141 64.608 -0.824 0.874 1.00 0.00 C ATOM 823 OG SER A 141 63.957 0.372 1.282 1.00 0.00 O ATOM 0 H SER A 141 65.955 -2.133 -0.623 1.00 0.00 H new ATOM 0 HA SER A 141 66.367 0.460 0.702 1.00 0.00 H new ATOM 0 HB2 SER A 141 64.256 -1.125 -0.113 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.366 -1.636 1.560 1.00 0.00 H new ATOM 0 HG SER A 141 64.545 1.138 1.114 1.00 0.00 H new ATOM 829 N ASP A 142 66.494 -2.221 2.609 1.00 0.00 N ATOM 830 CA ASP A 142 67.080 -2.691 3.898 1.00 0.00 C ATOM 831 C ASP A 142 68.541 -2.249 4.015 1.00 0.00 C ATOM 832 O ASP A 142 69.435 -2.888 3.499 1.00 0.00 O ATOM 833 CB ASP A 142 66.986 -4.216 3.844 1.00 0.00 C ATOM 834 CG ASP A 142 65.635 -4.664 4.407 1.00 0.00 C ATOM 835 OD1 ASP A 142 64.829 -3.802 4.715 1.00 0.00 O ATOM 836 OD2 ASP A 142 65.431 -5.861 4.521 1.00 0.00 O ATOM 0 H ASP A 142 65.904 -2.900 2.127 1.00 0.00 H new ATOM 0 HA ASP A 142 66.556 -2.278 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 142 67.096 -4.562 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.798 -4.662 4.419 1.00 0.00 H new ATOM 841 N LYS A 143 68.788 -1.160 4.690 1.00 0.00 N ATOM 842 CA LYS A 143 70.192 -0.680 4.840 1.00 0.00 C ATOM 843 C LYS A 143 70.954 -1.583 5.813 1.00 0.00 C ATOM 844 O LYS A 143 72.139 -1.419 6.029 1.00 0.00 O ATOM 845 CB LYS A 143 70.068 0.735 5.404 1.00 0.00 C ATOM 846 CG LYS A 143 70.986 1.677 4.623 1.00 0.00 C ATOM 847 CD LYS A 143 70.338 3.059 4.528 1.00 0.00 C ATOM 848 CE LYS A 143 70.953 3.985 5.580 1.00 0.00 C ATOM 849 NZ LYS A 143 69.834 4.313 6.506 1.00 0.00 N ATOM 0 H LYS A 143 68.080 -0.582 5.144 1.00 0.00 H new ATOM 0 HA LYS A 143 70.739 -0.695 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.035 1.076 5.335 1.00 0.00 H new ATOM 0 HB3 LYS A 143 70.336 0.742 6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.954 1.751 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 143 71.168 1.280 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 143 70.487 3.474 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 143 69.262 2.979 4.683 1.00 0.00 H new ATOM 0 HE2 LYS A 143 71.771 3.495 6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 143 71.363 4.885 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 70.178 4.946 7.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 69.073 4.785 5.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 69.468 3.438 6.932 1.00 0.00 H new ATOM 863 N ASN A 144 70.285 -2.538 6.399 1.00 0.00 N ATOM 864 CA ASN A 144 70.972 -3.452 7.355 1.00 0.00 C ATOM 865 C ASN A 144 70.470 -4.888 7.165 1.00 0.00 C ATOM 866 O ASN A 144 70.564 -5.711 8.053 1.00 0.00 O ATOM 867 CB ASN A 144 70.607 -2.921 8.746 1.00 0.00 C ATOM 868 CG ASN A 144 69.204 -3.393 9.137 1.00 0.00 C ATOM 869 OD1 ASN A 144 69.051 -4.207 10.027 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.166 -2.915 8.507 1.00 0.00 N ATOM 0 H ASN A 144 69.292 -2.725 6.257 1.00 0.00 H new ATOM 0 HA ASN A 144 72.051 -3.476 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 144 71.334 -3.270 9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.647 -1.832 8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 144 67.228 -3.224 8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 144 68.293 -2.232 7.760 1.00 0.00 H new ATOM 877 N ASN A 145 69.940 -5.192 6.011 1.00 0.00 N ATOM 878 CA ASN A 145 69.435 -6.572 5.765 1.00 0.00 C ATOM 