USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 537 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 39 GLN : amide:sc= 0 X(o=-0.015,f=-0.044) USER MOD Set 1.2: A 89 MET CE :methyl 138:sc= -0.0155 (180deg=-0.506) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -1.08 K(o=-1.1,f=-9.4!) USER MOD Single : A 21 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.4!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -60:sc= 0.932 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 160:sc= -0.209 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.452 K(o=-0.45,f=-0.99) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 157:sc= -0.843 (180deg=-1.22) USER MOD Single : A 86 MET CE :methyl -105:sc= -0.38 (180deg=-2.07) USER MOD Single : A 87 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.062) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N VAL A 9 -6.039 13.667 -0.421 1.00 0.00 N ATOM 127 CA VAL A 9 -5.379 12.435 0.002 1.00 0.00 C ATOM 128 C VAL A 9 -5.290 12.356 1.521 1.00 0.00 C ATOM 129 O VAL A 9 -5.270 13.375 2.210 1.00 0.00 O ATOM 130 CB VAL A 9 -3.958 12.313 -0.592 1.00 0.00 C ATOM 131 CG1 VAL A 9 -3.126 13.537 -0.243 1.00 0.00 C ATOM 132 CG2 VAL A 9 -3.272 11.041 -0.103 1.00 0.00 C ATOM 0 HA VAL A 9 -5.987 11.611 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.047 12.255 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.129 13.433 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.603 14.429 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.049 13.628 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.273 10.977 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.197 11.063 0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.855 10.172 -0.409 1.00 0.00 H new ATOM 142 N GLY A 10 -5.232 11.132 2.032 1.00 0.00 N ATOM 143 CA GLY A 10 -5.116 10.925 3.458 1.00 0.00 C ATOM 144 C GLY A 10 -3.675 10.697 3.873 1.00 0.00 C ATOM 145 O GLY A 10 -3.264 11.082 4.968 1.00 0.00 O ATOM 0 H GLY A 10 -5.264 10.276 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.515 11.791 3.986 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.720 10.067 3.752 1.00 0.00 H new ATOM 149 N TRP A 11 -2.904 10.088 2.976 1.00 0.00 N ATOM 150 CA TRP A 11 -1.493 9.813 3.226 1.00 0.00 C ATOM 151 C TRP A 11 -0.630 11.002 2.804 1.00 0.00 C ATOM 152 O TRP A 11 -0.992 11.756 1.901 1.00 0.00 O ATOM 153 CB TRP A 11 -1.072 8.538 2.476 1.00 0.00 C ATOM 154 CG TRP A 11 0.413 8.364 2.326 1.00 0.00 C ATOM 155 CD1 TRP A 11 1.214 7.513 3.032 1.00 0.00 C ATOM 156 CD2 TRP A 11 1.268 9.046 1.402 1.00 0.00 C ATOM 157 NE1 TRP A 11 2.515 7.629 2.608 1.00 0.00 N ATOM 158 CE2 TRP A 11 2.575 8.564 1.608 1.00 0.00 C ATOM 159 CE3 TRP A 11 1.058 10.021 0.422 1.00 0.00 C ATOM 160 CZ2 TRP A 11 3.663 9.023 0.871 1.00 0.00 C ATOM 161 CZ3 TRP A 11 2.140 10.476 -0.309 1.00 0.00 C ATOM 162 CH2 TRP A 11 3.428 9.977 -0.081 1.00 0.00 C ATOM 0 H TRP A 11 -3.236 9.774 2.064 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.346 9.656 4.295 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.475 7.673 3.002 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -1.526 8.548 1.485 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.874 6.846 3.810 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.308 7.104 2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.068 10.412 0.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.658 8.640 1.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.989 11.229 -1.068 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.253 10.353 -0.668 1.00 0.00 H new ATOM 173 N ASP A 12 0.512 11.162 3.466 1.00 0.00 N ATOM 174 CA ASP A 12 1.427 12.254 3.156 1.00 0.00 C ATOM 175 C ASP A 12 2.873 11.856 3.447 1.00 0.00 C ATOM 176 O ASP A 12 3.135 11.082 4.367 1.00 0.00 O ATOM 177 CB ASP A 12 1.057 13.501 3.963 1.00 0.00 C ATOM 178 CG ASP A 12 0.942 14.738 3.095 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.292 14.659 2.031 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.500 15.787 3.479 1.00 0.00 O ATOM 0 H ASP A 12 0.825 10.550 4.219 1.00 0.00 H new ATOM 0 HA ASP A 12 1.339 12.477 2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.110 13.331 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.810 13.669 4.733 1.00 0.00 H new ATOM 185 N PRO A 13 3.835 12.388 2.670 1.00 0.00 N ATOM 186 CA PRO A 13 5.259 12.085 2.854 1.00 0.00 C ATOM 187 C PRO A 13 5.785 12.571 4.202 1.00 0.00 C ATOM 188 O PRO A 13 6.594 13.497 4.265 1.00 0.00 O ATOM 189 CB PRO A 13 5.951 12.841 1.713 1.00 0.00 C ATOM 190 CG PRO A 13 4.869 13.171 0.741 1.00 0.00 C ATOM 191 CD PRO A 13 3.613 13.315 1.548 1.00 0.00 C ATOM 0 HA PRO A 13 5.443 11.011 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.438 13.744 2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.723 12.228 1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.095 14.093 0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.764 12.385 -0.006 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.469 14.339 1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.729 13.046 0.970 1.00 0.00 H new ATOM 199 N GLN A 14 5.325 11.941 5.277 1.00 0.00 N ATOM 200 CA GLN A 14 5.752 12.314 6.620 1.00 0.00 C ATOM 201 C GLN A 14 5.503 11.179 7.607 1.00 0.00 C ATOM 202 O GLN A 14 6.442 10.543 8.086 1.00 0.00 O ATOM 203 CB GLN A 14 5.018 13.577 7.078 1.00 0.00 C ATOM 204 CG GLN A 14 5.838 14.847 6.919 1.00 0.00 C ATOM 205 CD GLN A 14 5.168 15.866 6.017 1.00 0.00 C ATOM 206 OE1 GLN A 14 4.013 16.235 6.230 1.00 0.00 O ATOM 207 NE2 GLN A 14 5.892 16.327 5.004 1.00 0.00 N ATOM 0 H GLN A 14 4.657 11.171 5.245 1.00 0.00 H new ATOM 0 HA GLN A 14 6.823 12.515 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.094 13.677 6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.737 13.464 8.125 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.007 15.291 7.900 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.817 14.594 6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.846 15.993 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.494 17.015 4.365 1.00 0.00 H new ATOM 216 N ASN A 15 4.233 10.929 7.909 1.00 0.00 N ATOM 217 CA ASN A 15 3.864 9.868 8.838 1.00 0.00 C ATOM 218 C ASN A 15 3.944 8.503 8.165 1.00 0.00 C ATOM 219 O ASN A 15 4.825 7.699 8.470 1.00 0.00 O ATOM 220 CB ASN A 15 2.451 10.101 9.378 1.00 0.00 C ATOM 221 CG ASN A 15 2.428 11.071 10.542 1.00 0.00 C ATOM 222 OD1 ASN A 15 2.449 10.666 11.704 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.385 12.363 10.235 1.00 0.00 N ATOM 0 H ASN A 15 3.443 11.447 7.524 1.00 0.00 H new ATOM 0 HA ASN A 15 4.570 9.886 9.668 1.00 0.00 H new ATOM 0 HB2 ASN A 15 1.818 10.484 8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.025 9.149 9.694 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.368 13.063 10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.369 12.655 9.258 1.00 0.00 H new ATOM 230 N GLY A 16 3.017 8.246 7.247 1.00 0.00 N ATOM 231 CA GLY A 16 3.000 6.977 6.546 1.00 0.00 C ATOM 232 C GLY A 16 1.659 6.277 6.648 1.00 0.00 C ATOM 233 O GLY A 16 0.653 6.771 6.139 1.00 0.00 O ATOM 0 H GLY A 16 2.278 8.895 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.241 7.142 5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.776 6.330 6.954 1.00 0.00 H new ATOM 237 N PHE A 17 1.646 5.123 7.307 1.00 0.00 N ATOM 238 CA PHE A 17 0.419 4.353 7.476 1.00 0.00 C ATOM 239 C PHE A 17 -0.140 4.522 8.884 1.00 0.00 C ATOM 240 O PHE A 17 0.577 4.361 9.871 1.00 0.00 O ATOM 241 CB PHE A 17 0.683 2.872 7.196 1.00 0.00 C ATOM 242 CG PHE A 17 0.429 2.474 5.770 1.00 0.00 C ATOM 243 CD1 PHE A 17 -0.835 2.079 5.362 1.00 0.00 C ATOM 244 CD2 PHE A 17 1.455 2.490 4.839 1.00 0.00 C ATOM 245 CE1 PHE A 17 -1.072 1.710 4.052 1.00 0.00 C ATOM 246 CE2 PHE A 17 1.225 2.122 3.527 1.00 0.00 C ATOM 247 CZ PHE A 17 -0.040 1.731 3.133 1.00 0.00 C ATOM 0 H PHE A 17 2.471 4.701 7.733 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.317 4.727 6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.718 2.642 7.450 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.053 2.269 7.850 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.644 2.059 