USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 812 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 35 THR OG1 : rot 180:sc= 0.184 USER MOD Set 1.2: A 38 SER OG : rot -150:sc=-0.00311 USER MOD Single : A 16 ASN : amide:sc= 0.238 K(o=0.24,f=-3.5!) USER MOD Single : A 17 MET CE :methyl 175:sc= 0 (180deg=-0.0611) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 13:sc= 0.575 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00764 K(o=-0.0076,f=-1.4) USER MOD Single : A 50 MET CE :methyl -156:sc= -2.12! (180deg=-2.69!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.394 USER MOD Single : A 74 SER OG : rot 180:sc= -0.221 USER MOD Single : A 77 LYS NZ :NH3+ -110:sc= -1.78! (180deg=-4.05!) USER MOD Single : A 82 CYS SG : rot 180:sc= -1.04 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 67:sc= 1.19 USER MOD Single : A 103 THR OG1 : rot -77:sc= 1.01 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 13 3.318 1.454 13.112 1.00 0.00 N ATOM 161 CA LEU A 13 3.608 0.388 12.168 1.00 0.00 C ATOM 162 C LEU A 13 5.120 0.305 11.948 1.00 0.00 C ATOM 163 O LEU A 13 5.738 -0.717 12.242 1.00 0.00 O ATOM 164 CB LEU A 13 2.809 0.583 10.878 1.00 0.00 C ATOM 165 CG LEU A 13 1.297 0.377 10.989 1.00 0.00 C ATOM 166 CD1 LEU A 13 0.590 0.797 9.698 1.00 0.00 C ATOM 167 CD2 LEU A 13 0.967 -1.066 11.379 1.00 0.00 C ATOM 0 HA LEU A 13 3.290 -0.574 12.570 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.992 1.592 10.509 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.196 -0.106 10.127 1.00 0.00 H new ATOM 0 HG LEU A 13 0.923 1.020 11.786 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.484 0.640 9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.785 1.851 9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.964 0.199 8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.114 -1.185 11.451 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.357 -1.746 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.422 -1.296 12.342 1.00 0.00 H new ATOM 179 N PHE A 14 5.672 1.394 11.433 1.00 0.00 N ATOM 180 CA PHE A 14 7.099 1.457 11.170 1.00 0.00 C ATOM 181 C PHE A 14 7.877 1.797 12.443 1.00 0.00 C ATOM 182 O PHE A 14 8.669 2.738 12.458 1.00 0.00 O ATOM 183 CB PHE A 14 7.316 2.568 10.142 1.00 0.00 C ATOM 184 CG PHE A 14 6.423 2.455 8.905 1.00 0.00 C ATOM 185 CD1 PHE A 14 6.465 1.334 8.136 1.00 0.00 C ATOM 186 CD2 PHE A 14 5.586 3.475 8.575 1.00 0.00 C ATOM 187 CE1 PHE A 14 5.636 1.229 6.988 1.00 0.00 C ATOM 188 CE2 PHE A 14 4.756 3.370 7.427 1.00 0.00 C ATOM 189 CZ PHE A 14 4.799 2.249 6.658 1.00 0.00 C ATOM 0 H PHE A 14 5.156 2.240 11.191 1.00 0.00 H new ATOM 0 HA PHE A 14 7.453 0.492 10.807 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.137 3.531 10.620 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.359 2.558 9.826 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.129 0.524 8.399 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.552 4.365 9.186 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.670 0.339 6.377 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.091 4.180 7.165 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.168 2.169 5.785 1.00 0.00 H new ATOM 199 N GLU A 15 7.623 1.013 13.481 1.00 0.00 N ATOM 200 CA GLU A 15 8.289 1.220 14.755 1.00 0.00 C ATOM 201 C GLU A 15 9.683 0.589 14.735 1.00 0.00 C ATOM 202 O GLU A 15 10.673 1.252 15.037 1.00 0.00 O ATOM 203 CB GLU A 15 7.452 0.663 15.908 1.00 0.00 C ATOM 204 CG GLU A 15 6.688 1.780 16.621 1.00 0.00 C ATOM 205 CD GLU A 15 7.121 1.894 18.084 1.00 0.00 C ATOM 206 OE1 GLU A 15 8.314 1.628 18.345 1.00 0.00 O ATOM 207 OE2 GLU A 15 6.249 2.245 18.908 1.00 0.00 O ATOM 0 H GLU A 15 6.965 0.234 13.465 1.00 0.00 H new ATOM 0 HA GLU A 15 8.400 2.293 14.914 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.749 -0.077 15.527 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.101 0.150 16.618 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.863 2.728 16.111 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.617 1.583 16.569 1.00 0.00 H new ATOM 214 N ASN A 16 9.715 -0.686 14.374 1.00 0.00 N ATOM 215 CA ASN A 16 10.971 -1.414 14.310 1.00 0.00 C ATOM 216 C ASN A 16 11.614 -1.193 12.939 1.00 0.00 C ATOM 217 O ASN A 16 12.805 -1.442 12.761 1.00 0.00 O ATOM 218 CB ASN A 16 10.746 -2.916 14.490 1.00 0.00 C ATOM 219 CG ASN A 16 9.928 -3.491 13.332 1.00 0.00 C ATOM 220 OD1 ASN A 16 8.862 -3.006 12.990 1.00 0.00 O ATOM 221 ND2 ASN A 16 10.484 -4.550 12.750 1.00 0.00 N ATOM 0 H ASN A 16 8.892 -1.233 14.123 1.00 0.00 H new ATOM 0 HA ASN A 16 11.615 -1.047 15.109 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.707 -3.427 14.550 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.229 -3.099 15.432 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.015 -5.007 11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.379 -4.905 13.086 1.00 0.00 H new ATOM 228 N MET A 17 10.797 -0.728 12.006 1.00 0.00 N ATOM 229 CA MET A 17 11.271 -0.471 10.657 1.00 0.00 C ATOM 230 C MET A 17 12.505 0.432 10.672 1.00 0.00 C ATOM 231 O MET A 17 12.690 1.222 11.597 1.00 0.00 O ATOM 232 CB MET A 17 10.160 0.197 9.843 1.00 0.00 C ATOM 233 CG MET A 17 9.458 -0.817 8.938 1.00 0.00 C ATOM 234 SD MET A 17 8.309 -1.795 9.893 1.00 0.00 S ATOM 235 CE MET A 17 7.631 -2.825 8.602 1.00 0.00 C ATOM 0 H MET A 17 9.809 -0.522 12.158 1.00 0.00 H new ATOM 0 HA MET A 17 11.545 -1.423 10.202 1.00 0.00 H new ATOM 0 HB2 MET A 17 9.434 0.652 10.517 1.00 0.00 H new ATOM 0 HB3 MET A 17 10.580 1.000 9.238 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.930 -0.298 8.138 1.00 0.00 H new ATOM 0 HG3 MET A 17 10.195 -1.466 8.465 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.957 -3.561 9.040 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.081 -2.206 7.893 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.441 -3.338 8.083 1.00 0.00 H new ATOM 245 N ASP A 18 13.320 0.286 9.637 1.00 0.00 N ATOM 246 CA ASP A 18 14.532 1.078 9.520 1.00 0.00 C ATOM 247 C ASP A 18 14.371 2.083 8.377 1.00 0.00 C ATOM 248 O ASP A 18 13.637 1.830 7.423 1.00 0.00 O ATOM 249 CB ASP A 18 15.740 0.194 9.206 1.00 0.00 C ATOM 250 CG ASP A 18 16.793 0.119 10.314 1.00 0.00 C ATOM 251 OD1 ASP A 18 17.145 1.200 10.835 1.00 0.00 O ATOM 252 OD2 ASP A 18 17.221 -1.016 10.614 1.00 0.00 O ATOM 0 H ASP A 18 13.164 -0.370 8.871 1.00 0.00 H new ATOM 0 HA ASP A 18 14.695 1.587 10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 18 15.387 -0.815 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.216 0.564 8.298 1.00 0.00 H new ATOM 257 N GLU A 19 15.069 3.201 8.512 1.00 0.00 N ATOM 258 CA GLU A 19 15.012 4.244 7.503 1.00 0.00 C ATOM 259 C GLU A 19 15.070 3.632 6.102 1.00 0.00 C ATOM 260 O GLU A 19 14.244 3.950 5.247 1.00 0.00 O ATOM 261 CB GLU A 19 16.138 5.262 7.703 1.00 0.00 C ATOM 262 CG GLU A 19 15.897 6.107 8.955 1.00 0.00 C ATOM 263 CD GLU A 19 15.962 7.601 8.629 1.00 0.00 C ATOM 264 OE1 GLU A 19 15.318 7.993 7.633 1.00 0.00 O ATOM 265 OE2 GLU A 19 16.655 8.316 9.384 1.00 0.00 O ATOM 0 H GLU A 19 15.677 3.407 9.305 1.00 0.00 H new ATOM 0 HA GLU A 19 14.065 4.773 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.092 4.742 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.206 5.911 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.922 5.866 9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.643 5.863 9.712 1.00 0.00 H new ATOM 272 N ARG A 20 16.052 2.764 5.910 1.00 0.00 N ATOM 273 CA ARG A 20 16.228 2.103 4.628 1.00 0.00 C ATOM 274 C ARG A 20 14.939 1.388 4.218 1.00 0.00 C ATOM 275 O ARG A 20 14.593 1.350 3.039 1.00 0.00 O ATOM 276 CB ARG A 20 17.371 1.088 4.683 1.00 0.00 C ATOM 277 CG ARG A 20 18.689 1.767 5.062 1.00 0.00 C ATOM 278 CD ARG A 20 19.177 2.683 3.937 1.00 0.00 C ATOM 279 NE ARG A 20 20.624 2.951 4.095 1.00 0.00 N ATOM 280 CZ ARG A 20 21.300 3.864 3.385 1.00 0.00 C ATOM 281 NH1 ARG A 20 20.665 4.602 2.464 1.00 0.00 N ATOM 282 NH2 ARG A 20 22.612 4.039 3.595 1.00 0.00 N ATOM 0 H ARG A 20 16.735 2.503 6.621 1.00 0.00 H new ATOM 0 HA ARG A 20 16.473 2.868 3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.137 0.310 5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.475 0.599 3.714 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.554 2.347 5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.445 1.010 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.988 2.217 2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.621 3.620 3.953 1.00 0.00 H new ATOM 0 HE ARG A 20 21.138 2.407 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.667 4.469 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.180 5.297 1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.096 3.477 4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.127 4.734 3.054 1.00 0.00 H new ATOM 296 N LEU A 21 14.263 0.837 5.216 1.00 0.00 N ATOM 297 CA LEU A 21 13.019 0.125 4.975 1.00 0.00 C ATOM 298 C LEU A 21 11.927 1.128 4.598 1.00 0.00 C ATOM 299 O LEU A 21 11.061 0.829 3.778 1.00 0.00 O ATOM 300 CB LEU A 21 12.662 -0.752 6.176 1.00 0.00 C ATOM 301 CG LEU A 21 11.934 -2.060 5.860 1.00 0.00 C ATOM 302 CD1 LEU A 21 12.633 -2.815 4.727 1.00 0.00 C ATOM 303 CD2 LEU A 21 11.783 -2.921 7.115 1.00 0.00 C ATOM 0 H LEU A 21 14.553 0.869 6.193 1.00 0.00 H new ATOM 0 HA LEU A 21 13.128 -0.559 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.581 -0.991 6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.040 -0.168 6.855 1.00 0.00 H new ATOM 0 HG LEU A 21 10.929 -1.817 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.096 -3.741 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 21 12.645 -2.196 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 21 13.657 -3.047 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.262 -3.845 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.769 -3.158 7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.210 -2.375 7.864 1.00 0.00 H new ATOM 315 N LEU A 22 12.003 2.297 5.217 1.00 0.00 N ATOM 316 CA LEU A 22 11.032 3.346 4.957 1.00 0.00 C ATOM 317 C LEU A 22 11.103 3.748 3.482 1.00 0.00 C ATOM 318 O LEU A 22 10.109 3.662 2.763 1.00 0.00 O ATOM 319 CB LEU A 22 11.234 4.515 5.923 1.00 0.00 C ATOM 320 CG LEU A 22 10.458 4.439 7.240 1.00 0.00 C ATOM 321 CD1 LEU A 22 8.950 4.522 6.993 1.00 0.00 C ATOM 322 CD2 LEU A 22 10.841 3.186 8.030 1.00 0.00 C ATOM 0 H LEU A 22 12.722 2.541 5.898 1.00 0.00 H new ATOM 0 HA LEU A 22 10.021 2.982 5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.297 4.590 6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.953 5.436 5.412 1.00 0.00 H new ATOM 0 HG LEU A 22 10.733 5.300 7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.422 4.466 7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.713 5.466 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.639 3.694 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.276 3.156 8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.613 2.299 7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.908 3.209 8.254 1.00 0.00 H new ATOM 334 N ASP A 23 12.288 4.178 3.076 1.00 0.00 N ATOM 335 CA ASP A 23 12.502 4.593 1.700 1.00 0.00 C ATOM 336 C ASP A 23 12.076 3.464 0.759 1.00 0.00 C ATOM 337 O ASP A 23 11.268 3.676 -0.144 1.00 0.00 O ATOM 338 CB ASP A 23 13.980 4.893 1.439 1.00 0.00 C ATOM 339 CG ASP A 23 14.256 5.751 0.202 1.00 0.00 C ATOM 340 OD1 ASP A 23 13.612 5.477 -0.834 1.00 0.00 O ATOM 341 OD2 ASP A 23 15.106 6.660 0.321 1.00 0.00 O ATOM 0 H ASP A 23 13.110 4.248 3.676 1.00 0.00 H new ATOM 0 HA ASP A 23 11.914 5.494 1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.393 5.398 2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.514 3.949 1.334 1.00 0.00 H new ATOM 346 N ALA A 24 12.638 2.289 1.003 1.00 0.00 N ATOM 347 CA ALA A 24 12.325 1.127 0.189 1.00 0.00 C ATOM 348 C ALA A 24 10.807 0.984 0.073 1.00 0.00 C ATOM 349 O ALA A 24 10.242 1.172 -1.003 1.00 0.00 O ATOM 350 CB ALA A 24 12.984 -0.113 0.796 1.00 0.00 C ATOM 0 H ALA A 24 13.308 2.117 1.753 1.00 0.00 H new ATOM 0 HA ALA A 24 12.721 1.246 -0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.750 -0.985 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.064 