USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=6 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 42:sc= -0.361 USER MOD Set 1.2: A 157 MET CE :methyl 157:sc= -6.23! (180deg=-7.75!) USER MOD Single : A 100 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.4!) USER MOD Single : A 101 CYS SG : rot 71:sc= 1.28 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -0.812 K(o=-0.81,f=-4.4!) USER MOD Single : A 125 THR OG1 : rot -97:sc= 0.842 USER MOD Single : A 128 HIS :FLIP no HE2:sc= -0.576 F(o=-2.3,f=-0.58) USER MOD Single : A 138 MET CE :methyl -164:sc= -2.43! (180deg=-3.75!) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -1.15! X(o=-1.1!,f=-1.2) USER MOD Single : A 145 ASN : amide:sc= -0.0506 X(o=-0.051,f=-0.34) 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 58.130 14.590 4.323 1.00 0.00 N ATOM 116 CA GLU A 96 56.956 14.552 5.241 1.00 0.00 C ATOM 117 C GLU A 96 55.865 13.643 4.670 1.00 0.00 C ATOM 118 O GLU A 96 55.424 12.709 5.310 1.00 0.00 O ATOM 119 CB GLU A 96 56.464 15.999 5.316 1.00 0.00 C ATOM 120 CG GLU A 96 55.448 16.134 6.451 1.00 0.00 C ATOM 121 CD GLU A 96 54.968 17.583 6.540 1.00 0.00 C ATOM 122 OE1 GLU A 96 54.520 18.101 5.531 1.00 0.00 O ATOM 123 OE2 GLU A 96 55.059 18.151 7.616 1.00 0.00 O ATOM 0 HA GLU A 96 57.214 14.158 6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 96 57.305 16.672 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 96 56.008 16.289 4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 96 54.602 15.470 6.276 1.00 0.00 H new ATOM 0 HG3 GLU A 96 55.900 15.831 7.395 1.00 0.00 H new ATOM 130 N GLU A 97 55.425 13.910 3.470 1.00 0.00 N ATOM 131 CA GLU A 97 54.361 13.060 2.860 1.00 0.00 C ATOM 132 C GLU A 97 54.840 11.608 2.759 1.00 0.00 C ATOM 133 O GLU A 97 54.191 10.696 3.232 1.00 0.00 O ATOM 134 CB GLU A 97 54.130 13.647 1.468 1.00 0.00 C ATOM 135 CG GLU A 97 52.682 14.131 1.351 1.00 0.00 C ATOM 136 CD GLU A 97 52.468 14.767 -0.024 1.00 0.00 C ATOM 137 OE1 GLU A 97 53.039 15.818 -0.264 1.00 0.00 O ATOM 138 OE2 GLU A 97 51.736 14.192 -0.813 1.00 0.00 O ATOM 0 H GLU A 97 55.755 14.678 2.886 1.00 0.00 H new ATOM 0 HA GLU A 97 53.447 13.054 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 97 54.817 14.475 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 97 54.336 12.895 0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 97 51.996 13.296 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 97 52.464 14.855 2.136 1.00 0.00 H new ATOM 145 N LEU A 98 55.971 11.387 2.148 1.00 0.00 N ATOM 146 CA LEU A 98 56.487 9.992 2.020 1.00 0.00 C ATOM 147 C LEU A 98 56.484 9.302 3.387 1.00 0.00 C ATOM 148 O LEU A 98 55.777 8.337 3.602 1.00 0.00 O ATOM 149 CB LEU A 98 57.915 10.146 1.495 1.00 0.00 C ATOM 150 CG LEU A 98 57.891 10.212 -0.034 1.00 0.00 C ATOM 151 CD1 LEU A 98 59.250 10.689 -0.550 1.00 0.00 C ATOM 152 CD2 LEU A 98 57.592 8.822 -0.599 1.00 0.00 C ATOM 0 H LEU A 98 56.560 12.109 1.732 1.00 0.00 H new ATOM 0 HA LEU A 98 55.875 9.381 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 98 58.368 11.050 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 98 58.528 9.307 1.824 1.00 0.00 H new ATOM 0 HG LEU A 98 57.118 10.911 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 98 59.230 10.735 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 98 59.464 11.680 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 98 60.025 9.993 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 98 57.575 8.868 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 98 58.365 8.124 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 98 56.623 8.482 -0.235 1.00 0.00 H new ATOM 164 N ALA A 99 57.264 9.790 4.313 1.00 0.00 N ATOM 165 CA ALA A 99 57.299 9.163 5.664 1.00 0.00 C ATOM 166 C ALA A 99 55.874 8.871 6.142 1.00 0.00 C ATOM 167 O ALA A 99 55.581 7.800 6.637 1.00 0.00 O ATOM 168 CB ALA A 99 57.964 10.201 6.568 1.00 0.00 C ATOM 0 H ALA A 99 57.878 10.595 4.192 1.00 0.00 H new ATOM 0 HA ALA A 99 57.840 8.216 5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 99 58.027 9.812 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 99 58.967 10.415 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 99 57.373 11.117 6.566 1.00 0.00 H new ATOM 174 N ASN A 100 54.987 9.817 5.995 1.00 0.00 N ATOM 175 CA ASN A 100 53.580 9.599 6.438 1.00 0.00 C ATOM 176 C ASN A 100 53.000 8.355 5.758 1.00 0.00 C ATOM 177 O ASN A 100 52.417 7.502 6.397 1.00 0.00 O ATOM 178 CB ASN A 100 52.825 10.853 5.994 1.00 0.00 C ATOM 179 CG ASN A 100 53.075 11.981 6.998 1.00 0.00 C ATOM 180 OD1 ASN A 100 53.703 11.774 8.017 1.00 0.00 O ATOM 181 ND2 ASN A 100 52.608 13.174 6.749 1.00 0.00 N ATOM 0 H ASN A 100 55.176 10.733 5.587 1.00 0.00 H new ATOM 0 HA ASN A 100 53.506 9.439 7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 100 53.155 11.156 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 100 51.758 10.643 5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 100 52.770 13.933 7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 100 52.081 13.347 5.893 1.00 0.00 H new ATOM 188 N CYS A 101 53.157 8.245 4.467 1.00 0.00 N ATOM 189 CA CYS A 101 52.616 7.054 3.751 1.00 0.00 C ATOM 190 C CYS A 101 52.958 5.777 4.522 1.00 0.00 C ATOM 191 O CYS A 101 52.232 4.803 4.480 1.00 0.00 O ATOM 192 CB CYS A 101 53.309 7.063 2.388 1.00 0.00 C ATOM 193 SG CYS A 101 52.875 8.580 1.500 1.00 0.00 S ATOM 0 H CYS A 101 53.635 8.927 3.878 1.00 0.00 H new ATOM 0 HA CYS A 101 51.531 7.085 3.654 1.00 0.00 H new ATOM 0 HB2 CYS A 101 54.390 7.001 2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 101 53.007 6.191 1.809 1.00 0.00 H new ATOM 0 HG CYS A 101 53.459 9.595 2.064 1.00 0.00 H new ATOM 199 N PHE A 102 54.057 5.772 5.229 1.00 0.00 N ATOM 200 CA PHE A 102 54.433 4.553 6.001 1.00 0.00 C ATOM 201 C PHE A 102 53.209 4.008 6.738 1.00 0.00 C ATOM 202 O PHE A 102 52.756 2.910 6.484 1.00 0.00 O ATOM 203 CB PHE A 102 55.492 5.020 7.001 1.00 0.00 C ATOM 204 CG PHE A 102 56.030 3.824 7.749 1.00 0.00 C ATOM 205 CD1 PHE A 102 55.298 3.275 8.809 1.00 0.00 C ATOM 206 CD2 PHE A 102 57.259 3.263 7.382 1.00 0.00 C ATOM 207 CE1 PHE A 102 55.795 2.165 9.501 1.00 0.00 C ATOM 208 CE2 PHE A 102 57.756 2.152 8.074 1.00 0.00 C ATOM 209 CZ PHE A 102 57.023 1.604 9.134 1.00 0.00 C ATOM 0 H PHE A 102 54.707 6.555 5.305 1.00 0.00 H new ATOM 0 HA PHE A 102 54.808 3.756 5.358 1.00 0.00 H new ATOM 0 HB2 PHE A 102 56.301 5.532 6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.059 5.736 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 102 54.350 3.708 9.092 1.00 0.00 H new ATOM 0 HD2 PHE A 102 57.824 3.687 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 102 55.231 1.741 10.318 1.00 0.00 H new ATOM 0 HE2 PHE A 102 58.704 1.718 7.791 1.00 0.00 H new ATOM 0 HZ PHE A 102 57.406 0.747 9.669 1.00 0.00 H new ATOM 219 N ARG A 103 52.664 4.771 7.646 1.00 0.00 N ATOM 220 CA ARG A 103 51.464 4.297 8.390 1.00 0.00 C ATOM 221 C ARG A 103 50.398 3.819 7.402 1.00 0.00 C ATOM 222 O ARG A 103 49.764 2.803 7.599 1.00 0.00 O ATOM 223 CB ARG A 103 50.973 5.515 9.171 1.00 0.00 C ATOM 224 CG ARG A 103 51.752 5.628 10.484 1.00 0.00 C ATOM 225 CD ARG A 103 50.828 5.293 11.658 1.00 0.00 C ATOM 226 NE ARG A 103 50.849 3.807 11.753 1.00 0.00 N ATOM 227 CZ ARG A 103 51.679 3.216 12.569 1.00 0.00 C ATOM 228 NH1 ARG A 103 51.424 3.184 13.847 1.00 0.00 N ATOM 229 NH2 ARG A 103 52.767 2.660 12.106 1.00 0.00 N ATOM 0 H ARG A 103 52.997 5.700 7.904 1.00 0.00 H new ATOM 0 HA ARG A 103 51.686 3.459 9.051 1.00 0.00 H new ATOM 0 HB2 ARG A 