879 C ASN A 145 68.538 -7.024 6.920 1.00 0.00 C ATOM 880 O ASN A 145 68.986 -7.662 7.852 1.00 0.00 O ATOM 881 CB ASN A 145 70.690 -7.440 5.683 1.00 0.00 C ATOM 882 CG ASN A 145 71.476 -7.087 4.419 1.00 0.00 C ATOM 883 OD1 ASN A 145 71.002 -6.341 3.585 1.00 0.00 O ATOM 884 ND2 ASN A 145 72.664 -7.595 4.241 1.00 0.00 N ATOM 0 H ASN A 145 69.835 -4.545 5.229 1.00 0.00 H new ATOM 0 HA ASN A 145 68.834 -6.638 4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.311 -7.284 6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.415 -8.495 5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 145 73.196 -7.366 3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 145 73.061 -8.221 4.942 1.00 0.00 H new ATOM 891 N ASP A 146 67.275 -6.699 6.866 1.00 0.00 N ATOM 892 CA ASP A 146 66.351 -7.111 7.961 1.00 0.00 C ATOM 893 C ASP A 146 65.004 -7.552 7.380 1.00 0.00 C ATOM 894 O ASP A 146 64.010 -7.625 8.074 1.00 0.00 O ATOM 895 CB ASP A 146 66.183 -5.863 8.829 1.00 0.00 C ATOM 896 CG ASP A 146 65.280 -4.856 8.113 1.00 0.00 C ATOM 897 OD1 ASP A 146 65.126 -4.980 6.909 1.00 0.00 O ATOM 898 OD2 ASP A 146 64.759 -3.979 8.782 1.00 0.00 O ATOM 0 H ASP A 146 66.843 -6.166 6.111 1.00 0.00 H new ATOM 0 HA ASP A 146 66.738 -7.954 8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.751 -6.133 9.792 1.00 0.00 H new ATOM 0 HB3 ASP A 146 67.156 -5.415 9.031 1.00 0.00 H new ATOM 903 N GLY A 147 64.967 -7.850 6.109 1.00 0.00 N ATOM 904 CA GLY A 147 63.688 -8.288 5.481 1.00 0.00 C ATOM 905 C GLY A 147 62.564 -7.328 5.873 1.00 0.00 C ATOM 906 O GLY A 147 61.420 -7.718 6.002 1.00 0.00 O ATOM 0 H GLY A 147 65.768 -7.809 5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 147 63.795 -8.314 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 147 63.443 -9.300 5.802 1.00 0.00 H new ATOM 910 N ARG A 148 62.876 -6.076 6.063 1.00 0.00 N ATOM 911 CA ARG A 148 61.820 -5.096 6.447 1.00 0.00 C ATOM 912 C ARG A 148 62.259 -3.671 6.096 1.00 0.00 C ATOM 913 O ARG A 148 63.275 -3.194 6.559 1.00 0.00 O ATOM 914 CB ARG A 148 61.666 -5.252 7.960 1.00 0.00 C ATOM 915 CG ARG A 148 60.475 -6.164 8.263 1.00 0.00 C ATOM 916 CD ARG A 148 60.239 -6.206 9.773 1.00 0.00 C ATOM 917 NE ARG A 148 58.933 -6.903 9.939 1.00 0.00 N ATOM 918 CZ ARG A 148 58.530 -7.253 11.130 1.00 0.00 C ATOM 919 NH1 ARG A 148 59.377 -7.767 11.979 1.00 0.00 N ATOM 920 NH2 ARG A 148 57.282 -7.086 11.472 1.00 0.00 N ATOM 0 H ARG A 148 63.815 -5.689 5.969 1.00 0.00 H new ATOM 0 HA ARG A 148 60.883 -5.275 5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.577 -5.672 8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.517 -4.277 8.423 1.00 0.00 H new ATOM 0 HG2 ARG A 148 59.583 -5.797 7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 148 60.667 -7.168 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 148 61.040 -6.741 10.283 1.00 0.00 H new ATOM 0 HD3 ARG A 148 60.207 -5.202 10.196 1.00 0.00 H new ATOM 0 HE ARG A 148 58.355 -7.106 9.124 1.00 0.00 H new ATOM 0 HH11 ARG A 148 60.353 -7.895 11.712 1.00 0.00 H new ATOM 0 HH12 ARG A 148 59.063 -8.041 12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 148 56.621 -6.682 10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 148 56.967 -7.360 12.403 1.00 0.00 H new ATOM 934 N ILE A 149 61.496 -2.988 5.286 1.00 0.00 N ATOM 935 CA ILE A 149 61.866 -1.593 4.911 1.00 0.00 C ATOM 936 C ILE A 