6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.446 2.794 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.062 1.406 3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.033 2.140 2.811 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.222 1.442 2.108 1.00 0.00 H new ATOM 257 N ASP A 18 -1.426 4.846 8.971 1.00 0.00 N ATOM 258 CA ASP A 18 -2.081 5.032 10.260 1.00 0.00 C ATOM 259 C ASP A 18 -2.788 3.755 10.700 1.00 0.00 C ATOM 260 O ASP A 18 -4.016 3.703 10.765 1.00 0.00 O ATOM 261 CB ASP A 18 -3.086 6.183 10.182 1.00 0.00 C ATOM 262 CG ASP A 18 -2.542 7.467 10.779 1.00 0.00 C ATOM 263 OD1 ASP A 18 -1.434 7.883 10.381 1.00 0.00 O ATOM 264 OD2 ASP A 18 -3.224 8.056 11.643 1.00 0.00 O ATOM 0 H ASP A 18 -2.035 4.985 8.164 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.316 5.275 10.997 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.356 6.356 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.999 5.900 10.706 1.00 0.00 H new ATOM 269 N VAL A 19 -2.004 2.725 11.002 1.00 0.00 N ATOM 270 CA VAL A 19 -2.554 1.446 11.434 1.00 0.00 C ATOM 271 C VAL A 19 -3.459 1.618 12.649 1.00 0.00 C ATOM 272 O VAL A 19 -4.519 0.997 12.738 1.00 0.00 O ATOM 273 CB VAL A 19 -1.437 0.444 11.777 1.00 0.00 C ATOM 274 CG1 VAL A 19 -0.652 0.071 10.529 1.00 0.00 C ATOM 275 CG2 VAL A 19 -0.517 1.015 12.845 1.00 0.00 C ATOM 0 H VAL A 19 -0.985 2.752 10.955 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.140 1.056 10.602 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.896 -0.462 12.173 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.133 -0.638 10.791 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.323 -0.384 9.800 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.203 0.967 10.100 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.266 0.293 13.075 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.065 1.937 12.480 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.092 1.225 13.747 1.00 0.00 H new ATOM 285 N ASN A 20 -3.036 2.464 13.583 1.00 0.00 N ATOM 286 CA ASN A 20 -3.810 2.716 14.793 1.00 0.00 C ATOM 287 C ASN A 20 -5.229 3.158 14.451 1.00 0.00 C ATOM 288 O ASN A 20 -6.169 2.901 15.203 1.00 0.00 O ATOM 289 CB ASN A 20 -3.124 3.783 15.648 1.00 0.00 C ATOM 290 CG ASN A 20 -2.732 5.005 14.842 1.00 0.00 C ATOM 291 OD1 ASN A 20 -3.097 5.137 13.674 1.00 0.00 O ATOM 292 ND2 ASN A 20 -1.983 5.907 15.465 1.00 0.00 N ATOM 0 H ASN A 20 -2.162 2.986 13.525 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.866 1.786 15.358 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.792 4.083 16.455 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.235 3.356 16.112 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.687 6.751 14.974 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.704 5.756 16.434 1.00 0.00 H new ATOM 299 N ASN A 21 -5.377 3.827 13.312 1.00 0.00 N ATOM 300 CA ASN A 21 -6.681 4.305 12.870 1.00 0.00 C ATOM 301 C ASN A 21 -6.955 3.883 11.430 1.00 0.00 C ATOM 302 O ASN A 21 -7.694 4.551 10.707 1.00 0.00 O ATOM 303 CB ASN A 21 -6.756 5.829 12.987 1.00 0.00 C ATOM 304 CG ASN A 21 -7.153 6.284 14.378 1.00 0.00 C ATOM 305 OD1 ASN A 21 -7.477 5.469 15.242 1.00 0.00 O ATOM 306 ND2 ASN A 21 -7.129 7.593 14.601 1.00 0.00 N ATOM 0 H ASN A 21 -4.609 4.050 12.679 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.440 3.859 13.513 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.788 6.258 12.730 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.476 6.211 12.264 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.386 7.959 15.518 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.854 8.232 13.855 1.00 0.00 H new ATOM 313 N LEU A 22 -6.354 2.771 11.021 1.00 0.00 N ATOM 314 CA LEU A 22 -6.530 2.261 9.666 1.00 0.00 C ATOM 315 C LEU A 22 -7.983 1.871 9.415 1.00 0.00 C ATOM 316 O LEU A 22 -8.590 1.155 10.212 1.00 0.00 O ATOM 317 CB LEU A 22 -5.616 1.056 9.432 1.00 0.00 C ATOM 318 CG LEU A 22 -4.601 1.226 8.300 1.00 0.00 C ATOM 319 CD1 LEU A 22 -3.733 -0.016 8.173 1.00 0.00 C ATOM 320 CD2 LEU A 22 -5.312 1.521 6.988 1.00 0.00 C ATOM 0 H LEU A 22 -5.741 2.206 11.608 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.262 3.053 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.076 0.843 10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.235 0.185 9.217 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.956 2.072 8.537 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.017 0.122 7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.197 -0.182 9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.362 -0.879 7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.575 1.639 6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.981 0.696 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.890 2.440 7.086 1.00 0.00 H new ATOM 332 N ASP A 23 -8.533 2.343 8.302 1.00 0.00 N ATOM 333 CA ASP A 23 -9.912 2.038 7.943 1.00 0.00 C ATOM 334 C ASP A 23 -10.149 0.528 7.941 1.00 0.00 C ATOM 335 O ASP A 23 -9.335 -0.232 7.417 1.00 0.00 O ATOM 336 CB ASP A 23 -10.238 2.617 6.564 1.00 0.00 C ATOM 337 CG ASP A 23 -11.622 3.230 6.506 1.00 0.00 C ATOM 338 OD1 ASP A 23 -12.610 2.467 6.514 1.00 0.00 O ATOM 339 OD2 ASP A 23 -11.719 4.474 6.450 1.00 0.00 O ATOM 0 H ASP A 23 -8.045 2.938 7.633 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.567 2.492 8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.497 3.374 6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.161 1.829 5.815 1.00 0.00 H new ATOM 344 N PRO A 24 -11.267 0.070 8.532 1.00 0.00 N ATOM 345 CA PRO A 24 -11.598 -1.356 8.591 1.00 0.00 C ATOM 346 C PRO A 24 -11.437 -2.046 7.240 1.00 0.00 C ATOM 347 O PRO A 24 -10.667 -2.996 7.105 1.00 0.00 O ATOM 348 CB PRO A 24 -13.064 -1.357 9.023 1.00 0.00 C ATOM 349 CG PRO A 24 -13.221 -0.104 9.813 1.00 0.00 C ATOM 350 CD PRO A 24 -12.297 0.903 9.183 1.00 0.00 C ATOM 0 HA PRO A 24 -10.939 -1.902 9.266 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.732 -1.369 8.161 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.301 -2.236 9.622 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.253 0.245 9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -12.964 -0.268 10.860 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.820 1.530 8.461 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.862 1.569 9.928 1.00 0.00 H new ATOM 358 N ASP A 25 -12.167 -1.559 6.241 1.00 0.00 N ATOM 359 CA ASP A 25 -12.105 -2.130 4.901 1.00 0.00 C ATOM 360 C ASP A 25 -10.662 -2.234 4.419 1.00 0.00 C ATOM 361 O ASP A 25 -10.185 -3.319 4.085 1.00 0.00 O ATOM 362 CB ASP A 25 -12.920 -1.281 3.924 1.00 0.00 C ATOM 363 CG ASP A 25 -14.175 -1.989 3.451 1.00 0.00 C ATOM 364 OD1 ASP A 25 -14.697 -2.838 4.203 1.00 0.00 O ATOM 365 OD2 ASP A 25 -14.635 -1.694 2.328 1.00 0.00 O ATOM 0 H ASP A 25 -12.808 -0.771 6.335 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.529 -3.133 4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.195 -0.342 4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.302 -1.029 3.062 1.00 0.00 H new ATOM 370 N LEU A 26 -9.971 -1.099 4.384 1.00 0.00 N ATOM 371 CA LEU A 26 -8.582 -1.066 3.942 1.00 0.00 C ATOM 372 C LEU A 26 -7.739 -2.072 4.718 1.00 0.00 C ATOM 373 O LEU A 26 -6.830 -2.691 4.167 1.00 0.00 O ATOM 374 CB LEU A 26 -8.005 0.341 4.112 1.00 0.00 C ATOM 375 CG LEU A 26 -7.282 0.895 2.883 1.00 0.00 C ATOM 376 CD1 LEU A 26 -6.055 0.055 2.563 1.00 0.00 C ATOM 377 CD2 LEU A 26 -8.223 0.946 1.690 1.00 0.00 C ATOM 0 H LEU A 26 -10.350 -0.192 4.656 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.556 -1.337 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.815 1.021 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.310 0.334 4.951 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.954 1.911 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.553 0.464 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.372 0.071 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.360 -0.972 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.692 1.343 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.582 -0.059 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.071 1.591 1.922 1.00 0.00 H new ATOM 389 N ARG A 