103 51.107 6.419 8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 103 49.906 5.423 9.375 1.00 0.00 H new ATOM 0 HG2 ARG A 103 52.604 4.948 10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 103 52.150 6.636 10.597 1.00 0.00 H new ATOM 0 HD2 ARG A 103 51.181 5.753 12.581 1.00 0.00 H new ATOM 0 HD3 ARG A 103 49.818 5.663 11.483 1.00 0.00 H new ATOM 0 HE ARG A 103 50.214 3.251 11.180 1.00 0.00 H new ATOM 0 HH11 ARG A 103 50.576 3.621 14.209 1.00 0.00 H new ATOM 0 HH12 ARG A 103 52.072 2.722 14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 103 52.968 2.688 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 103 53.415 2.198 12.744 1.00 0.00 H new ATOM 243 N ILE A 104 50.204 4.543 6.332 1.00 0.00 N ATOM 244 CA ILE A 104 49.188 4.126 5.325 1.00 0.00 C ATOM 245 C ILE A 104 49.565 2.758 4.750 1.00 0.00 C ATOM 246 O ILE A 104 48.721 1.914 4.525 1.00 0.00 O ATOM 247 CB ILE A 104 49.241 5.203 4.240 1.00 0.00 C ATOM 248 CG1 ILE A 104 48.615 6.494 4.774 1.00 0.00 C ATOM 249 CG2 ILE A 104 48.462 4.729 3.012 1.00 0.00 C ATOM 250 CD1 ILE A 104 47.129 6.265 5.053 1.00 0.00 C ATOM 0 H ILE A 104 50.705 5.404 6.113 1.00 0.00 H new ATOM 0 HA ILE A 104 48.189 4.032 5.750 1.00 0.00 H new ATOM 0 HB ILE A 104 50.278 5.389 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 104 49.123 6.806 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 104 48.740 7.298 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 104 48.500 5.496 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 104 48.906 3.809 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 104 47.424 4.543 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 104 46.684 7.185 5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 104 46.626 5.973 4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 104 47.016 5.474 5.794 1.00 0.00 H new ATOM 262 N PHE A 105 50.830 2.534 4.521 1.00 0.00 N ATOM 263 CA PHE A 105 51.269 1.219 3.971 1.00 0.00 C ATOM 264 C PHE A 105 51.028 0.117 5.004 1.00 0.00 C ATOM 265 O PHE A 105 50.419 -0.895 4.721 1.00 0.00 O ATOM 266 CB PHE A 105 52.767 1.379 3.712 1.00 0.00 C ATOM 267 CG PHE A 105 53.000 1.746 2.267 1.00 0.00 C ATOM 268 CD1 PHE A 105 52.431 2.910 1.739 1.00 0.00 C ATOM 269 CD2 PHE A 105 53.790 0.921 1.457 1.00 0.00 C ATOM 270 CE1 PHE A 105 52.652 3.250 0.398 1.00 0.00 C ATOM 271 CE2 PHE A 105 54.011 1.261 0.118 1.00 0.00 C ATOM 272 CZ PHE A 105 53.443 2.425 -0.412 1.00 0.00 C ATOM 0 H PHE A 105 51.579 3.205 4.691 1.00 0.00 H new ATOM 0 HA PHE A 105 50.724 0.944 3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 105 53.178 2.151 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 105 53.288 0.451 3.950 1.00 0.00 H new ATOM 0 HD1 PHE A 105 51.822 3.546 2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 105 54.229 0.023 1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 105 52.213 4.148 -0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 105 54.620 0.625 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 105 53.614 2.687 -1.446 1.00 0.00 H new ATOM 282 N ASP A 106 51.508 0.312 6.202 1.00 0.00 N ATOM 283 CA ASP A 106 51.319 -0.714 7.265 1.00 0.00 C ATOM 284 C ASP A 106 49.837 -1.069 7.407 1.00 0.00 C ATOM 285 O ASP A 106 48.991 -0.205 7.535 1.00 0.00 O ATOM 286 CB ASP A 106 51.835 -0.050 8.540 1.00 0.00 C ATOM 287 CG ASP A 106 52.173 -1.125 9.573 1.00 0.00 C ATOM 288 OD1 ASP A 106 51.671 -2.228 9.434 1.00 0.00 O ATOM 289 OD2 ASP A 106 52.926 -0.827 10.484 1.00 0.00 O ATOM 0 H ASP A 106 52.025 1.142 6.491 1.00 0.00 H new ATOM 0 HA ASP A 106 51.844 -1.643 7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 106 52.719 0.548 8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 106 51.082 0.629 8.939 1.00 0.00 H new ATOM 294 N LYS A 107 49.516 -2.333 7.388 1.00 0.00 N ATOM 295 CA LYS A 107 48.089 -2.743 7.527 1.00 0.00 C ATOM 296 C LYS A 107 47.794 -3.148 8.974 1.00 0.00 C ATOM 297 O LYS A 107 46.654 -3.266 9.376 1.00 0.00 O ATOM 298 CB LYS A 107 47.928 -3.941 6.590 1.00 0.00 C ATOM 299 CG LYS A 107 47.790 -3.448 5.148 1.00 0.00 C ATOM 300 CD LYS A 107 46.319 -3.160 4.844 1.00 0.00 C ATOM 301 CE LYS A 107 46.221 -2.202 3.656 1.00 0.00 C ATOM 302 NZ LYS A 107 45.215 -2.818 2.747 1.00 0.00 N ATOM 0 H LYS A 107 50.180 -3.100 7.282 1.00 0.00 H new ATOM 0 HA LYS A 107 47.401 -1.936 7.277 1.00 0.00 H new ATOM 0 HB2 LYS A 107 48.789 -4.603 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 107 47.050 -4.521 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 107 48.385 -2.547 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 107 48.174 -4.199 4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 107 45.794 -4.089 4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 107 45.835 -2.723 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 107 45.908 -1.208 3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 107 47.185 -2.089 3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 45.093 -2.217 1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 45.543 -3.761 2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 44.306 -2.907 3.244 1.00 0.00 H new ATOM 316 N ASN A 108 48.814 -3.360 9.759 1.00 0.00 N ATOM 317 CA ASN A 108 48.593 -3.755 11.180 1.00 0.00 C ATOM 318 C ASN A 108 49.486 -2.925 12.105 1.00 0.00 C ATOM 319 O ASN A 108 49.631 -3.219 13.275 1.00 0.00 O ATOM 320 CB ASN A 108 48.974 -5.236 11.245 1.00 0.00 C ATOM 321 CG ASN A 108 50.496 -5.378 11.197 1.00 0.00 C ATOM 322 OD1 ASN A 108 51.133 -5.561 12.215 1.00 0.00 O ATOM 323 ND2 ASN A 108 51.110 -5.301 10.048 1.00 0.00 N ATOM 0 H ASN A 108 49.791 -3.277 9.479 1.00 0.00 H new ATOM 0 HA ASN A 108 47.565 -3.587 11.501 1.00 0.00 H new ATOM 0 HB2 ASN A 108 48.586 -5.682 12.161 1.00 0.00 H new ATOM 0 HB3 ASN A 108 48.522 -5.775 10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 108 52.125 -5.395 10.005 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.575 -5.147 9.193 1.00 0.00 H new ATOM 330 N ALA A 109 50.086 -1.886 11.588 1.00 0.00 N ATOM 331 CA ALA A 109 50.968 -1.035 12.435 1.00 0.00 C ATOM 332 C ALA A 109 52.057 -1.887 13.095 1.00 0.00 C ATOM 333 O ALA A 109 52.186 -1.918 14.303 1.00 0.00 O ATOM 334 CB ALA A 109 50.042 -0.435 13.493 1.00 0.00 C ATOM 0 H ALA A 109 50.003 -1.591 10.615 1.00 0.00 H new ATOM 0 HA ALA A 109 51.478 -0.266 11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 109 50.618 0.207 14.159 1.00 0.00 H new ATOM 0 HB2 ALA A 109 49.265 0.153 13.005 1.00 0.00 H new ATOM 0 HB3 ALA A 109 49.582 -1.237 14.071 1.00 0.00 H new ATOM 340 N ASP A 110 52.841 -2.577 12.313 1.00 0.00 N ATOM 341 CA ASP A 110 53.921 -3.422 12.900 1.00 0.00 C ATOM 342 C ASP A 110 55.172 -2.577 13.156 1.00 0.00 C ATOM 343 O ASP A 110 56.073 -2.982 13.863 1.00 0.00 O ATOM 344 CB ASP A 110 54.203 -4.494 11.847 1.00 0.00 C ATOM 345 CG ASP A 110 54.571 -3.828 10.520 1.00 0.00 C ATOM 346 OD1 ASP A 110 54.915 -2.658 10.540 1.00 0.00 O ATOM 347 OD2 ASP A 110 54.504 -4.500 9.504 1.00 0.00 O ATOM 0 H ASP A 110 52.781 -2.593 11.295 1.00 0.00 H new ATOM 0 HA ASP A 110 53.631 -3.858 13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 110 55.016 -5.139 12.179 1.00 0.00 H new ATOM 0 HB3 ASP A 110 53.326 -5.128 11.716 1.00 0.00 H new ATOM 352 N GLY A 111 55.233 -1.403 12.588 1.00 0.00 N ATOM 353 CA GLY A 111 56.424 -0.532 12.802 1.00 0.00 C ATOM 354 C GLY A 111 57.430 -0.746 11.671 1.00 0.00 C ATOM 355 O GLY A 111 58.388 -0.009 11.534 1.00 0.00 O ATOM 0 H GLY A 111 54.510 -1.010 11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 111 56.120 0.514 12.838 