0.028 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 24 12.608 -0.266 1.808 1.00 0.00 H new ATOM 356 N ILE A 25 10.189 0.651 1.197 1.00 0.00 N ATOM 357 CA ILE A 25 8.746 0.480 1.235 1.00 0.00 C ATOM 358 C ILE A 25 8.076 1.684 0.570 1.00 0.00 C ATOM 359 O ILE A 25 7.000 1.557 -0.012 1.00 0.00 O ATOM 360 CB ILE A 25 8.274 0.228 2.669 1.00 0.00 C ATOM 361 CG1 ILE A 25 8.754 -1.135 3.173 1.00 0.00 C ATOM 362 CG2 ILE A 25 6.756 0.379 2.781 1.00 0.00 C ATOM 363 CD1 ILE A 25 8.637 -1.228 4.695 1.00 0.00 C ATOM 0 H ILE A 25 10.661 0.495 2.088 1.00 0.00 H new ATOM 0 HA ILE A 25 8.452 -0.403 0.667 1.00 0.00 H new ATOM 0 HB ILE A 25 8.721 0.985 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.164 -1.926 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.790 -1.293 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.447 0.195 3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.469 1.390 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.269 -0.340 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.984 -2.206 5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.247 -0.451 5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.596 -1.094 4.989 1.00 0.00 H new ATOM 375 N CYS A 26 8.741 2.825 0.679 1.00 0.00 N ATOM 376 CA CYS A 26 8.223 4.051 0.095 1.00 0.00 C ATOM 377 C CYS A 26 8.296 3.926 -1.428 1.00 0.00 C ATOM 378 O CYS A 26 7.277 4.013 -2.111 1.00 0.00 O ATOM 379 CB CYS A 26 8.977 5.282 0.603 1.00 0.00 C ATOM 380 SG CYS A 26 7.988 6.136 1.884 1.00 0.00 S ATOM 0 H CYS A 26 9.633 2.926 1.163 1.00 0.00 H new ATOM 0 HA CYS A 26 7.185 4.191 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 26 9.941 4.984 1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.180 5.962 -0.225 1.00 0.00 H new ATOM 0 HG CYS A 26 8.638 7.178 2.311 1.00 0.00 H new ATOM 386 N GLU A 27 9.511 3.723 -1.916 1.00 0.00 N ATOM 387 CA GLU A 27 9.730 3.585 -3.346 1.00 0.00 C ATOM 388 C GLU A 27 8.691 2.641 -3.953 1.00 0.00 C ATOM 389 O GLU A 27 8.318 2.788 -5.116 1.00 0.00 O ATOM 390 CB GLU A 27 11.151 3.097 -3.638 1.00 0.00 C ATOM 391 CG GLU A 27 12.172 4.211 -3.400 1.00 0.00 C ATOM 392 CD GLU A 27 13.602 3.671 -3.480 1.00 0.00 C ATOM 393 OE1 GLU A 27 13.957 2.872 -2.587 1.00 0.00 O ATOM 394 OE2 GLU A 27 14.306 4.068 -4.433 1.00 0.00 O ATOM 0 H GLU A 27 10.354 3.651 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 27 9.615 4.566 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.384 2.243 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.216 2.753 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.035 4.999 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.003 4.661 -2.421 1.00 0.00 H new ATOM 401 N ARG A 28 8.252 1.692 -3.139 1.00 0.00 N ATOM 402 CA ARG A 28 7.263 0.724 -3.582 1.00 0.00 C ATOM 403 C ARG A 28 5.927 1.417 -3.856 1.00 0.00 C ATOM 404 O ARG A 28 5.256 1.112 -4.840 1.00 0.00 O ATOM 405 CB ARG A 28 7.056 -0.371 -2.533 1.00 0.00 C ATOM 406 CG ARG A 28 8.387 -1.017 -2.144 1.00 0.00 C ATOM 407 CD ARG A 28 8.686 -2.230 -3.028 1.00 0.00 C ATOM 408 NE ARG A 28 9.411 -1.802 -4.245 1.00 0.00 N ATOM 409 CZ ARG A 28 10.646 -1.282 -4.240 1.00 0.00 C ATOM 410 NH1 ARG A 28 11.301 -1.121 -3.082 1.00 0.00 N ATOM 411 NH2 ARG A 28 11.226 -0.922 -5.393 1.00 0.00 N ATOM 0 H ARG A 28 8.563 1.573 -2.175 1.00 0.00 H new ATOM 0 HA ARG A 28 7.634 0.267 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.581 0.053 -1.648 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.380 -1.131 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.191 -0.287 -2.238 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.355 -1.323 -1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.283 -2.955 -2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.756 -2.727 -3.304 1.00 0.00 H new ATOM 0 HE ARG A 28 8.941 -1.910 -5.144 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.859 -1.394 -2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.241 -0.725 -3.079 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.727 -1.044 -6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.166 -0.526 -5.389 1.00 0.00 H new ATOM 425 N LEU A 29 5.582 2.338 -2.968 1.00 0.00 N ATOM 426 CA LEU A 29 4.338 3.077 -3.102 1.00 0.00 C ATOM 427 C LEU A 29 4.105 3.412 -4.577 1.00 0.00 C ATOM 428 O LEU A 29 4.835 4.214 -5.158 1.00 0.00 O ATOM 429 CB LEU A 29 4.342 4.303 -2.187 1.00 0.00 C ATOM 430 CG LEU A 29 4.575 4.029 -0.700 1.00 0.00 C ATOM 431 CD1 LEU A 29 5.057 5.290 0.021 1.00 0.00 C ATOM 432 CD2 LEU A 29 3.323 3.439 -0.048 1.00 0.00 C ATOM 0 H LEU A 29 6.142 2.589 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 29 3.496 2.467 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.114 4.989 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.387 4.816 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 29 5.366 3.284 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.215 5.068 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.994 5.627 -0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.306 6.074 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.516 3.254 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.495 4.141 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.064 2.501 -0.539 1.00 0.00 H new ATOM 444 N LYS A 30 3.086 2.780 -5.140 1.00 0.00 N ATOM 445 CA LYS A 30 2.748 3.000 -6.536 1.00 0.00 C ATOM 446 C LYS A 30 1.604 4.012 -6.626 1.00 0.00 C ATOM 447 O LYS A 30 0.787 4.113 -5.711 1.00 0.00 O ATOM 448 CB LYS A 30 2.449 1.671 -7.231 1.00 0.00 C ATOM 449 CG LYS A 30 3.684 1.146 -7.966 1.00 0.00 C ATOM 450 CD LYS A 30 3.361 0.837 -9.430 1.00 0.00 C ATOM 451 CE LYS A 30 3.989 -0.490 -9.861 1.00 0.00 C ATOM 452 NZ LYS A 30 2.978 -1.570 -9.849 1.00 0.00 N ATOM 0 H LYS A 30 2.483 2.115 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 30 3.596 3.428 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.121 0.937 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.630 1.802 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.484 1.885 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.050 0.245 -7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.280 0.794 -9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.730 1.642 -10.065 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.412 -0.391 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.810 -0.745 -9.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.421 -2.463 -10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.593 -1.675 -8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.208 -1.332 -10.506 1.00 0.00 H new ATOM 466 N PRO A 31 1.581 4.755 -7.765 1.00 0.00 N ATOM 467 CA PRO A 31 0.551 5.755 -7.985 1.00 0.00 C ATOM 468 C PRO A 31 -0.783 5.098 -8.346 1.00 0.00 C ATOM 469 O PRO A 31 -0.936 4.552 -9.438 1.00 0.00 O ATOM 470 CB PRO A 31 1.094 6.642 -9.094 1.00 0.00 C ATOM 471 CG PRO A 31 2.193 5.838 -9.770 1.00 0.00 C ATOM 472 CD PRO A 31 2.532 4.662 -8.869 1.00 0.00 C ATOM 0 HA PRO A 31 0.337 6.342 -7.092 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.309 6.905 -9.804 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.485 7.576 -8.691 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.863 5.487 -10.748 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.074 6.459 -9.935 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.432 3.715 -9.399 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.560 4.720 -8.512 1.00 0.00 H new ATOM 480 N CYS A 32 -1.716 5.172 -7.407 1.00 0.00 N ATOM 481 CA CYS A 32 -3.032 4.591 -7.612 1.00 0.00 C ATOM 482 C CYS A 32 -4.062 5.474 -6.905 1.00 0.00 C ATOM 483 O CYS A 32 -3.705 6.298 -6.064 1.00 0.00 O ATOM 484 CB CYS A 32 -3.092 3.141 -7.126 1.00 0.00 C ATOM 485 SG CYS A 32 -2.106 2.068 -8.233 1.00 0.00 S ATOM 0 H CYS A 32 -1.586 5.626 -6.503 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.256 4.557 -8.678 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.711 3.074 -6.107 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.127 2.799 -7.102 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.374 2.806 -9.014 1.00 0.00 H new ATOM 491 N LEU A 33 -5.319 5.271 -7.271 1.00 0.00 N ATOM 492 CA LEU A 33 -6.403 6.038 -6.682 1.00 0.00 C ATOM 493 C LEU A 33 -7.623 5.133 -6.503 1.00 0.00 C ATOM 494 O LEU A 33 -7.689 4.051 -7.084 1.00 0.00 O ATOM 495 CB LEU A 33 -6.684 7.292 -7.512 1.00 0.00 C ATOM 496 CG LEU A 33 -7.207 8.505 -6.739 1.00 0.00 C ATOM 497 CD1 LEU A 33 -6.134 9.590 -6.630 1.00 0.00 C ATOM 498 CD2 LEU A 33 -8.499 9.037 -7.362 1.00 0.00 C ATOM 0 H LEU A 33 -5.611 4.586 -7.968 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.123 6.396 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.764 7.580 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.410 7.037 -8.284 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.446 8.186 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.532 10.441 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.265 9.191 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.840 9.913 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.849 9.899 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.310 9.335 -8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.260 8.257 -7.344 1.00 0.00 H new ATOM 510 N PHE A 34 -8.560 5.609 -5.695 1.00 0.00 N ATOM 511 CA PHE A 34 -9.774 4.857 -5.432 1.00 0.00 C ATOM 512 C PHE A 34 -11.016 5.691 -5.751 1.00 0.00 C ATOM 513 O PHE A 34 -11.321 6.652 -5.046 1.00 0.00 O ATOM 514 CB PHE A 34 -9.774 4.514 -3.940 1.00 0.00 C ATOM 515 CG PHE A 34 -8.484 3.849 -3.455 1.00 0.00 C ATOM 516 CD1 PHE A 34 -8.109 2.644 -3.962 1.00 0.00 C ATOM 517 CD2 PHE A 34 -7.714 4.461 -2.517 1.00 0.00 C ATOM 518 CE1 PHE A 34 -6.912 2.026 -3.512 1.00 0.00 C ATOM 519 CE2 PHE A 34 -6.518 3.844 -2.066 1.00 0.00 C ATOM 520 CZ PHE A 34 -6.142 2.639 -2.574 1.00 0.00 C ATOM 0 H PHE A 34 -8.502 6.507 -5.214 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.800 3.963 -6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.937 5.427 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.614 3.851 -3.730 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.721 2.157 -4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.012 5.418 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.614 1.069 -3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.907 4.331 -1.320 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.232 2.169 -2.232 1.00 0.00 H new ATOM 530 N THR A 35 -11.700 5.293 -6.814 1.00 0.00 N ATOM 531 CA THR A 35 -12.903 5.991 -7.235 1.00 0.00 C ATOM 532 C THR A 35 -14.080 5.618 -6.333 1.00 0.00 C ATOM 533 O THR A 35 -13.893 5.000 -5.286 1.00 0.00 O ATOM 534 CB THR A 35 -13.143 5.671 -8.711 1.00 0.00 C ATOM 535 OG1 THR A 35 -12.716 4.318 -8.847 1.00 0.00 O ATOM 536 CG2 THR A 35 -12.209 6.451 -9.639 1.00 0.00 C ATOM 0 H THR A 35 -11.444 4.496 -7.396 1.00 0.00 H new ATOM 0 HA THR A 35 -12.789 7.070 -7.136 1.00 0.00 H new ATOM 0 HB THR A 35 -14.179 5.895 -8.967 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.839 4.028 -9.775 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.421 6.187 -10.675 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.366 7.520 -9.498 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.174 6.202 -9.406 1.00 0.00 H new ATOM 544 N GLU A 36 -15.268 6.008 -6.772 1.00 0.00 N ATOM 545 CA GLU A 36 -16.476 5.722 -6.017 1.00 0.00 C ATOM 546 C GLU A 36 -16.804 4.229 -6.086 1.00 0.00 C ATOM 547 O GLU A 36 -16.539 3.578 -7.096 1.00 0.00 O ATOM 548 CB GLU A 36 -17.649 6.566 -6.520 1.00 0.00 C ATOM 549 CG GLU A 36 -18.336 5.895 -7.711 1.00 0.00 C ATOM 550 CD GLU A 36 -19.259 6.876 -8.436 1.00 0.00 C ATOM 551 OE1 GLU A 36 -18.725 7.664 -9.246 1.00 0.00 O ATOM 552 OE2 GLU A 36 -20.478 6.816 -8.164 1.00 0.00 O ATOM 0 H GLU A 36 -15.420 6.520 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.301 5.987 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.369 6.711 -5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.292 7.554 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.584 5.518 -8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.911 5.036 -7.367 1.00 0.00 