149 61.384 -0.623 5.994 1.00 0.00 C ATOM 937 O ILE A 149 60.217 -0.583 6.330 1.00 0.00 O ATOM 938 CB ILE A 149 61.146 -1.338 3.582 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.964 -1.940 2.437 1.00 0.00 C ATOM 940 CG2 ILE A 149 60.990 0.169 3.353 1.00 0.00 C ATOM 941 CD1 ILE A 149 61.021 -2.498 1.369 1.00 0.00 C ATOM 0 H ILE A 149 60.633 -3.335 4.868 1.00 0.00 H new ATOM 0 HA ILE A 149 62.943 -1.451 4.816 1.00 0.00 H new ATOM 0 HB ILE A 149 60.160 -1.801 3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.613 -1.180 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.610 -2.732 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.478 0.342 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.407 0.602 4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 149 61.974 0.636 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.606 -2.926 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.391 -3.271 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.394 -1.695 0.982 1.00 0.00 H new ATOM 953 N ASP A 150 62.275 0.154 6.549 1.00 0.00 N ATOM 954 CA ASP A 150 61.865 1.112 7.616 1.00 0.00 C ATOM 955 C ASP A 150 61.798 2.539 7.063 1.00 0.00 C ATOM 956 O ASP A 150 62.010 2.775 5.890 1.00 0.00 O ATOM 957 CB ASP A 150 62.954 1.000 8.685 1.00 0.00 C ATOM 958 CG ASP A 150 64.326 1.211 8.043 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.378 1.825 6.990 1.00 0.00 O ATOM 960 OD2 ASP A 150 65.303 0.754 8.615 1.00 0.00 O ATOM 0 H ASP A 150 63.267 0.167 6.310 1.00 0.00 H new ATOM 0 HA ASP A 150 60.875 0.885 8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 150 62.789 1.742 9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 150 62.911 0.021 9.161 1.00 0.00 H new ATOM 965 N PHE A 151 61.500 3.492 7.905 1.00 0.00 N ATOM 966 CA PHE A 151 61.411 4.907 7.442 1.00 0.00 C ATOM 967 C PHE A 151 62.657 5.291 6.637 1.00 0.00 C ATOM 968 O PHE A 151 62.576 5.618 5.471 1.00 0.00 O ATOM 969 CB PHE A 151 61.329 5.731 8.726 1.00 0.00 C ATOM 970 CG PHE A 151 60.852 7.126 8.404 1.00 0.00 C ATOM 971 CD1 PHE A 151 59.530 7.336 7.994 1.00 0.00 C ATOM 972 CD2 PHE A 151 61.731 8.210 8.514 1.00 0.00 C ATOM 973 CE1 PHE A 151 59.085 8.630 7.696 1.00 0.00 C ATOM 974 CE2 PHE A 151 61.287 9.504 8.216 1.00 0.00 C ATOM 975 CZ PHE A 151 59.964 9.714 7.808 1.00 0.00 C ATOM 0 H PHE A 151 61.314 3.350 8.898 1.00 0.00 H new ATOM 0 HA PHE A 151 60.555 5.073 6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 151 60.647 5.257 9.431 1.00 0.00 H new ATOM 0 HB3 PHE A 151 62.307 5.772 9.207 1.00 0.00 H new ATOM 0 HD1 PHE A 151 58.853 6.499 7.907 1.00 0.00 H new ATOM 0 HD2 PHE A 151 62.751 8.048 8.829 1.00 0.00 H new ATOM 0 HE1 PHE A 151 58.065 8.792 7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 151 61.965 10.340 8.301 1.00 0.00 H new ATOM 0 HZ PHE A 151 59.622 10.712 7.580 1.00 0.00 H new ATOM 985 N ASP A 152 63.807 5.262 7.254 1.00 0.00 N ATOM 986 CA ASP A 152 65.054 5.633 6.524 1.00 0.00 C ATOM 987 C ASP A 152 65.127 4.895 5.185 1.00 0.00 C ATOM 988 O ASP A 152 65.217 5.502 4.136 1.00 0.00 O ATOM 989 CB ASP A 152 66.197 5.195 7.441 1.00 0.00 C ATOM 990 CG ASP A 152 66.989 6.424 7.891 1.00 0.00 C ATOM 991 OD1 ASP A 152 66.401 7.490 7.961 1.00 0.00 O ATOM 992 OD2 ASP A 152 68.170 6.277 8.156 1.00 0.00 O ATOM 0 H ASP A 152 63.937 4.998 8.231 1.00 0.00 H new ATOM 0 HA ASP A 152 65.097 6.699 