USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.667 F(o=-1.7,f=-0.67) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0741 K(o=-0.074,f=-2.3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 97:sc= 0.0704 USER MOD Single : A 46 GLN : amide:sc= -1.48 K(o=-1.5,f=-4.3) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00906) USER MOD Single : A 54 GLN : amide:sc= -0.411 K(o=-0.41,f=-2.9!) USER MOD Single : A 63 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.011) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 161:sc= -7.44! (180deg=-11!) USER MOD Single : A 85 SER OG : rot 78:sc= 0.0249 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0581 F(o=-1.2,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -2.216 -1.956 7.927 1.00 0.00 N ATOM 152 CA TRP A 14 -1.018 -1.149 8.132 1.00 0.00 C ATOM 153 C TRP A 14 -1.228 -0.140 9.255 1.00 0.00 C ATOM 154 O TRP A 14 -0.300 0.176 9.999 1.00 0.00 O ATOM 155 CB TRP A 14 -0.640 -0.423 6.840 1.00 0.00 C ATOM 156 CG TRP A 14 -1.772 0.359 6.246 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.665 -0.075 5.309 1.00 0.00 C ATOM 158 CD2 TRP A 14 -2.129 1.713 6.547 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.557 0.927 5.010 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.249 2.034 5.756 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.613 2.684 7.409 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.859 3.284 5.803 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.219 3.925 7.454 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.333 4.216 6.656 1.00 0.00 C ATOM 0 HA TRP A 14 -0.204 -1.816 8.416 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.192 0.252 7.041 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.290 -1.153 6.110 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.670 -1.061 4.868 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.324 0.858 4.341 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.756 2.468 8.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.717 3.511 5.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.827 4.683 8.116 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.786 5.195 6.715 1.00 0.00 H new ATOM 175 N GLU A 15 -2.453 0.364 9.372 1.00 0.00 N ATOM 176 CA GLU A 15 -2.782 1.339 10.404 1.00 0.00 C ATOM 177 C GLU A 15 -2.318 0.857 11.776 1.00 0.00 C ATOM 178 O GLU A 15 -2.086 1.658 12.682 1.00 0.00 O ATOM 179 CB GLU A 15 -4.289 1.601 10.427 1.00 0.00 C ATOM 180 CG GLU A 15 -4.823 2.198 9.136 1.00 0.00 C ATOM 181 CD GLU A 15 -5.199 1.141 8.116 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.941 -0.053 8.376 1.00 0.00 O ATOM 183 OE2 GLU A 15 -5.753 1.508 7.059 1.00 0.00 O ATOM 0 H GLU A 15 -3.233 0.113 8.765 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.262 2.268 10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.809 0.664 10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.519 2.275 11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.697 2.811 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.070 2.860 8.707 1.00 0.00 H new ATOM 190 N LEU A 16 -2.184 -0.457 11.920 1.00 0.00 N ATOM 191 CA LEU A 16 -1.748 -1.047 13.181 1.00 0.00 C ATOM 192 C LEU A 16 -0.286 -0.714 13.461 1.00 0.00 C ATOM 193 O LEU A 16 0.103 -0.504 14.610 1.00 0.00 O ATOM 194 CB LEU A 16 -1.940 -2.564 13.150 1.00 0.00 C ATOM 195 CG LEU A 16 -3.376 -3.063 13.315 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.441 -4.572 13.136 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.926 -2.662 14.676 1.00 0.00 C ATOM 0 H LEU A 16 -2.371 -1.134 11.180 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.357 -0.626 13.981 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.553 -2.940 12.203 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.331 -3.003 13.940 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.992 -2.600 12.545 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.471 -4.909 13.257 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.088 -4.836 12.139 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.811 -5.055 13.883 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.949 -3.025 14.776 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.308 -3.097 15.461 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.916 -1.576 14.767 1.00 0.00 H new ATOM 209 N GLN A 17 0.518 -0.665 12.404 1.00 0.00 N ATOM 210 CA GLN A 17 1.936 -0.355 12.537 1.00 0.00 C ATOM 211 C GLN A 17 2.158 1.151 12.631 1.00 0.00 C ATOM 212 O GLN A 17 3.034 1.615 13.361 1.00 0.00 O ATOM 213 CB GLN A 17 2.718 -0.925 11.352 1.00 0.00 C ATOM 214 CG GLN A 17 2.534 -2.423 11.167 1.00 0.00 C ATOM 215 CD GLN A 17 3.623 -3.043 10.314 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.479 -3.773 10.815 1.00 0.00 O ATOM 217 NE2 GLN A 17 3.597 -2.755 9.018 1.00 0.00 N ATOM 0 H GLN A 17 0.212 -0.836 11.446 1.00 0.00 H new ATOM 0 HA GLN A 17 2.298 -0.815 13.457 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.406 -0.414 10.441 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.778 -0.712 11.490 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.523 -2.907 12.143 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.565 -2.612 10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.869 -2.145 8.646 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.305 -3.143 8.395 1.00 0.00 H new ATOM 226 N ILE A 18 1.360 1.909 11.887 1.00 0.00 N ATOM 227 CA ILE A 18 1.469 3.362 11.887 1.00 0.00 C ATOM 228 C ILE A 18 0.899 3.957 13.170 1.00 0.00 C ATOM 229 O ILE A 18 -0.098 3.469 13.702 1.00 0.00 O ATOM 230 CB ILE A 18 0.740 3.982 10.679 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.350 5.341 10.330 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.746 4.122 10.973 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.627 6.058 9.212 1.00 0.00 C ATOM 0 H ILE A 18 0.631 1.541 11.276 1.00 0.00 H new ATOM 0 HA ILE A 18 2.531 3.598 11.821 1.00 0.00 H new ATOM 0 HB ILE A 18 0.860 3.320 9.821 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.344 5.972 11.219 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.393 5.200 10.046 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.248 4.561 10.111 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.171 3.139 11.178 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.886 4.766 11.841 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.114 7.014 9.018 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.655 5.447 8.310 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.410 6.231 9.501 1.00 0.00 H new ATOM 245 N SER A 19 1.538 5.014 13.661 1.00 0.00 N ATOM 246 CA SER A 19 1.095 5.675 14.883 1.00 0.00 C ATOM 247 C SER A 19 -0.302 6.261 14.709 1.00 0.00 C ATOM 248 O SER A 19 -0.772 6.492 13.594 1.00 0.00 O ATOM 249 CB SER A 19 2.079 6.779 15.276 1.00 0.00 C ATOM 250 OG SER A 19 3.101 6.276 16.118 1.00 0.00 O ATOM 0 H SER A 19 2.364 5.431 13.231 1.00 0.00 H new ATOM 0 HA SER A 19 1.060 4.929 15.677 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.523 7.211 14.379 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.546 7.581 15.786 1.00 0.00 H new ATOM 0 HG SER A 19 3.717 7.001 16.353 1.00 0.00 H new ATOM 256 N PRO A 20 -0.984 6.508 15.837 1.00 0.00 N ATOM 257 CA PRO A 20 -2.338 7.071 15.837 1.00 0.00 C ATOM 258 C PRO A 20 -2.360 8.528 15.389 1.00 0.00 C ATOM 259 O PRO A 20 -3.331 8.988 14.789 1.00 0.00 O ATOM 260 CB PRO A 20 -2.771 6.954 17.300 1.00 