H new ATOM 559 N LYS A 37 -17.377 3.731 -5.000 1.00 0.00 N ATOM 560 CA LYS A 37 -17.744 2.327 -4.926 1.00 0.00 C ATOM 561 C LYS A 37 -16.483 1.468 -5.042 1.00 0.00 C ATOM 562 O LYS A 37 -16.522 0.375 -5.606 1.00 0.00 O ATOM 563 CB LYS A 37 -18.812 1.996 -5.970 1.00 0.00 C ATOM 564 CG LYS A 37 -20.079 2.823 -5.740 1.00 0.00 C ATOM 565 CD LYS A 37 -21.315 2.091 -6.267 1.00 0.00 C ATOM 566 CE LYS A 37 -21.442 2.252 -7.783 1.00 0.00 C ATOM 567 NZ LYS A 37 -22.853 2.103 -8.203 1.00 0.00 N ATOM 0 H LYS A 37 -17.596 4.274 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.196 2.102 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.422 2.192 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -19.053 0.934 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.198 3.024 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.983 3.788 -6.238 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.251 1.033 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -22.209 2.481 -5.780 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.068 3.231 -8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.826 1.507 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.922 2.215 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -23.198 1.160 -7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -23.433 2.830 -7.736 1.00 0.00 H new ATOM 581 N SER A 38 -15.395 1.994 -4.499 1.00 0.00 N ATOM 582 CA SER A 38 -14.125 1.288 -4.535 1.00 0.00 C ATOM 583 C SER A 38 -13.801 0.724 -3.150 1.00 0.00 C ATOM 584 O SER A 38 -13.571 1.479 -2.206 1.00 0.00 O ATOM 585 CB SER A 38 -12.998 2.207 -5.011 1.00 0.00 C ATOM 586 OG SER A 38 -13.140 2.558 -6.384 1.00 0.00 O ATOM 0 H SER A 38 -15.366 2.900 -4.032 1.00 0.00 H new ATOM 0 HA SER A 38 -14.210 0.465 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.988 3.113 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.039 1.712 -4.861 1.00 0.00 H new ATOM 0 HG SER A 38 -12.255 2.710 -6.776 1.00 0.00 H new ATOM 592 N TYR A 39 -13.794 -0.599 -3.072 1.00 0.00 N ATOM 593 CA TYR A 39 -13.501 -1.273 -1.818 1.00 0.00 C ATOM 594 C TYR A 39 -12.009 -1.588 -1.700 1.00 0.00 C ATOM 595 O TYR A 39 -11.458 -2.316 -2.524 1.00 0.00 O ATOM 596 CB TYR A 39 -14.287 -2.585 -1.852 1.00 0.00 C ATOM 597 CG TYR A 39 -15.718 -2.468 -1.324 1.00 0.00 C ATOM 598 CD1 TYR A 39 -15.948 -2.385 0.034 1.00 0.00 C ATOM 599 CD2 TYR A 39 -16.779 -2.446 -2.206 1.00 0.00 C ATOM 600 CE1 TYR A 39 -17.295 -2.274 0.531 1.00 0.00 C ATOM 601 CE2 TYR A 39 -18.126 -2.335 -1.709 1.00 0.00 C ATOM 602 CZ TYR A 39 -18.317 -2.255 -0.365 1.00 0.00 C ATOM 603 OH TYR A 39 -19.590 -2.151 0.104 1.00 0.00 O ATOM 0 H TYR A 39 -13.986 -1.222 -3.856 1.00 0.00 H new ATOM 0 HA TYR A 39 -13.774 -0.644 -0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -14.318 -2.951 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -13.754 -3.331 -1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -15.118 -2.403 0.724 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -16.599 -2.512 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -17.489 -2.207 1.591 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -18.965 -2.316 -2.388 1.00 0.00 H new ATOM 0 HH TYR A 39 -20.217 -2.148 -0.649 1.00 0.00 H new ATOM 613 N LEU A 40 -11.397 -1.024 -0.669 1.00 0.00 N ATOM 614 CA LEU A 40 -9.979 -1.236 -0.433 1.00 0.00 C ATOM 615 C LEU A 40 -9.774 -2.609 0.211 1.00 0.00 C ATOM 616 O LEU A 40 -9.063 -3.453 -0.334 1.00 0.00 O ATOM 617 CB LEU A 40 -9.394 -0.081 0.383 1.00 0.00 C ATOM 618 CG LEU A 40 -9.231 1.248 -0.358 1.00 0.00 C ATOM 619 CD1 LEU A 40 -10.566 1.720 -0.937 1.00 0.00 C ATOM 620 CD2 LEU A 40 -8.592 2.304 0.545 1.00 0.00 C ATOM 0 H LEU A 40 -11.857 -0.420 0.012 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.432 -1.240 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.033 0.085 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.418 -0.386 0.760 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.554 1.091 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.422 2.666 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.943 0.974 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.285 1.856 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.487 3.239 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.224 2.466 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.609 1.961 0.867 1.00 0.00 H new ATOM 632 N VAL A 41 -10.408 -2.790 1.360 1.00 0.00 N ATOM 633 CA VAL A 41 -10.303 -4.046 2.083 1.00 0.00 C ATOM 634 C VAL A 41 -11.698 -4.491 2.527 1.00 0.00 C ATOM 635 O VAL A 41 -12.550 -3.659 2.835 1.00 0.00 O ATOM 636 CB VAL A 41 -9.323 -3.898 3.248 1.00 0.00 C ATOM 637 CG1 VAL A 41 -8.039 -3.197 2.800 1.00 0.00 C ATOM 638 CG2 VAL A 41 -9.972 -3.159 4.420 1.00 0.00 C ATOM 0 H VAL A 41 -10.996 -2.088 1.808 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.903 -4.827 1.437 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.056 -4.898 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.360 -3.105 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.561 -3.781 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.280 -2.205 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.254 -3.067 5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.283 -2.166 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.843 -3.717 4.765 1.00 0.00 H new ATOM 648 N ARG A 42 -11.887 -5.802 2.546 1.00 0.00 N ATOM 649 CA ARG A 42 -13.164 -6.368 2.948 1.00 0.00 C ATOM 650 C ARG A 42 -12.963 -7.387 4.072 1.00 0.00 C ATOM 651 O ARG A 42 -11.832 -7.667 4.466 1.00 0.00 O ATOM 652 CB ARG A 42 -13.859 -7.051 1.769 1.00 0.00 C ATOM 653 CG ARG A 42 -14.919 -6.136 1.153 1.00 0.00 C ATOM 654 CD ARG A 42 -16.304 -6.433 1.732 1.00 0.00 C ATOM 655 NE ARG A 42 -17.010 -7.413 0.877 1.00 0.00 N ATOM 656 CZ ARG A 42 -18.342 -7.561 0.847 1.00 0.00 C ATOM 657 NH1 ARG A 42 -19.119 -6.796 1.625 1.00 0.00 N ATOM 658 NH2 ARG A 42 -18.896 -8.476 0.039 1.00 0.00 N ATOM 0 H ARG A 42 -11.178 -6.489 2.290 1.00 0.00 H new ATOM 0 HA ARG A 42 -13.792 -5.551 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.121 -7.319 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.324 -7.978 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.658 -5.094 1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.937 -6.271 0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.208 -6.824 2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -16.884 -5.513 1.800 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.448 -8.013 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -18.697 -6.101 2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -20.132 -6.909 1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.304 -9.059 -0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.909 -8.589 0.016 1.00 0.00 H new ATOM 672 N GLU A 43 -14.078 -7.913 4.556 1.00 0.00 N ATOM 673 CA GLU A 43 -14.038 -8.895 5.627 1.00 0.00 C ATOM 674 C GLU A 43 -14.275 -10.299 5.068 1.00 0.00 C ATOM 675 O GLU A 43 -15.391 -10.635 4.674 1.00 0.00 O ATOM 676 CB GLU A 43 -15.059 -8.559 6.717 1.00 0.00 C ATOM 677 CG GLU A 43 -14.498 -8.867 8.107 1.00 0.00 C ATOM 678 CD GLU A 43 -14.508 -10.372 8.380 1.00 0.00 C ATOM 679 OE1 GLU A 43 -15.590 -10.874 8.754 1.00 0.00 O ATOM 680 OE2 GLU A 43 -13.433 -10.987 8.211 1.00 0.00 O ATOM 0 H GLU A 43 -15.014 -7.678 4.227 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.048 -8.868 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.329 -7.505 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.972 -9.132 6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.480 -8.486 8.185 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.089 -8.352 8.864 1.00 0.00 H new ATOM 687 N GLY A 44 -13.207 -11.083 5.052 1.00 0.00 N ATOM 688 CA GLY A 44 -13.284 -12.444 4.549 1.00 0.00 C ATOM 689 C GLY A 44 -12.379 -12.629 3.329 1.00 0.00 C ATOM 690 O GLY A 44 -11.988 -13.749 3.006 1.00 0.00 O ATOM 0 H GLY A 44 -12.283 -10.801 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.991 -13.142 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.314 -12.679 4.281 1.00 0.00 H new ATOM 694 N ASP A 45 -12.074 -11.513 2.684 1.00 0.00 N ATOM 695 CA ASP A 45 -11.223 -11.538 1.506 1.00 0.00 C ATOM 696 C ASP A 45 -9.765 -11.354 1.932 1.00 0.00 C ATOM 697 O ASP A 45 -9.487 -10.735 2.958 1.00 0.00 O ATOM 698 CB ASP A 45 -11.581 -10.404 0.543 1.00 0.00 C ATOM 699 CG ASP A 45 -11.382 -8.994 1.103 1.00 0.00 C ATOM 700 OD1 ASP A 45 -11.614 -8.828 2.320 1.00 0.00 O ATOM 701 OD2 ASP A 45 -11.004 -8.113 0.300 1.00 0.00 O ATOM 0 H ASP A 45 -12.401 -10.585 2.955 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.368 -12.495 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.978 -10.509 -0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.623 -10.516 0.244 1.00 0.00 H new ATOM 706 N PRO A 46 -8.848 -11.916 1.100 1.00 0.00 N ATOM 707 CA PRO A 46 -7.425 -11.820 1.380 1.00 0.00 C ATOM 708 C PRO A 46 -6.898 -10.418 1.068 1.00 0.00 C ATOM 709 O PRO A 46 -7.572 -9.631 0.406 1.00 0.00 O ATOM 710 CB PRO A 46 -6.782 -12.899 0.524 1.00 0.00 C ATOM 711 CG PRO A 46 -7.804 -13.247 -0.546 1.00 0.00 C ATOM 712 CD PRO A 46 -9.140 -12.656 -0.125 1.00 0.00 C ATOM 0 HA PRO A 46 -7.193 -11.974 2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.855 -12.541 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.530 -13.774 1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.497 -12.846 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.884 -14.328 -0.660 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.544 -12.001 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.881 -13.436 0.051 1.00 0.00 H new ATOM 720 N VAL A 47 -5.699 -10.148 1.562 1.00 0.00 N ATOM 721 CA VAL A 47 -5.074 -8.854 1.345 1.00 0.00 C ATOM 722 C VAL A 47 -3.914 -9.012 0.360 1.00 0.00 C ATOM 723 O VAL A 47 -2.855 -9.524 0.719 1.00 0.00 O ATOM 724 CB VAL A 47 -4.644 -8.249 2.683 1.00 0.00 C ATOM 725 CG1 VAL A 47 -4.227 -6.787 2.514 1.00 0.00 C ATOM 726 CG2 VAL A 47 -5.753 -8.386 3.728 1.00 0.00 C ATOM 0 H VAL A 47 -5.143 -10.803 2.112 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.785 -8.156 0.902 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.777 -8.805 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.926 -6.381 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.391 -6.725 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.067 -6.212 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.422 -7.948 4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.646 -7.867 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.982 -9.441 3.879 1.00 0.00 H new ATOM 736 N ASN A 48 -4.153 -8.562 -0.864 1.00 0.00 N ATOM 737 CA ASN A 48 -3.141 -8.647 -1.903 1.00 0.00 C ATOM 738 C ASN A 48 -2.122 -7.523 -1.710 1.00 0.00 C ATOM 739 O ASN A 48 -0.916 -7.750 -1.798 1.00 0.00 O ATOM 740 CB ASN A 48 -3.763 -8.487 -3.292 1.00 0.00 C ATOM 741 CG ASN A 48 -3.092 -9.418 -4.303 1.00 0.00 C ATOM 742 OD1 ASN A 48 -3.143 -10.633 -4.197 1.00 0.00 O ATOM 743 ND2 ASN A 48 -2.462 -8.784 -5.288 1.00 0.00 N ATOM 0 H ASN A 48 -5.032 -8.138 -1.159 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.665 -9.625 -1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.830 -8.705 -3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.663 -7.453 -3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.983 -9.317 -6.014 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.458 -7.764 -5.318 1.00 0.00 H new ATOM 750 N GLU A 49 -2.643 -6.333 -1.449 1.00 0.00 N ATOM 751 CA GLU A 49 -1.794 -5.172 -1.242 1.00 0.00 C ATOM 752 C GLU A 49 -2.338 -4.313 -0.099 1.00 0.00 C ATOM 753 O GLU A 49 -3.544 -4.287 0.143 1.00 0.00 O ATOM 754 CB GLU A 49 -1.660 -4.354 -2.528 1.00 0.00 C ATOM 755 CG GLU A 49 -3.029 -3.885 -3.024 1.00 0.00 C ATOM 756 CD GLU A 49 -3.844 -5.057 -3.575 1.00 0.00 C ATOM 757 OE1 GLU A 49 -3.487 -5.528 -4.677 1.00 0.00 O ATOM 758 OE2 GLU A 49 -4.805 -5.455 -2.882 1.00 0.00 O ATOM 0 H GLU A 49 -3.643 -6.148 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.798 -5.519 -0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.019 -3.491 -2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.177 -4.956 -3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.573 -3.411 -2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.900 -3.131 -3.800 1.00 0.00 H new ATOM 765 N MET A 50 -1.423 -3.629 0.573 1.00 0.00 N ATOM 766 CA MET A 50 -1.797 -2.771 1.684 1.00 0.00 C ATOM 767 C MET A 50 -1.962 -1.321 1.225 1.00 0.00 C ATOM 768 O MET A 50 -1.165 -0.823 0.431 1.00 0.00 O ATOM 769 CB MET A 50 -0.721 -2.844 2.769 1.00 0.00 C ATOM 770 CG MET A 50 -1.106 -1.992 3.981 1.00 0.00 C ATOM 771 SD MET A 50 -0.359 -2.658 5.458 1.00 0.00 S ATOM 772 CE MET A 50 -0.423 -1.220 6.514 1.00 0.00 C ATOM 0 H MET A 50 -0.424 -3.652 0.369 1.00 0.00 H new ATOM 0 HA MET A 50 -2.751 -3.117 2.082 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.581 -3.880 3.078 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.231 -2.500 2.366 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.779 -0.963 3.831 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.190 -1.970 4.090 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.346 -1.299 7.283 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.251 -0.323 5.919 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.403 -1.159 6.986 1.00 0.00 H new ATOM 782 N LEU A 51 -3.001 -0.684 1.744 1.00 0.00 N ATOM 783 CA LEU A 51 -3.281 0.699 1.398 1.00 0.00 C ATOM 784 C LEU A 51 -2.924 1.599 2.582 1.00 0.00 C ATOM 785 O LEU A 51 -3.316 1.325 3.716 1.00 0.00 O ATOM 786 CB LEU A 51 -4.728 0.851 0.924 1.00 0.00 C ATOM 787 CG LEU A 51 -5.054 0.239 -0.440 1.00 0.00 C ATOM 788 CD1 LEU A 51 -3.841 0.296 -1.371 1.00 0.00 C ATOM 789 CD2 LEU A 51 -5.595 -1.184 -0.288 1.00 0.00 C ATOM 0 H LEU A 51 -3.660 -1.100 2.402 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.661 1.014 0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.383 0.399 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.969 1.914 0.890 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.842 0.834 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.100 -0.145 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.542 1.334 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.015 -0.260 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.819 -1.595 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.848 -1.807 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.505 -1.165 0.312 1.00 0.00 H new ATOM 801 N PHE A 52 -2.185 2.656 2.280 1.00 0.00 N ATOM 802 CA PHE A 52 -1.771 3.599 3.306 1.00 0.00 C ATOM 803 C PHE A 52 -2.432 4.963 3.096 1.00 0.00 C ATOM 804 O PHE A 52 -2.001 5.741 2.246 1.00 0.00 O ATOM 805 CB PHE A 52 -0.254 3.756 3.183 1.00 0.00 C ATOM 806 CG PHE A 52 0.531 2.484 3.509 1.00 0.00 C ATOM 807 CD1 PHE A 52 0.558 1.455 2.620 1.00 0.00 C ATOM 808 CD2 PHE A 52 1.203 2.382 4.687 1.00 0.00 C ATOM 809 CE1 PHE A 52 1.287 0.274 2.922 1.00 0.00 C ATOM 810 CE2 PHE A 52 1.933 1.202 4.989 1.00 0.00 C ATOM 811 CZ PHE A 52 1.959 0.173 4.100 1.00 0.00 C ATOM 0 H PHE A 52 -1.862 2.881 1.339 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.064 3.231 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.013 4.070 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.074 4.554 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.025 1.536 1.684 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.181 3.199 5.393 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.308 -0.543 2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.467 1.122 5.924 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.514 -0.725 4.330 1.00 0.00 H new ATOM 821 N ILE A 53 -3.467 5.211 3.885 1.00 0.00 N ATOM 822 CA ILE A 53 -4.191 6.467 3.796 1.00 0.00 C ATOM 823 C ILE A 53 -3.206 7.630 3.937 1.00 0.00 C ATOM 824 O ILE A 53 -2.526 7.752 4.954 1.00 0.00 O ATOM 825 CB ILE A 53 -5.332 6.501 4.815 1.00 0.00 C ATOM 826 CG1 ILE A 53 -6.445 5.527 4.425 1.00 0.00 C ATOM 827 CG2 ILE A 53 -5.856 7.926 5.004 1.00 0.00 C ATOM 828 CD1 ILE A 53 -7.222 6.041 3.211 1.00 0.00 C ATOM 0 H ILE A 53 -3.821 4.563 4.589 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.664 6.566 2.819 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.940 6.172 5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.016 4.550 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.125 5.391 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.666 7.922 5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.049 8.566 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.226 8.307 4.052 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.007 5.330 2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -7.669 7.006 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.543 6.153 2.365 1.00 0.00 H new ATOM 840 N ILE A 54 -3.161 8.454 2.900 1.00 0.00 N ATOM 841 CA ILE A 54 -2.271 9.602 2.895 1.00 0.00 C ATOM 842 C ILE A 54 -3.062 10.857 3.269 1.00 0.00 C ATOM 843 O ILE A 54 -2.652 11.615 4.147 1.00 0.00 O ATOM 844 CB ILE A 54 -1.545 9.711 1.553 1.00 0.00 C ATOM 845 CG1 ILE A 54 -0.944 8.364 1.144 1.00 0.00 C ATOM 846 CG2 ILE A 54 -0.492 10.821 1.587 1.00 0.00 C ATOM 847 CD1 ILE A 54 0.177 7.951 2.098 1.00 0.00 C ATOM 0 H ILE A 54 -3.727 8.349 2.058 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.490 9.481 3.646 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.275 9.983 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.722 7.601 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.556 8.429 0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.009 10.877 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.975 11.774 1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.241 10.603 2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.586 6.991 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.965 8.704 2.081 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.220 7.863 3.109 1.00 0.00 H new ATOM 859 N ARG A 55 -4.182 11.038 2.585 1.00 0.00 N ATOM 860 CA ARG A 55 -5.034 12.188 2.835 1.00 0.00 C ATOM 861 C ARG A 55 -6.367 12.031 2.099 1.00 0.00 C ATOM 862 O ARG A 55 -6.451 12.290 0.899 1.00 0.00 O ATOM 863 CB ARG A 55 -4.358 13.483 2.382 1.00 0.00 C ATOM 864 CG ARG A 55 -4.353 14.521 3.506 1.00 0.00 C ATOM 865 CD ARG A 55 -4.547 15.933 2.949 1.00 0.00 C ATOM 866 NE ARG A 55 -4.751 16.891 4.059 1.00 0.00 N ATOM 867 CZ ARG A 55 -5.032 18.190 3.889 1.00 0.00 C ATOM 868 NH1 ARG A 55 -5.146 18.694 2.652 1.00 0.00 N ATOM 869 NH2 ARG A 55 -5.200 18.984 4.954 1.00 0.00 N ATOM 0 H ARG A 55 -4.519 10.407 1.858 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.212 12.242 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.335 13.274 2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.879 13.885 1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.147 14.295 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -3.411 14.467 4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.676 16.224 2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.405 15.953 2.278 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.673 16.540 5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.019 18.089 1.841 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.360 19.683 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.114 18.600 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.414 19.973 4.824 1.00 0.00 H new ATOM 883 N GLY A 56 -7.374 11.608 2.848 1.00 0.00 N ATOM 884 CA GLY A 56 -8.698 11.414 2.282 1.00 0.00 C ATOM 885 C GLY A 56 -9.690 10.953 3.351 1.00 0.00 C ATOM 886 O GLY A 56 -9.501 11.223 4.536 1.00 0.00 O ATOM 0 H GLY A 56 -7.300 11.394 3.843 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.046 12.345 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.651 10.675 1.482 1.00 0.00 H new ATOM 890 N ARG A 57 -10.725 10.263 2.895 1.00 0.00 N ATOM 891 CA ARG A 57 -11.747 9.762 3.798 1.00 0.00 C ATOM 892 C ARG A 57 -12.293 8.425 3.292 1.00 0.00 C ATOM 893 O ARG A 57 -12.161 8.103 2.112 1.00 0.00 O ATOM 894 CB ARG A 57 -12.901 10.758 3.932 1.00 0.00 C ATOM 895 CG ARG A 57 -12.609 11.791 5.022 1.00 0.00 C ATOM 896 CD ARG A 57 -13.554 11.614 6.212 1.00 0.00 C ATOM 897 NE ARG A 57 -14.310 12.864 6.449 1.00 0.00 N ATOM 898 CZ ARG A 57 -13.828 13.917 7.123 1.00 0.00 C ATOM 899 NH1 ARG A 57 -12.589 13.877 7.632 1.00 0.00 N ATOM 900 NH2 ARG A 57 -14.585 15.010 7.289 1.00 0.00 N ATOM 0 H ARG A 57 -10.878 10.039 1.912 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.286 9.624 4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.062 11.264 2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.821 10.224 4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.576 11.691 5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.717 12.796 4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.244 10.793 6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.984 11.349 7.103 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.257 12.928 6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.013 13.045 7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.222 14.679 8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.528 15.041 6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.218 15.811 7.802 1.00 0.00 H new ATOM 914 N LEU A 58 -12.895 7.683 4.209 1.00 0.00 N ATOM 915 CA LEU A 58 -13.461 6.388 3.871 1.00 0.00 C ATOM 916 C LEU A 58 -14.481 5.987 4.939 1.00 0.00 C ATOM 917 O LEU A 58 -14.577 6.631 5.983 1.00 0.00 O ATOM 918 CB LEU A 58 -12.352 5.356 3.661 1.00 0.00 C ATOM 919 CG LEU A 58 -11.597 5.443 2.333 1.00 0.00 C ATOM 920 CD1 LEU A 58 -10.305 6.248 2.489 1.00 0.00 C ATOM 921 CD2 LEU A 58 -11.338 4.049 1.758 1.00 0.00 C ATOM 0 H LEU A 58 -13.003 7.954 5.186 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.996 6.443 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.632 5.456 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.789 4.361 3.743 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.224 5.975 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.787 6.295 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.544 7.258 2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.662 5.765 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.800 4.139 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.741 3.470 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.288 3.544 1.587 1.00 0.00 H new ATOM 933 N GLU A 59 -15.216 4.926 4.641 1.00 0.00 N ATOM 934 CA GLU A 59 -16.224 4.432 5.563 1.00 0.00 C ATOM 935 C GLU A 59 -15.885 3.007 6.007 1.00 0.00 C ATOM 936 O GLU A 59 -15.855 2.089 5.189 1.00 0.00 O ATOM 937 CB GLU A 59 -17.618 4.493 4.935 1.00 0.00 C ATOM 938 CG GLU A 59 -18.489 3.332 5.419 1.00 0.00 C ATOM 939 CD GLU A 59 -18.756 3.435 6.922 1.00 0.00 C ATOM 940 OE1 GLU A 59 -17.851 3.935 7.626 1.00 0.00 O ATOM 941 OE2 GLU A 59 -19.858 3.012 7.334 1.00 0.00 O ATOM 0 H GLU A 59 -15.134 4.395 3.774 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.229 5.075 6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -18.094 5.440 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.533 4.460 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.435 3.332 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -17.995 2.386 5.198 1.00 0.00 H new ATOM 948 N SER A 60 -15.639 2.868 7.301 1.00 0.00 N ATOM 949 CA SER A 60 -15.303 1.571 7.863 1.00 0.00 C ATOM 950 C SER A 60 -16.493 1.018 8.651 1.00 0.00 C ATOM 951 O SER A 60 -17.237 1.776 9.272 1.00 0.00 O ATOM 952 CB SER A 60 -14.068 1.663 8.762 1.00 0.00 C ATOM 953 OG SER A 60 -14.409 1.998 10.104 1.00 0.00 O ATOM 0 H SER A 60 -15.666 3.632 7.976 1.00 0.00 H new ATOM 0 HA SER A 60 -15.072 0.892 7.042 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.539 0.710 8.749 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.384 2.413 8.364 1.00 0.00 H new ATOM 0 HG SER A 60 -13.594 2.046 10.646 1.00 0.00 H new ATOM 959 N VAL A 61 -16.635 -0.299 8.601 1.00 0.00 N ATOM 960 CA VAL A 61 -17.721 -0.961 9.302 1.00 0.00 C ATOM 961 C VAL A 61 -17.239 -2.321 9.812 1.00 0.00 C ATOM 962 O VAL A 61 -16.501 -3.021 9.121 1.00 0.00 O ATOM 963 CB VAL A 61 -18.946 -1.065 8.390 1.00 0.00 C ATOM 964 CG1 VAL A 61 -19.803 -2.278 8.760 1.00 