1.00 0.00 H new ATOM 0 HA3 GLY A 111 56.887 -0.762 13.762 1.00 0.00 H new ATOM 359 N PHE A 112 57.227 -1.746 10.858 1.00 0.00 N ATOM 360 CA PHE A 112 58.182 -1.998 9.739 1.00 0.00 C ATOM 361 C PHE A 112 57.469 -2.672 8.562 1.00 0.00 C ATOM 362 O PHE A 112 56.688 -3.585 8.738 1.00 0.00 O ATOM 363 CB PHE A 112 59.240 -2.934 10.323 1.00 0.00 C ATOM 364 CG PHE A 112 59.781 -2.350 11.606 1.00 0.00 C ATOM 365 CD1 PHE A 112 59.169 -2.655 12.827 1.00 0.00 C ATOM 366 CD2 PHE A 112 60.896 -1.504 11.573 1.00 0.00 C ATOM 367 CE1 PHE A 112 59.673 -2.115 14.016 1.00 0.00 C ATOM 368 CE2 PHE A 112 61.400 -0.964 12.763 1.00 0.00 C ATOM 369 CZ PHE A 112 60.788 -1.269 13.984 1.00 0.00 C ATOM 0 H PHE A 112 56.445 -2.398 10.918 1.00 0.00 H new ATOM 0 HA PHE A 112 58.615 -1.073 9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 112 58.806 -3.916 10.513 1.00 0.00 H new ATOM 0 HB3 PHE A 112 60.049 -3.076 9.607 1.00 0.00 H new ATOM 0 HD1 PHE A 112 58.308 -3.307 12.852 1.00 0.00 H new ATOM 0 HD2 PHE A 112 61.367 -1.268 10.630 1.00 0.00 H new ATOM 0 HE1 PHE A 112 59.201 -2.351 14.959 1.00 0.00 H new ATOM 0 HE2 PHE A 112 62.261 -0.312 12.738 1.00 0.00 H new ATOM 0 HZ PHE A 112 61.176 -0.852 14.902 1.00 0.00 H new ATOM 379 N ILE A 113 57.740 -2.231 7.363 1.00 0.00 N ATOM 380 CA ILE A 113 57.087 -2.850 6.174 1.00 0.00 C ATOM 381 C ILE A 113 57.919 -4.038 5.681 1.00 0.00 C ATOM 382 O ILE A 113 59.078 -3.897 5.345 1.00 0.00 O ATOM 383 CB ILE A 113 57.058 -1.746 5.117 1.00 0.00 C ATOM 384 CG1 ILE A 113 56.531 -0.452 5.742 1.00 0.00 C ATOM 385 CG2 ILE A 113 56.142 -2.162 3.964 1.00 0.00 C ATOM 386 CD1 ILE A 113 56.667 0.692 4.736 1.00 0.00 C ATOM 0 H ILE A 113 58.385 -1.469 7.156 1.00 0.00 H new ATOM 0 HA ILE A 113 56.089 -3.225 6.398 1.00 0.00 H new ATOM 0 HB ILE A 113 58.067 -1.584 4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 113 55.487 -0.574 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 113 57.088 -0.221 6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 113 56.123 -1.373 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 113 56.516 -3.082 3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 113 55.133 -2.327 4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 113 56.292 1.614 5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 113 57.716 0.819 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 113 56.090 0.460 3.841 1.00 0.00 H new ATOM 398 N ASP A 114 57.339 -5.204 5.634 1.00 0.00 N ATOM 399 CA ASP A 114 58.104 -6.396 5.161 1.00 0.00 C ATOM 400 C ASP A 114 57.793 -6.678 3.692 1.00 0.00 C ATOM 401 O ASP A 114 56.901 -6.091 3.110 1.00 0.00 O ATOM 402 CB ASP A 114 57.625 -7.557 6.033 1.00 0.00 C ATOM 403 CG ASP A 114 56.097 -7.609 6.025 1.00 0.00 C ATOM 404 OD1 ASP A 114 55.518 -7.272 5.004 1.00 0.00 O ATOM 405 OD2 ASP A 114 55.530 -7.985 7.037 1.00 0.00 O ATOM 0 H ASP A 114 56.371 -5.385 5.901 1.00 0.00 H new ATOM 0 HA ASP A 114 59.180 -6.244 5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 114 58.033 -8.497 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 114 57.989 -7.433 7.053 1.00 0.00 H new ATOM 410 N ILE A 115 58.520 -7.576 3.091 1.00 0.00 N ATOM 411 CA ILE A 115 58.264 -7.905 1.659 1.00 0.00 C ATOM 412 C ILE A 115 56.823 -8.388 1.484 1.00 0.00 C ATOM 413 O ILE A 115 56.176 -8.102 0.497 1.00 0.00 O ATOM 414 CB ILE A 115 59.250 -9.022 1.316 1.00 0.00 C ATOM 415 CG1 ILE A 115 59.008 -9.486 -0.122 1.00 0.00 C ATOM 416 CG2 ILE A 115 59.045 -10.202 2.269 1.00 0.00 C ATOM 417 CD1 ILE A 115 60.269 -9.252 -0.956 1.00 0.00 C ATOM 0 H ILE A 115 59.280 -8.097 3.527 1.00 0.00 H new ATOM 0 HA ILE A 115 58.395 -7.040 1.008 1.00 0.00 H new ATOM 0 HB ILE A 115 60.269 -8.648 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 115 58.743 -10.543 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 115 58.168 -8.942 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 115 59.749 -10.996 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 115 59.213 -9.875 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 115 58.026 -10.577 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 115 60.095 -9.583 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 115 60.514 -8.190 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 115 61.098 -9.816 -0.528 1.00 0.00 H new ATOM 429 N GLU A 116 56.313 -9.119 2.440 1.00 0.00 N ATOM 430 CA GLU A 116 54.913 -9.615 2.330 1.00 0.00 C ATOM 431 C GLU A 116 53.973 -8.452 2.000 1.00 0.00 C ATOM 432 O GLU A 116 53.229 -8.493 1.040 1.00 0.00 O ATOM 433 CB GLU A 116 54.587 -10.197 3.705 1.00 0.00 C ATOM 434 CG GLU A 116 55.331 -11.522 3.889 1.00 0.00 C ATOM 435 CD GLU A 116 54.738 -12.576 2.952 1.00 0.00 C ATOM 436 OE1 GLU A 116 53.562 -12.471 2.643 1.00 0.00 O ATOM 437 OE2 GLU A 116 55.469 -13.470 2.558 1.00 0.00 O ATOM 0 H GLU A 116 56.806 -9.393 3.290 1.00 0.00 H new ATOM 0 HA GLU A 116 54.795 -10.357 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 116 54.876 -9.494 4.487 1.00 0.00 H new ATOM 0 HB3 GLU A 116 53.513 -10.355 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 116 56.392 -11.388 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 116 55.252 -11.855 4.924 1.00 0.00 H new ATOM 444 N GLU A 117 54.008 -7.413 2.788 1.00 0.00 N ATOM 445 CA GLU A 117 53.123 -6.244 2.518 1.00 0.00 C ATOM 446 C GLU A 117 53.372 -5.719 1.101 1.00 0.00 C ATOM 447 O GLU A 117 52.454 -5.377 0.383 1.00 0.00 O ATOM 448 CB GLU A 117 53.523 -5.197 3.558 1.00 0.00 C ATOM 449 CG GLU A 117 53.119 -5.680 4.953 1.00 0.00 C ATOM 450 CD GLU A 117 53.685 -4.727 6.007 1.00 0.00 C ATOM 451 OE1 GLU A 117 53.435 -3.538 5.899 1.00 0.00 O ATOM 452 OE2 GLU A 117 54.359 -5.204 6.906 1.00 0.00 O ATOM 0 H GLU A 117 54.610 -7.322 3.606 1.00 0.00 H new ATOM 0 HA GLU A 117 52.065 -6.497 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 117 54.598 -5.023 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 117 53.038 -4.246 3.337 1.00 0.00 H new ATOM 0 HG2 GLU A 117 52.033 -5.725 5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 117 53.493 -6.690 5.122 1.00 0.00 H new ATOM 459 N LEU A 118 54.611 -5.656 0.695 1.00 0.00 N ATOM 460 CA LEU A 118 54.926 -5.157 -0.675 1.00 0.00 C ATOM 461 C LEU A 118 54.145 -5.962 -1.720 1.00 0.00 C ATOM 462 O LEU A 118 53.594 -5.416 -2.655 1.00 0.00 O ATOM 463 CB LEU A 118 56.429 -5.386 -0.839 1.00 0.00 C ATOM 464 CG LEU A 118 57.127 -4.056 -1.134 1.00 0.00 C ATOM 465 CD1 LEU A 118 56.685 -3.541 -2.503 1.00 0.00 C ATOM 466 CD2 LEU A 118 56.752 -3.033 -0.058 1.00 0.00 C ATOM 0 H LEU A 118 55.420 -5.929 1.253 1.00 0.00 H new ATOM 0 HA LEU A 118 54.654 -4.110 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 118 56.840 -5.829 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 118 56.612 -6.091 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 118 58.207 -4.205 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 118 57.182 -2.594 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 118 56.952 -4.269 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 118 55.605 -3.392 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 118 57.249 -2.086 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 118 55.672 -2.884 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 118 57.068 -3.400 0.919 1.00 0.00 H new ATOM 478 N GLY A 119 54.098 -7.257 -1.568 1.00 0.00 N ATOM 479 CA GLY A 119 53.358 -8.100 -2.551 1.00 0.00 C ATOM 480 C GLY A 119 51.905 -7.628 -2.650 1.00 0.00 C ATOM 481 O GLY A 119 51.514 -6.990 -3.608 1.00 0.00 O ATOM 0 H GLY A 119 54.540 -7.769 