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 152 65.800 4.667 8.308 1.00 0.00 H new ATOM 0 HB3 ASP A 152 66.852 4.499 6.917 1.00 0.00 H new ATOM 997 N GLU A 153 65.087 3.592 5.209 1.00 0.00 N ATOM 998 CA GLU A 153 65.154 2.822 3.934 1.00 0.00 C ATOM 999 C GLU A 153 63.980 3.205 3.029 1.00 0.00 C ATOM 1000 O GLU A 153 64.124 3.335 1.829 1.00 0.00 O ATOM 1001 CB GLU A 153 65.054 1.354 4.351 1.00 0.00 C ATOM 1002 CG GLU A 153 66.210 1.012 5.294 1.00 0.00 C ATOM 1003 CD GLU A 153 65.919 -0.313 6.001 1.00 0.00 C ATOM 1004 OE1 GLU A 153 64.941 -0.950 5.646 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.681 -0.668 6.885 1.00 0.00 O ATOM 0 H GLU A 153 65.011 3.027 6.055 1.00 0.00 H new ATOM 0 HA GLU A 153 66.068 3.023 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.100 1.169 4.846 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.086 0.712 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.142 0.940 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.341 1.807 6.028 1.00 0.00 H new ATOM 1012 N PHE A 154 62.821 3.390 3.597 1.00 0.00 N ATOM 1013 CA PHE A 154 61.638 3.769 2.773 1.00 0.00 C ATOM 1014 C PHE A 154 61.865 5.135 2.118 1.00 0.00 C ATOM 1015 O PHE A 154 61.709 5.296 0.924 1.00 0.00 O ATOM 1016 CB PHE A 154 60.476 3.839 3.764 1.00 0.00 C ATOM 1017 CG PHE A 154 59.169 3.828 3.010 1.00 0.00 C ATOM 1018 CD1 PHE A 154 58.592 2.612 2.627 1.00 0.00 C ATOM 1019 CD2 PHE A 154 58.534 5.035 2.693 1.00 0.00 C ATOM 1020 CE1 PHE A 154 57.379 2.603 1.928 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.321 5.026 1.994 1.00 0.00 C ATOM 1022 CZ PHE A 154 56.744 3.809 1.611 1.00 0.00 C ATOM 0 H PHE A 154 62.641 3.295 4.597 1.00 0.00 H new ATOM 0 HA PHE A 154 61.449 3.058 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.519 2.994 4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 154 60.552 4.744 4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 154 59.082 1.681 2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 154 58.980 5.973 2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 154 56.933 1.665 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 154 56.831 5.957 1.750 1.00 0.00 H new ATOM 0 HZ PHE A 154 55.809 3.801 1.071 1.00 0.00 H new ATOM 1032 N LEU A 155 62.232 6.119 2.890 1.00 0.00 N ATOM 1033 CA LEU A 155 62.466 7.475 2.314 1.00 0.00 C ATOM 1034 C LEU A 155 63.338 7.380 1.059 1.00 0.00 C ATOM 1035 O LEU A 155 62.983 7.874 0.006 1.00 0.00 O ATOM 1036 CB LEU A 155 63.196 8.252 3.410 1.00 0.00 C ATOM 1037 CG LEU A 155 62.280 8.407 4.624 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.118 8.766 5.853 1.00 0.00 C ATOM 1039 CD2 LEU A 155 61.266 9.521 4.357 1.00 0.00 C ATOM 0 H LEU A 155 62.381 6.044 3.896 1.00 0.00 H new ATOM 0 HA LEU A 155 61.535 7.959 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 155 64.109 7.729 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 155 63.493 9.233 3.038 1.00 0.00 H new ATOM 0 HG LEU A 155 61.753 7.470 4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 155 62.465 8.877 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 155 63.842 7.974 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 155 63.644 9.703 5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 155 60.612 9.633 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 155 61.794 10.458 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 