0.00 C ATOM 965 CG2 VAL A 61 -19.771 0.222 8.431 1.00 0.00 C ATOM 0 H VAL A 61 -16.016 -0.925 8.086 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.027 -0.377 10.170 1.00 0.00 H new ATOM 0 HB VAL A 61 -18.592 -1.203 7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.667 -2.329 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.211 -3.187 8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.142 -2.183 9.791 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -20.635 0.121 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.109 0.405 9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -19.157 1.058 8.097 1.00 0.00 H new ATOM 1126 N ARG A 73 -20.793 1.613 12.675 1.00 0.00 N ATOM 1127 CA ARG A 73 -20.185 2.440 11.647 1.00 0.00 C ATOM 1128 C ARG A 73 -19.112 3.344 12.258 1.00 0.00 C ATOM 1129 O ARG A 73 -19.290 3.868 13.357 1.00 0.00 O ATOM 1130 CB ARG A 73 -21.233 3.307 10.946 1.00 0.00 C ATOM 1131 CG ARG A 73 -21.995 2.500 9.892 1.00 0.00 C ATOM 1132 CD ARG A 73 -22.930 1.484 10.551 1.00 0.00 C ATOM 1133 NE ARG A 73 -24.182 1.368 9.770 1.00 0.00 N ATOM 1134 CZ ARG A 73 -25.228 0.614 10.135 1.00 0.00 C ATOM 1135 NH1 ARG A 73 -25.178 -0.097 11.270 1.00 0.00 N ATOM 1136 NH2 ARG A 73 -26.324 0.570 9.364 1.00 0.00 N ATOM 0 HA ARG A 73 -19.730 1.775 10.913 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -21.933 3.704 11.681 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -20.747 4.161 10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -22.572 3.174 9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -21.288 1.982 9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.439 0.513 10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -23.156 1.793 11.572 1.00 0.00 H new ATOM 0 HE ARG A 73 -24.253 1.895 8.900 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -24.344 -0.064 11.856 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -25.974 -0.671 11.548 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -26.362 1.110 8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -27.120 -0.004 9.642 1.00 0.00 H new ATOM 1150 N SER A 74 -18.023 3.499 11.520 1.00 0.00 N ATOM 1151 CA SER A 74 -16.922 4.331 11.976 1.00 0.00 C ATOM 1152 C SER A 74 -16.288 5.057 10.787 1.00 0.00 C ATOM 1153 O SER A 74 -16.652 4.810 9.638 1.00 0.00 O ATOM 1154 CB SER A 74 -15.870 3.498 12.711 1.00 0.00 C ATOM 1155 OG SER A 74 -14.752 4.284 13.113 1.00 0.00 O ATOM 0 H SER A 74 -17.879 3.063 10.609 1.00 0.00 H new ATOM 0 HA SER A 74 -17.317 5.068 12.676 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.322 3.035 13.588 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.531 2.689 12.064 1.00 0.00 H new ATOM 0 HG SER A 74 -14.104 3.716 13.580 1.00 0.00 H new ATOM 1161 N LEU A 75 -15.352 5.939 11.105 1.00 0.00 N ATOM 1162 CA LEU A 75 -14.664 6.702 10.078 1.00 0.00 C ATOM 1163 C LEU A 75 -13.161 6.697 10.365 1.00 0.00 C ATOM 1164 O LEU A 75 -12.747 6.676 11.523 1.00 0.00 O ATOM 1165 CB LEU A 75 -15.263 8.105 9.962 1.00 0.00 C ATOM 1166 CG LEU A 75 -15.455 8.637 8.540 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -16.539 7.850 7.802 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -15.745 10.140 8.552 1.00 0.00 C ATOM 0 H LEU A 75 -15.054 6.142 12.059 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.804 6.239 9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.231 8.108 10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.621 8.799 10.505 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.524 8.493 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.655 8.248 6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.252 6.800 7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.483 7.940 8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.877 10.493 7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.654 10.331 9.122 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.910 10.668 9.013 1.00 0.00 H new ATOM 1180 N LEU A 76 -12.386 6.717 9.291 1.00 0.00 N ATOM 1181 CA LEU A 76 -10.938 6.715 9.413 1.00 0.00 C ATOM 1182 C LEU A 76 -10.386 8.050 8.909 1.00 0.00 C ATOM 1183 O LEU A 76 -10.617 8.428 7.761 1.00 0.00 O ATOM 1184 CB LEU A 76 -10.342 5.496 8.704 1.00 0.00 C ATOM 1185 CG LEU A 76 -11.056 4.164 8.946 1.00 0.00 C ATOM 1186 CD1 LEU A 76 -10.580 3.100 7.956 1.00 0.00 C ATOM 1187 CD2 LEU A 76 -10.892 3.711 10.398 1.00 0.00 C ATOM 0 H LEU A 76 -12.733 6.735 8.332 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.644 6.622 10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.334 5.692 7.632 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.303 5.391 9.016 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.122 4.310 8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.103 2.163 8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.790 3.430 6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.507 2.948 8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.409 2.762 10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.833 3.586 10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.318 4.462 11.064 1.00 0.00 H new ATOM 1199 N LYS A 77 -9.666 8.727 9.791 1.00 0.00 N ATOM 1200 CA LYS A 77 -9.080 10.012 9.450 1.00 0.00 C ATOM 1201 C LYS A 77 -7.628 9.805 9.012 1.00 0.00 C ATOM 1202 O LYS A 77 -7.180 8.670 8.853 1.00 0.00 O ATOM 1203 CB LYS A 77 -9.237 10.998 10.610 1.00 0.00 C ATOM 1204 CG LYS A 77 -8.172 10.758 11.682 1.00 0.00 C ATOM 1205 CD LYS A 77 -7.718 12.078 12.308 1.00 0.00 C ATOM 1206 CE LYS A 77 -6.914 12.911 11.308 1.00 0.00 C ATOM 1207 NZ LYS A 77 -7.804 13.828 10.562 1.00 0.00 N ATOM 0 H LYS A 77 -9.475 8.410 10.741 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.608 10.460 8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.159 12.019 10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.229 10.894 11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.571 10.102 12.456 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.316 10.247 11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.587 12.644 12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.110 11.876 13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.151 13.484 11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.395 12.252 10.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.878 13.513 9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.748 13.826 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.412 14.791 10.590 1.00 0.00 H new ATOM 1221 N GLU A 78 -6.934 10.918 8.830 1.00 0.00 N ATOM 1222 CA GLU A 78 -5.543 10.873 8.413 1.00 0.00 C ATOM 1223 C GLU A 78 -4.679 10.257 9.515 1.00 0.00 C ATOM 1224 O GLU A 78 -4.717 10.702 10.661 1.00 0.00 O ATOM 1225 CB GLU A 78 -5.038 12.267 8.035 1.00 0.00 C ATOM 1226 CG GLU A 78 -5.801 12.819 6.829 1.00 0.00 C ATOM 1227 CD GLU A 78 -6.503 14.133 7.178 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -5.775 15.127 7.385 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -7.752 14.113 7.231 1.00 0.00 O ATOM 0 H GLU A 78 -7.309 11.857 8.964 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.470 10.244 7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.154 12.942 8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.973 12.222 7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.111 12.980 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.536 12.088 6.494 1.00 0.00 H new ATOM 1236 N GLY A 79 -3.919 9.242 9.130 1.00 0.00 N ATOM 1237 CA GLY A 79 -3.047 8.560 10.071 1.00 0.00 C ATOM 1238 C GLY A 79 -3.420 7.081 10.191 1.00 0.00 C ATOM 1239 O GLY A 79 -2.551 6.231 10.377 1.00 0.00 O ATOM 0 H GLY A 79 -3.889 8.875 8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.011 8.652 9.745 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.117 9.037 11.049 1.00 0.00 H new ATOM 1243 N ASP A 80 -4.714 6.819 10.080 1.00 0.00 N ATOM 1244 CA ASP A 80 -5.213 5.458 10.174 1.00 0.00 C ATOM 1245 C ASP A 80 -4.872 4.704 8.887 1.00 0.00 C ATOM 1246 O ASP A 80 -4.678 5.316 7.838 1.00 0.00 O ATOM 1247 CB ASP A 80 -6.733 5.438 10.345 1.00 0.00 C ATOM 1248 CG ASP A 80 -7.278 4.262 11.157 1.00 0.00 C ATOM 1249 OD1 ASP A 80 -7.387 3.166 10.566 1.00 0.00 O ATOM 1250 OD2 ASP A 80 -7.573 4.485 12.351 1.00 0.00 O ATOM 0 H ASP A 80 -5.432 7.527 9.926 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.747 4.988 11.040 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.041 6.366 10.826 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.194 5.423 9.358 1.00 0.00 H new ATOM 1255 N PHE A 81 -4.809 3.386 9.010 1.00 0.00 N ATOM 1256 CA PHE A 81 -4.494 2.543 7.869 1.00 0.00 C ATOM 1257 C PHE A 81 -5.385 1.298 7.846 1.00 0.00 C ATOM 1258 O PHE A 81 -6.056 0.992 8.830 1.00 0.00 O ATOM 1259 CB PHE A 81 -3.035 2.109 8.022 1.00 0.00 C ATOM 1260 CG PHE A 81 -2.495 2.234 9.448 1.00 0.00 C ATOM 1261 CD1 PHE A 81 -2.829 1.307 10.386 1.00 0.00 C ATOM 1262 CD2 PHE A 81 -1.681 3.272 9.779 1.00 0.00 C ATOM 1263 CE1 PHE A 81 -2.328 1.423 11.709 1.00 0.00 C ATOM 1264 CE2 PHE A 81 -1.180 3.388 11.102 1.00 0.00 C ATOM 1265 CZ PHE A 81 -1.514 2.461 12.039 1.00 0.00 C ATOM 0 H PHE A 81 -4.971 2.882 9.882 1.00 0.00 H new ATOM 0 HA PHE A 81 -4.659 3.093 6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.939 1.073 7.698 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.416 2.710 7.356 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.476 0.483 10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.416 4.008 9.035 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.593 0.687 12.453 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.534 4.212 11.364 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.133 2.549 13.046 1.00 0.00 H new ATOM 1275 N CYS A 82 -5.361 0.614 6.711 1.00 0.00 N ATOM 1276 CA CYS A 82 -6.157 -0.590 6.547 1.00 0.00 C ATOM 1277 C CYS A 82 -5.223 -1.732 6.144 1.00 0.00 C ATOM 1278 O CYS A 82 -4.057 -1.503 5.825 1.00 0.00 O ATOM 1279 CB CYS A 82 -7.283 -0.389 5.531 1.00 0.00 C ATOM 1280 SG CYS A 82 -6.619 0.364 4.001 1.00 0.00 S ATOM 0 H CYS A 82 -4.803 0.871 5.897 1.00 0.00 H new ATOM 0 HA CYS A 82 -6.646 -0.837 7.489 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -7.752 -1.346 5.301 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.057 0.251 5.955 1.00 0.00 H new ATOM 0 HG CYS A 82 -7.583 0.528 3.144 1.00 0.00 H new ATOM 1286 N GLY A 83 -5.770 -2.939 6.173 1.00 0.00 N ATOM 1287 CA GLY A 83 -5.000 -4.118 5.815 1.00 0.00 C ATOM 1288 C GLY A 83 -3.591 -4.054 6.409 1.00 0.00 C ATOM 1289 O GLY A 83 -2.612 -4.356 5.728 1.00 0.00 O ATOM 0 H GLY A 83 -6.737 -3.125 6.439 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.510 -5.012 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.938 -4.200 4.730 1.00 0.00 H new ATOM 1293 N ASP A 84 -3.534 -3.659 7.672 1.00 0.00 N ATOM 1294 CA ASP A 84 -2.261 -3.551 8.365 1.00 0.00 C ATOM 1295 C ASP A 84 -1.693 -4.953 8.599 1.00 0.00 C ATOM 1296 O ASP A 84 -0.478 -5.143 8.589 1.00 0.00 O ATOM 1297 CB ASP A 84 -2.432 -2.877 9.728 1.00 0.00 C ATOM 1298 CG ASP A 84 -2.876 -3.807 10.859 1.00 0.00 C ATOM 1299 OD1 ASP A 84 -4.070 -4.176 10.854 1.00 0.00 O ATOM 1300 OD2 ASP A 84 -2.011 -4.128 11.702 1.00 0.00 O ATOM 0 H ASP A 84 -4.348 -3.410 8.234 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.590 -2.953 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.486 -2.414 10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.163 -2.074 9.630 1.00 0.00 H new ATOM 1305 N GLU A 85 -2.599 -5.897 8.804 1.00 0.00 N ATOM 1306 CA GLU A 85 -2.203 -7.275 9.040 1.00 0.00 C ATOM 1307 C GLU A 85 -1.140 -7.703 8.026 1.00 0.00 C ATOM 1308 O GLU A 85 -0.262 -8.505 8.342 1.00 0.00 O ATOM 1309 CB GLU A 85 -3.413 -8.210 8.992 1.00 0.00 C ATOM 1310 CG GLU A 85 -4.357 -7.944 10.167 1.00 0.00 C ATOM 1311 CD GLU A 85 -3.655 -8.197 11.503 1.00 0.00 C ATOM 1312 OE1 GLU A 85 -3.058 -9.288 11.632 1.00 0.00 O ATOM 1313 OE2 GLU A 85 -3.732 -7.295 12.364 1.00 0.00 O ATOM 0 H GLU A 85 -3.606 -5.735 8.812 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.773 -7.342 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.948 -8.071 8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.078 -9.247 9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.711 -6.914 10.128 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.234 -8.586 10.086 1.00 0.00 H new ATOM 1320 N LEU A 86 -1.254 -7.149 6.828 1.00 0.00 N ATOM 1321 CA LEU A 86 -0.313 -7.463 5.766 1.00 0.00 C ATOM 1322 C LEU A 86 1.108 -7.155 6.241 1.00 0.00 C ATOM 1323 O LEU A 86 2.000 -7.994 6.128 1.00 0.00 O ATOM 1324 CB LEU A 86 -0.701 -6.739 4.475 1.00 0.00 C ATOM 1325 CG LEU A 86 0.108 -7.107 3.230 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -0.199 -8.536 2.779 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -0.118 -6.091 2.109 1.00 0.00 C ATOM 0 H LEU A 86 -1.983 -6.485 6.569 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.346 -8.527 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.753 -6.939 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.606 -5.666 4.641 1.00 0.00 H new ATOM 0 HG LEU A 86 1.166 -7.071 3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.389 -8.772 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.054 -9.232 3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.260 -8.624 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.469 -6.376 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.175 -6.070 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.191 -5.102 2.447 1.00 0.00 H new ATOM 1339 N LEU A 87 1.275 -5.948 6.762 1.00 0.00 N ATOM 1340 CA LEU A 87 2.572 -5.518 7.254 1.00 0.00 C ATOM 1341 C LEU A 87 3.154 -6.605 8.161 1.00 0.00 C ATOM 1342 O LEU A 87 4.313 -6.989 8.010 1.00 0.00 O ATOM 1343 CB LEU A 87 2.463 -4.149 7.928 1.00 0.00 C ATOM 1344 CG LEU A 87 3.553 -3.136 7.570 1.00 0.00 C ATOM 1345 CD1 LEU A 87 3.359 -2.601 6.150 1.00 0.00 C ATOM 1346 CD2 LEU A 87 3.615 -2.010 8.603 1.00 0.00 C ATOM 0 H LEU A 87 0.533 -5.254 6.854 1.00 0.00 H new ATOM 0 HA LEU A 87 3.268 -5.385 6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.495 -3.717 7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.472 -4.296 9.008 1.00 0.00 H new ATOM 0 HG LEU A 87 4.515 -3.647 7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.147 -1.883 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.404 -3.427 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.388 -2.111 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.398 -1.304 8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.656 -1.494 8.636 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.836 -2.429 9.585 1.00 0.00 H new ATOM 1358 N THR A 88 2.324 -7.069 9.083 1.00 0.00 N ATOM 1359 CA THR A 88 2.741 -8.104 10.013 1.00 0.00 C ATOM 1360 C THR A 88 2.951 -9.429 9.279 1.00 0.00 C ATOM 1361 O THR A 88 3.885 -10.170 9.581 1.00 0.00 O ATOM 1362 CB THR A 88 1.697 -8.186 11.129 1.00 0.00 C ATOM 1363 OG1 THR A 88 2.306 -7.509 12.225 1.00 0.00 O ATOM 1364 CG2 THR A 88 1.496 -9.614 11.639 1.00 0.00 C ATOM 0 H THR A 88 1.364 -6.747 9.206 1.00 0.00 H new ATOM 0 HA THR A 88 3.703 -7.864 10.465 1.00 0.00 H new ATOM 0 HB THR A 88 0.747 -7.793 10.766 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.696 -7.513 12.992 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.745 -9.616 12.429 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.161 -10.249 10.819 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.438 -9.996 12.032 1.00 0.00 H new ATOM 1372 N TRP A 89 2.065 -9.688 8.328 1.00 0.00 N ATOM 1373 CA TRP A 89 2.141 -10.912 7.547 1.00 0.00 C ATOM 1374 C TRP A 89 3.558 -11.025 6.982 1.00 0.00 C ATOM 1375 O TRP A 89 4.218 -12.049 7.151 1.00 0.00 O ATOM 1376 CB TRP A 89 1.061 -10.939 6.464 1.00 0.00 C ATOM 1377 CG TRP A 89 1.287 -12.002 5.387 1.00 0.00 C ATOM 1378 CD1 TRP A 89 0.899 -13.285 5.401 1.00 0.00 C ATOM 1379 CD2 TRP A 89 1.972 -11.821 4.130 1.00 0.00 C ATOM 1380 NE1 TRP A 89 1.283 -13.941 4.249 1.00 0.00 N ATOM 1381 CE2 TRP A 89 1.956 -13.023 3.452 1.00 0.00 C ATOM 1382 CE3 TRP A 89 2.585 -10.680 3.584 1.00 0.00 C ATOM 1383 CZ2 TRP A 89 2.537 -13.199 2.190 1.00 0.00 C ATOM 1384 CZ3 TRP A 89 3.161 -10.872 2.323 1.00 0.00 C ATOM 1385 CH2 TRP A 89 3.154 -12.076 1.627 1.00 0.00 C ATOM 0 H TRP A 89 1.291 -9.072 8.081 1.00 0.00 H new ATOM 0 HA TRP A 89 1.946 -11.782 8.174 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.093 -11.113 6.934 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.013 -9.959 5.989 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.355 -13.747 6.211 1.00 0.00 H new ATOM 0 HE1 TRP A 89 1.105 -14.920 4.024 1.00 0.00 H new ATOM 0 HE3 TRP A 89 2.610 -9.730 4.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 2.510 -14.150 1.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 3.645 -10.026 1.858 1.00 0.00 H new ATOM 0 HH2 TRP A 89 3.623 -12.144 0.656 1.00 0.00 H new ATOM 1396 N ALA A 90 3.985 -9.957 6.323 1.00 0.00 N ATOM 1397 CA ALA A 90 5.312 -9.924 5.733 1.00 0.00 C ATOM 1398 C ALA A 90 6.362 -10.026 6.841 1.00 0.00 C ATOM 1399 O ALA A 90 7.292 -10.826 6.747 1.00 0.00 O ATOM 1400 CB ALA A 90 5.468 -8.651 4.898 1.00 0.00 C ATOM 0 H ALA A 90 3.435 -9.109 6.185 1.00 0.00 H new ATOM 0 HA ALA A 90 5.455 -10.773 5.064 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.464 -8.626 4.455 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.719 -8.641 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.333 -7.778 5.537 1.00 0.00 H new ATOM 1406 N LEU A 91 6.177 -9.206 7.864 1.00 0.00 N ATOM 1407 CA LEU A 91 7.097 -9.194 8.989 1.00 0.00 C ATOM 1408 C LEU A 91 7.263 -10.619 9.522 1.00 0.00 C ATOM 1409 O LEU A 91 8.358 -11.014 9.918 1.00 0.00 O ATOM 1410 CB LEU A 91 6.635 -8.191 10.049 1.00 0.00 C ATOM 1411 CG LEU A 91 7.466 -6.912 10.169 1.00 0.00 C ATOM 1412 CD1 LEU A 91 7.939 -6.434 8.795 1.00 0.00 C ATOM 1413 CD2 LEU A 91 6.694 -5.825 10.919 1.00 0.00 C ATOM 0 H LEU A 91 5.404 -8.545 7.938 1.00 0.00 H new ATOM 0 HA LEU A 91 8.083 -8.855 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.604 -7.912 9.832 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.632 -8.691 11.017 1.00 0.00 H new ATOM 0 HG LEU A 91 8.357 -7.138 10.755 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.527 -5.523 8.909 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.553 -7.207 8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.074 -6.231 8.163 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.307 -4.927 10.990 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.774 -5.595 10.381 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.450 -6.178 11.921 1.00 0.00 H new ATOM 1425 N ASP A 92 6.159 -11.351 9.514 1.00 0.00 N ATOM 1426 CA ASP A 92 6.168 -12.723 9.992 1.00 0.00 C ATOM 1427 C ASP A 92 6.622 -13.649 8.862 1.00 0.00 C ATOM 1428 O ASP A 92 5.974 -13.727 7.819 1.00 0.00 O ATOM 1429 CB ASP A 92 4.769 -13.164 10.430 1.00 0.00 C ATOM 1430 CG ASP A 92 4.631 -13.494 11.917 1.00 0.00 C ATOM 1431 OD1 ASP A 92 5.611 -14.039 12.471 1.00 0.00 O ATOM 1432 OD2 ASP A 92 3.550 -13.193 12.467 1.00 0.00 O ATOM 0 H ASP A 92 5.252 -11.020 9.184 1.00 0.00 H new ATOM 0 HA ASP A 92 6.847 -12.778 10.843 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.061 -12.373 10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.483 -14.042 9.850 1.00 0.00 H new ATOM 1437 N PRO A 93 7.763 -14.346 9.113 1.00 0.00 N ATOM 1438 CA PRO A 93 8.312 -15.263 8.129 1.00 0.00 C ATOM 1439 C PRO A 93 7.494 -16.556 8.068 1.00 0.00 C ATOM 1440 O PRO A 93 7.240 -17.083 6.987 1.00 0.00 O ATOM 1441 CB PRO A 93 9.750 -15.491 8.563 1.00 0.00 C ATOM 1442 CG PRO A 93 9.818 -15.066 10.021 1.00 0.00 C ATOM 1443 CD PRO A 93 8.557 -14.280 10.337 1.00 0.00 C ATOM 0 HA PRO A 93 8.274 -14.864 7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.031 -16.538 8.448 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.439 -14.907 7.953 1.00 0.00 H new ATOM 0 HG2 PRO A 93 9.896 -15.939 10.670 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.703 -14.455 10.200 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.021 -14.714 11.181 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.789 -13.249 10.603 1.00 0.00 H new ATOM 1451 N LYS A 94 7.106 -17.028 9.243 1.00 0.00 N ATOM 1452 CA LYS A 94 6.322 -18.248 9.337 1.00 0.00 C ATOM 1453 C LYS A 94 5.109 -18.143 8.411 1.00 0.00 C ATOM 1454 O LYS A 94 4.619 -19.153 7.907 1.00 0.00 O ATOM 1455 CB LYS A 94 5.959 -18.541 10.795 1.00 0.00 C ATOM 1456 CG LYS A 94 7.189 -18.992 11.586 1.00 0.00 C ATOM 1457 CD LYS A 94 7.792 -17.827 12.373 1.00 0.00 C ATOM 1458 CE LYS A 94 6.727 -17.132 13.225 1.00 0.00 C ATOM 1459 NZ LYS A 94 7.222 -16.923 14.604 1.00 0.00 N ATOM 0 H LYS A 94 7.320 -16.588 10.138 1.00 0.00 H new ATOM 0 HA LYS A 94 6.908 -19.103 9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.534 -17.648 11.254 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.193 -19.315 10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.912 -19.793 12.271 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.935 -19.400 10.904 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.594 -18.193 13.014 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.237 -17.109 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.463 -16.174 12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.819 -17.735 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.487 -16.451 15.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.451 -17.842 15.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.076 -16.329 14.580 1.00 0.00 H new ATOM 1516 N LEU A 99 -2.452 -15.297 1.384 1.00 0.00 N ATOM 1517 CA LEU A 99 -2.485 -13.911 1.819 1.00 0.00 C ATOM 1518 C LEU A 99 -3.337 -13.798 3.085 1.00 0.00 C ATOM 1519 O LEU A 99 -4.193 -14.644 3.339 1.00 0.00 O ATOM 1520 CB LEU A 99 -2.953 -13.003 0.680 1.00 0.00 C ATOM 1521 CG LEU A 99 -2.150 -13.089 -0.619 1.00 0.00 C ATOM 1522 CD1 LEU A 99 -3.015 -12.715 -1.824 1.00 0.00 C ATOM 1523 CD2 LEU A 99 -0.883 -12.236 -0.537 1.00 0.00 C ATOM 0 HA LEU A 99 -1.483 -13.569 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.993 -13.240 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.929 -11.971 1.031 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.834 -14.123 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.420 -12.784 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.861 -13.399 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.381 -11.695 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.330 -12.315 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.156 -11.195 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.259 -12.590 0.284 1.00 0.00 H new ATOM 1535 N PRO A 100 -3.065 -12.719 3.866 1.00 0.00 N ATOM 1536 CA PRO A 100 -3.797 -12.484 5.100 1.00 0.00 C ATOM 1537 C PRO A 100 -5.206 -11.964 4.811 1.00 0.00 C ATOM 1538 O PRO A 100 -5.521 -11.610 3.676 1.00 0.00 O ATOM 1539 CB PRO A 100 -2.946 -11.494 5.879 1.00 0.00 C ATOM 1540 CG PRO A 100 -2.011 -10.858 4.864 1.00 0.00 C ATOM 1541 CD PRO A 100 -2.058 -11.696 3.597 1.00 0.00 C ATOM 0 HA PRO A 100 -3.953 -13.395 5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.568 -10.741 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.384 -11.997 6.666 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.316 -9.833 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -0.995 -10.815 5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.330 -11.091 2.732 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.087 -12.143 3.382 1.00 0.00 H new ATOM 1549 N SER A 101 -6.017 -11.934 5.858 1.00 0.00 N ATOM 1550 CA SER A 101 -7.386 -11.462 5.731 1.00 0.00 C ATOM 1551 C SER A 101 -7.615 -10.264 6.654 1.00 0.00 C ATOM 1552 O SER A 101 -7.328 -10.332 7.849 1.00 0.00 O ATOM 1553 CB SER A 101 -8.384 -12.577 6.051 1.00 0.00 C ATOM 1554 OG SER A 101 -7.974 -13.831 5.513 1.00 0.00 O ATOM 0 H SER A 101 -5.753 -12.229 6.798 1.00 0.00 H new ATOM 0 HA SER A 101 -7.546 -11.152 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.495 -12.665 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.363 -12.313 5.651 1.00 0.00 H new ATOM 0 HG SER A 101 -8.636 -14.517 5.740 1.00 0.00 H new ATOM 1560 N SER A 102 -8.129 -9.194 6.066 1.00 0.00 N ATOM 1561 CA SER A 102 -8.399 -7.982 6.821 1.00 0.00 C ATOM 1562 C SER A 102 -9.676 -8.154 7.647 1.00 0.00 C ATOM 1563 O SER A 102 -10.707 -8.573 7.122 1.00 0.00 O ATOM 1564 CB SER A 102 -8.526 -6.772 5.894 1.00 0.00 C ATOM 1565 OG SER A 102 -9.270 -7.077 4.717 1.00 0.00 O ATOM 0 H SER A 102 -8.366 -9.141 5.075 1.00 0.00 H new ATOM 0 HA SER A 102 -7.560 -7.804 7.493 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.011 -5.955 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.532 -6.424 5.614 1.00 0.00 H new ATOM 0 HG SER A 102 -10.204 -7.254 4.957 1.00 0.00 H new ATOM 1571 N THR A 103 -9.565 -7.822 8.925 1.00 0.00 N ATOM 1572 CA THR A 103 -10.698 -7.935 9.828 1.00 0.00 C ATOM 1573 C THR A 103 -11.453 -6.606 9.904 1.00 0.00 C ATOM 1574 O THR A 103 -11.702 -6.091 10.993 1.00 0.00 O ATOM 1575 CB THR A 103 -10.176 -8.415 11.183 1.00 0.00 C ATOM 1576 OG1 THR A 103 -11.255 -8.164 12.080 1.00 0.00 O ATOM 1577 CG2 THR A 103 -9.038 -7.542 11.715 1.00 0.00 C ATOM 0 H THR A 103 -8.708 -7.475 9.356 1.00 0.00 H new ATOM 0 HA THR A 103 -11.422 -8.665 9.465 1.00 0.00 H new ATOM 0 HB THR A 103 -9.832 -9.445 11.095 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.287 -7.208 12.294 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.705 -7.926 12.679 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.207 -7.559 11.010 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.391 -6.518 11.835 1.00 0.00 H new ATOM 1585 N ARG A 104 -11.797 -6.090 8.733 1.00 0.00 N ATOM 1586 CA ARG A 104 -12.518 -4.831 8.653 1.00 0.00 C ATOM 1587 C ARG A 104 -12.893 -4.525 7.202 1.00 0.00 C ATOM 1588 O ARG A 104 -12.202 -4.948 6.276 1.00 0.00 O ATOM 1589 CB ARG A 104 -11.680 -3.679 9.210 1.00 0.00 C ATOM 1590 CG ARG A 104 -10.527 -3.333 8.266 1.00 0.00 C ATOM 1591 CD ARG A 104 -10.554 -1.851 7.887 1.00 0.00 C ATOM 1592 NE ARG A 104 -9.454 -1.134 8.571 1.00 0.00 N ATOM 1593 CZ ARG A 104 -9.543 -0.626 9.807 1.00 0.00 C ATOM 1594 NH1 ARG A 104 -10.681 -0.754 10.504 1.00 0.00 N ATOM 1595 NH2 ARG A 104 -8.495 0.009 10.348 1.00 0.00 N ATOM 0 H ARG A 104 -11.590 -6.521 7.832 1.00 0.00 H new ATOM 0 HA ARG A 104 -13.423 -4.929 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.311 -2.802 9.355 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.284 -3.952 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.577 -3.573 8.744 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.594 -3.944 7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.455 -1.741 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.513 -1.413 8.165 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.573 -1.020 8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.479 -1.238 10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.749 -0.367 11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.629 0.106 9.819 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.563 0.396 11.289 1.00 0.00 H new ATOM 1609 N THR A 105 -13.986 -3.793 7.048 1.00 0.00 N ATOM 1610 CA THR A 105 -14.461 -3.425 5.725 1.00 0.00 C ATOM 1611 C THR A 105 -14.410 -1.907 5.542 1.00 0.00 C ATOM 1612 O THR A 105 -14.864 -1.159 6.406 1.00 0.00 O ATOM 1613 CB THR A 105 -15.863 -4.012 5.546 1.00 0.00 C ATOM 1614 OG1 THR A 105 -15.695 -5.401 5.818 1.00 0.00 O ATOM 1615 CG2 THR A 105 -16.333 -3.971 4.090 1.00 0.00 C ATOM 0 H THR A 105 -14.557 -3.444 7.818 1.00 0.00 H new ATOM 0 HA THR A 105 -13.819 -3.836 4.946 1.00 0.00 H new ATOM 0 HB THR A 105 -16.569 -3.464 6.171 1.00 0.00 H new ATOM 0 HG1 THR A 105 -16.557 -5.859 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 105 -17.333 -4.399 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 105 -16.355 -2.938 3.744 1.00 0.00 H new ATOM 0 HG23 THR A 105 -15.646 -4.547 3.470 1.00 0.00 H new ATOM 1623 N VAL A 106 -13.853 -1.498 4.412 1.00 0.00 N ATOM 1624 CA VAL A 106 -13.736 -0.082 4.105 1.00 0.00 C ATOM 1625 C VAL A 106 -14.236 0.169 2.681 1.00 0.00 C ATOM 1626 O VAL A 106 -14.156 -0.712 1.827 1.00 0.00 O ATOM 1627 CB VAL A 106 -12.295 0.384 4.325 1.00 0.00 C ATOM 1628 CG1 VAL A 106 -12.079 1.786 3.752 1.00 0.00 C ATOM 1629 CG2 VAL A 106 -11.922 0.334 5.808 1.00 0.00 C ATOM 0 H VAL A 106 -13.478 -2.122 3.698 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.359 0.508 4.777 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.636 -0.301 3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.047 2.093 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.284 1.777 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.752 2.488 4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.893 0.670 5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.589 0.985 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.018 -0.689 6.173 1.00 0.00 H new ATOM 1639 N LYS A 107 -14.740 1.376 2.470 1.00 0.00 N ATOM 1640 CA LYS A 107 -15.252 1.755 1.164 1.00 0.00 C ATOM 1641 C LYS A 107 -14.917 3.223 0.895 1.00 0.00 C ATOM 1642 O LYS A 107 -14.692 3.993 1.828 1.00 0.00 O ATOM 1643 CB LYS A 107 -16.745 1.437 1.062 1.00 0.00 C ATOM 1644 CG LYS A 107 -17.141 1.122 -0.382 1.00 0.00 C ATOM 1645 CD LYS A 107 -18.487 1.759 -0.733 1.00 0.00 C ATOM 1646 CE LYS A 107 -18.302 3.197 -1.222 1.00 0.00 C ATOM 1647 NZ LYS A 107 -19.611 3.804 -1.554 1.00 0.00 N ATOM 0 H LYS A 107 -14.805 2.104 3.181 1.00 0.00 H new ATOM 0 HA LYS A 107 -14.770 1.169 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -16.984 0.588 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -17.327 2.284 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.372 1.489 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -17.199 0.042 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -18.982 1.170 -1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -19.137 1.749 0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -17.805 3.788 -0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -17.656 3.209 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -19.467 4.780 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -20.071 3.249 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -20.215 3.810 -0.708 1.00 0.00 H new ATOM 1661 N ALA A 108 -14.893 3.567 -0.384 1.00 0.00 N ATOM 1662 CA ALA A 108 -14.588 4.929 -0.787 1.00 0.00 C ATOM 1663 C ALA A 108 -15.879 5.630 -1.217 1.00 0.00 C ATOM 1664 O ALA A 108 -16.483 5.263 -2.223 1.00 0.00 O ATOM 1665 CB ALA A 108 -13.538 4.910 -1.900 1.00 0.00 C ATOM 0 H ALA A 108 -15.080 2.926 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 108 -14.169 5.491 0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -13.309 5.932 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -12.631 4.428 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -13.925 4.357 -2.756 1.00 0.00 H new ATOM 1671 N LEU A 109 -16.262 6.626 -0.432 1.00 0.00 N ATOM 1672 CA LEU A 109 -17.470 7.382 -0.718 1.00 0.00 C ATOM 1673 C LEU A 109 -17.089 8.728 -1.337 1.00 0.00 C ATOM 1674 O LEU A 109 -17.899 9.351 -2.023 1.00 0.00 O ATOM 1675 CB LEU A 109 -18.335 7.505 0.538 1.00 0.00 C ATOM 1676 CG LEU A 109 -18.291 6.318 1.502 1.00 0.00 C ATOM 1677 CD1 LEU A 109 -17.495 6.664 2.762 1.00 0.00 C ATOM 1678 CD2 LEU A 109 -19.702 5.828 1.833 1.00 0.00 C ATOM 0 H LEU A 109 -15.758 6.927 0.402 1.00 0.00 H new ATOM 0 HA LEU A 109 -18.084 6.857 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -18.028 8.399 1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -19.369 7.659 0.229 1.00 0.00 H new ATOM 0 HG LEU A 109 -17.772 5.496 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -17.479 5.803 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -16.474 6.928 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -17.964 7.508 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -19.642 4.984 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -20.268 6.635 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -20.203 5.515 0.917 1.00 0.00 H new ATOM 1690 N THR A 110 -15.857 9.137 -1.074 1.00 0.00 N ATOM 1691 CA THR A 110 -15.359 10.398 -1.597 1.00 0.00 C ATOM 1692 C THR A 110 -13.944 10.224 -2.152 1.00 0.00 C ATOM 1693 O THR A 110 -13.199 9.355 -1.701 1.00 0.00 O ATOM 1694 CB THR A 110 -15.450 11.441 -0.482 1.00 0.00 C ATOM 1695 OG1 THR A 110 -14.909 12.623 -1.067 1.00 0.00 O ATOM 1696 CG2 THR A 110 -14.507 11.137 0.684 1.00 0.00 C ATOM 0 H THR A 110 -15.188 8.617 -0.505 1.00 0.00 H new ATOM 0 HA THR A 110 -15.963 10.744 -2.436 1.00 0.00 H new ATOM 0 HB THR A 110 -16.475 11.491 -0.115 1.00 0.00 H new ATOM 0 HG1 THR A 110 -14.931 13.352 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 110 -14.612 11.908 1.447 1.00 0.00 H new ATOM 0 HG22 THR A 110 -14.758 10.166 1.112 1.00 0.00 H new ATOM 0 HG23 THR A 110 -13.478 11.120 0.325 1.00 0.00 H new ATOM 1704 N GLU A 111 -13.616 11.064 -3.123 1.00 0.00 N ATOM 1705 CA GLU A 111 -12.304 11.014 -3.744 1.00 0.00 C ATOM 1706 C GLU A 111 -11.231 10.717 -2.695 1.00 0.00 C ATOM 1707 O GLU A 111 -11.017 11.510 -1.779 1.00 0.00 O ATOM 1708 CB GLU A 111 -11.998 12.316 -4.487 1.00 0.00 C ATOM 1709 CG GLU A 111 -11.289 12.037 -5.813 1.00 0.00 C ATOM 1710 CD GLU A 111 -11.118 13.323 -6.625 1.00 0.00 C ATOM 1711 OE1 GLU A 111 -10.093 14.003 -6.400 1.00 0.00 O ATOM 1712 OE2 GLU A 111 -12.015 13.596 -7.451 1.00 0.00 O ATOM 0 H GLU A 111 -14.237 11.783 -3.495 1.00 0.00 H new ATOM 0 HA GLU A 111 -12.302 10.207 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.925 12.859 -4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.373 12.956 -3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.313 11.592 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.862 11.312 -6.390 1.00 0.00 H new ATOM 1719 N VAL A 112 -10.584 9.572 -2.863 1.00 0.00 N ATOM 1720 CA VAL A 112 -9.539 9.161 -1.941 1.00 0.00 C ATOM 1721 C VAL A 112 -8.174 9.357 -2.605 1.00 0.00 C ATOM 1722 O VAL A 112 -8.068 9.344 -3.830 1.00 0.00 O ATOM 1723 CB VAL A 112 -9.780 7.721 -1.485 1.00 0.00 C ATOM 1724 CG1 VAL A 112 -8.927 7.383 -0.261 1.00 0.00 C ATOM 1725 CG2 VAL A 112 -11.264 7.476 -1.204 1.00 0.00 C ATOM 0 H VAL A 112 -10.764 8.917 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.557 9.779 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.479 7.058 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.118 6.354 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.872 7.499 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.183 8.056 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.408 6.445 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.602 8.152 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.841 7.656 -2.111 1.00 0.00 H new ATOM 1735 N GLU A 113 -7.164 9.535 -1.766 1.00 0.00 N ATOM 1736 CA GLU A 113 -5.810 9.734 -2.256 1.00 0.00 C ATOM 1737 C GLU A 113 -4.807 9.018 -1.349 1.00 0.00 C ATOM 1738 O GLU A 113 -4.550 9.460 -0.231 1.00 0.00 O ATOM 1739 CB GLU A 113 -5.481 11.224 -2.368 1.00 0.00 C ATOM 1740 CG GLU A 113 -5.886 11.773 -3.738 1.00 0.00 C ATOM 1741 CD GLU A 113 -4.666 11.929 -4.648 1.00 0.00 C ATOM 1742 OE1 GLU A 113 -3.867 10.968 -4.696 1.00 0.00 O ATOM 1743 OE2 GLU A 113 -4.559 13.005 -5.275 1.00 0.00 O ATOM 0 H GLU A 113 -7.256 9.546 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.739 9.304 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.000 11.775 -1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.413 11.377 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.608 11.102 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.379 12.737 -3.616 1.00 0.00 H new ATOM 1750 N ALA A 114 -4.268 7.923 -1.866 1.00 0.00 N ATOM 1751 CA ALA A 114 -3.299 7.141 -1.117 1.00 0.00 C ATOM 1752 C ALA A 114 -2.499 6.267 -2.085 1.00 0.00 C ATOM 1753 O ALA A 114 -2.788 6.232 -3.280 1.00 0.00 O ATOM 1754 CB ALA A 114 -4.022 6.318 -0.050 1.00 0.00 C ATOM 0 H ALA A 114 -4.484 7.559 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.594 7.794 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.295 5.731 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.551 6.987 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.736 5.648 -0.529 1.00 0.00 H new ATOM 1760 N PHE A 115 -1.508 5.582 -1.532 1.00 0.00 N ATOM 1761 CA PHE A 115 -0.664 4.710 -2.331 1.00 0.00 C ATOM 1762 C PHE A 115 -0.958 3.239 -2.033 1.00 0.00 C ATOM 1763 