0.00 C ATOM 261 CG PRO A 20 -1.497 6.948 18.073 1.00 0.00 C ATOM 262 CD PRO A 20 -0.487 6.257 17.200 1.00 0.00 C ATOM 0 HA PRO A 20 -2.996 6.550 15.141 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.408 7.789 17.592 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.343 6.042 17.472 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.179 7.963 18.309 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.618 6.423 19.021 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.514 6.664 17.344 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.431 5.190 17.417 1.00 0.00 H new ATOM 270 N GLU A 21 -1.282 9.249 15.684 1.00 0.00 N ATOM 271 CA GLU A 21 -1.180 10.655 15.312 1.00 0.00 C ATOM 272 C GLU A 21 -0.831 10.802 13.833 1.00 0.00 C ATOM 273 O GLU A 21 -1.113 11.830 13.216 1.00 0.00 O ATOM 274 CB GLU A 21 -0.124 11.357 16.168 1.00 0.00 C ATOM 275 CG GLU A 21 -0.443 11.352 17.654 1.00 0.00 C ATOM 276 CD GLU A 21 0.187 12.518 18.390 1.00 0.00 C ATOM 277 OE1 GLU A 21 -0.191 13.673 18.104 1.00 0.00 O ATOM 278 OE2 GLU A 21 1.057 12.276 19.252 1.00 0.00 O ATOM 0 H GLU A 21 -0.469 8.883 16.179 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.149 11.122 15.488 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.840 10.873 16.010 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.022 12.388 15.830 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.524 11.383 17.790 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.093 10.418 18.094 1.00 0.00 H new ATOM 285 N LEU A 22 -0.214 9.768 13.272 1.00 0.00 N ATOM 286 CA LEU A 22 0.175 9.780 11.866 1.00 0.00 C ATOM 287 C LEU A 22 -1.030 9.525 10.965 1.00 0.00 C ATOM 288 O LEU A 22 -1.176 10.150 9.914 1.00 0.00 O ATOM 289 CB LEU A 22 1.253 8.727 11.605 1.00 0.00 C ATOM 290 CG LEU A 22 2.665 9.082 12.073 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.371 9.941 11.036 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.617 9.795 13.417 1.00 0.00 C ATOM 0 H LEU A 22 0.028 8.911 13.769 1.00 0.00 H new ATOM 0 HA LEU A 22 0.576 10.767 11.634 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.953 7.800 12.093 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.286 8.528 10.534 1.00 0.00 H new ATOM 0 HG LEU A 22 3.231 8.158 12.194 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.374 10.184 11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.438 9.395 10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.808 10.862 10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.630 10.040 13.735 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.035 10.711 13.322 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.152 9.144 14.158 1.00 0.00 H new ATOM 304 N LEU A 23 -1.891 8.605 11.385 1.00 0.00 N ATOM 305 CA LEU A 23 -3.085 8.268 10.617 1.00 0.00 C ATOM 306 C LEU A 23 -3.981 9.490 10.441 1.00 0.00 C ATOM 307 O LEU A 23 -4.334 9.856 9.320 1.00 0.00 O ATOM 308 CB LEU A 23 -3.862 7.148 11.311 1.00 0.00 C ATOM 309 CG LEU A 23 -5.204 6.773 10.682 1.00 0.00 C ATOM 310 CD1 LEU A 23 -4.997 6.180 9.297 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.957 5.797 11.575 1.00 0.00 C ATOM 0 H LEU A 23 -1.785 8.079 12.253 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.769 7.926 9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.233 6.258 11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.038 7.442 12.346 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.802 7.679 10.581 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.963 5.919 8.865 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.499 6.910 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.380 5.285 9.373 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.910 5.541 11.112 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.363 4.893 11.707 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.138 6.258 12.546 1.00 0.00 H new ATOM 323 N ALA A 24 -4.344 10.118 11.555 1.00 0.00 N ATOM 324 CA ALA A 24 -5.195 11.301 11.522 1.00 0.00 C ATOM 325 C ALA A 24 -4.483 12.470 10.850 1.00 0.00 C ATOM 326 O ALA A 24 -5.073 13.184 10.038 1.00 0.00 O ATOM 327 CB ALA A 24 -5.623 11.681 12.932 1.00 0.00 C ATOM 0 H ALA A 24 -4.062 9.827 12.491 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.083 11.065 10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.258 12.566 12.893 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.177 10.856 13.379 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.740 11.894 13.535 1.00 0.00 H new ATOM 333 N HIS A 25 -3.214 12.662 11.194 1.00 0.00 N ATOM 334 CA HIS A 25 -2.422 13.746 10.623 1.00 0.00 C ATOM 335 C HIS A 25 -2.318 13.603 9.108 1.00 0.00 C ATOM 336 O HIS A 25 -2.345 14.593 8.378 1.00 0.00 O ATOM 337 CB HIS A 25 -1.025 13.766 11.243 1.00 0.00 C ATOM 338 CG HIS A 25 -0.123 14.807 10.653 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.558 16.067 10.300 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.197 14.769 10.356 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.455 16.758 9.810 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.532 15.994 9.834 1.00 0.00 N ATOM 0 H HIS A 25 -2.712 12.081 11.865 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.924 14.687 10.847 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.115 13.940 12.315 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.566 12.785 11.117 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.863 13.931 10.502 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.410 17.775 9.451 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.461 16.269 9.516 1.00 0.00 H new ATOM 351 N GLY A 26 -2.197 12.363 8.642 1.00 0.00 N ATOM 352 CA GLY A 26 -2.090 12.114 7.217 1.00 0.00 C ATOM 353 C GLY A 26 -3.407 12.307 6.493 1.00 0.00 C ATOM 354 O GLY A 26 -3.511 13.137 5.590 1.00 0.00 O ATOM 0 H GLY A 26 -2.171 11.527 9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.343 12.783 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.736 11.096 7.055 1.00 0.00 H new ATOM 358 N ARG A 27 -4.416 11.538 6.889 1.00 0.00 N ATOM 359 CA ARG A 27 -5.733 11.627 6.269 1.00 0.00 C ATOM 360 C ARG A 27 -6.111 13.080 6.001 1.00 0.00 C ATOM 361 O ARG A 27 -6.512 13.432 4.892 1.00 0.00 O ATOM 362 CB ARG A 27 -6.787 10.971 7.165 1.00 0.00 C ATOM 363 CG ARG A 27 -6.740 9.452 7.149 1.00 0.00 C ATOM 364 CD ARG A 27 -7.637 8.856 8.222 1.00 0.00 C ATOM 365 NE ARG A 27 -9.053 9.045 7.919 1.00 0.00 N ATOM 366 CZ ARG A 27 -10.029 8.799 8.786 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.744 8.357 10.003 1.00 0.00 N ATOM 368 NH2 ARG A 27 -11.294 8.995 8.436 1.00 0.00 N ATOM 0 H ARG A 27 -4.347 10.847 7.636 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.695 11.098 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.649 11.320 8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.777 11.299 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.051 9.088 6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.714 9.117 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.426 7.791 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.407 9.316 9.183 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.306 9.384 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.773 8.205 10.276 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.496 8.169 10.666 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.518 9.335 7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.043 8.806 9.102 1.00 0.00 H new