27 -8.049 -2.232 6.001 1.00 0.00 N ATOM 390 CA ARG A 27 -7.322 -3.166 6.853 1.00 0.00 C ATOM 391 C ARG A 27 -7.294 -4.558 6.230 1.00 0.00 C ATOM 392 O ARG A 27 -6.239 -5.185 6.134 1.00 0.00 O ATOM 393 CB ARG A 27 -7.964 -3.230 8.240 1.00 0.00 C ATOM 394 CG ARG A 27 -7.012 -2.866 9.368 1.00 0.00 C ATOM 395 CD ARG A 27 -7.171 -3.801 10.556 1.00 0.00 C ATOM 396 NE ARG A 27 -8.406 -3.544 11.290 1.00 0.00 N ATOM 397 CZ ARG A 27 -8.843 -4.307 12.286 1.00 0.00 C ATOM 398 NH1 ARG A 27 -8.147 -5.370 12.666 1.00 0.00 N ATOM 399 NH2 ARG A 27 -9.977 -4.006 12.905 1.00 0.00 N ATOM 0 H ARG A 27 -8.799 -1.727 6.473 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.297 -2.808 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.820 -2.556 8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.346 -4.237 8.409 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.985 -2.908 9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.197 -1.839 9.684 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.164 -4.834 10.208 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.319 -3.684 11.226 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.965 -2.733 11.023 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.274 -5.604 12.193 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.485 -5.954 13.431 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.514 -3.188 12.616 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.312 -4.592 13.670 1.00 0.00 H new ATOM 413 N SER A 28 -8.460 -5.034 5.805 1.00 0.00 N ATOM 414 CA SER A 28 -8.569 -6.350 5.188 1.00 0.00 C ATOM 415 C SER A 28 -7.912 -6.359 3.811 1.00 0.00 C ATOM 416 O SER A 28 -7.385 -7.380 3.370 1.00 0.00 O ATOM 417 CB SER A 28 -10.038 -6.760 5.068 1.00 0.00 C ATOM 418 OG SER A 28 -10.574 -7.110 6.332 1.00 0.00 O ATOM 0 H SER A 28 -9.342 -4.528 5.877 1.00 0.00 H new ATOM 0 HA SER A 28 -8.050 -7.067 5.824 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.614 -5.940 4.640 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.129 -7.604 4.385 1.00 0.00 H new ATOM 0 HG SER A 28 -11.514 -7.367 6.229 1.00 0.00 H new ATOM 424 N LEU A 29 -7.946 -5.213 3.138 1.00 0.00 N ATOM 425 CA LEU A 29 -7.348 -5.087 1.815 1.00 0.00 C ATOM 426 C LEU A 29 -5.859 -5.427 1.854 1.00 0.00 C ATOM 427 O LEU A 29 -5.268 -5.781 0.834 1.00 0.00 O ATOM 428 CB LEU A 29 -7.552 -3.667 1.274 1.00 0.00 C ATOM 429 CG LEU A 29 -7.190 -3.462 -0.203 1.00 0.00 C ATOM 430 CD1 LEU A 29 -7.616 -4.660 -1.041 1.00 0.00 C ATOM 431 CD2 LEU A 29 -7.826 -2.187 -0.733 1.00 0.00 C ATOM 0 H LEU A 29 -8.381 -4.359 3.487 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.842 -5.795 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.597 -3.390 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.956 -2.980 1.874 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.107 -3.367 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.348 -4.489 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.111 -5.555 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.695 -4.795 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.559 -2.056 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.910 -2.255 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.465 -1.334 -0.158 1.00 0.00 H new ATOM 443 N PHE A 30 -5.263 -5.330 3.040 1.00 0.00 N ATOM 444 CA PHE A 30 -3.848 -5.639 3.212 1.00 0.00 C ATOM 445 C PHE A 30 -3.660 -7.092 3.637 1.00 0.00 C ATOM 446 O PHE A 30 -2.916 -7.843 3.006 1.00 0.00 O ATOM 447 CB PHE A 30 -3.224 -4.706 4.252 1.00 0.00 C ATOM 448 CG PHE A 30 -2.786 -3.386 3.688 1.00 0.00 C ATOM 449 CD1 PHE A 30 -1.840 -3.330 2.677 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.321 -2.200 4.167 1.00 0.00 C ATOM 451 CE1 PHE A 30 -1.435 -2.116 2.155 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.919 -0.984 3.648 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.975 -0.942 2.641 1.00 0.00 C ATOM 0 H PHE A 30 -5.738 -5.040 3.895 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.348 -5.490 2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.946 -4.530 5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.365 -5.202 4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.414 -4.245 2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.060 -2.227 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.697 -2.086 1.367 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.343 -0.067 4.030 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.660 0.008 2.234 1.00 0.00 H new ATOM 463 N SER A 31 -4.343 -7.481 4.709 1.00 0.00 N ATOM 464 CA SER A 31 -4.257 -8.846 5.217 1.00 0.00 C ATOM 465 C SER A 31 -4.513 -9.857 4.105 1.00 0.00 C ATOM 466 O SER A 31 -4.030 -10.988 4.157 1.00 0.00 O ATOM 467 CB SER A 31 -5.266 -9.053 6.350 1.00 0.00 C ATOM 468 OG SER A 31 -4.723 -9.867 7.374 1.00 0.00 O ATOM 0 H SER A 31 -4.962 -6.871 5.243 1.00 0.00 H new ATOM 0 HA SER A 31 -3.249 -9.002 5.601 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.556 -8.087 6.764 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.171 -9.515 5.955 1.00 0.00 H new ATOM 0 HG SER A 31 -5.386 -9.983 8.086 1.00 0.00 H new ATOM 474 N ARG A 32 -5.275 -9.440 3.099 1.00 0.00 N ATOM 475 CA ARG A 32 -5.599 -10.310 1.975 1.00 0.00 C ATOM 476 C ARG A 32 -4.430 -10.404 1.001 1.00 0.00 C ATOM 477 O ARG A 32 -4.149 -11.472 0.455 1.00 0.00 O ATOM 478 CB ARG A 32 -6.841 -9.792 1.246 1.00 0.00 C ATOM 479 CG ARG A 32 -8.147 -10.148 1.938 1.00 0.00 C ATOM 480 CD ARG A 32 -9.309 -9.339 1.385 1.00 0.00 C ATOM 481 NE ARG A 32 -10.601 -9.901 1.770 1.00 0.00 N ATOM 482 CZ ARG A 32 -11.075 -11.048 1.296 1.00 0.00 C ATOM 483 NH1 ARG A 32 -10.365 -11.751 0.424 1.00 0.00 N ATOM 484 NH2 ARG A 32 -12.259 -11.494 1.694 1.00 0.00 N ATOM 0 H ARG A 32 -5.679 -8.505 3.039 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.802 -11.306 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.772 -8.708 1.154 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.854 -10.198 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.349 -11.211 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.054 -9.967 3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.239 -8.312 1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.240 -9.302 0.298 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.171 -9.384 2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.454 -11.411 0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.730 -12.631 0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.807 -10.956 2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.621 -12.375 1.329 1.00 0.00 H new ATOM 498 N ALA A 33 -3.752 -9.282 0.782 1.00 0.00 N ATOM 499 CA ALA A 33 -2.619 -9.243 -0.135 1.00 0.00 C ATOM 500 C ALA A 33 -1.382 -9.879 0.490 1.00 0.00 C ATOM 501 O ALA A 33 -0.486 -10.341 -0.217 1.00 0.00 O ATOM 502 CB ALA A 33 -2.326 -7.809 -0.553 1.00 0.00 C ATOM 0 H ALA A 33 -3.967 -8.389 1.226 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.882 -9.821 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.478 -7.796 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.200 -7.389 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.090 -7.214 0.329 1.00 0.00 H new ATOM 508 N GLY A 34 -1.344 -9.911 1.818 1.00 0.00 N ATOM 509 CA GLY A 34 -0.212 -10.495 2.513 1.00 0.00 C ATOM 510 C GLY A 34 0.745 -9.447 3.046 1.00 0.00 C ATOM 511 O GLY A 34 1.958 -9.557 2.869 1.00 0.00 O ATOM 0 H GLY A 34 -2.077 -9.543 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.573 -11.107 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.323 -11.160 1.835 1.00 0.00 H new ATOM 515 N ILE A 35 0.198 -8.428 3.699 1.00 0.00 N ATOM 516 CA ILE A 35 1.010 -7.355 4.260 1.00 0.00 C ATOM 517 C ILE A 35 0.718 -7.166 5.746 1.00 0.00 C ATOM 518 O ILE A 35 -0.435 -7.225 6.173 1.00 0.00 O ATOM 519 CB ILE A 35 0.769 -6.025 3.522 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.047 -6.194 2.027 1.00 0.00 C ATOM 521 CG2 ILE A 35 1.642 -4.926 4.108 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.823 -4.932 1.222 1.00 0.00 C ATOM 0 H ILE A 35 -0.805 -8.322 3.853 1.00 0.00 H new ATOM 0 HA ILE A 35 2.053 -7.645 4.134 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.274 -5.737 3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.078 -6.522 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.407 -6.984 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.459 -3.993 3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.402 -4.794 5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.692 -5.202 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.039 -5.127 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.214 -4.614 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.482 -4.145 1.588 1.00 0.00 H new ATOM 534 N SER A 36 1.769 -6.945 6.529 1.00 0.00 N ATOM 535 CA SER A 36 1.624 -6.761 7.968 1.00 0.00 C ATOM 536 C SER A 36 2.066 -5.364 8.392 1.00 0.00 C ATOM 537 O SER A 36 2.474 -4.552 7.561 1.00 0.00 O ATOM 538 CB SER A 36 2.439 -7.814 8.721 1.00 0.00 C ATOM 539 OG SER A 36 3.792 -7.806 8.303 1.00 0.00 O ATOM 0 H SER A 36 2.730 -6.889 6.191 1.00 0.00 H new ATOM 0 HA SER A 36 0.569 -6.877 8.216 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.385 -7.622 9.793 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.009 -8.801 8.552 1.00 0.00 H new ATOM 0 HG SER A 36 4.292 -8.487 8.800 1.00 0.00 H new ATOM 545 N GLU A 37 1.982 -5.093 9.690 1.00 0.00 N ATOM 546 CA GLU A 37 2.370 -3.796 10.229 1.00 0.00 C ATOM 547 C GLU A 37 3.835 -3.494 9.933 1.00 0.00 C ATOM 548 O GLU A 37 4.246 -2.335 9.909 1.00 0.00 O ATOM 549 CB GLU A 37 2.128 -3.759 11.739 1.00 0.00 C ATOM 550 CG GLU A 37 0.868 -3.007 12.136 1.00 0.00 C ATOM 551 CD GLU A 37 0.005 -3.787 13.109 1.00 0.00 C ATOM 552 OE1 GLU A 37 0.486 -4.809 13.641 1.00 0.00 O ATOM 553 OE2 GLU A 37 -1.151 -3.373 13.339 1.00 0.00 O ATOM 0 H GLU A 37 1.648 -5.756 10.389 1.00 0.00 H new ATOM 0 HA GLU A 37 1.758 -3.034 9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.064 -4.781 12.113 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.986 -3.295 12.225 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.145 -2.053 12.586 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.287 -2.781 11.242 1.00 0.00 H new ATOM 560 N ALA A 38 4.621 -4.543 9.714 1.00 0.00 N ATOM 561 CA ALA A 38 6.041 -4.385 9.426 1.00 0.00 C ATOM 562 C ALA A 38 6.258 -3.564 8.158 1.00 0.00 C ATOM 563 O ALA A 38 7.146 -2.714 8.102 1.00 0.00 O ATOM 564 CB ALA A 38 6.709 -5.745 9.298 1.00 0.00 C ATOM 0 H ALA A 38 4.299 -5.511 9.731 1.00 0.00 H new ATOM 0 HA ALA A 38 6.496 -3.846 10.257 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.769 -5.611 9.083 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.595 -6.296 10.232 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.242 -6.305 8.487 1.00 0.00 H new ATOM 570 N GLN A 39 5.442 -3.827 7.142 1.00 0.00 N ATOM 571 CA GLN A 39 5.550 -3.115 5.873 1.00 0.00 C ATOM 572 C GLN A 39 4.864 -1.754 5.948 1.00 0.00 C ATOM 573 O GLN A 39 5.196 -0.840 5.194 1.00 0.00 O ATOM 574 CB GLN A 39 4.934 -3.947 4.746 1.00 0.00 C ATOM 575 CG GLN A 39 5.927 -4.867 4.055 1.00 0.00 C ATOM 576 CD GLN A 39 5.608 -6.334 4.267 1.00 0.00 C ATOM 577 OE1 GLN A 39 4.903 -6.950 3.468 1.00 0.00 O ATOM 578 NE2 GLN A 39 6.126 -6.902 5.350 1.00 0.00 N ATOM 0 H GLN A 39 4.700 -4.526 7.172 1.00 0.00 H new ATOM 0 HA GLN A 39 6.608 -2.955 5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.119 -4.546 5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.499 -3.275 4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.934 -4.651 2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.930 -4.659 4.429 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.705 -6.354 5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.945 -7.886 5.546 1.00 0.00 H new ATOM 587 N LEU A 40 3.906 -1.627 6.860 1.00 0.00 N ATOM 588 CA LEU A 40 3.171 -0.378 7.026 1.00 0.00 C ATOM 589 C LEU A 40 3.849 0.534 8.046 1.00 0.00 C ATOM 590 O LEU A 40 3.632 1.746 8.047 1.00 0.00 O ATOM 591 CB LEU A 40 1.733 -0.666 7.464 1.00 0.00 C ATOM 592 CG LEU A 40 1.056 -1.830 6.737 1.00 0.00 C ATOM 593 CD1 LEU A 40 -0.209 -2.252 7.470 1.00 0.00 C ATOM 594 CD2 LEU A 40 0.741 -1.449 5.299 1.00 0.00 C ATOM 0 H LEU A 40 3.620 -2.373 7.495 1.00 0.00 H new ATOM 0 HA LEU A 40 3.161 0.134 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.730 -0.875 8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.136 0.233 7.313 1.00 0.00 H new ATOM 0 HG LEU A 40 1.743 -2.676 6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.678 -3.081 6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.045 -2.566 8.482 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.902 -1.411 7.514 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.260 -2.289 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.072 -0.588 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.665 -1.196 4.779 1.00 0.00 H new ATOM 606 N THR A 41 4.667 -0.053 8.915 1.00 0.00 N ATOM 607 CA THR A 41 5.366 0.711 9.942 1.00 0.00 C ATOM 608 C THR A 41 6.764 1.105 9.478 1.00 0.00 C ATOM 609 O THR A 41 7.695 1.180 10.279 1.00 0.00 O ATOM 610 CB THR A 41 5.457 -0.098 11.236 1.00 0.00 C ATOM 611 OG1 THR A 41 6.165 -1.307 11.021 1.00 0.00 O ATOM 612 CG2 THR A 41 4.107 -0.453 11.819 1.00 0.00 C ATOM 0 H THR A 41 4.862 -1.054 8.928 1.00 0.00 H new ATOM 0 HA THR A 41 4.796 1.622 10.128 1.00 0.00 H new ATOM 0 HB THR A 41 5.979 0.546 11.943 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.697 -1.845 10.348 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.246 -1.027 12.735 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.556 0.460 12.042 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.545 -1.049 11.100 1.00 0.00 H new ATOM 620 N ASP A 42 6.903 1.359 8.181 1.00 0.00 N ATOM 621 CA ASP A 42 8.188 1.752 7.615 1.00 0.00 C ATOM 622 C ASP A 42 8.023 2.924 6.654 1.00 0.00 C ATOM 623 O ASP A 42 7.339 2.814 5.637 1.00 0.00 O ATOM 624 CB ASP A 42 8.834 0.569 6.890 1.00 0.00 C ATOM 625 CG ASP A 42 9.782 -0.208 7.782 1.00 0.00 C ATOM 626 OD1 ASP A 42 10.973 0.164 7.851 1.00 0.00 O ATOM 627 OD2 ASP A 42 9.335 -1.190 8.411 1.00 0.00 O ATOM 0 H ASP A 42 6.143 1.300 7.503 1.00 0.00 H new ATOM 0 HA ASP A 42 8.837 2.065 8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.054 -0.099 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.377 0.933 6.018 1.00 0.00 H new ATOM 632 N ALA A 43 8.650 4.047 6.987 1.00 0.00 N ATOM 633 CA ALA A 43 8.571 5.242 6.156 1.00 0.00 C ATOM 634 C ALA A 43 9.075 4.965 4.742 1.00 0.00 C ATOM 635 O ALA A 43 8.715 5.666 3.797 1.00 0.00 O ATOM 636 CB ALA A 43 9.363 6.376 6.788 1.00 0.00 C ATOM 0 H ALA A 43 9.219 4.154 7.827 1.00 0.00 H new ATOM 0 HA ALA A 43 7.524 5.538 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.296 7.262 6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.955 6.600 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.407 6.080 6.887 1.00 0.00 H new ATOM 642 N GLU A 44 9.911 3.940 4.605 1.00 0.00 N ATOM 643 CA GLU A 44 10.466 3.577 3.307 1.00 0.00 C ATOM 644 C GLU A 44 9.454 2.792 2.478 1.00 0.00 C ATOM 645 O GLU A 44 9.307 3.025 1.278 1.00 0.00 O ATOM 646 CB GLU A 44 11.742 2.753 3.489 1.00 0.00 C ATOM 647 CG GLU A 44 13.014 3.531 3.193 1.00 0.00 C ATOM 648 CD GLU A 44 14.269 2.728 3.473 1.00 0.00 C ATOM 649 OE1 GLU A 44 14.598 1.837 2.662 1.00 0.00 O ATOM 650 OE2 GLU A 44 14.924 2.991 4.504 1.00 0.00 O ATOM 0 H GLU A 44 10.218 3.347 5.376 1.00 0.00 H new ATOM 0 HA GLU A 44 10.706 4.497 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.782 2.382 4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.698 1.881 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.011 3.840 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.027 4.440 3.794 1.00 0.00 H new ATOM 657 N THR A 45 8.758 1.863 3.125 1.00 0.00 N ATOM 658 CA THR A 45 7.761 1.045 2.444 1.00 0.00 C ATOM 659 C THR A 45 6.412 1.755 2.402 1.00 0.00 C ATOM 660 O THR A 45 5.637 1.580 1.462 1.00 0.00 O ATOM 661 CB THR A 45 7.616 -0.309 3.142 1.00 0.00 C ATOM 662 OG1 THR A 45 8.833 -0.687 3.760 1.00 0.00 O ATOM 663 CG2 THR A 45 7.208 -1.426 2.206 1.00 0.00 C ATOM 0 H THR A 45 8.866 1.658 4.118 1.00 0.00 H new ATOM 0 HA THR A 45 8.099 0.883 1.420 1.00 0.00 H new ATOM 0 HB THR A 45 6.825 -0.170 3.879 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.720 -1.554 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.124 -2.357 2.766 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.246 -1.187 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.960 -1.539 1.425 1.00 0.00 H new ATOM 671 N SER A 46 6.138 2.558 3.425 1.00 0.00 N ATOM 672 CA SER A 46 4.881 3.294 3.504 1.00 0.00 C ATOM 673 C SER A 46 4.605 4.041 2.203 1.00 0.00 C ATOM 674 O SER A 46 3.457 4.153 1.772 1.00 0.00 O ATOM 675 CB SER A 46 4.917 4.280 4.673 1.00 0.00 C ATOM 676 OG SER A 46 5.798 5.357 4.406 1.00 0.00 O ATOM 0 H SER A 46 6.769 2.716 4.211 1.00 0.00 H new ATOM 0 HA SER A 46 4.078 2.576 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.914 4.664 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.234 3.763 5.579 1.00 0.00 H new ATOM 0 HG SER A 46 5.576 6.113 4.988 1.00 0.00 H new ATOM 682 N LYS A 47 5.664 4.549 1.582 1.00 0.00 N ATOM 683 CA LYS A 47 5.536 5.282 0.328 1.00 0.00 C ATOM 684 C LYS A 47 5.528 4.325 -0.859 1.00 0.00 C ATOM 685 O LYS A 47 4.761 4.500 -1.804 1.00 0.00 O ATOM 686 CB LYS A 47 6.680 6.287 0.182 1.00 0.00 C ATOM 687 CG LYS A 47 6.426 7.349 -0.875 1.00 0.00 C ATOM 688 CD LYS A 47 7.224 7.077 -2.140 1.00 0.00 C ATOM 689 CE LYS A 47 8.697 7.401 -1.949 1.00 0.00 C ATOM 690 NZ LYS A 47 9.571 6.254 -2.319 1.00 0.00 N ATOM 0 H LYS A 47 6.620 4.467 1.927 1.00 0.00 H new ATOM 0 HA LYS A 47 4.589 5.822 0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.849 6.775 1.142 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.595 5.750 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.363 7.380 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.692 8.329 -0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.114 6.030 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.823 7.672 -2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.960 8.268 -2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.877 7.674 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.567 6.516 -2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.339 5.434 -1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.419 6.010 -3.318 1.00 0.00 H new ATOM 704 N LEU A 48 6.384 3.312 -0.802 1.00 0.00 N ATOM 705 CA LEU A 48 6.470 2.324 -1.869 1.00 0.00 C ATOM 706 C LEU A 48 5.120 1.651 -2.091 1.00 0.00 C ATOM 707 O LEU A 48 4.780 1.272 -3.212 1.00 0.00 O ATOM 708 CB LEU A 48 7.530 1.273 -1.534 1.00 0.00 C ATOM 709 CG LEU A 48 7.678 0.146 -2.560 1.00 0.00 C ATOM 710 CD1 LEU A 48 6.559 -0.871 -2.402 1.00 0.00 C ATOM 711 CD2 LEU A 48 7.696 0.709 -3.973 1.00 0.00 C ATOM 0 H LEU A 48 7.029 3.154 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 48 6.757 2.837 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.493 1.773 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.289 0.833 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 48 8.627 -0.359 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.681 -1.664 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.595 -1.299 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.597 -0.380 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.802 -0.107 -4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.764 1.241 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.535 1.397 -4.080 1.00 0.00 H new ATOM 723 N ILE A 49 4.355 1.504 -1.014 1.00 0.00 N ATOM 724 CA ILE A 49 3.044 0.874 -1.092 1.00 0.00 C ATOM 725 C ILE A 49 1.959 1.893 -1.418 1.00 0.00 C ATOM 726 O ILE A 49 0.909 1.540 -1.954 1.00 0.00 O ATOM 727 CB ILE A 49 2.675 0.159 0.222 1.00 0.00 C ATOM 728 CG1 ILE A 49 3.849 -0.687 0.717 1.00 0.00 C ATOM 729 CG2 ILE A 49 1.438 -0.706 0.026 1.00 0.00 C ATOM 730 CD1 ILE A 49 3.817 -0.952 2.207 1.00 0.00 C ATOM 0 H ILE A 49 4.621 1.812 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 49 3.104 0.137 -1.893 1.00 0.00 H new ATOM 0 HB ILE A 49 2.452 0.913 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.849 -1.639 0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.782 -0.182 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.190 -1.204 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.602 -0.080 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.635 -1.454 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.679 -1.557 2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.848 -0.005 2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.901 -1.485 2.462 1.00 0.00 H new ATOM 742 N TYR A 50 2.209 3.158 -1.088 1.00 0.00 N ATOM 743 CA TYR A 50 1.228 4.205 -1.343 1.00 0.00 C ATOM 744 C TYR A 50 0.845 4.227 -2.825 1.00 0.00 C ATOM 745 O TYR A 50 -0.234 4.699 -3.187 1.00 0.00 O ATOM 746 CB TYR A 50 1.743 5.582 -0.834 1.00 0.00 C ATOM 747 CG TYR A 50 1.850 6.680 -1.880 1.00 0.00 C ATOM 748 CD1 TYR A 50 2.762 6.585 -2.924 1.00 0.00 C ATOM 749 CD2 TYR A 50 1.036 7.807 -1.820 1.00 0.00 C ATOM 750 CE1 TYR A 50 2.862 7.581 -3.877 1.00 0.00 C ATOM 751 CE2 TYR A 50 1.132 8.806 -2.769 1.00 0.00 C ATOM 752 CZ TYR A 50 2.045 8.688 -3.795 1.00 0.00 C ATOM 753 OH TYR A 50 2.143 9.682 -4.741 1.00 0.00 O ATOM 0 H TYR A 50 3.072 3.478 -0.649 1.00 0.00 H new ATOM 0 HA TYR A 50 0.319 3.987 -0.782 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.079 5.926 -0.041 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.726 5.437 -0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.403 5.719 -2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.318 7.902 -1.019 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.577 7.492 -4.682 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.495 9.676 -2.707 1.00 0.00 H new ATOM 0 HH TYR A 50 1.497 10.391 -4.539 1.00 0.00 H new ATOM 763 N ASP A 51 1.712 3.681 -3.670 1.00 0.00 N ATOM 764 CA ASP A 51 1.426 3.602 -5.095 1.00 0.00 C ATOM 765 C ASP A 51 0.146 2.805 -5.345 1.00 0.00 C ATOM 766 O ASP A 51 -0.458 2.906 -6.413 1.00 0.00 O ATOM 767 CB ASP A 51 2.597 2.956 -5.838 1.00 0.00 C ATOM 768 CG ASP A 51 2.598 3.290 -7.316 1.00 0.00 C ATOM 769 OD1 ASP A 51 1.527 3.183 -7.950 1.00 0.00 O ATOM 770 OD2 ASP A 51 3.669 3.660 -7.841 1.00 0.00 O ATOM 0 H ASP A 51 2.613 3.289 -3.394 1.00 0.00 H new ATOM 0 HA ASP A 51 1.284 4.615 -5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.534 3.289 -5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.551 1.874 -5.713 1.00 0.00 H new ATOM 775 N PHE A 52 -0.268 2.017 -4.351 1.00 0.00 N ATOM 776 CA PHE A 52 -1.472 1.203 -4.471 1.00 0.00 C ATOM 777 C PHE A 52 -2.713 1.990 -4.057 1.00 0.00 C ATOM 778 O PHE A 52 -3.621 2.195 -4.863 1.00 0.00 O ATOM 779 CB PHE A 52 -1.345 -0.058 -3.616 1.00 0.00 C ATOM 780 CG PHE A 52 -2.495 -1.009 -3.780 1.00 0.00 C ATOM 781 CD1 PHE A 52 -2.729 -1.630 -4.996 1.00 0.00 C ATOM 782 CD2 PHE A 52 -3.346 -1.277 -2.719 1.00 0.00 C ATOM 783 CE1 PHE A 52 -3.788 -2.504 -5.151 1.00 0.00 C ATOM 784 CE2 PHE A 52 -4.407 -2.149 -2.869 1.00 0.00 C ATOM 785 CZ PHE A 52 -4.628 -2.764 -4.086 1.00 0.00 C ATOM 0 H PHE A 52 0.214 1.927 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.582 0.918 -5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.419 -0.572 -3.875 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.268 0.229 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.076 -1.429 -5.833 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.178 -0.799 -1.765 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.959 -2.983 -6.104 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.063 -2.350 -2.035 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.456 -3.447 -4.204 1.00 0.00 H new ATOM 795 N ILE A 53 -2.755 2.428 -2.800 1.00 0.00 N ATOM 796 CA ILE A 53 -3.890 3.215 -2.317 1.00 0.00 C ATOM 797 C ILE A 53 -3.978 4.540 -3.075 1.00 0.00 C ATOM 798 O ILE A 53 -5.029 5.181 -3.101 1.00 0.00 O ATOM 799 CB ILE A 53 -3.893 3.444 -0.775 1.00 0.00 C ATOM 800 CG1 ILE A 53 -3.109 2.341 -0.054 1.00 0.00 C ATOM 801 CG2 ILE A 53 -5.331 3.486 -0.274 1.00 0.00 C ATOM 802 CD1 ILE A 53 -3.207 2.415 1.453 1.00 0.00 C ATOM 0 H ILE A 53 -2.028 2.255 -2.106 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.782 2.623 -2.520 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.405 4.394 -0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.476 1.370 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.060 