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 119 53.837 -8.040 -3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 119 53.390 -9.145 -2.244 1.00 0.00 H new ATOM 485 N GLU A 120 51.102 -7.942 -1.672 1.00 0.00 N ATOM 486 CA GLU A 120 49.672 -7.517 -1.712 1.00 0.00 C ATOM 487 C GLU A 120 49.556 -6.074 -2.208 1.00 0.00 C ATOM 488 O GLU A 120 48.723 -5.756 -3.033 1.00 0.00 O ATOM 489 CB GLU A 120 49.184 -7.630 -0.267 1.00 0.00 C ATOM 490 CG GLU A 120 50.045 -6.747 0.637 1.00 0.00 C ATOM 491 CD GLU A 120 49.680 -7.005 2.100 1.00 0.00 C ATOM 492 OE1 GLU A 120 49.481 -8.158 2.445 1.00 0.00 O ATOM 493 OE2 GLU A 120 49.604 -6.046 2.850 1.00 0.00 O ATOM 0 H GLU A 120 51.373 -8.475 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 120 49.081 -8.130 -2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 120 48.139 -7.326 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 120 49.236 -8.667 0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 120 51.101 -6.960 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 120 49.889 -5.696 0.392 1.00 0.00 H new ATOM 500 N ILE A 121 50.381 -5.198 -1.708 1.00 0.00 N ATOM 501 CA ILE A 121 50.313 -3.775 -2.150 1.00 0.00 C ATOM 502 C ILE A 121 50.438 -3.683 -3.675 1.00 0.00 C ATOM 503 O ILE A 121 49.597 -3.114 -4.342 1.00 0.00 O ATOM 504 CB ILE A 121 51.498 -3.090 -1.471 1.00 0.00 C ATOM 505 CG1 ILE A 121 51.192 -2.905 0.017 1.00 0.00 C ATOM 506 CG2 ILE A 121 51.736 -1.723 -2.115 1.00 0.00 C ATOM 507 CD1 ILE A 121 52.393 -2.256 0.709 1.00 0.00 C ATOM 0 H ILE A 121 51.099 -5.404 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 121 49.365 -3.307 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 121 52.390 -3.706 -1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 121 50.306 -2.282 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 121 50.971 -3.869 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 121 52.581 -1.235 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 121 51.951 -1.853 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 121 50.845 -1.106 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 121 52.175 -2.124 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 121 53.268 -2.896 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 121 52.593 -1.285 0.256 1.00 0.00 H new ATOM 519 N LEU A 122 51.483 -4.234 -4.230 1.00 0.00 N ATOM 520 CA LEU A 122 51.659 -4.173 -5.712 1.00 0.00 C ATOM 521 C LEU A 122 50.524 -4.919 -6.416 1.00 0.00 C ATOM 522 O LEU A 122 49.855 -4.382 -7.276 1.00 0.00 O ATOM 523 CB LEU A 122 52.999 -4.858 -5.982 1.00 0.00 C ATOM 524 CG LEU A 122 54.099 -3.803 -6.100 1.00 0.00 C ATOM 525 CD1 LEU A 122 55.194 -4.091 -5.072 1.00 0.00 C ATOM 526 CD2 LEU A 122 54.699 -3.849 -7.507 1.00 0.00 C ATOM 0 H LEU A 122 52.222 -4.723 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 122 51.642 -3.149 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 122 53.233 -5.553 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 122 52.942 -5.443 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 122 53.677 -2.815 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 122 55.979 -3.339 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 122 54.768 -4.061 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 122 55.617 -5.078 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 122 55.484 -3.097 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 122 55.121 -4.837 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 122 53.920 -3.646 -8.242 1.00 0.00 H new ATOM 538 N ARG A 123 50.301 -6.154 -6.058 1.00 0.00 N ATOM 539 CA ARG A 123 49.209 -6.932 -6.711 1.00 0.00 C ATOM 540 C ARG A 123 47.916 -6.114 -6.726 1.00 0.00 C ATOM 541 O ARG A 123 47.183 -6.110 -7.696 1.00 0.00 O ATOM 542 CB ARG A 123 49.042 -8.183 -5.847 1.00 0.00 C ATOM 543 CG ARG A 123 50.021 -9.262 -6.314 1.00 0.00 C ATOM 544 CD ARG A 123 49.504 -10.638 -5.888 1.00 0.00 C ATOM 545 NE ARG A 123 48.629 -11.082 -7.007 1.00 0.00 N ATOM 546 CZ ARG A 123 47.688 -11.960 -6.792 1.00 0.00 C ATOM 547 NH1 ARG A 123 47.966 -13.235 -6.824 1.00 0.00 N ATOM 548 NH2 ARG A 123 46.470 -11.563 -6.544 1.00 0.00 N ATOM 0 H ARG A 123 50.826 -6.657 -5.343 1.00 0.00 H new ATOM 0 HA ARG A 123 49.441 -7.181 -7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 123 49.224 -7.941 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 123 48.018 -8.551 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 123 50.132 -9.223 -7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 123 51.007 -9.083 -5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 123 50.325 -11.336 -5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 123 48.949 -10.579 -4.952 1.00 0.00 H new ATOM 0 HE ARG A 123 48.765 -10.700 -7.943 1.00 0.00 H new ATOM 0 HH11 ARG A 123 48.919 -13.545 -7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 123 47.231 -13.922 -6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 123 46.254 -10.567 -6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 123 45.734 -12.249 -6.376 1.00 0.00 H new ATOM 562 N ALA A 124 47.632 -5.420 -5.660 1.00 0.00 N ATOM 563 CA ALA A 124 46.388 -4.600 -5.612 1.00 0.00 C ATOM 564 C ALA A 124 46.284 -3.720 -6.860 1.00 0.00 C ATOM 565 O ALA A 124 45.208 -3.461 -7.361 1.00 0.00 O ATOM 566 CB ALA A 124 46.532 -3.737 -4.358 1.00 0.00 C ATOM 0 H ALA A 124 48.208 -5.385 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 124 45.489 -5.216 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 124 45.653 -3.102 -4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 124 46.624 -4.380 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 124 47.422 -3.113 -4.446 1.00 0.00 H new ATOM 572 N THR A 125 47.394 -3.254 -7.365 1.00 0.00 N ATOM 573 CA THR A 125 47.354 -2.388 -8.578 1.00 0.00 C ATOM 574 C THR A 125 46.953 -3.208 -9.807 1.00 0.00 C ATOM 575 O THR A 125 46.460 -2.680 -10.783 1.00 0.00 O ATOM 576 CB THR A 125 48.779 -1.853 -8.730 1.00 0.00 C ATOM 577 OG1 THR A 125 49.648 -2.920 -9.083 1.00 0.00 O ATOM 578 CG2 THR A 125 49.237 -1.233 -7.408 1.00 0.00 C ATOM 0 H THR A 125 48.325 -3.435 -6.991 1.00 0.00 H new ATOM 0 HA THR A 125 46.624 -1.584 -8.485 1.00 0.00 H new ATOM 0 HB THR A 125 48.801 -1.093 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 125 50.089 -3.263 -8.278 1.00 0.00 H new ATOM 0 HG21 THR A 125 50.252 -0.852 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 125 48.569 -0.414 -7.139 1.00 0.00 H new ATOM 0 HG23 THR A 125 49.216 -1.990 -6.624 1.00 0.00 H new ATOM 586 N GLY A 126 47.162 -4.496 -9.770 1.00 0.00 N ATOM 587 CA GLY A 126 46.792 -5.344 -10.938 1.00 0.00 C ATOM 588 C GLY A 126 48.059 -5.895 -11.598 1.00 0.00 C ATOM 589 O GLY A 126 48.002 -6.559 -12.613 1.00 0.00 O ATOM 0 H GLY A 126 47.573 -4.997 -8.982 1.00 0.00 H new ATOM 0 HA2 GLY A 126 46.152 -6.165 -10.615 1.00 0.00 H new ATOM 0 HA3 GLY A 126 46.220 -4.759 -11.658 1.00 0.00 H new ATOM 593 N GLU A 127 49.203 -5.624 -11.030 1.00 0.00 N ATOM 594 CA GLU A 127 50.471 -6.132 -11.628 1.00 0.00 C ATOM 595 C GLU A 127 50.810 -7.514 -11.061 1.00 0.00 C ATOM 596 O GLU A 127 50.767 -7.732 -9.868 1.00 0.00 O ATOM 597 CB GLU A 127 51.536 -5.115 -11.222 1.00 0.00 C ATOM 598 CG GLU A 127 51.590 -3.987 -12.253 1.00 0.00 C ATOM 599 CD GLU A 127 52.997 -3.384 -12.274 1.00 0.00 C ATOM 600 OE1 GLU A 127 53.869 -3.949 -11.635 1.00 0.00 O ATOM 601 OE2 GLU A 127 53.176 -2.371 -12.926 1.00 0.00 O ATOM 0 H GLU A 127 49.314 -5.073 -10.179 1.00 0.00 H new ATOM 0 HA GLU A 127 50.400 -6.241 -12.710 1.00 0.00 H new