ATOM 382 N GLN A 28 -5.980 13.919 7.024 1.00 0.00 N ATOM 383 CA GLN A 28 -6.309 15.334 6.898 1.00 0.00 C ATOM 384 C GLN A 28 -5.481 15.990 5.799 1.00 0.00 C ATOM 385 O GLN A 28 -6.005 16.738 4.973 1.00 0.00 O ATOM 386 CB GLN A 28 -6.076 16.053 8.228 1.00 0.00 C ATOM 387 CG GLN A 28 -6.936 17.293 8.408 1.00 0.00 C ATOM 388 CD GLN A 28 -8.413 16.968 8.512 1.00 0.00 C ATOM 389 OE1 GLN A 28 -9.134 17.126 7.408 1.00 0.00 O flip ATOM 390 NE2 GLN A 28 -8.902 16.580 9.574 1.00 0.00 N flip ATOM 0 H GLN A 28 -5.649 13.643 7.948 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.362 15.414 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.276 15.361 9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.026 16.336 8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.620 17.822 9.307 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.775 17.968 7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.311 16.472 10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.898 16.366 9.629 1.00 0.00 H new ATOM 399 N LYS A 29 -4.183 15.705 5.793 1.00 0.00 N ATOM 400 CA LYS A 29 -3.280 16.266 4.795 1.00 0.00 C ATOM 401 C LYS A 29 -3.704 15.857 3.388 1.00 0.00 C ATOM 402 O LYS A 29 -3.565 16.629 2.439 1.00 0.00 O ATOM 403 CB LYS A 29 -1.845 15.807 5.060 1.00 0.00 C ATOM 404 CG LYS A 29 -1.121 16.646 6.099 1.00 0.00 C ATOM 405 CD LYS A 29 0.382 16.641 5.871 1.00 0.00 C ATOM 406 CE LYS A 29 0.792 17.681 4.840 1.00 0.00 C ATOM 407 NZ LYS A 29 0.870 19.047 5.430 1.00 0.00 N ATOM 0 H LYS A 29 -3.733 15.088 6.469 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.327 17.353 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.860 14.768 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.284 15.837 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.492 17.670 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.340 16.262 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.895 16.838 6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.697 15.652 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.760 17.412 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.075 17.681 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.152 19.727 4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.060 19.315 5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.572 19.054 6.197 1.00 0.00 H new ATOM 421 N ILE A 30 -4.221 14.640 3.261 1.00 0.00 N ATOM 422 CA ILE A 30 -4.667 14.131 1.970 1.00 0.00 C ATOM 423 C ILE A 30 -6.045 14.676 1.609 1.00 0.00 C ATOM 424 O ILE A 30 -6.331 14.950 0.443 1.00 0.00 O ATOM 425 CB ILE A 30 -4.718 12.591 1.959 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.338 12.011 2.272 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.217 12.088 0.612 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.297 10.500 2.245 1.00 0.00 C ATOM 0 H ILE A 30 -4.341 13.988 4.036 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.941 14.468 1.231 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.414 12.259 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.618 12.399 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.022 12.357 3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.248 10.998 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.218 12.478 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.543 12.427 -0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.288 10.159 2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.992 10.104 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.582 10.146 1.254 1.00 0.00 H new ATOM 440 N LEU A 31 -6.895 14.835 2.618 1.00 0.00 N ATOM 441 CA LEU A 31 -8.243 15.350 2.409 1.00 0.00 C ATOM 442 C LEU A 31 -8.203 16.759 1.826 1.00 0.00 C ATOM 443 O LEU A 31 -9.079 17.147 1.053 1.00 0.00 O ATOM 444 CB LEU A 31 -9.020 15.353 3.727 1.00 0.00 C ATOM 445 CG LEU A 31 -10.488 15.770 3.640 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.299 14.719 2.899 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.059 16.004 5.031 1.00 0.00 C ATOM 0 H LEU A 31 -6.674 14.614 3.589 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.749 14.696 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.972 14.352 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.514 16.022 4.423 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.548 16.705 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.341 15.034 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.905 14.600 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.233 13.768 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.105 16.300 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.986 15.086 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.496 16.794 5.527 1.00 0.00 H new ATOM 459 N ASP A 32 -7.181 17.520 2.201 1.00 0.00 N ATOM 460 CA ASP A 32 -7.024 18.885 1.714 1.00 0.00 C ATOM 461 C ASP A 32 -6.613 18.894 0.245 1.00 0.00 C ATOM 462 O ASP A 32 -6.886 19.851 -0.481 1.00 0.00 O ATOM 463 CB ASP A 32 -5.985 19.632 2.551 1.00 0.00 C ATOM 464 CG ASP A 32 -6.238 21.127 2.590 1.00 0.00 C ATOM 465 OD1 ASP A 32 -7.412 21.532 2.461 1.00 0.00 O ATOM 466 OD2 ASP A 32 -5.263 21.890 2.748 1.00 0.00 O ATOM 0 H ASP A 32 -6.448 17.214 2.841 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.985 19.390 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.991 19.239 3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.992 19.445 2.143 1.00 0.00 H new ATOM 471 N LEU A 33 -5.956 17.823 -0.187 1.00 0.00 N ATOM 472 CA LEU A 33 -5.507 17.707 -1.570 1.00 0.00 C ATOM 473 C LEU A 33 -6.650 17.270 -2.479 1.00 0.00 C ATOM 474 O LEU A 33 -6.674 17.598 -3.666 1.00 0.00 O ATOM 475 CB LEU A 33 -4.351 16.710 -1.669 1.00 0.00 C ATOM 476 CG LEU A 33 -3.808 16.449 -3.075 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.121 17.692 -3.620 1.00 0.00 C ATOM 478 CD2 LEU A 33 -2.849 15.268 -3.066 1.00 0.00 C ATOM 0 H LEU A 33 -5.722 17.023 0.401 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.162 18.688 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.532 17.071 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.679 15.761 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.646 16.205 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.741 17.488 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.836 18.513 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.293 17.966 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.473 15.097 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.014 15.482 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.372 14.377 -2.718 1.00 0.00 H new ATOM 490 N LEU A 34 -7.598 16.529 -1.915 1.00 0.00 N ATOM 491 CA LEU A 34 -8.747 16.049 -2.675 1.00 0.00 C ATOM 492 C LEU A 34 -9.794 17.147 -2.832 1.00 0.00 C ATOM 493 O LEU A 34 -10.531 17.179 -3.816 1.00 0.00 O ATOM 494 CB LEU A 34 -9.367 14.832 -1.984 1.00 0.00 C ATOM 495 CG LEU A 34 -8.398 13.717 -1.593 1.00 0.00 C ATOM 496 CD1 LEU A 34 -8.951 12.914 -0.426 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.120 12.809 -2.782 1.00 0.00 C ATOM 0 H LEU A 34 -7.594 16.248 -0.935 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.400 15.759 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.880 15.172 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.126 14.412 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.458 14.173 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.247 12.125 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.098 