2.403 -0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.336 3.646 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.863 4.301 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.824 2.541 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.628 1.604 1.895 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.813 3.372 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.250 2.323 1.755 1.00 0.00 H new ATOM 814 N GLU A 54 -2.874 4.932 -3.715 1.00 0.00 N ATOM 815 CA GLU A 54 -2.832 6.166 -4.491 1.00 0.00 C ATOM 816 C GLU A 54 -3.377 5.945 -5.898 1.00 0.00 C ATOM 817 O GLU A 54 -4.203 6.716 -6.386 1.00 0.00 O ATOM 818 CB GLU A 54 -1.396 6.690 -4.571 1.00 0.00 C ATOM 819 CG GLU A 54 -1.278 8.048 -5.243 1.00 0.00 C ATOM 820 CD GLU A 54 -0.680 7.960 -6.633 1.00 0.00 C ATOM 821 OE1 GLU A 54 0.463 7.473 -6.757 1.00 0.00 O ATOM 822 OE2 GLU A 54 -1.355 8.377 -7.598 1.00 0.00 O ATOM 0 H GLU A 54 -1.998 4.410 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.459 6.903 -3.988 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.986 6.756 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.786 5.970 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.265 8.506 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.661 8.702 -4.627 1.00 0.00 H new ATOM 829 N ASP A 55 -2.893 4.891 -6.550 1.00 0.00 N ATOM 830 CA ASP A 55 -3.304 4.573 -7.913 1.00 0.00 C ATOM 831 C ASP A 55 -4.713 3.989 -7.951 1.00 0.00 C ATOM 832 O ASP A 55 -5.468 4.228 -8.893 1.00 0.00 O ATOM 833 CB ASP A 55 -2.316 3.588 -8.542 1.00 0.00 C ATOM 834 CG ASP A 55 -2.507 3.452 -10.040 1.00 0.00 C ATOM 835 OD1 ASP A 55 -3.560 2.929 -10.459 1.00 0.00 O ATOM 836 OD2 ASP A 55 -1.602 3.869 -10.794 1.00 0.00 O ATOM 0 H ASP A 55 -2.214 4.241 -6.154 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.308 5.501 -8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.298 3.919 -8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.434 2.611 -8.074 1.00 0.00 H new ATOM 841 N GLN A 56 -5.062 3.217 -6.927 1.00 0.00 N ATOM 842 CA GLN A 56 -6.380 2.597 -6.856 1.00 0.00 C ATOM 843 C GLN A 56 -7.487 3.642 -6.960 1.00 0.00 C ATOM 844 O GLN A 56 -8.624 3.321 -7.305 1.00 0.00 O ATOM 845 CB GLN A 56 -6.529 1.812 -5.550 1.00 0.00 C ATOM 846 CG GLN A 56 -5.916 0.422 -5.600 1.00 0.00 C ATOM 847 CD GLN A 56 -6.338 -0.359 -6.829 1.00 0.00 C ATOM 848 OE1 GLN A 56 -7.524 -0.614 -7.040 1.00 0.00 O ATOM 849 NE2 GLN A 56 -5.367 -0.742 -7.650 1.00 0.00 N ATOM 0 H GLN A 56 -4.452 3.006 -6.137 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.473 1.913 -7.699 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.063 2.376 -4.742 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.588 1.724 -5.308 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.829 0.508 -5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.205 -0.131 -4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.397 -0.509 -7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.591 -1.269 -8.494 1.00 0.00 H new ATOM 858 N GLY A 57 -7.149 4.892 -6.662 1.00 0.00 N ATOM 859 CA GLY A 57 -8.130 5.959 -6.722 1.00 0.00 C ATOM 860 C GLY A 57 -8.334 6.628 -5.377 1.00 0.00 C ATOM 861 O GLY A 57 -8.789 7.769 -5.305 1.00 0.00 O ATOM 0 H GLY A 57 -6.214 5.185 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.810 6.703 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.080 5.557 -7.073 1.00 0.00 H new ATOM 865 N GLY A 58 -7.992 5.915 -4.309 1.00 0.00 N ATOM 866 CA GLY A 58 -8.139 6.459 -2.973 1.00 0.00 C ATOM 867 C GLY A 58 -8.598 5.422 -1.969 1.00 0.00 C ATOM 868 O GLY A 58 -9.433 4.576 -2.278 1.00 0.00 O ATOM 0 H GLY A 58 -7.615 4.968 -4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.186 6.877 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.856 7.280 -2.996 1.00 0.00 H new ATOM 872 N LEU A 59 -8.052 5.495 -0.763 1.00 0.00 N ATOM 873 CA LEU A 59 -8.389 4.554 0.299 1.00 0.00 C ATOM 874 C LEU A 59 -9.892 4.544 0.571 1.00 0.00 C ATOM 875 O LEU A 59 -10.541 3.502 0.485 1.00 0.00 O ATOM 876 CB LEU A 59 -7.626 4.971 1.555 1.00 0.00 C ATOM 877 CG LEU A 59 -8.235 4.561 2.897 1.00 0.00 C ATOM 878 CD1 LEU A 59 -7.143 4.350 3.935 1.00 0.00 C ATOM 879 CD2 LEU A 59 -9.222 5.621 3.360 1.00 0.00 C ATOM 0 H LEU A 59 -7.368 6.202 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.108 3.545 -0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.620 4.554 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.522 6.056 1.546 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.768 3.618 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.594 4.059 4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.468 3.564 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.584 5.276 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.653 5.324 4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.705 6.574 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.016 5.726 2.621 1.00 0.00 H new ATOM 891 N GLU A 60 -10.445 5.717 0.865 1.00 0.00 N ATOM 892 CA GLU A 60 -11.879 5.841 1.081 1.00 0.00 C ATOM 893 C GLU A 60 -12.586 5.657 -0.249 1.00 0.00 C ATOM 894 O GLU A 60 -13.679 5.095 -0.327 1.00 0.00 O ATOM 895 CB GLU A 60 -12.223 7.205 1.685 1.00 0.00 C ATOM 896 CG GLU A 60 -11.742 8.382 0.849 1.00 0.00 C ATOM 897 CD GLU A 60 -12.684 9.569 0.916 1.00 0.00 C ATOM 898 OE1 GLU A 60 -13.050 9.974 2.039 1.00 0.00 O ATOM 899 OE2 GLU A 60 -13.054 10.094 -0.155 1.00 0.00 O ATOM 0 H GLU A 60 -9.924 6.589 0.958 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.208 5.077 1.785 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.304 7.276 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.783 7.273 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.754 8.687 1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.635 8.066 -0.189 1.00 0.00 H new ATOM 906 N ALA A 61 -11.902 6.088 -1.300 1.00 0.00 N ATOM 907 CA ALA A 61 -12.383 5.951 -2.656 1.00 0.00 C ATOM 908 C ALA A 61 -12.499 4.476 -3.046 1.00 0.00 C ATOM 909 O ALA A 61 -13.255 4.120 -3.950 1.00 0.00 O ATOM 910 CB ALA A 61 -11.434 6.694 -3.582 1.00 0.00 C ATOM 0 H ALA A 61 -10.993 6.545 -1.229 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.381 6.382 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.782 6.601 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.404 7.747 -3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.435 6.267 -3.497 1.00 0.00 H new ATOM 916 N VAL A 62 -11.758 3.619 -2.339 1.00 0.00 N ATOM 917 CA VAL A 62 -11.789 2.180 -2.587 1.00 0.00 C ATOM 918 C VAL A 62 -12.968 1.538 -1.858 1.00 0.00 C ATOM 919 O VAL A 62 -13.607 0.624 -2.377 1.00 0.00 O ATOM 920 CB VAL A 62 -10.472 1.501 -2.137 1.00 0.00 C ATOM 921 CG1 VAL A 62 -10.568 -0.018 -2.229 1.00 0.00 C ATOM 922 CG2 VAL A 62 -9.304 2.009 -2.966 1.00 0.00 C ATOM 0 H VAL A 62 -11.128 3.901 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.903 2.035 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.303 1.761 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.627 -0.462 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.375 -0.371 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -10.771 -0.308 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.386 1.522 -2.637 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.479 1.782 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.209 3.087 -2.838 1.00 0.00 H new ATOM 932 N ARG A 63 -13.248 2.023 -0.650 1.00 0.00 N ATOM 933 CA ARG A 63 -14.353 1.501 0.151 1.00 0.00 C ATOM 934 C ARG A 63 -15.620 1.375 -0.688 1.00 0.00 C ATOM 935 O ARG A 63 -16.318 0.362 -0.632 1.00 0.00 O ATOM 936 CB ARG A 63 -14.616 2.415 1.349 1.00 0.00 C ATOM 937 CG ARG A 63 -14.046 1.888 2.655 1.00 0.00 C ATOM 938 CD ARG A 63 -13.851 3.005 3.666 1.00 0.00 C ATOM 939 NE ARG A 63 -14.982 3.929 3.686 1.00 0.00 N ATOM 940 CZ ARG A 63 -16.142 3.661 4.277 1.00 0.00 C ATOM 941 NH1 ARG A 63 -16.322 2.499 4.892 1.00 0.00 N ATOM 942 NH2 ARG A 63 -17.122 4.553 4.253 1.00 0.00 N ATOM 0 H ARG A 63 -12.725 2.777 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 63 -14.073 0.510 0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.189 3.397 1.146 