ATOM 0 HB2 GLU A 127 51.308 -4.709 -10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 127 52.509 -5.602 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 127 51.332 -4.369 -13.240 1.00 0.00 H new ATOM 0 HG3 GLU A 127 50.857 -3.219 -12.007 1.00 0.00 H new ATOM 608 N HIS A 128 51.152 -8.445 -11.910 1.00 0.00 N ATOM 609 CA HIS A 128 51.501 -9.810 -11.415 1.00 0.00 C ATOM 610 C HIS A 128 52.977 -9.857 -11.013 1.00 0.00 C ATOM 611 O HIS A 128 53.729 -10.698 -11.464 1.00 0.00 O ATOM 612 CB HIS A 128 51.231 -10.753 -12.592 1.00 0.00 C ATOM 613 CG HIS A 128 51.896 -10.223 -13.834 1.00 0.00 C ATOM 614 ND1 HIS A 128 53.190 -9.843 -14.093 1.00 0.00 N flip ATOM 615 CD2 HIS A 128 51.202 -10.034 -15.020 1.00 0.00 C flip ATOM 616 CE1 HIS A 128 53.299 -9.423 -15.416 1.00 0.00 C flip ATOM 617 NE2 HIS A 128 52.074 -9.559 -15.928 1.00 0.00 N flip ATOM 0 H HIS A 128 51.205 -8.322 -12.921 1.00 0.00 H new ATOM 0 HA HIS A 128 50.919 -10.091 -10.537 1.00 0.00 H new ATOM 0 HB2 HIS A 128 51.607 -11.750 -12.364 1.00 0.00 H new ATOM 0 HB3 HIS A 128 50.157 -10.847 -12.755 1.00 0.00 H new ATOM 0 HD1 HIS A 128 53.955 -9.865 -13.419 1.00 0.00 H new ATOM 0 HD2 HIS A 128 50.153 -10.232 -15.185 1.00 0.00 H new ATOM 0 HE1 HIS A 128 54.184 -9.064 -15.920 1.00 0.00 H new ATOM 625 N VAL A 129 53.397 -8.954 -10.168 1.00 0.00 N ATOM 626 CA VAL A 129 54.825 -8.938 -9.735 1.00 0.00 C ATOM 627 C VAL A 129 55.157 -10.199 -8.936 1.00 0.00 C ATOM 628 O VAL A 129 54.317 -10.758 -8.259 1.00 0.00 O ATOM 629 CB VAL A 129 54.957 -7.696 -8.852 1.00 0.00 C ATOM 630 CG1 VAL A 129 56.429 -7.476 -8.498 1.00 0.00 C ATOM 631 CG2 VAL A 129 54.429 -6.475 -9.607 1.00 0.00 C ATOM 0 H VAL A 129 52.812 -8.226 -9.758 1.00 0.00 H new ATOM 0 HA VAL A 129 55.509 -8.914 -10.583 1.00 0.00 H new ATOM 0 HB VAL A 129 54.379 -7.838 -7.938 1.00 0.00 H new ATOM 0 HG11 VAL A 129 56.524 -6.591 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 129 56.808 -8.345 -7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 129 57.006 -7.335 -9.412 1.00 0.00 H new ATOM 0 HG21 VAL A 129 54.523 -5.590 -8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 129 55.007 -6.334 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 129 53.380 -6.630 -9.861 1.00 0.00 H new ATOM 641 N ILE A 130 56.380 -10.650 -9.007 1.00 0.00 N ATOM 642 CA ILE A 130 56.771 -11.873 -8.249 1.00 0.00 C ATOM 643 C ILE A 130 57.783 -11.514 -7.158 1.00 0.00 C ATOM 644 O ILE A 130 58.506 -10.545 -7.263 1.00 0.00 O ATOM 645 CB ILE A 130 57.403 -12.798 -9.288 1.00 0.00 C ATOM 646 CG1 ILE A 130 58.495 -12.044 -10.051 1.00 0.00 C ATOM 647 CG2 ILE A 130 56.329 -13.268 -10.271 1.00 0.00 C ATOM 648 CD1 ILE A 130 59.547 -13.036 -10.549 1.00 0.00 C ATOM 0 H ILE A 130 57.126 -10.224 -9.557 1.00 0.00 H new ATOM 0 HA ILE A 130 55.922 -12.343 -7.752 1.00 0.00 H new ATOM 0 HB ILE A 130 57.842 -13.660 -8.785 1.00 0.00 H new ATOM 0 HG12 ILE A 130 58.060 -11.506 -10.893 1.00 0.00 H new ATOM 0 HG13 ILE A 130 58.959 -11.300 -9.403 1.00 0.00 H new ATOM 0 HG21 ILE A 130 56.779 -13.928 -11.013 1.00 0.00 H new ATOM 0 HG22 ILE A 130 55.551 -13.807 -9.730 1.00 0.00 H new ATOM 0 HG23 ILE A 130 55.891 -12.404 -10.772 1.00 0.00 H new ATOM 0 HD11 ILE A 130 60.325 -12.499 -11.092 1.00 0.00 H new ATOM 0 HD12 ILE A 130 59.990 -13.554 -9.698 1.00 0.00 H new ATOM 0 HD13 ILE A 130 59.077 -13.763 -11.212 1.00 0.00 H new ATOM 660 N GLU A 131 57.834 -12.287 -6.109 1.00 0.00 N ATOM 661 CA GLU A 131 58.793 -11.992 -5.006 1.00 0.00 C ATOM 662 C GLU A 131 60.152 -11.567 -5.574 1.00 0.00 C ATOM 663 O GLU A 131 60.688 -10.536 -5.220 1.00 0.00 O ATOM 664 CB GLU A 131 58.924 -13.304 -4.236 1.00 0.00 C ATOM 665 CG GLU A 131 58.621 -13.063 -2.757 1.00 0.00 C ATOM 666 CD GLU A 131 58.737 -14.382 -1.991 1.00 0.00 C ATOM 667 OE1 GLU A 131 58.096 -15.338 -2.396 1.00 0.00 O ATOM 668 OE2 GLU A 131 59.467 -14.415 -1.014 1.00 0.00 O ATOM 0 H GLU A 131 57.252 -13.112 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 131 58.448 -11.175 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 131 58.237 -14.046 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 131 59.931 -13.706 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 131 59.316 -12.330 -2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 131 57.618 -12.651 -2.643 1.00 0.00 H new ATOM 675 N GLU A 132 60.715 -12.357 -6.447 1.00 0.00 N ATOM 676 CA GLU A 132 62.041 -11.999 -7.029 1.00 0.00 C ATOM 677 C GLU A 132 62.069 -10.519 -7.417 1.00 0.00 C ATOM 678 O GLU A 132 63.072 -9.849 -7.274 1.00 0.00 O ATOM 679 CB GLU A 132 62.188 -12.883 -8.268 1.00 0.00 C ATOM 680 CG GLU A 132 63.321 -13.885 -8.043 1.00 0.00 C ATOM 681 CD GLU A 132 64.097 -14.081 -9.346 1.00 0.00 C ATOM 682 OE1 GLU A 132 65.000 -13.300 -9.597 1.00 0.00 O ATOM 683 OE2 GLU A 132 63.774 -15.007 -10.071 1.00 0.00 O ATOM 0 H GLU A 132 60.315 -13.234 -6.782 1.00 0.00 H new ATOM 0 HA GLU A 132 62.855 -12.156 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 132 61.255 -13.410 -8.465 1.00 0.00 H new ATOM 0 HB3 GLU A 132 62.399 -12.269 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 132 63.989 -13.525 -7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 132 62.916 -14.838 -7.702 1.00 0.00 H new ATOM 690 N ASP A 133 60.973 -10.000 -7.897 1.00 0.00 N ATOM 691 CA ASP A 133 60.939 -8.563 -8.281 1.00 0.00 C ATOM 692 C ASP A 133 60.735 -7.716 -7.028 1.00 0.00 C ATOM 693 O ASP A 133 61.366 -6.695 -6.842 1.00 0.00 O ATOM 694 CB ASP A 133 59.744 -8.433 -9.227 1.00 0.00 C ATOM 695 CG ASP A 133 60.238 -8.052 -10.624 1.00 0.00 C ATOM 696 OD1 ASP A 133 61.230 -7.347 -10.709 1.00 0.00 O ATOM 697 OD2 ASP A 133 59.617 -8.474 -11.586 1.00 0.00 O ATOM 0 H ASP A 133 60.101 -10.509 -8.039 1.00 0.00 H new ATOM 0 HA ASP A 133 61.860 -8.227 -8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 133 59.195 -9.374 -9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 133 59.053 -7.677 -8.855 1.00 0.00 H new ATOM 702 N ILE A 134 59.866 -8.148 -6.158 1.00 0.00 N ATOM 703 CA ILE A 134 59.623 -7.390 -4.905 1.00 0.00 C ATOM 704 C ILE A 134 60.871 -7.445 -4.023 1.00 0.00 C ATOM 705 O ILE A 134 61.219 -6.492 -3.358 1.00 0.00 O ATOM 706 CB ILE A 134 58.460 -8.114 -4.241 1.00 0.00 C ATOM 707 CG1 ILE A 134 57.273 -8.140 -5.204 1.00 0.00 C ATOM 708 CG2 ILE A 134 58.070 -7.384 -2.958 1.00 0.00 C ATOM 709 CD1 ILE A 134 56.031 -8.635 -4.468 1.00 0.00 C ATOM 0 H ILE A 134 59.312 -8.998 -6.264 1.00 0.00 H new ATOM 0 HA ILE A 134 59.401 -6.337 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 134 58.752 -9.135 -3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 134 57.096 -7.143 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 134 57.491 -8.792 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 134 57.237 -7.903 -2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 134 58.921 -7.365 -2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 134 57.773 -6.363 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 134 55.185 -8.654 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 134 56.211 -9.640 -4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 134 55.810 -7.965 -3.637 1.00 0.00 H new ATOM 721 N GLU A 135 61.550 -8.557 -4.023 1.00 0.00 N ATOM 722 CA GLU A 135 62.784 -8.682 -3.195 1.00 0.00 C ATOM 723 C GLU A 135 63.773 -7.574 -3.566 1.00 0.00 C ATOM 724 O GLU A 135 64.526 -7.094 -2.742 1.00 0.00 O ATOM 725 CB GLU A 135 63.359 -10.053 -3.553 1.00 0.00 C ATOM 726 CG GLU A 135 63.923 -10.714 -2.295 1.00 0.00 C ATOM 727 CD GLU A 135 65.430 -10.458 -2.213 