13.571 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.905 12.470 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.428 12.021 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.053 12.362 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.679 13.393 -3.590 1.00 0.00 H new ATOM 509 N ASN A 35 -9.851 18.047 -1.855 1.00 0.00 N ATOM 510 CA ASN A 35 -10.807 19.148 -1.886 1.00 0.00 C ATOM 511 C ASN A 35 -10.200 20.376 -2.559 1.00 0.00 C ATOM 512 O ASN A 35 -10.819 20.988 -3.429 1.00 0.00 O ATOM 513 CB ASN A 35 -11.256 19.501 -0.467 1.00 0.00 C ATOM 514 CG ASN A 35 -12.285 18.526 0.073 1.00 0.00 C ATOM 515 OD1 ASN A 35 -12.951 17.824 -0.689 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.421 18.479 1.393 1.00 0.00 N ATOM 0 H ASN A 35 -9.247 18.035 -1.033 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.673 18.828 -2.465 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.389 19.513 0.193 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.675 20.507 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.098 17.843 1.814 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.848 19.079 1.986 1.00 0.00 H new ATOM 523 N GLU A 36 -8.986 20.729 -2.150 1.00 0.00 N ATOM 524 CA GLU A 36 -8.296 21.883 -2.714 1.00 0.00 C ATOM 525 C GLU A 36 -7.601 21.517 -4.022 1.00 0.00 C ATOM 526 O GLU A 36 -7.630 22.279 -4.987 1.00 0.00 O ATOM 527 CB GLU A 36 -7.273 22.431 -1.716 1.00 0.00 C ATOM 528 CG GLU A 36 -7.853 22.706 -0.339 1.00 0.00 C ATOM 529 CD GLU A 36 -6.910 23.501 0.543 1.00 0.00 C ATOM 530 OE1 GLU A 36 -5.681 23.400 0.340 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.399 24.224 1.436 1.00 0.00 O ATOM 0 H GLU A 36 -8.460 20.233 -1.431 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.040 22.653 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.454 21.718 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.849 23.353 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.791 23.251 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.088 21.759 0.148 1.00 0.00 H new ATOM 538 N GLY A 37 -6.977 20.343 -4.045 1.00 0.00 N ATOM 539 CA GLY A 37 -6.283 19.896 -5.239 1.00 0.00 C ATOM 540 C GLY A 37 -7.230 19.353 -6.291 1.00 0.00 C ATOM 541 O GLY A 37 -7.952 18.387 -6.047 1.00 0.00 O ATOM 0 H GLY A 37 -6.940 19.694 -3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.716 20.727 -5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.563 19.123 -4.969 1.00 0.00 H new ATOM 545 N SER A 38 -7.228 19.978 -7.464 1.00 0.00 N ATOM 546 CA SER A 38 -8.098 19.555 -8.556 1.00 0.00 C ATOM 547 C SER A 38 -7.587 18.264 -9.188 1.00 0.00 C ATOM 548 O SER A 38 -6.520 17.765 -8.832 1.00 0.00 O ATOM 549 CB SER A 38 -8.191 20.654 -9.616 1.00 0.00 C ATOM 550 OG SER A 38 -8.636 21.874 -9.049 1.00 0.00 O ATOM 0 H SER A 38 -6.634 20.778 -7.683 1.00 0.00 H new ATOM 0 HA SER A 38 -9.091 19.370 -8.147 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.215 20.800 -10.080 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.876 20.345 -10.405 1.00 0.00 H new ATOM 0 HG SER A 38 -8.685 22.560 -9.747 1.00 0.00 H new ATOM 556 N ALA A 39 -8.358 17.728 -10.129 1.00 0.00 N ATOM 557 CA ALA A 39 -7.984 16.496 -10.813 1.00 0.00 C ATOM 558 C ALA A 39 -6.475 16.417 -11.014 1.00 0.00 C ATOM 559 O ALA A 39 -5.827 15.477 -10.554 1.00 0.00 O ATOM 560 CB ALA A 39 -8.703 16.397 -12.151 1.00 0.00 C ATOM 0 H ALA A 39 -9.245 18.128 -10.435 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.285 15.656 -10.188 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.415 15.473 -12.651 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.780 16.400 -11.986 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.429 17.248 -12.775 1.00 0.00 H new ATOM 566 N ARG A 40 -5.922 17.408 -11.706 1.00 0.00 N ATOM 567 CA ARG A 40 -4.488 17.449 -11.969 1.00 0.00 C ATOM 568 C ARG A 40 -3.693 17.253 -10.682 1.00 0.00 C ATOM 569 O ARG A 40 -2.933 16.294 -10.549 1.00 0.00 O ATOM 570 CB ARG A 40 -4.105 18.779 -12.621 1.00 0.00 C ATOM 571 CG ARG A 40 -2.607 19.034 -12.649 1.00 0.00 C ATOM 572 CD ARG A 40 -1.913 18.167 -13.687 1.00 0.00 C ATOM 573 NE ARG A 40 -0.617 18.714 -14.079 1.00 0.00 N ATOM 574 CZ ARG A 40 -0.475 19.777 -14.863 1.00 0.00 C ATOM 575 NH1 ARG A 40 -1.544 20.404 -15.335 1.00 0.00 N ATOM 576 NH2 ARG A 40 0.738 20.215 -15.176 1.00 0.00 N ATOM 0 H ARG A 40 -6.445 18.193 -12.095 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.246 16.635 -12.652 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.487 18.797 -13.642 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.593 19.592 -12.083 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.420 20.085 -12.868 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.184 18.833 -11.665 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.776 17.162 -13.287 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.549 18.076 -14.567 1.00 0.00 H new ATOM 0 HE ARG A 40 0.225 18.255 -13.732 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.478 20.070 -15.096 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.432 21.220 -15.937 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.562 19.735 -14.815 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.846 21.031 -15.778 1.00 0.00 H new ATOM 590 N ASP A 41 -3.873 18.169 -9.736 1.00 0.00 N ATOM 591 CA ASP A 41 -3.173 18.097 -8.459 1.00 0.00 C ATOM 592 C ASP A 41 -3.122 16.661 -7.947 1.00 0.00 C ATOM 593 O ASP A 41 -2.081 16.193 -7.483 1.00 0.00 O ATOM 594 CB ASP A 41 -3.856 18.996 -7.428 1.00 0.00 C ATOM 595 CG ASP A 41 -3.612 20.469 -7.690 1.00 0.00 C ATOM 596 OD1 ASP A 41 -2.437 20.891 -7.650 1.00 0.00 O ATOM 597 OD2 ASP A 41 -4.594 21.200 -7.933 1.00 0.00 O ATOM 0 H ASP A 41 -4.498 18.970 -9.830 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.151 18.445 -8.612 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.929 18.802 -7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.493 18.742 -6.432 1.00 0.00 H new ATOM 602 N LEU A 42 -4.252 15.968 -8.033 1.00 0.00 N ATOM 603 CA LEU A 42 -4.337 14.584 -7.578 1.00 0.00 C ATOM 604 C LEU A 42 -3.375 13.694 -8.358 1.00 0.00 C ATOM 605 O LEU A 42 -2.640 12.896 -7.775 1.00 0.00 O ATOM 606 CB LEU A 42 -5.767 14.064 -7.728 1.00 0.00 C ATOM 607 CG LEU A 42 -6.871 14.965 -7.172 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.241 14.374 -7.466 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.687 15.171 -5.675 1.00 0.00 C ATOM 0 H LEU A 42 -5.122 16.341 -8.413 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.056 14.556 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.962 13.896 -8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.833 13.095 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.804 15.936 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.014 15.029 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.372 14.278 -8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.320 13.391 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.481 15.814 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.727 14.207 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.721 15.639 -5.488 1.00 0.00 H new ATOM 621 N ARG A 43 -3.384 13.837 -9.679 1.00 0.00 N ATOM 622 CA ARG A 43 -2.512 13.047 -10.540 1.00 0.00 C ATOM 623 C ARG A 43 -1.078 13.057 -10.017 1.00 0.00 C ATOM 624 O ARG A 43 -0.304 12.137 -10.282 1.00 0.00 O ATOM 625 CB ARG A 43 -2.548 13.585 -11.971 1.00 0.00 C ATOM 626 CG ARG