155 60.669 9.267 3.481 1.00 0.00 H new ATOM 1051 N LYS A 156 64.479 6.760 1.165 1.00 0.00 N ATOM 1052 CA LYS A 156 65.379 6.641 -0.017 1.00 0.00 C ATOM 1053 C LYS A 156 64.684 5.880 -1.149 1.00 0.00 C ATOM 1054 O LYS A 156 64.640 6.331 -2.277 1.00 0.00 O ATOM 1055 CB LYS A 156 66.593 5.861 0.487 1.00 0.00 C ATOM 1056 CG LYS A 156 67.743 6.831 0.760 1.00 0.00 C ATOM 1057 CD LYS A 156 68.931 6.067 1.345 1.00 0.00 C ATOM 1058 CE LYS A 156 70.193 6.927 1.236 1.00 0.00 C ATOM 1059 NZ LYS A 156 71.320 5.994 1.509 1.00 0.00 N ATOM 0 H LYS A 156 64.829 6.329 2.021 1.00 0.00 H new ATOM 0 HA LYS A 156 65.656 7.615 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 156 66.338 5.317 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 156 66.896 5.120 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 156 68.038 7.330 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 156 67.420 7.608 1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 156 68.738 5.816 2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 156 69.071 5.127 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 156 70.282 7.374 0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 156 70.176 7.746 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 72.220 6.511 1.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 71.213 5.589 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 71.315 5.229 0.805 1.00 0.00 H new ATOM 1073 N MET A 157 64.141 4.729 -0.860 1.00 0.00 N ATOM 1074 CA MET A 157 63.453 3.944 -1.926 1.00 0.00 C ATOM 1075 C MET A 157 62.484 4.849 -2.696 1.00 0.00 C ATOM 1076 O MET A 157 62.461 4.862 -3.911 1.00 0.00 O ATOM 1077 CB MET A 157 62.725 2.816 -1.169 1.00 0.00 C ATOM 1078 CG MET A 157 61.211 3.068 -1.109 1.00 0.00 C ATOM 1079 SD MET A 157 60.386 1.637 -0.368 1.00 0.00 S ATOM 1080 CE MET A 157 61.171 0.362 -1.383 1.00 0.00 C ATOM 0 H MET A 157 64.143 4.299 0.065 1.00 0.00 H new ATOM 0 HA MET A 157 64.135 3.536 -2.672 1.00 0.00 H new ATOM 0 HB2 MET A 157 62.917 1.862 -1.661 1.00 0.00 H new ATOM 0 HB3 MET A 157 63.123 2.739 -0.157 1.00 0.00 H new ATOM 0 HG2 MET A 157 61.004 3.963 -0.523 1.00 0.00 H new ATOM 0 HG3 MET A 157 60.822 3.246 -2.111 1.00 0.00 H new ATOM 0 HE1 MET A 157 60.527 -0.517 -1.425 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.329 0.745 -2.391 1.00 0.00 H new ATOM 0 HE3 MET A 157 62.131 0.088 -0.945 1.00 0.00 H new ATOM 1090 N MET A 158 61.689 5.605 -1.994 1.00 0.00 N ATOM 1091 CA MET A 158 60.724 6.513 -2.678 1.00 0.00 C ATOM 1092 C MET A 158 61.319 7.918 -2.800 1.00 0.00 C ATOM 1093 O MET A 158 60.616 8.907 -2.749 1.00 0.00 O ATOM 1094 CB MET A 158 59.488 6.530 -1.777 1.00 0.00 C ATOM 1095 CG MET A 158 58.391 5.664 -2.397 1.00 0.00 C ATOM 1096 SD MET A 158 58.311 4.078 -1.529 1.00 0.00 S ATOM 1097 CE MET A 158 58.020 3.041 -2.984 1.00 0.00 C ATOM 0 H MET A 158 61.664 5.635 -0.975 1.00 0.00 H new ATOM 0 HA MET A 158 60.486 6.179 -3.688 1.00 0.00 H new ATOM 0 HB2 MET A 158 59.743 6.157 -0.785 1.00 0.00 H new ATOM 0 HB3 MET A 158 59.131 7.552 -1.651 1.00 0.00 H new ATOM 0 HG2 MET A 158 57.430 6.175 -2.333 1.00 0.00 H new ATOM 0 HG3 MET A 158 58.596 5.502 -3.455 1.00 0.00 H new ATOM 0 HE1 MET A 158 57.936 1.998 -2.677 1.00 0.00 H new ATOM 0 HE2 MET A 158 57.096 3.351 -3.473 1.00 0.00 H new ATOM 0 HE3 MET A 158 58.852 3.149 -3.680 1.00 0.00 H new