1.00 0.00 C ATOM 728 OE1 GLU A 135 66.038 -10.275 -3.255 1.00 0.00 O ATOM 729 OE2 GLU A 135 65.949 -10.450 -1.109 1.00 0.00 O ATOM 0 H GLU A 135 61.304 -9.388 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 135 62.583 -8.590 -2.128 1.00 0.00 H new ATOM 0 HB2 GLU A 135 62.583 -10.682 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 135 64.143 -9.946 -4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 135 63.427 -10.316 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 135 63.726 -11.786 -2.316 1.00 0.00 H new ATOM 736 N ASP A 136 63.777 -7.171 -4.806 1.00 0.00 N ATOM 737 CA ASP A 136 64.714 -6.100 -5.250 1.00 0.00 C ATOM 738 C ASP A 136 64.643 -4.892 -4.310 1.00 0.00 C ATOM 739 O ASP A 136 65.614 -4.532 -3.674 1.00 0.00 O ATOM 740 CB ASP A 136 64.236 -5.719 -6.653 1.00 0.00 C ATOM 741 CG ASP A 136 65.023 -4.504 -7.148 1.00 0.00 C ATOM 742 OD1 ASP A 136 66.169 -4.363 -6.755 1.00 0.00 O ATOM 743 OD2 ASP A 136 64.465 -3.735 -7.914 1.00 0.00 O ATOM 0 H ASP A 136 63.168 -7.540 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 136 65.751 -6.435 -5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 136 64.374 -6.557 -7.336 1.00 0.00 H new ATOM 0 HB3 ASP A 136 63.170 -5.493 -6.637 1.00 0.00 H new ATOM 748 N LEU A 137 63.505 -4.257 -4.222 1.00 0.00 N ATOM 749 CA LEU A 137 63.382 -3.068 -3.329 1.00 0.00 C ATOM 750 C LEU A 137 63.759 -3.432 -1.890 1.00 0.00 C ATOM 751 O LEU A 137 64.211 -2.597 -1.131 1.00 0.00 O ATOM 752 CB LEU A 137 61.914 -2.646 -3.424 1.00 0.00 C ATOM 753 CG LEU A 137 61.050 -3.561 -2.560 1.00 0.00 C ATOM 754 CD1 LEU A 137 61.094 -3.069 -1.116 1.00 0.00 C ATOM 755 CD2 LEU A 137 59.607 -3.526 -3.067 1.00 0.00 C ATOM 0 H LEU A 137 62.657 -4.509 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 137 64.052 -2.261 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 137 61.803 -1.612 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 137 61.581 -2.690 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 137 61.427 -4.582 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 137 60.479 -3.717 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 137 62.123 -3.088 -0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 137 60.712 -2.049 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 137 58.989 -4.179 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 137 59.226 -2.506 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 137 59.576 -3.868 -4.102 1.00 0.00 H new ATOM 767 N MET A 138 63.579 -4.665 -1.504 1.00 0.00 N ATOM 768 CA MET A 138 63.930 -5.064 -0.112 1.00 0.00 C ATOM 769 C MET A 138 65.444 -4.982 0.091 1.00 0.00 C ATOM 770 O MET A 138 65.922 -4.446 1.071 1.00 0.00 O ATOM 771 CB MET A 138 63.447 -6.508 0.025 1.00 0.00 C ATOM 772 CG MET A 138 63.645 -6.976 1.468 1.00 0.00 C ATOM 773 SD MET A 138 62.052 -6.955 2.329 1.00 0.00 S ATOM 774 CE MET A 138 61.761 -5.173 2.223 1.00 0.00 C ATOM 0 H MET A 138 63.205 -5.411 -2.090 1.00 0.00 H new ATOM 0 HA MET A 138 63.472 -4.413 0.632 1.00 0.00 H new ATOM 0 HB2 MET A 138 62.395 -6.579 -0.251 1.00 0.00 H new ATOM 0 HB3 MET A 138 63.999 -7.154 -0.657 1.00 0.00 H new ATOM 0 HG2 MET A 138 64.065 -7.982 1.482 1.00 0.00 H new ATOM 0 HG3 MET A 138 64.356 -6.326 1.979 1.00 0.00 H new ATOM 0 HE1 MET A 138 60.981 -4.889 2.929 1.00 0.00 H new ATOM 0 HE2 MET A 138 62.680 -4.639 2.464 1.00 0.00 H new ATOM 0 HE3 MET A 138 61.446 -4.915 1.212 1.00 0.00 H new ATOM 784 N LYS A 139 66.201 -5.511 -0.828 1.00 0.00 N ATOM 785 CA LYS A 139 67.683 -5.464 -0.689 1.00 0.00 C ATOM 786 C LYS A 139 68.182 -4.021 -0.807 1.00 0.00 C ATOM 787 O LYS A 139 68.984 -3.564 -0.017 1.00 0.00 O ATOM 788 CB LYS A 139 68.215 -6.314 -1.843 1.00 0.00 C ATOM 789 CG LYS A 139 68.743 -7.642 -1.299 1.00 0.00 C ATOM 790 CD LYS A 139 70.197 -7.469 -0.855 1.00 0.00 C ATOM 791 CE LYS A 139 71.053 -8.581 -1.467 1.00 0.00 C ATOM 792 NZ LYS A 139 71.844 -9.126 -0.330 1.00 0.00 N ATOM 0 H LYS A 139 65.858 -5.974 -1.670 1.00 0.00 H new ATOM 0 HA LYS A 139 68.019 -5.835 0.279 1.00 0.00 H new ATOM 0 HB2 LYS A 139 67.423 -6.496 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 139 69.010 -5.781 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 139 68.132 -7.972 -0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 139 68.675 -8.414 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 139 70.570 -6.494 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 139 70.263 -7.502 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 139 70.432 -9.353 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 139 71.704 -8.193 -2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 72.457 -9.894 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 72.430 -8.371 0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 71.198 -9.494 0.397 1.00 0.00 H new ATOM 806 N ASP A 140 67.715 -3.302 -1.789 1.00 0.00 N ATOM 807 CA ASP A 140 68.163 -1.890 -1.960 1.00 0.00 C ATOM 808 C ASP A 140 67.812 -1.069 -0.716 1.00 0.00 C ATOM 809 O ASP A 140 68.550 -0.193 -0.310 1.00 0.00 O ATOM 810 CB ASP A 140 67.391 -1.374 -3.175 1.00 0.00 C ATOM 811 CG ASP A 140 68.226 -0.318 -3.901 1.00 0.00 C ATOM 812 OD1 ASP A 140 69.052 0.304 -3.253 1.00 0.00 O ATOM 813 OD2 ASP A 140 68.025 -0.149 -5.092 1.00 0.00 O ATOM 0 H ASP A 140 67.042 -3.630 -2.482 1.00 0.00 H new ATOM 0 HA ASP A 140 69.242 -1.814 -2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 140 67.162 -2.198 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 140 66.439 -0.946 -2.859 1.00 0.00 H new ATOM 818 N SER A 141 66.690 -1.343 -0.111 1.00 0.00 N ATOM 819 CA SER A 141 66.289 -0.577 1.103 1.00 0.00 C ATOM 820 C SER A 141 66.906 -1.205 2.356 1.00 0.00 C ATOM 821 O SER A 141 67.640 -0.567 3.083 1.00 0.00 O ATOM 822 CB SER A 141 64.768 -0.688 1.150 1.00 0.00 C ATOM 823 OG SER A 141 64.221 0.526 1.648 1.00 0.00 O ATOM 0 H SER A 141 66.032 -2.065 -0.405 1.00 0.00 H new ATOM 0 HA SER A 141 66.627 0.459 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 141 64.377 -0.894 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 141 64.473 -1.521 1.788 1.00 0.00 H new ATOM 0 HG SER A 141 64.697 1.286 1.253 1.00 0.00 H new ATOM 829 N ASP A 142 66.607 -2.449 2.611 1.00 0.00 N ATOM 830 CA ASP A 142 67.168 -3.123 3.817 1.00 0.00 C ATOM 831 C ASP A 142 68.654 -2.787 3.980 1.00 0.00 C ATOM 832 O ASP A 142 69.514 -3.456 3.442 1.00 0.00 O ATOM 833 CB ASP A 142 66.983 -4.619 3.553 1.00 0.00 C ATOM 834 CG ASP A 142 67.370 -5.412 4.803 1.00 0.00 C ATOM 835 OD1 ASP A 142 67.532 -4.797 5.843 1.00 0.00 O ATOM 836 OD2 ASP A 142 67.497 -6.621 4.697 1.00 0.00 O ATOM 0 H ASP A 142 65.997 -3.029 2.035 1.00 0.00 H new ATOM 0 HA ASP A 142 66.673 -2.802 4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 142 65.947 -4.826 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 142 67.599 -4.928 2.708 1.00 0.00 H new ATOM 841 N LYS A 143 68.962 -1.758 4.723 1.00 0.00 N ATOM 842 CA LYS A 143 70.392 -1.387 4.925 1.00 0.00 C ATOM 843 C LYS A 143 70.930 -2.067 6.186 1.00 0.00 C ATOM 844 O LYS A 143 72.122 -2.219 6.362 1.00 0.00 O ATOM 845 CB LYS A 143 70.395 0.133 5.091 1.00 0.00 C ATOM 846 CG LYS A 143 71.561 0.730 4.302 1.00 0.00 C ATOM 847 CD LYS A 143 72.623 1.252 5.273 1.00 0.00 C ATOM 848 CE LYS A 143 73.998 0.716 4.867 1.00 0.00 C ATOM 849 NZ LYS A 143 74.930 1.215 5.916 1.00 0.00 N ATOM 0 H LYS A 143 68.286 -1.159 5.198 1.00 0.00 H new ATOM 0 HA LYS A 143 71.023 -1.701 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 143 69.452 0.550 4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 