A 43 -3.930 13.542 -12.603 1.00 0.00 C ATOM 627 CD ARG A 43 -3.851 13.603 -14.121 1.00 0.00 C ATOM 628 NE ARG A 43 -2.747 14.444 -14.577 1.00 0.00 N ATOM 629 CZ ARG A 43 -2.528 14.739 -15.854 1.00 0.00 C ATOM 630 NH1 ARG A 43 -3.332 14.265 -16.795 1.00 0.00 N ATOM 631 NH2 ARG A 43 -1.503 15.511 -16.191 1.00 0.00 N ATOM 0 H ARG A 43 -3.986 14.493 -10.177 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.875 12.019 -10.537 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.189 14.614 -11.972 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.859 13.006 -12.585 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.441 12.628 -12.301 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.526 14.377 -12.235 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.728 12.596 -14.519 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.790 13.990 -14.518 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.110 14.825 -13.878 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.122 13.672 -16.540 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.161 14.493 -17.774 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.882 15.878 -15.470 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.335 15.737 -17.171 1.00 0.00 H new ATOM 645 N SER A 44 -0.732 14.103 -9.275 1.00 0.00 N ATOM 646 CA SER A 44 0.609 14.236 -8.719 1.00 0.00 C ATOM 647 C SER A 44 0.894 13.122 -7.715 1.00 0.00 C ATOM 648 O SER A 44 2.009 12.604 -7.645 1.00 0.00 O ATOM 649 CB SER A 44 0.773 15.599 -8.044 1.00 0.00 C ATOM 650 OG SER A 44 0.487 16.653 -8.948 1.00 0.00 O ATOM 0 H SER A 44 -1.362 14.871 -9.045 1.00 0.00 H new ATOM 0 HA SER A 44 1.324 14.156 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.108 15.664 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.791 15.703 -7.670 1.00 0.00 H new ATOM 0 HG SER A 44 -0.439 16.950 -8.822 1.00 0.00 H new ATOM 656 N LEU A 45 -0.122 12.759 -6.941 1.00 0.00 N ATOM 657 CA LEU A 45 0.017 11.706 -5.940 1.00 0.00 C ATOM 658 C LEU A 45 0.636 10.453 -6.551 1.00 0.00 C ATOM 659 O LEU A 45 0.915 10.408 -7.748 1.00 0.00 O ATOM 660 CB LEU A 45 -1.346 11.371 -5.332 1.00 0.00 C ATOM 661 CG LEU A 45 -1.851 12.326 -4.250 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.365 12.244 -4.130 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.191 12.016 -2.914 1.00 0.00 C ATOM 0 H LEU A 45 -1.051 13.178 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 45 0.679 12.070 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.082 11.342 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.296 10.368 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.584 13.343 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.706 12.930 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.821 12.516 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.655 11.227 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.562 12.706 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.426 10.993 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.111 12.127 -3.007 1.00 0.00 H new ATOM 675 N GLN A 46 0.846 9.438 -5.719 1.00 0.00 N ATOM 676 CA GLN A 46 1.431 8.183 -6.178 1.00 0.00 C ATOM 677 C GLN A 46 0.362 7.265 -6.761 1.00 0.00 C ATOM 678 O GLN A 46 0.328 7.023 -7.967 1.00 0.00 O ATOM 679 CB GLN A 46 2.152 7.480 -5.026 1.00 0.00 C ATOM 680 CG GLN A 46 3.090 8.390 -4.250 1.00 0.00 C ATOM 681 CD GLN A 46 2.406 9.073 -3.081 1.00 0.00 C ATOM 682 OE1 GLN A 46 2.190 8.466 -2.032 1.00 0.00 O ATOM 683 NE2 GLN A 46 2.061 10.344 -3.257 1.00 0.00 N ATOM 0 H GLN A 46 0.620 9.460 -4.725 1.00 0.00 H new ATOM 0 HA GLN A 46 2.153 8.413 -6.962 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.410 7.068 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.721 6.639 -5.423 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.934 7.807 -3.882 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.494 9.147 -4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.259 10.808 -4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.598 10.855 -2.506 1.00 0.00 H new ATOM 692 N ARG A 47 -0.510 6.757 -5.896 1.00 0.00 N ATOM 693 CA ARG A 47 -1.580 5.864 -6.324 1.00 0.00 C ATOM 694 C ARG A 47 -2.754 6.656 -6.892 1.00 0.00 C ATOM 695 O ARG A 47 -3.906 6.430 -6.519 1.00 0.00 O ATOM 696 CB ARG A 47 -2.052 5.000 -5.153 1.00 0.00 C ATOM 697 CG ARG A 47 -0.917 4.338 -4.389 1.00 0.00 C ATOM 698 CD ARG A 47 -0.390 3.114 -5.123 1.00 0.00 C ATOM 699 NE ARG A 47 0.449 3.478 -6.261 1.00 0.00 N ATOM 700 CZ ARG A 47 1.739 3.776 -6.157 1.00 0.00 C ATOM 701 NH1 ARG A 47 2.335 3.754 -4.973 1.00 0.00 N ATOM 702 NH2 ARG A 47 2.437 4.098 -7.239 1.00 0.00 N ATOM 0 H ARG A 47 -0.496 6.949 -4.894 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.187 5.217 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.629 5.618 -4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.724 4.229 -5.529 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.108 5.054 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.265 4.047 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.184 2.496 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.229 2.510 -5.469 1.00 0.00 H new ATOM 0 HE ARG A 47 0.021 3.505 -7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.803 3.508 -4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.326 3.983 -4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.983 4.117 -8.152 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.428 4.327 -7.157 1.00 0.00 H new ATOM 716 N ILE A 48 -2.454 7.584 -7.794 1.00 0.00 N ATOM 717 CA ILE A 48 -3.485 8.408 -8.413 1.00 0.00 C ATOM 718 C ILE A 48 -3.104 8.785 -9.841 1.00 0.00 C ATOM 719 O ILE A 48 -2.001 9.269 -10.093 1.00 0.00 O ATOM 720 CB ILE A 48 -3.738 9.694 -7.605 1.00 0.00 C ATOM 721 CG1 ILE A 48 -4.012 9.356 -6.138 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.900 10.474 -8.200 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.322 8.632 -5.920 1.00 0.00 C ATOM 0 H ILE A 48 -1.506 7.784 -8.112 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.398 7.812 -8.428 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.845 10.317 -7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.198 8.740 -5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.014 10.277 -5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.066 11.380 -7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.668 10.743 -9.231 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.800 9.859 -8.179 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.451 8.424 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.145 9.255 -6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.316 7.694 -6.475 1.00 0.00 H new ATOM 735 N GLY A 49 -4.025 8.560 -10.773 1.00 0.00 N ATOM 736 CA GLY A 49 -3.768 8.883 -12.164 1.00 0.00 C ATOM 737 C GLY A 49 -4.765 9.879 -12.722 1.00 0.00 C ATOM 738 O GLY A 49 -5.490 10.545 -11.982 1.00 0.00 O ATOM 0 H GLY A 49 -4.945 8.160 -10.589 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.761 9.289 -12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.801 7.970 -12.758 1.00 0.00 H new ATOM 742 N PRO A 50 -4.810 9.992 -14.058 1.00 0.00 N ATOM 743 CA PRO A 50 -5.722 10.913 -14.744 1.00 0.00 C ATOM 744 C PRO A 50 -7.178 10.476 -14.634 1.00 0.00 C ATOM 745 O PRO A 50 -8.088 11.305 -14.632 1.00 0.00 O ATOM 746 CB PRO A 50 -5.254 10.854 -16.200 1.00 0.00 C ATOM 747 CG PRO A 50 -4.603 9.521 -16.336 1.00 0.00 C ATOM 748 CD PRO A 50 -3.975 9.229 -15.001 1.00 0.00 C ATOM 0 HA PRO A 50 -5.693 11.913 -14.312 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.092 10.957 -16.889 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.556 11.660 -16.424 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.333 8.755 -16.600 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.852 9.532 -17.126 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.986 8.163 -14.776 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.934 9.551 -14.967 1.00 0.00 H new ATOM 756 N LYS A 51 -7.394 9.168 -14.542 1.00 0.00 N ATOM 757 CA LYS A 51 -8.740 8.619 -14.429 1.00 0.00 C ATOM 758 C LYS A 51 -9.357 8.966 -13.078 1.00 0.00 C ATOM 759 O LYS A 51 -10.305 9.748 -12.999 1.00 0.00 O ATOM 760 CB LYS A 51 -8.711 7.101 -14.614 1.00 0.00 C ATOM 761 CG LYS A 51 -10.014 6.528 -15.144 1.00 0.00 C ATOM 762 CD LYS A 51 -9.954 5.014 -15.255 1.00 0.00 C ATOM 763 CE LYS A 51 -10.414 4.342 -13.970 1.00 0.00 C ATOM 764 NZ LYS A 51 -11.891 4.151 -13.942 1.00 0.00 N ATOM 0 H LYS A 51 -6.653 8.467 -14.544 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.353 9.062 -15.213 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.904 6.842 -15.300 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.479 6.631 -13.658 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.833 6.813 -14.484 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.230 6.957 -16.123 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.580 4.684 -16.084 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.934 4.705 -15.483 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.921 3.375 -13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.110 4.946 -13.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.165 3.690 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.362 5.076 -14.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.179 3.554 -14.743 1.00 0.00 H new ATOM 778 N LYS A 52 -8.814 8.380 -12.017 1.00 0.00 N ATOM 779 CA LYS A 52 -9.309 8.628 -10.668 1.00 0.00 C ATOM 780 C LYS A 52 -9.374 10.125 -10.379 1.00 0.00 C ATOM 781 O LYS A 52 -10.385 10.629 -9.890 1.00 0.00 O ATOM 782 CB LYS A 52 -8.412 7.938 -9.638 1.00 0.00 C ATOM 783 CG LYS A 52 -8.794 6.492 -9.371 1.00 0.00 C ATOM 784 CD LYS A 52 -7.698 5.756 -8.619 1.00 0.00 C ATOM 785 CE LYS A 52 -8.070 4.301 -8.374 1.00 0.00 C ATOM 786 NZ LYS A 52 -7.982 3.490 -9.620 1.00 0.00 N ATOM 0 H LYS A 52 -8.030 7.729 -12.065 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.316 8.217 -10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.379 7.974 -9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.453 8.495 -8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.718 6.459 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.991 5.986 -10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.769 5.804 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.514 6.251 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.408 3.879 -7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.083 4.247 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.177 2.492 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.681 3.835 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.027 3.575 -10.023 1.00 0.00 H new ATOM 800 N ALA A 53 -8.290 10.830 -10.685 1.00 0.00 N ATOM 801 CA ALA A 53 -8.226 12.268 -10.462 1.00 0.00 C ATOM 802 C ALA A 53 -9.537 12.943 -10.850 1.00 0.00 C ATOM 803 O ALA A 53 -9.899 13.980 -10.294 1.00 0.00 O ATOM 804 CB ALA A 53 -7.068 12.873 -11.242 1.00 0.00 C ATOM 0 H ALA A 53 -7.444 10.428 -11.088 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.061 12.438 -9.398 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.033 13.948 -11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.132 12.421 -10.914 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.208 12.684 -12.306 1.00 0.00 H new ATOM 810 N GLN A 54 -10.243 12.349 -11.806 1.00 0.00 N ATOM 811 CA GLN A 54 -11.513 12.894 -12.269 1.00 0.00 C ATOM 812 C GLN A 54 -12.678 12.308 -11.478 1.00 0.00 C ATOM 813 O GLN A 54 -13.594 13.026 -11.076 1.00 0.00 O ATOM 814 CB GLN A 54 -11.701 12.612 -13.760 1.00 0.00 C ATOM 815 CG GLN A 54 -10.951 13.580 -14.661 1.00 0.00 C ATOM 816 CD GLN A 54 -11.568 14.964 -14.674 1.00 0.00 C ATOM 817 OE1 GLN A 54 -12.436 15.277 -13.858 1.00 0.00 O ATOM 818 NE2 GLN A 54 -11.124 15.802 -15.603 1.00 0.00 N ATOM 0 H GLN A 54 -9.957 11.490 -12.275 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.495 13.972 -12.110 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.368 11.597 -13.974 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.764 12.656 -13.998 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.915 13.651 -14.328 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.933 13.185 -15.677 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.403 15.501 -16.259 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.503 16.747 -15.661 1.00 0.00 H new ATOM 827 N LEU A 55 -12.637 10.998 -11.257 1.00 0.00 N ATOM 828 CA LEU A 55 -13.689 10.314 -10.514 1.00 0.00 C ATOM 829 C LEU A 55 -13.962 11.015 -9.187 1.00 0.00 C ATOM 830 O LEU A 55 -15.104 11.073 -8.729 1.00 0.00 O ATOM 831 CB LEU A 55 -13.299 8.856 -10.264 1.00 0.00 C ATOM 832 CG LEU A 55 -13.020 8.013 -11.508 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.557 6.618 -11.115 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.258 7.937 -12.390 1.00 0.00 C ATOM 0 H LEU A 55 -11.886 10.389 -11.582 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.600 10.342 -11.112 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.410 8.842 -9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.099 8.379 -9.698 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.222 8.492 -12.076 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.363 6.032 -12.014 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.643 6.691 -10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.332 6.130 -10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.041 7.333 -13.271 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.076 7.482 -11.831 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.546 8.941 -12.701 1.00 0.00 H new ATOM 846 N ILE A 56 -12.908 11.546 -8.577 1.00 0.00 N ATOM 847 CA ILE A 56 -13.036 12.245 -7.304 1.00 0.00 C ATOM 848 C ILE A 56 -13.607 13.646 -7.501 1.00 0.00 C ATOM 849 O ILE A 56 -14.569 14.034 -6.840 1.00 0.00 O ATOM 850 CB ILE A 56 -11.679 12.353 -6.583 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.201 10.969 -6.139 1.00 0.00 C ATOM 852 CG2 ILE A 56 -11.787 13.290 -5.389 1.00 0.00 C ATOM 853 CD1 ILE A 56 -10.356 10.261 -7.175 1.00 0.00 C ATOM 0 H ILE A 56 -11.957 11.506 -8.943 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.720 11.660 -6.689 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.947 12.764 -7.278 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.625 11.070 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.068 10.351 -5.905 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.820 13.356 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.088 14.281 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.530 12.905 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.052 9.286 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.936 10.128 -8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.470 10.858 -7.391 1.00 0.00 H new ATOM 865 N VAL A 57 -13.007 14.399 -8.418 1.00 