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -15.692 2.552 1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.716 1.134 3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.092 1.396 2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.716 2.576 4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.939 3.553 3.429 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.876 4.830 3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.570 1.810 4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -17.213 2.294 5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.987 5.447 3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -18.012 4.346 4.707 1.00 0.00 H new ATOM 956 N GLN A 64 -15.905 2.409 -1.472 1.00 0.00 N ATOM 957 CA GLN A 64 -17.076 2.410 -2.337 1.00 0.00 C ATOM 958 C GLN A 64 -16.999 1.272 -3.351 1.00 0.00 C ATOM 959 O GLN A 64 -18.021 0.796 -3.844 1.00 0.00 O ATOM 960 CB GLN A 64 -17.199 3.753 -3.058 1.00 0.00 C ATOM 961 CG GLN A 64 -17.600 4.897 -2.140 1.00 0.00 C ATOM 962 CD GLN A 64 -17.096 6.243 -2.622 1.00 0.00 C ATOM 963 OE1 GLN A 64 -17.657 6.834 -3.544 1.00 0.00 O ATOM 964 NE2 GLN A 64 -16.036 6.740 -1.993 1.00 0.00 N ATOM 0 H GLN A 64 -15.340 3.257 -1.525 1.00 0.00 H new ATOM 0 HA GLN A 64 -17.961 2.259 -1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.246 3.992 -3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.936 3.662 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.687 4.929 -2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.212 4.706 -1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.602 6.216 -1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.657 7.646 -2.270 1.00 0.00 H new ATOM 973 N GLU A 65 -15.779 0.831 -3.646 1.00 0.00 N ATOM 974 CA GLU A 65 -15.565 -0.264 -4.584 1.00 0.00 C ATOM 975 C GLU A 65 -15.706 -1.610 -3.879 1.00 0.00 C ATOM 976 O GLU A 65 -16.408 -2.501 -4.355 1.00 0.00 O ATOM 977 CB GLU A 65 -14.180 -0.154 -5.224 1.00 0.00 C ATOM 978 CG GLU A 65 -13.910 -1.219 -6.275 1.00 0.00 C ATOM 979 CD GLU A 65 -12.792 -0.832 -7.223 1.00 0.00 C ATOM 980 OE1 GLU A 65 -12.889 0.245 -7.849 1.00 0.00 O ATOM 981 OE2 GLU A 65 -11.818 -1.606 -7.341 1.00 0.00 O ATOM 0 H GLU A 65 -14.923 1.217 -3.247 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.322 -0.197 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -14.077 0.830 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.422 -0.224 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.654 -2.156 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -14.820 -1.399 -6.847 1.00 0.00 H new ATOM 988 N MET A 66 -15.037 -1.747 -2.738 1.00 0.00 N ATOM 989 CA MET A 66 -15.096 -2.980 -1.963 1.00 0.00 C ATOM 990 C MET A 66 -16.542 -3.368 -1.680 1.00 0.00 C ATOM 991 O MET A 66 -16.883 -4.551 -1.643 1.00 0.00 O ATOM 992 CB MET A 66 -14.335 -2.816 -0.646 1.00 0.00 C ATOM 993 CG MET A 66 -12.923 -3.376 -0.686 1.00 0.00 C ATOM 994 SD MET A 66 -12.778 -4.956 0.170 1.00 0.00 S ATOM 995 CE MET A 66 -11.006 -5.210 0.113 1.00 0.00 C ATOM 0 H MET A 66 -14.449 -1.020 -2.331 1.00 0.00 H new ATOM 0 HA MET A 66 -14.629 -3.773 -2.547 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.290 -1.757 -0.391 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.891 -3.312 0.150 1.00 0.00 H new ATOM 0 HG2 MET A 66 -12.615 -3.500 -1.724 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.239 -2.658 -0.234 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.709 -5.887 0.914 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.731 -5.644 -0.849 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.497 -4.254 0.238 1.00 0.00 H new ATOM 1181 N LEU A 81 -8.702 -6.806 -6.764 1.00 0.00 N ATOM 1182 CA LEU A 81 -8.282 -5.677 -5.930 1.00 0.00 C ATOM 1183 C LEU A 81 -7.046 -6.032 -5.106 1.00 0.00 C ATOM 1184 O LEU A 81 -6.039 -5.327 -5.151 1.00 0.00 O ATOM 1185 CB LEU A 81 -9.415 -5.219 -5.004 1.00 0.00 C ATOM 1186 CG LEU A 81 -9.213 -3.842 -4.370 1.00 0.00 C ATOM 1187 CD1 LEU A 81 -8.791 -2.827 -5.421 1.00 0.00 C ATOM 1188 CD2 LEU A 81 -10.482 -3.387 -3.665 1.00 0.00 C ATOM 0 HA LEU A 81 -8.030 -4.855 -6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.346 -5.209 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.534 -5.955 -4.209 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.418 -3.918 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.652 -1.853 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.855 -3.146 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.563 -2.754 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.319 -2.405 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.297 -3.328 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.740 -4.101 -2.883 1.00 0.00 H new ATOM 1200 N VAL A 82 -7.126 -7.125 -4.353 1.00 0.00 N ATOM 1201 CA VAL A 82 -6.011 -7.558 -3.519 1.00 0.00 C ATOM 1202 C VAL A 82 -4.911 -8.200 -4.359 1.00 0.00 C ATOM 1203 O VAL A 82 -3.727 -8.078 -4.045 1.00 0.00 O ATOM 1204 CB VAL A 82 -6.472 -8.558 -2.442 1.00 0.00 C ATOM 1205 CG1 VAL A 82 -5.352 -8.829 -1.449 1.00 0.00 C ATOM 1206 CG2 VAL A 82 -7.713 -8.041 -1.732 1.00 0.00 C ATOM 0 H VAL A 82 -7.949 -7.725 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.616 -6.667 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.726 -9.499 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.697 -9.538 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.493 -9.247 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.062 -7.897 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.025 -8.760 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.489 -7.086 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.516 -7.905 -2.456 1.00 0.00 H new ATOM 1216 N GLY A 83 -5.310 -8.880 -5.429 1.00 0.00 N ATOM 1217 CA GLY A 83 -4.344 -9.529 -6.297 1.00 0.00 C ATOM 1218 C GLY A 83 -3.362 -8.550 -6.910 1.00 0.00 C ATOM 1219 O GLY A 83 -2.270 -8.935 -7.327 1.00 0.00 O ATOM 0 H GLY A 83 -6.284 -8.993 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.796 -10.279 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.872 -10.055 -7.093 1.00 0.00 H new ATOM 1223 N ALA A 84 -3.751 -7.280 -6.965 1.00 0.00 N ATOM 1224 CA ALA A 84 -2.895 -6.243 -7.532 1.00 0.00 C ATOM 1225 C ALA A 84 -1.843 -5.790 -6.525 1.00 0.00 C ATOM 1226 O ALA A 84 -0.678 -5.600 -6.872 1.00 0.00 O ATOM 1227 CB ALA A 84 -3.733 -5.060 -7.993 1.00 0.00 C ATOM 0 H ALA A 84 -4.652 -6.944 -6.624 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.378 -6.664 -8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.081 -4.294 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.442 -5.390 -8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.277 -4.647 -7.144 1.00 0.00 H new ATOM 1233 N LEU A 85 -2.263 -5.620 -5.275 1.00 0.00 N ATOM 1234 CA LEU A 85 -1.357 -5.192 -4.216 1.00 0.00 C ATOM 1235 C LEU A 85 -0.243 -6.215 -4.010 1.00 0.00 C ATOM 1236 O LEU A 85 0.843 -5.877 -3.541 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.135 -4.978 -2.912 1.00 0.00 C ATOM 1238 CG LEU A 85 -1.287 -4.889 -1.637 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -0.066 -4.008 -1.857 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -2.121 -4.361 -0.481 1.00 0.00 C ATOM 0 H LEU A 85 -3.225 -5.772 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.900 -4.248 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.716 -4.061 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.846 -5.796 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.941 -5.892 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.519 -3.961 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.546 -4.427 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.387 -3.004 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.505 -4.304 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.496 -3.368 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.961 -5.032 -0.302 1.00 0.00 H new ATOM 1252 N MET A 86 -0.514 -7.463 -4.375 1.00 0.00 N ATOM 1253 CA MET A 86 0.467 -8.532 -4.231 1.00 0.00 C ATOM 1254 C MET A 86 1.601 -8.375 -5.238 1.00 0.00 C ATOM 1255 O MET A 86 2.735 -8.780 -4.979 1.00 0.00 O ATOM 1256 CB MET A 86 -0.204 -9.895 -4.411 1.00 0.00 C ATOM 1257 CG MET A 86 -1.450 -10.072 -3.561 1.00 0.00 C ATOM 1258 SD MET A 86 -1.720 -11.785 -3.068 1.00 0.00 S ATOM 1259 CE MET A 86 -3.507 -11.828 -2.959 1.00 0.00 C ATOM 0 H MET A 86 -1.405 -7.759 -4.773 1.00 0.00 H new ATOM 0 HA MET A 86 0.888 -8.469 -3.227 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.468 -10.026 -5.460 1.00 0.00 H new ATOM 0 HB3 MET A 86 0.511 -10.679 -4.162 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.368 -9.451 -2.669 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.318 -9.718 -4.118 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.808 -11.826 -1.911 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.923 -10.953 -3.458 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.879 -12.732 -3.442 1.00 0.00 H new ATOM 1269 N HIS A 87 1.289 -7.786 -6.388 1.00 0.00 N ATOM 1270 CA HIS A 87 2.283 -7.577 -7.434 1.00 0.00 C ATOM 1271 C HIS A 87 3.163 -6.373 -7.118 1.00 0.00 C ATOM 1272 O HIS A 87 4.312 -6.301 -7.553 1.00 0.00 O ATOM 1273 CB HIS A 87 1.596 -7.378 -8.786 1.00 0.00 C ATOM 1274 CG HIS A 87 0.846 -8.583 -9.261 1.00 0.00 C ATOM 1275 ND1 HIS A 87 0.536 -8.803 -10.586 1.00 0.00 N ATOM 1276 CD2 HIS A 87 0.344 -9.639 -8.578 1.00 0.00 C ATOM 1277 CE1 HIS A 87 -0.126 -9.941 -10.698 1.00 0.00 C ATOM 1278 NE2 HIS A 87 -0.255 -10.467 -9.495 1.00 0.00 N ATOM 0 H HIS A 87 0.356 -7.445 -6.619 1.00 0.00 H new ATOM 0 HA HIS A 87 2.915 -8.464 -7.481 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.907 -6.537 -8.713 1.00 0.00 H new ATOM 0 HB3 HIS A 87 2.347 -7.111 -9.530 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.404 -9.800 -7.512 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.498 -10.368 -11.618 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.724 -11.347 -9.281 1.00 0.00 H new ATOM 1287 N VAL A 88 2.615 -5.429 -6.360 1.00 0.00 N ATOM 1288 CA VAL A 88 3.351 -4.227 -5.990 1.00 0.00 C ATOM 1289 C VAL A 88 4.428 -4.538 -4.957 1.00 0.00 C ATOM 1290 O VAL A 88 5.447 -3.851 -4.882 1.00 0.00 O ATOM 1291 CB VAL A 88 2.415 -3.140 -5.431 1.00 0.00 C ATOM 1292 CG1 VAL A 88 3.197 -1.873 -5.118 1.00 0.00 C ATOM 1293 CG2 VAL A 88 1.286 -2.851 -6.409 1.00 0.00 C ATOM 0 H VAL A 88 1.665 -5.473 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 88 3.821 -3.854 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 88 1.975 -3.507 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.520 -1.115 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.965 -2.093 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.667 -1.501 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.635 -2.080 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.703 -2.505 -7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.709 -3.760 -6.578 1.00 0.00 H new ATOM 1303 N MET A 89 4.199 -5.579 -4.161 1.00 0.00 N ATOM 1304 CA MET A 89 5.160 -5.985 -3.144 1.00 0.00 C ATOM 1305 C MET A 89 6.250 -6.860 -3.753 1.00 0.00 C ATOM 1306 O MET A 89 7.362 -6.936 -3.232 1.00 0.00 O ATOM 1307 CB MET A 89 4.456 -6.738 -2.011 1.00 0.00 C ATOM 1308 CG MET A 89 3.290 -5.978 -1.398 1.00 0.00 C ATOM 1309 SD MET A 89 3.674 -4.247 -1.065 1.00 0.00 S ATOM 1310 CE MET A 89 4.487 -4.379 0.525 1.00 0.00 C ATOM 0 H MET A 89 3.358 -6.155 -4.202 1.00 0.00 H new ATOM 0 HA MET A 89 5.622 -5.086 -2.735 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.094 -7.693 -2.392 1.00 0.00 H new ATOM 0 HB3 MET A 89 5.183 -6.961 -1.230 1.00 0.00 H new ATOM 0 HG2 MET A 89 2.434 -6.032 -2.071 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.995 -6.464 -0.468 1.00 0.00 H new ATOM 0 HE1 MET A 89 5.357 -3.722 0.545 1.00 0.00 H new ATOM 0 HE2 MET A 89 3.794 -4.086 1.314 1.00 0.00 H new ATOM 0 HE3 MET A 89 4.806 -5.409 0.686 1.00 0.00 H new ATOM 1320 N GLN A 90 5.925 -7.513 -4.865 1.00 0.00 N ATOM 1321 CA GLN A 90 6.881 -8.373 -5.551 1.00 0.00 C ATOM 1322 C GLN A 90 8.099 -7.573 -5.998 1.00 0.00 C ATOM 1323 O GLN A 90 9.216 -8.089 -6.031 1.00 0.00 O ATOM 1324 CB GLN A 90 6.223 -9.041 -6.759 1.00 0.00 C ATOM 1325 CG GLN A 90 5.216 -10.116 -6.385 1.00 0.00 C ATOM 1326 CD GLN A 90 5.145 -11.232 -7.409 1.00 0.00 C ATOM 1327 OE1 GLN A 90 5.164 -10.986 -8.615 1.00 0.00 O ATOM 1328 NE2 GLN A 90 5.063 -12.469 -6.931 1.00 0.00 N ATOM 0 H GLN A 90 5.008 -7.462 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 90 7.208 -9.145 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.724 -8.279 -7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.997 -9.482 -7.386 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.482 -10.535 -5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.230 -9.663 -6.278 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.050 -12.627 -5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.013 -13.261 -7.572 1.00 0.00 H new ATOM 1337 N LYS A 91 7.874 -6.308 -6.338 1.00 0.00 N ATOM 1338 CA LYS A 91 8.952 -5.430 -6.776 1.00 0.00 C ATOM 1339 C LYS A 91 10.021 -5.307 -5.696 1.00 0.00 C ATOM 1340 O LYS A 91 11.217 -5.340 -5.985 1.00 0.00 O ATOM 1341 CB LYS A 91 8.400 -4.047 -7.120 1.00 0.00 C ATOM 1342 CG LYS A 91 8.781 -3.568 -8.512 1.00 0.00 C ATOM 1343 CD LYS A 91 8.252 -4.503 -9.586 1.00 0.00 C ATOM 1344 CE LYS A 91 7.587 -3.734 -10.716 1.00 0.00 C ATOM 1345 NZ LYS A 91 7.506 -4.541 -11.965 1.00 0.00 N ATOM 0 H LYS A 91 6.954 -5.868 -6.318 1.00 0.00 H new ATOM 0 HA LYS A 91 9.406 -5.865 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.313 -4.068 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.762 -3.328 -6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.386 -2.565 -8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.866 -3.499 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.071 -5.101 -9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.536 -5.196 -9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.584 -3.436 -10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.146 -2.819 -10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.046 -3.981 -12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.464 -4.805 -12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.951 -5.402 -11.787 1.00 0.00 H new ATOM 1359 N ARG A 92 9.580 -5.168 -4.450 1.00 0.00 N ATOM 1360 CA ARG A 92 10.496 -5.037 -3.325 1.00 0.00 C ATOM 1361 C ARG A 92 11.059 -6.394 -2.917 1.00 0.00 C ATOM 1362 O ARG A 92 12.170 -6.485 -2.394 1.00 0.00 O ATOM 1363 CB ARG A 92 9.783 -4.391 -2.135 1.00 0.00 C ATOM 1364 CG ARG A 92 9.665 -2.880 -2.245 1.00 0.00 C ATOM 1365 CD ARG A 92 10.805 -2.178 -1.526 1.00 0.00 C ATOM 1366 NE ARG A 92 10.987 -0.807 -1.993 1.00 0.00 N ATOM 1367 CZ ARG A 92 11.575 -0.493 -3.143 1.00 0.00 C ATOM 1368 NH1 ARG A 92 12.035 -1.449 -3.939 1.00 0.00 N ATOM 1369 NH2 ARG A 92 11.702 0.778 -3.498 1.00 0.00 N ATOM 0 H ARG A 92 8.593 -5.143 -4.195 1.00 0.00 H new ATOM 0 HA ARG A 92 11.324 -4.400 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.785 -4.820 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 92 10.322 -4.640 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.663 -2.590 -3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 92 8.713 -2.557 -1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.608 -2.172 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.728 -2.738 -1.678 1.00 0.00 H new ATOM 0 HE ARG A 92 10.644 -0.048 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 92 11.938 -2.428 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.486 -1.205 -4.821 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.348 1.516 -2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.153 1.018 -4.381 1.00 0.00 H new ATOM 1383 N SER A 93 10.285 -7.448 -3.157 1.00 0.00 N ATOM 1384 CA SER A 93 10.707 -8.800 -2.810 1.00 0.00 C ATOM 1385 C SER A 93 11.876 -9.248 -3.682 1.00 0.00 C ATOM 1386 O SER A 93 12.789 -9.926 -3.212 1.00 0.00 O ATOM 1387 CB SER A 93 9.538 -9.775 -2.962 1.00 0.00 C ATOM 1388 OG SER A 93 8.674 -9.715 -1.841 1.00 0.00 O ATOM 0 H SER A 93 9.363 -7.392 -3.590 1.00 0.00 H new ATOM 0 HA SER A 93 11.036 -8.796 -1.771 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.980 -9.540 -3.868 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.919 -10.790 -3.077 1.00 0.00 H new ATOM 0 HG SER A 93 7.934 -10.346 -1.964 1.00 0.00 H new