O PHE A 115 -1.678 2.925 -1.086 1.00 0.00 O ATOM 1764 CB PHE A 115 0.785 5.016 -1.948 1.00 0.00 C ATOM 1765 CG PHE A 115 1.277 6.387 -2.417 1.00 0.00 C ATOM 1766 CD1 PHE A 115 1.562 6.594 -3.731 1.00 0.00 C ATOM 1767 CD2 PHE A 115 1.429 7.398 -1.521 1.00 0.00 C ATOM 1768 CE1 PHE A 115 2.018 7.866 -4.166 1.00 0.00 C ATOM 1769 CE2 PHE A 115 1.885 8.670 -1.956 1.00 0.00 C ATOM 1770 CZ PHE A 115 2.170 8.877 -3.270 1.00 0.00 C ATOM 0 H PHE A 115 -1.271 5.613 -0.540 1.00 0.00 H new ATOM 0 HA PHE A 115 -0.850 4.882 -3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.884 4.957 -0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.432 4.246 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.441 5.791 -4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.203 7.233 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 115 2.244 8.031 -5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.006 9.473 -1.244 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.517 9.845 -3.601 1.00 0.00 H new ATOM 1780 N ALA A 116 -0.387 2.375 -2.860 1.00 0.00 N ATOM 1781 CA ALA A 116 -0.579 0.944 -2.696 1.00 0.00 C ATOM 1782 C ALA A 116 0.729 0.309 -2.219 1.00 0.00 C ATOM 1783 O ALA A 116 1.777 0.953 -2.234 1.00 0.00 O ATOM 1784 CB ALA A 116 -1.073 0.341 -4.013 1.00 0.00 C ATOM 0 H ALA A 116 0.208 2.638 -3.645 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.338 0.743 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.217 -0.732 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.019 0.804 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.335 0.521 -4.795 1.00 0.00 H new ATOM 1790 N LEU A 117 0.624 -0.945 -1.806 1.00 0.00 N ATOM 1791 CA LEU A 117 1.786 -1.674 -1.324 1.00 0.00 C ATOM 1792 C LEU A 117 1.534 -3.176 -1.466 1.00 0.00 C ATOM 1793 O LEU A 117 0.592 -3.709 -0.882 1.00 0.00 O ATOM 1794 CB LEU A 117 2.137 -1.240 0.100 1.00 0.00 C ATOM 1795 CG LEU A 117 3.627 -1.232 0.451 1.00 0.00 C ATOM 1796 CD1 LEU A 117 4.313 -2.508 -0.042 1.00 0.00 C ATOM 1797 CD2 LEU A 117 4.309 0.028 -0.084 1.00 0.00 C ATOM 0 H LEU A 117 -0.247 -1.475 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 117 2.662 -1.439 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 117 1.741 -0.237 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.623 -1.902 0.797 1.00 0.00 H new ATOM 0 HG LEU A 117 3.722 -1.214 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.371 -2.477 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.848 -3.375 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.209 -2.582 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.367 0.009 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.205 0.065 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.842 0.909 0.356 1.00 0.00 H new ATOM 1809 N ILE A 118 2.394 -3.817 -2.244 1.00 0.00 N ATOM 1810 CA ILE A 118 2.277 -5.247 -2.470 1.00 0.00 C ATOM 1811 C ILE A 118 2.955 -5.997 -1.322 1.00 0.00 C ATOM 1812 O ILE A 118 3.983 -5.557 -0.810 1.00 0.00 O ATOM 1813 CB ILE A 118 2.819 -5.618 -3.852 1.00 0.00 C ATOM 1814 CG1 ILE A 118 2.890 -7.137 -4.023 1.00 0.00 C ATOM 1815 CG2 ILE A 118 4.170 -4.948 -4.108 1.00 0.00 C ATOM 1816 CD1 ILE A 118 3.148 -7.512 -5.484 1.00 0.00 C ATOM 0 H ILE A 118 3.175 -3.372 -2.726 1.00 0.00 H new ATOM 0 HA ILE A 118 1.229 -5.547 -2.473 1.00 0.00 H new ATOM 0 HB ILE A 118 2.126 -5.242 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 118 3.684 -7.541 -3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 118 1.957 -7.589 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 118 4.533 -5.228 -5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 118 4.055 -3.865 -4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.886 -5.273 -3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 118 3.194 -8.597 -5.578 1.00 0.00 H new ATOM 0 HD12 ILE A 118 2.340 -7.128 -6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.094 -7.079 -5.809 1.00 0.00 H new ATOM 1828 N ALA A 119 2.352 -7.117 -0.951 1.00 0.00 N ATOM 1829 CA ALA A 119 2.884 -7.932 0.128 1.00 0.00 C ATOM 1830 C ALA A 119 4.248 -8.489 -0.286 1.00 0.00 C ATOM 1831 O ALA A 119 5.225 -8.361 0.451 1.00 0.00 O ATOM 1832 CB ALA A 119 1.884 -9.037 0.475 1.00 0.00 C ATOM 0 H ALA A 119 1.500 -7.479 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 119 3.031 -7.332 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.283 -9.648 1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.941 -8.589 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.714 -9.662 -0.402 1.00 0.00 H new ATOM 1838 N ASP A 120 4.271 -9.097 -1.463 1.00 0.00 N ATOM 1839 CA ASP A 120 5.499 -9.674 -1.984 1.00 0.00 C ATOM 1840 C ASP A 120 6.669 -8.738 -1.673 1.00 0.00 C ATOM 1841 O ASP A 120 7.518 -9.055 -0.842 1.00 0.00 O ATOM 1842 CB ASP A 120 5.424 -9.850 -3.501 1.00 0.00 C ATOM 1843 CG ASP A 120 5.468 -11.301 -3.987 1.00 0.00 C ATOM 1844 OD1 ASP A 120 5.954 -12.146 -3.205 1.00 0.00 O ATOM 1845 OD2 ASP A 120 5.015 -11.531 -5.129 1.00 0.00 O ATOM 0 H ASP A 120 3.459 -9.203 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 120 5.640 -10.648 -1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 120 4.503 -9.390 -3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.251 -9.305 -3.956 1.00 0.00 H new ATOM 1850 N GLU A 121 6.675 -7.604 -2.358 1.00 0.00 N ATOM 1851 CA GLU A 121 7.727 -6.620 -2.165 1.00 0.00 C ATOM 1852 C GLU A 121 7.941 -6.356 -0.674 1.00 0.00 C ATOM 1853 O GLU A 121 9.077 -6.223 -0.220 1.00 0.00 O ATOM 1854 CB GLU A 121 7.407 -5.322 -2.911 1.00 0.00 C ATOM 1855 CG GLU A 121 7.297 -5.568 -4.417 1.00 0.00 C ATOM 1856 CD GLU A 121 8.673 -5.509 -5.084 1.00 0.00 C ATOM 1857 OE1 GLU A 121 9.598 -6.144 -4.534 1.00 0.00 O ATOM 1858 OE2 GLU A 121 8.768 -4.830 -6.129 1.00 0.00 O ATOM 0 H GLU A 121 5.969 -7.345 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 121 8.652 -7.021 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.472 -4.905 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.185 -4.584 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.843 -6.542 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.640 -4.822 -4.864 1.00 0.00 H new ATOM 1865 N LEU A 122 6.832 -6.289 0.048 1.00 0.00 N ATOM 1866 CA LEU A 122 6.885 -6.044 1.479 1.00 0.00 C ATOM 1867 C LEU A 122 7.721 -7.136 2.149 1.00 0.00 C ATOM 1868 O LEU A 122 8.754 -6.850 2.752 1.00 0.00 O ATOM 1869 CB LEU A 122 5.472 -5.913 2.052 1.00 0.00 C ATOM 1870 CG LEU A 122 5.280 -4.836 3.122 1.00 0.00 C ATOM 1871 CD1 LEU A 122 3.847 -4.847 3.660 1.00 0.00 C ATOM 1872 CD2 LEU A 122 6.313 -4.984 4.241 1.00 0.00 C ATOM 0 H LEU A 122 5.892 -6.400 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 122 7.378 -5.094 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 122 4.786 -5.708 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 122 5.183 -6.874 2.476 1.00 0.00 H new ATOM 0 HG LEU A 122 5.443 -3.863 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.737 -4.072 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.150 -4.657 2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.631 -5.820 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 122 6.154 -4.206 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.206 -5.963 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 122 7.316 -4.888 3.825 1.00 0.00 H new ATOM 1884 N LYS A 123 7.243 -8.365 2.021 1.00 0.00 N ATOM 1885 CA LYS A 123 7.934 -9.502 2.606 1.00 0.00 C ATOM 1886 C LYS A 123 9.408 -9.462 2.199 1.00 0.00 C ATOM 1887 O LYS A 123 10.293 -9.605 3.042 1.00 0.00 O ATOM 1888 CB LYS A 123 7.228 -10.807 2.234 1.00 0.00 C ATOM 1889 CG LYS A 123 7.500 -11.894 3.276 1.00 0.00 C ATOM 1890 CD LYS A 123 6.200 -12.570 3.716 1.00 0.00 C ATOM 1891 CE LYS A 123 6.092 -13.982 3.137 1.00 0.00 C ATOM 1892 NZ LYS A 123 6.909 -14.929 3.927 1.00 0.00 N ATOM 0 H LYS A 123 6.385 -8.599 1.521 1.00 0.00 H new ATOM 0 HA LYS A 123 7.902 -9.449 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.155 -10.634 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.570 -11.143 1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.179 -12.639 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.998 -11.457 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.160 -12.616 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 123 5.348 -11.974 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 123 5.050 -14.303 3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 123 6.425 -13.983 2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 6.825 -15.883 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.905 -14.630 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 6.572 -14.941 4.911 1.00 0.00 H new ATOM 1906 N PHE A 124 9.627 -9.267 0.907 1.00 0.00 N ATOM 1907 CA PHE A 124 10.979 -9.207 0.378 1.00 0.00 C ATOM 1908 C PHE A 124 11.831 -8.207 1.163 1.00 0.00 C ATOM 1909 O PHE A 124 12.720 -8.601 1.917 1.00 0.00 O ATOM 1910 CB PHE A 124 10.871 -8.737 -1.074 1.00 0.00 C ATOM 1911 CG PHE A 124 12.219 -8.447 -1.736 1.00 0.00 C ATOM 1912 CD1 PHE A 124 12.890 -9.441 -2.378 1.00 0.00 C ATOM 1913 CD2 PHE A 124 12.748 -7.195 -1.684 1.00 0.00 C ATOM 1914 CE1 PHE A 124 14.141 -9.172 -2.992 1.00 0.00 C ATOM 1915 CE2 PHE A 124 13.999 -6.925 -2.298 1.00 0.00 C ATOM 1916 CZ PHE A 124 14.670 -7.920 -2.940 1.00 0.00 C ATOM 0 H PHE A 124 8.891 -9.149 0.211 1.00 0.00 H new ATOM 0 HA PHE A 124 11.452 -10.186 0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.349 -9.499 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 124 10.259 -7.835 -1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.471 -10.435 -2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 124 12.216 -6.405 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 124 14.673 -9.962 -3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 124 14.418 -5.931 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 124 15.622 -7.716 -3.408 1.00 0.00 H new ATOM 1926 N VAL A 125 11.529 -6.933 0.960 1.00 0.00 N ATOM 1927 CA VAL A 125 12.256 -5.875 1.639 1.00 0.00 C ATOM 1928 C VAL A 125 12.353 -6.204 3.130 1.00 0.00 C ATOM 1929 O VAL A 125 13.312 -5.814 3.795 1.00 0.00 O ATOM 1930 CB VAL A 125 11.590 -4.524 1.367 1.00 0.00 C ATOM 1931 CG1 VAL A 125 10.535 -4.210 2.430 1.00 0.00 C ATOM 1932 CG2 VAL A 125 12.631 -3.407 1.280 1.00 0.00 C ATOM 0 H VAL A 125 10.791 -6.610 0.335 1.00 0.00 H new ATOM 0 HA VAL A 125 13.274 -5.804 1.255 1.00 0.00 H new ATOM 0 HB VAL A 125 11.086 -4.587 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.077 -3.245 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 125 9.769 -4.985 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 125 11.007 -4.176 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 125 12.131 -2.458 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 125 13.177 -3.344 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 125 13.328 -3.622 0.470 1.00 0.00 H new ATOM 1942 N ALA A 126 11.347 -6.919 3.612 1.00 0.00 N ATOM 1943 CA ALA A 126 11.307 -7.305 5.012 1.00 0.00 C ATOM 1944 C ALA A 126 12.380 -8.363 5.276 1.00 0.00 C ATOM 1945 O ALA A 126 13.199 -8.209 6.181 1.00 0.00 O ATOM 1946 CB ALA A 126 9.902 -7.798 5.366 1.00 0.00 C ATOM 0 H ALA A 126 10.554 -7.241 3.058 1.00 0.00 H new ATOM 0 HA ALA A 126 11.523 -6.450 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 126 9.872 -8.088 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 126 9.181 -7.000 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 126 9.651 -8.658 4.745 1.00 0.00 H new ATOM 1952 N SER A 127 12.341 -9.413 4.470 1.00 0.00 N ATOM 1953 CA SER A 127 13.299 -10.497 4.605 1.00 0.00 C ATOM 1954 C SER A 127 14.699 -10.007 4.227 1.00 0.00 C ATOM 1955 O SER A 127 15.645 -10.169 4.996 1.00 0.00 O ATOM 1956 CB SER A 127 12.904 -11.694 3.738 1.00 0.00 C ATOM 1957 OG SER A 127 12.951 -12.918 4.465 1.00 0.00 O ATOM 0 H SER A 127 11.660 -9.537 3.720 1.00 0.00 H new ATOM 0 HA SER A 127 13.302 -10.823 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 127 11.898 -11.543 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 127 13.573 -11.756 2.880 1.00 0.00 H new ATOM 0 HG SER A 127 12.691 -13.658 3.877 1.00 0.00 H new