0.00 N ATOM 866 CA VAL A 57 -13.458 15.756 -8.705 1.00 0.00 C ATOM 867 C VAL A 57 -14.909 15.766 -9.171 1.00 0.00 C ATOM 868 O VAL A 57 -15.765 16.403 -8.557 1.00 0.00 O ATOM 869 CB VAL A 57 -12.580 16.423 -9.781 1.00 0.00 C ATOM 870 CG1 VAL A 57 -13.162 17.768 -10.186 1.00 0.00 C ATOM 871 CG2 VAL A 57 -11.152 16.579 -9.281 1.00 0.00 C ATOM 0 H VAL A 57 -12.209 14.093 -8.974 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.374 16.321 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.564 15.781 -10.662 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.529 18.224 -10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -14.165 17.624 -10.588 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -13.210 18.421 -9.315 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.546 17.052 -10.054 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.146 17.199 -8.385 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.740 15.598 -9.046 1.00 0.00 H new ATOM 881 N GLY A 58 -15.180 15.055 -10.261 1.00 0.00 N ATOM 882 CA GLY A 58 -16.530 14.995 -10.791 1.00 0.00 C ATOM 883 C GLY A 58 -17.569 14.781 -9.709 1.00 0.00 C ATOM 884 O GLY A 58 -18.643 15.382 -9.743 1.00 0.00 O ATOM 0 H GLY A 58 -14.489 14.519 -10.787 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.749 15.921 -11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.596 14.186 -11.518 1.00 0.00 H new ATOM 888 N TRP A 59 -17.250 13.923 -8.747 1.00 0.00 N ATOM 889 CA TRP A 59 -18.166 13.630 -7.650 1.00 0.00 C ATOM 890 C TRP A 59 -18.460 14.885 -6.836 1.00 0.00 C ATOM 891 O TRP A 59 -19.591 15.371 -6.813 1.00 0.00 O ATOM 892 CB TRP A 59 -17.579 12.546 -6.744 1.00 0.00 C ATOM 893 CG TRP A 59 -18.439 12.234 -5.557 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.680 13.044 -4.484 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.170 11.025 -5.322 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.517 12.412 -3.596 1.00 0.00 N ATOM 897 CE2 TRP A 59 -19.832 11.172 -4.088 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.331 9.834 -6.035 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.640 10.172 -3.553 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.133 8.843 -5.503 1.00 0.00 C ATOM 901 CH2 TRP A 59 -20.780 9.017 -4.272 1.00 0.00 C ATOM 0 H TRP A 59 -16.365 13.418 -8.704 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.102 13.269 -8.078 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.432 11.636 -7.326 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.596 12.865 -6.398 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.273 14.036 -4.353 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -19.850 12.802 -2.714 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -18.837 9.691 -6.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.138 10.304 -2.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.264 7.918 -6.045 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.401 8.224 -3.884 1.00 0.00 H new ATOM 912 N ARG A 60 -17.435 15.406 -6.169 1.00 0.00 N ATOM 913 CA ARG A 60 -17.584 16.605 -5.353 1.00 0.00 C ATOM 914 C ARG A 60 -18.238 17.729 -6.152 1.00 0.00 C ATOM 915 O ARG A 60 -19.108 18.437 -5.647 1.00 0.00 O ATOM 916 CB ARG A 60 -16.223 17.064 -4.828 1.00 0.00 C ATOM 917 CG ARG A 60 -15.178 17.240 -5.917 1.00 0.00 C ATOM 918 CD ARG A 60 -13.821 17.604 -5.334 1.00 0.00 C ATOM 919 NE ARG A 60 -13.676 19.045 -5.144 1.00 0.00 N ATOM 920 CZ ARG A 60 -14.102 19.691 -4.065 1.00 0.00 C ATOM 921 NH1 ARG A 60 -14.697 19.027 -3.083 1.00 0.00 N ATOM 922 NH2 ARG A 60 -13.933 21.003 -3.966 1.00 0.00 N ATOM 0 H ARG A 60 -16.492 15.016 -6.178 1.00 0.00 H new ATOM 0 HA ARG A 60 -18.228 16.360 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.347 18.009 -4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.859 16.337 -4.101 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -15.092 16.319 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.499 18.019 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.689 17.097 -4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.034 17.245 -5.996 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.222 19.585 -5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.828 18.018 -3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.023 19.525 -2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.475 21.517 -4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.261 21.498 -3.137 1.00 0.00 H new ATOM 936 N GLU A 61 -17.811 17.885 -7.402 1.00 0.00 N ATOM 937 CA GLU A 61 -18.354 18.924 -8.269 1.00 0.00 C ATOM 938 C GLU A 61 -19.857 19.080 -8.057 1.00 0.00 C ATOM 939 O GLU A 61 -20.382 20.194 -8.047 1.00 0.00 O ATOM 940 CB GLU A 61 -18.067 18.596 -9.736 1.00 0.00 C ATOM 941 CG GLU A 61 -16.663 18.973 -10.180 1.00 0.00 C ATOM 942 CD GLU A 61 -16.534 20.445 -10.520 1.00 0.00 C ATOM 943 OE1 GLU A 61 -17.033 21.281 -9.738 1.00 0.00 O ATOM 944 OE2 GLU A 61 -15.934 20.761 -11.568 1.00 0.00 O ATOM 0 H GLU A 61 -17.092 17.306 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.869 19.866 -8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -18.216 17.528 -9.897 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.790 19.116 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.956 18.724 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.389 18.377 -11.051 1.00 0.00 H new ATOM 951 N LEU A 62 -20.544 17.955 -7.887 1.00 0.00 N ATOM 952 CA LEU A 62 -21.987 17.965 -7.675 1.00 0.00 C ATOM 953 C LEU A 62 -22.322 17.778 -6.198 1.00 0.00 C ATOM 954 O LEU A 62 -22.917 18.654 -5.570 1.00 0.00 O ATOM 955 CB LEU A 62 -22.652 16.865 -8.504 1.00 0.00 C ATOM 956 CG LEU A 62 -22.860 17.174 -9.986 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.920 15.889 -10.797 1.00 0.00 C ATOM 958 CD2 LEU A 62 -24.127 17.993 -10.187 1.00 0.00 C ATOM 0 H LEU A 62 -20.125 17.025 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.370 18.934 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -22.048 15.962 -8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.622 16.640 -8.061 1.00 0.00 H new ATOM 0 HG LEU A 62 -22.011 17.761 -10.337 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -23.069 16.130 -11.850 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.986 15.340 -10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.749 15.275 -10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -24.259 18.204 -11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.986 17.431 -9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -24.045 18.931 -9.638 1.00 0.00 H new ATOM 970 N HIS A 63 -21.934 16.631 -5.650 1.00 0.00 N ATOM 971 CA HIS A 63 -22.190 16.330 -4.246 1.00 0.00 C ATOM 972 C HIS A 63 -21.659 17.442 -3.346 1.00 0.00 C ATOM 973 O HIS A 63 -22.371 17.946 -2.479 1.00 0.00 O ATOM 974 CB HIS A 63 -21.548 14.997 -3.863 1.00 0.00 C ATOM 975 CG HIS A 63 -22.324 13.803 -4.326 1.00 0.00 C ATOM 976 ND1 HIS A 63 -23.029 12.984 -3.468 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.507 13.292 -5.566 1.00 0.00 C ATOM 978 CE1 HIS A 63 -23.609 12.020 -4.161 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.308 12.184 -5.436 1.00 0.00 N ATOM 0 H HIS A 63 -21.441 15.895 -6.156 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.269 16.258 -4.106 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.544 14.953 -4.284 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.441 14.953 -2.779 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -22.099 