143 70.484 0.394 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 143 71.994 -0.025 3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 143 71.206 1.540 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 143 72.630 2.342 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 143 72.385 0.940 6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 143 74.000 -0.373 4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 143 74.286 1.076 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 75.895 0.888 5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 74.912 2.255 5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 74.635 0.851 6.844 1.00 0.00 H new ATOM 863 N ASN A 144 70.056 -2.481 7.062 1.00 0.00 N ATOM 864 CA ASN A 144 70.510 -3.157 8.310 1.00 0.00 C ATOM 865 C ASN A 144 70.259 -4.665 8.211 1.00 0.00 C ATOM 866 O ASN A 144 70.446 -5.400 9.159 1.00 0.00 O ATOM 867 CB ASN A 144 69.662 -2.543 9.423 1.00 0.00 C ATOM 868 CG ASN A 144 69.677 -1.019 9.294 1.00 0.00 C ATOM 869 OD1 ASN A 144 70.574 -0.364 9.786 1.00 0.00 O ATOM 870 ND2 ASN A 144 68.713 -0.422 8.648 1.00 0.00 N ATOM 0 H ASN A 144 69.045 -2.380 6.967 1.00 0.00 H new ATOM 0 HA ASN A 144 71.576 -3.023 8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 144 68.639 -2.914 9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 144 70.051 -2.840 10.397 1.00 0.00 H new ATOM 0 HD21 ASN A 144 68.713 0.594 8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 144 67.959 -0.971 8.235 1.00 0.00 H new ATOM 877 N ASN A 145 69.836 -5.126 7.066 1.00 0.00 N ATOM 878 CA ASN A 145 69.570 -6.583 6.896 1.00 0.00 C ATOM 879 C ASN A 145 68.425 -7.023 7.815 1.00 0.00 C ATOM 880 O ASN A 145 68.359 -8.161 8.235 1.00 0.00 O ATOM 881 CB ASN A 145 70.873 -7.273 7.297 1.00 0.00 C ATOM 882 CG ASN A 145 71.407 -8.083 6.114 1.00 0.00 C ATOM 883 OD1 ASN A 145 71.382 -7.625 4.989 1.00 0.00 O ATOM 884 ND2 ASN A 145 71.895 -9.276 6.321 1.00 0.00 N ATOM 0 H ASN A 145 69.663 -4.555 6.239 1.00 0.00 H new ATOM 0 HA ASN A 145 69.273 -6.832 5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 145 71.610 -6.531 7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 145 70.702 -7.927 8.152 1.00 0.00 H new ATOM 0 HD21 ASN A 145 72.255 -9.823 5.539 1.00 0.00 H new ATOM 0 HD22 ASN A 145 71.916 -9.661 7.265 1.00 0.00 H new ATOM 891 N ASP A 146 67.524 -6.133 8.126 1.00 0.00 N ATOM 892 CA ASP A 146 66.387 -6.505 9.016 1.00 0.00 C ATOM 893 C ASP A 146 65.231 -7.071 8.188 1.00 0.00 C ATOM 894 O ASP A 146 64.147 -7.295 8.689 1.00 0.00 O ATOM 895 CB ASP A 146 65.970 -5.201 9.697 1.00 0.00 C ATOM 896 CG ASP A 146 65.537 -4.185 8.638 1.00 0.00 C ATOM 897 OD1 ASP A 146 65.501 -4.549 7.476 1.00 0.00 O ATOM 898 OD2 ASP A 146 65.247 -3.060 9.011 1.00 0.00 O ATOM 0 H ASP A 146 67.525 -5.165 7.803 1.00 0.00 H new ATOM 0 HA ASP A 146 66.665 -7.271 9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 146 65.152 -5.388 10.393 1.00 0.00 H new ATOM 0 HB3 ASP A 146 66.800 -4.802 10.281 1.00 0.00 H new ATOM 903 N GLY A 147 65.453 -7.306 6.923 1.00 0.00 N ATOM 904 CA GLY A 147 64.366 -7.858 6.065 1.00 0.00 C ATOM 905 C GLY A 147 63.132 -6.958 6.161 1.00 0.00 C ATOM 906 O GLY A 147 62.018 -7.390 5.937 1.00 0.00 O ATOM 0 H GLY A 147 66.340 -7.140 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 147 64.702 -7.922 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 147 64.116 -8.870 6.383 1.00 0.00 H new ATOM 910 N ARG A 148 63.320 -5.709 6.492 1.00 0.00 N ATOM 911 CA ARG A 148 62.154 -4.784 6.603 1.00 0.00 C ATOM 912 C ARG A 148 62.566 -3.364 6.204 1.00 0.00 C ATOM 913 O ARG A 148 63.660 -2.919 6.493 1.00 0.00 O ATOM 914 CB ARG A 148 61.748 -4.833 8.076 1.00 0.00 C ATOM 915 CG ARG A 148 60.719 -5.945 8.285 1.00 0.00 C ATOM 916 CD ARG A 148 60.008 -5.740 9.624 1.00 0.00 C ATOM 917 NE ARG A 148 60.167 -7.034 10.346 1.00 0.00 N ATOM 918 CZ ARG A 148 59.715 -8.138 9.816 1.00 0.00 C ATOM 919 NH1 ARG A 148 58.454 -8.456 9.942 1.00 0.00 N ATOM 920 NH2 ARG A 148 60.523 -8.926 9.162 1.00 0.00 N ATOM 0 H ARG A 148 64.228 -5.289 6.690 1.00 0.00 H new ATOM 0 HA ARG A 148 61.334 -5.072 5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 148 62.624 -5.012 8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 148 61.330 -3.874 8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 148 59.993 -5.940 7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 148 61.211 -6.918 8.268 1.00 0.00 H new ATOM 0 HD2 ARG A 148 60.452 -4.918 10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 148 58.956 -5.495 9.479 1.00 0.00 H new ATOM 0 HE ARG A 148 60.629 -7.057 11.255 1.00 0.00 H new ATOM 0 HH11 ARG A 148 57.822 -7.841 10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 148 58.102 -9.319 9.527 1.00 0.00 H new ATOM 0 HH21 ARG A 148 61.508 -8.680 9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 148 60.170 -9.789 8.748 1.00 0.00 H new ATOM 934 N ILE A 149 61.698 -2.650 5.540 1.00 0.00 N ATOM 935 CA ILE A 149 62.041 -1.260 5.121 1.00 0.00 C ATOM 936 C ILE A 149 61.618 -0.258 6.200 1.00 0.00 C ATOM 937 O ILE A 149 60.461 -0.169 6.559 1.00 0.00 O ATOM 938 CB ILE A 149 61.251 -1.035 3.828 1.00 0.00 C ATOM 939 CG1 ILE A 149 61.990 -1.696 2.663 1.00 0.00 C ATOM 940 CG2 ILE A 149 61.118 0.465 3.553 1.00 0.00 C ATOM 941 CD1 ILE A 149 61.014 -1.944 1.511 1.00 0.00 C ATOM 0 H ILE A 149 60.767 -2.968 5.270 1.00 0.00 H new ATOM 0 HA ILE A 149 63.112 -1.123 4.973 1.00 0.00 H new ATOM 0 HB ILE A 149 60.258 -1.472 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 149 62.808 -1.058 2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 149 62.433 -2.638 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 149 60.555 0.618 2.632 1.00 0.00 H new ATOM 0 HG22 ILE A 149 60.594 0.942 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 149 62.110 0.905 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 149 61.542 -2.415 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 149 60.211 -2.599 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 149 60.593 -0.995 1.180 1.00 0.00 H new ATOM 953 N ASP A 150 62.547 0.501 6.714 1.00 0.00 N ATOM 954 CA ASP A 150 62.197 1.502 7.763 1.00 0.00 C ATOM 955 C ASP A 150 62.021 2.884 7.127 1.00 0.00 C ATOM 956 O ASP A 150 61.743 3.004 5.950 1.00 0.00 O ATOM 957 CB ASP A 150 63.383 1.498 8.728 1.00 0.00 C ATOM 958 CG ASP A 150 64.599 2.132 8.050 1.00 0.00 C ATOM 959 OD1 ASP A 150 64.538 2.348 6.851 1.00 0.00 O ATOM 960 OD2 ASP A 150 65.570 2.391 8.741 1.00 0.00 O ATOM 0 H ASP A 150 63.533 0.472 6.453 1.00 0.00 H new ATOM 0 HA ASP A 150 61.263 1.263 8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 150 63.130 2.050 9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 150 63.614 0.477 9.031 1.00 0.00 H new ATOM 965 N PHE A 151 62.182 3.928 7.892 1.00 0.00 N ATOM 966 CA PHE A 151 62.021 5.297 7.323 1.00 0.00 C ATOM 967 C PHE A 151 63.192 5.627 6.392 1.00 0.00 C ATOM 968 O PHE A 151 63.006 5.963 5.239 1.00 0.00 O ATOM 969 CB PHE A 151 62.021 6.235 8.532 1.00 0.00 C ATOM 970 CG PHE A 151 60.900 5.855 9.469 1.00 0.00 C ATOM 971 CD1 PHE A 151 59.598 5.703 8.977 1.00 0.00 C ATOM 972 CD2 PHE A 151 61.163 5.655 10.828 1.00 0.00 C ATOM 973 CE1 PHE A 151 58.559 5.353 9.848 1.00 0.00 C ATOM 974 CE2 PHE A 151 60.125 5.304 11.698 1.00 0.00 C ATOM 975 CZ PHE A 151 58.822 5.152 11.208 1.00 0.00 C ATOM 0 H PHE A 151 62.417 3.894 8.884 1.00 0.00 H new ATOM 0 HA PHE A 151 61.109 5.391 6.733 1.00 0.00 H new ATOM 0 HB2 PHE A 151 62.978 6.176 9.051 1.00 0.00 H new ATOM 0 HB3 PHE A 151 61.900 7.267 8.204 1.00 0.00 H new ATOM 0 HD1 PHE A 151 59.395 5.855 7.927 1.00 0.00 H new ATOM 0 HD2 PHE A 151 62.168 5.772 11.206 1.00 0.00 H new ATOM 0 HE1 PHE A 151 57.554 5.238 9.470 1.00 0.00 H new ATOM 0 HE2 PHE A 151 60.329 5.150 12.747 1.00 0.00 H new ATOM 0 HZ PHE A 151 58.021 4.880 11.879 1.00 0.00 H new ATOM 985 N ASP A 152 64.398 5.536 6.885 1.00 0.00 N ATOM 986 CA ASP A 152 65.582 5.848 6.030 1.00 0.00 C ATOM 987 C ASP A 152 65.619 4.928 4.807 1.00 0.00 C ATOM 988 O ASP A 152 65.579 5.377 3.678 1.00 0.00 O ATOM 989 CB ASP A 152 66.792 5.589 6.928 1.00 0.00 C ATOM 990 CG ASP A 152 67.448 6.920 7.294 1.00 0.00 C ATOM 991 OD1 ASP A 152 66.926 7.596 8.166 1.00 0.00 O ATOM 992 OD2 ASP A 152 68.462 7.244 6.697 1.00 0.00 O ATOM 0 H ASP A 152 64.615 5.259 7.842 1.00 0.00 H new ATOM 0 HA ASP A 152 65.558 6.870 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 152 66.482 5.063 7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 152 67.508 4.947 6.415 1.00 0.00 H new ATOM 997 N GLU A 153 65.700 3.643 5.022 1.00 0.00 N ATOM 998 CA GLU A 153 65.745 2.694 3.873 1.00 0.00 C ATOM 999 C GLU A 153 64.643 3.029 2.863 1.00 0.00 C ATOM 1000 O GLU A 153 64.832 2.929 1.667 1.00 0.00 O ATOM 1001 CB GLU A 153 65.507 1.316 4.491 1.00 0.00 C ATOM 1002 CG GLU A 153 66.638 0.991 5.468 1.00 0.00 C ATOM 1003 CD GLU A 153 66.138 -0.010 6.510 1.00 0.00 C ATOM 1004 OE1 GLU A 153 65.371 -0.885 6.143 1.00 0.00 O ATOM 1005 OE2 GLU A 153 66.530 0.115 7.658 1.00 0.00 O ATOM 0 H GLU A 153 65.737 3.209 5.944 1.00 0.00 H new ATOM 0 HA GLU A 153 66.691 2.742 3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 153 64.548 1.299 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 153 65.459 0.558 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 153 67.490 0.577 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 153 66.982 1.901 5.958 1.00 0.00 H new ATOM 1012 N PHE A 154 63.493 3.422 3.337 1.00 0.00 N ATOM 1013 CA PHE A 154 62.377 3.760 2.405 1.00 0.00 C ATOM 1014 C PHE A 154 62.781 4.912 1.479 1.00 0.00 C ATOM 1015 O PHE A 154 62.813 4.768 0.273 1.00 0.00 O ATOM 1016 CB PHE A 154 61.223 4.185 3.313 1.00 0.00 C ATOM 1017 CG PHE A 154 60.015 4.511 2.472 1.00 0.00 C ATOM 1018 CD1 PHE A 154 59.866 5.791 1.925 1.00 0.00 C ATOM 1019 CD2 PHE A 154 59.042 3.533 2.238 1.00 0.00 C ATOM 1020 CE1 PHE A 154 58.744 6.093 1.143 1.00 0.00 C ATOM 1021 CE2 PHE A 154 57.921 3.834 1.457 1.00 0.00 C ATOM 1022 CZ PHE A 154 57.771 5.114 0.909 1.00 0.00 C ATOM 0 H PHE A 154 63.276 3.524 4.329 1.00 0.00 H new ATOM 0 HA PHE A 154 62.109 2.921 1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 154 60.985 3.386 4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 154 61.513 5.054 3.905 1.00 0.00 H new ATOM 0 HD1 PHE A 154 60.617 6.546 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 154 59.156 2.546 2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 154 58.630 7.080 0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 154 57.171 3.079 1.277 1.00 0.00 H new ATOM 0 HZ PHE A 154 56.905 5.346 0.306 1.00 0.00 H new ATOM 1032 N LEU A 155 63.083 6.054 2.033 1.00 0.00 N ATOM 1033 CA LEU A 155 63.480 7.216 1.185 1.00 0.00 C ATOM 1034 C LEU A 155 64.415 6.763 0.062 1.00 0.00 C ATOM 1035 O LEU A 155 64.330 7.232 -1.056 1.00 0.00 O ATOM 1036 CB LEU A 155 64.207 8.168 2.134 1.00 0.00 C ATOM 1037 CG LEU A 155 63.221 8.718 3.164 1.00 0.00 C ATOM 1038 CD1 LEU A 155 63.985 9.473 4.252 1.00 0.00 C ATOM 1039 CD2 LEU A 155 62.243 9.672 2.474 1.00 0.00 C ATOM 0 H LEU A 155 63.072 6.234 3.037 1.00 0.00 H new ATOM 0 HA LEU A 155 62.621 7.689 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 155 65.020 7.645 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 155 64.655 8.987 1.571 1.00 0.00 H new ATOM 0 HG LEU A 155 62.670 7.893 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 155 63.281 9.865 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 155 64.682 8.795 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 155 64.537 10.298 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 155 61.539 10.065 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 155 62.796 10.496 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 155 61.697 9.135 1.699 1.00 0.00 H new ATOM 1051 N LYS A 156 65.307 5.858 0.349 1.00 0.00 N ATOM 1052 CA LYS A 156 66.250 5.381 -0.704 1.00 0.00 C ATOM 1053 C LYS A 156 65.475 4.796 -1.888 1.00 0.00 C ATOM 1054 O LYS A 156 65.770 5.080 -3.033 1.00 0.00 O ATOM 1055 CB LYS A 156 67.088 4.300 -0.025 1.00 0.00 C ATOM 1056 CG LYS A 156 67.597 4.819 1.321 1.00 0.00 C ATOM 1057 CD LYS A 156 68.902 4.107 1.685 1.00 0.00 C ATOM 1058 CE LYS A 156 69.834 5.085 2.403 1.00 0.00 C ATOM 1059 NZ LYS A 156 70.794 5.537 1.359 1.00 0.00 N ATOM 0 H LYS A 156 65.425 5.427 1.266 1.00 0.00 H new ATOM 0 HA LYS A 156 66.867 6.188 -1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 156 66.490 3.401 0.123 1.00 0.00 H new ATOM 0 HB3 LYS A 156 67.928 4.023 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 156 67.760 5.895 1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 156 66.849 4.647 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 156 68.694 3.249 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 156 69.383 3.724 0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 156 69.279 5.926 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 156 70.351 4.602 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 71.467 6.212 1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 71.312 4.716 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 70.274 5.999 0.586 1.00 0.00 H new ATOM 1073 N MET A 157 64.489 3.982 -1.626 1.00 0.00 N ATOM 1074 CA MET A 157 63.704 3.385 -2.743 1.00 0.00 C ATOM 1075 C MET A 157 62.968 4.489 -3.509 1.00 0.00 C ATOM 1076 O MET A 157 63.043 4.580 -4.718 1.00 0.00 O ATOM 1077 CB MET A 157 62.733 2.396 -2.062 1.00 0.00 C ATOM 1078 CG MET A 157 61.330 3.004 -1.893 1.00 0.00 C ATOM 1079 SD MET A 157 60.144 1.690 -1.509 1.00 0.00 S ATOM 1080 CE MET A 157 61.179 0.761 -0.354 1.00 0.00 C ATOM 0 H MET A 157 64.194 3.705 -0.690 1.00 0.00 H new ATOM 0 HA MET A 157 64.324 2.873 -3.479 1.00 0.00 H new ATOM 0 HB2 MET A 157 62.666 1.484 -2.656 1.00 0.00 H new ATOM 0 HB3 MET A 157 63.127 2.112 -1.086 1.00 0.00 H new ATOM 0 HG2 MET A 157 61.338 3.746 -1.095 1.00 0.00 H new ATOM 0 HG3 MET A 157 61.034 3.521 -2.806 1.00 0.00 H new ATOM 0 HE1 MET A 157 60.546 0.166 0.304 1.00 0.00 H new ATOM 0 HE2 MET A 157 61.845 0.102 -0.911 1.00 0.00 H new ATOM 0 HE3 MET A 157 61.771 1.455 0.243 1.00 0.00 H new ATOM 1090 N MET A 158 62.252 5.323 -2.810 1.00 0.00 N ATOM 1091 CA MET A 158 61.504 6.419 -3.490 1.00 0.00 C ATOM 1092 C MET A 158 62.305 7.725 -3.447 1.00 0.00 C ATOM 1093 O MET A 158 61.799 8.760 -3.058 1.00 0.00 O ATOM 1094 CB MET A 158 60.206 6.560 -2.696 1.00 0.00 C ATOM 1095 CG MET A 158 59.017 6.233 -3.602 1.00 0.00 C ATOM 1096 SD MET A 158 59.063 4.478 -4.045 1.00 0.00 S ATOM 1097 CE MET A 158 58.482 4.661 -5.749 1.00 0.00 C ATOM 0 H MET A 158 62.151 5.294 -1.795 1.00 0.00 H new ATOM 0 HA MET A 158 61.321 6.200 -4.542 1.00 0.00 H new ATOM 0 HB2 MET A 158 60.218 5.889 -1.837 1.00 0.00 H new ATOM 0 HB3 MET A 158 60.113 7.574 -2.307 1.00 0.00 H new ATOM 0 HG2 MET A 158 58.082 6.466 -3.092 1.00 0.00 H new ATOM 0 HG3 MET A 158 59.051 6.847 -4.502 1.00 0.00 H new ATOM 0 HE1 MET A 158 58.433 3.681 -6.224 1.00 0.00 H new ATOM 0 HE2 MET A 158 57.491 5.114 -5.749 1.00 0.00 H new ATOM 0 HE3 MET A 158 59.172 5.298 -6.302 1.00 0.00 H new