13.683 -6.486 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.225 11.232 -3.754 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.620 11.585 -6.200 1.00 0.00 H new ATOM 988 N GLY A 64 -20.401 17.818 -3.558 1.00 0.00 N ATOM 989 CA GLY A 64 -19.795 18.866 -2.758 1.00 0.00 C ATOM 990 C GLY A 64 -18.545 18.399 -2.040 1.00 0.00 C ATOM 991 O GLY A 64 -17.905 17.423 -2.435 1.00 0.00 O ATOM 0 H GLY A 64 -19.791 17.415 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.547 19.711 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.519 19.224 -2.026 1.00 0.00 H new ATOM 995 N PRO A 65 -18.178 19.105 -0.961 1.00 0.00 N ATOM 996 CA PRO A 65 -16.992 18.776 -0.165 1.00 0.00 C ATOM 997 C PRO A 65 -17.162 17.480 0.620 1.00 0.00 C ATOM 998 O PRO A 65 -18.206 17.243 1.228 1.00 0.00 O ATOM 999 CB PRO A 65 -16.864 19.966 0.790 1.00 0.00 C ATOM 1000 CG PRO A 65 -18.246 20.511 0.904 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.894 20.279 -0.434 1.00 0.00 C ATOM 0 HA PRO A 65 -16.113 18.617 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.480 19.654 1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.174 20.714 0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.799 20.009 1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.228 21.573 1.150 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.962 20.087 -0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.785 21.144 -1.089 1.00 0.00 H new ATOM 1009 N PHE A 66 -16.130 16.643 0.603 1.00 0.00 N ATOM 1010 CA PHE A 66 -16.166 15.370 1.313 1.00 0.00 C ATOM 1011 C PHE A 66 -15.982 15.578 2.813 1.00 0.00 C ATOM 1012 O PHE A 66 -15.288 16.499 3.242 1.00 0.00 O ATOM 1013 CB PHE A 66 -15.079 14.434 0.780 1.00 0.00 C ATOM 1014 CG PHE A 66 -15.174 14.185 -0.698 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -16.143 13.338 -1.211 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -14.295 14.799 -1.576 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -16.232 13.107 -2.571 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -14.379 14.572 -2.937 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.350 13.726 -3.435 1.00 0.00 C ATOM 0 H PHE A 66 -15.258 16.824 0.105 1.00 0.00 H new ATOM 0 HA PHE A 66 -17.142 14.916 1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -14.101 14.859 1.007 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -15.142 13.481 1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.837 12.853 -0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.535 15.463 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.991 12.443 -2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.686 15.056 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.420 13.549 -4.498 1.00 0.00 H new ATOM 1029 N SER A 67 -16.611 14.716 3.606 1.00 0.00 N ATOM 1030 CA SER A 67 -16.521 14.807 5.058 1.00 0.00 C ATOM 1031 C SER A 67 -15.222 14.186 5.562 1.00 0.00 C ATOM 1032 O SER A 67 -14.756 14.501 6.657 1.00 0.00 O ATOM 1033 CB SER A 67 -17.719 14.112 5.709 1.00 0.00 C ATOM 1034 OG SER A 67 -17.793 14.413 7.092 1.00 0.00 O ATOM 0 H SER A 67 -17.188 13.947 3.267 1.00 0.00 H new ATOM 0 HA SER A 67 -16.529 15.862 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.638 14.427 5.215 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.637 13.034 5.572 1.00 0.00 H new ATOM 0 HG SER A 67 -18.567 13.959 7.485 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.644 13.303 4.755 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.399 12.637 5.120 1.00 0.00 C ATOM 1042 C GLN A 68 -12.792 11.922 3.917 1.00 0.00 C ATOM 1043 O GLN A 68 -13.322 11.991 2.808 1.00 0.00 O ATOM 1044 CB GLN A 68 -13.643 11.638 6.252 1.00 0.00 C ATOM 1045 CG GLN A 68 -14.965 10.897 6.136 1.00 0.00 C ATOM 1046 CD GLN A 68 -15.472 10.395 7.473 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -16.557 10.769 7.919 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -14.688 9.542 8.121 1.00 0.00 N ATOM 0 H GLN A 68 -15.017 13.032 3.845 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.696 13.397 5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.830 10.913 6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.615 12.167 7.205 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.710 11.558 5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.846 10.053 5.457 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.796 9.259 7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.977 9.170 9.026 1.00 0.00 H new ATOM 1057 N VAL A 69 -11.677 11.235 4.144 1.00 0.00 N ATOM 1058 CA VAL A 69 -10.998 10.506 3.079 1.00 0.00 C ATOM 1059 C VAL A 69 -11.735 9.216 2.739 1.00 0.00 C ATOM 1060 O VAL A 69 -11.952 8.904 1.569 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.546 10.168 3.467 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -8.747 9.755 2.241 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -8.893 11.351 4.166 1.00 0.00 C ATOM 0 H VAL A 69 -11.225 11.168 5.056 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.990 11.157 2.205 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.560 9.327 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.724 9.520 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.205 8.876 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.738 10.572 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.868 11.095 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.890 12.212 3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.453 11.595 5.069 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.117 8.470 3.771 1.00 0.00 N ATOM 1074 CA GLU A 70 -12.830 7.212 3.581 1.00 0.00 C ATOM 1075 C GLU A 70 -14.002 7.391 2.620 1.00 0.00 C ATOM 1076 O GLU A 70 -14.403 6.453 1.931 1.00 0.00 O ATOM 1077 CB GLU A 70 -13.335 6.679 4.924 1.00 0.00 C ATOM 1078 CG GLU A 70 -12.280 6.689 6.018 1.00 0.00 C ATOM 1079 CD GLU A 70 -12.682 5.862 7.223 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -13.300 4.794 7.030 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -12.379 6.282 8.360 1.00 0.00 O ATOM 0 H GLU A 70 -11.945 8.715 4.746 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.135 6.491 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.186 7.278 5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.696 5.660 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.342 6.307 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.097 7.717 6.332 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.548 8.602 2.581 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.673 8.905 1.704 1.00 0.00 C ATOM 1090 C ASP A 71 -15.384 8.459 0.274 1.00 0.00 C ATOM 1091 O ASP A 71 -16.287 8.041 -0.451 1.00 0.00 O ATOM 1092 CB ASP A 71 -15.979 10.403 1.732 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.227 10.754 0.946 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -17.316 10.353 -0.234 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -18.114 11.430 1.509 1.00 0.00 O ATOM 0 H ASP A 71 -14.230 9.389 3.146 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.542 8.357 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.101 10.727 2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.130 10.952 1.324 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.121 8.552 -0.125 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.712 8.159 -1.469 1.00 0.00 C ATOM 1102 C LEU A 72 -14.400 6.865 -1.891 1.00 0.00 C ATOM 1103 O LEU A 72 -14.912 6.758 -3.005 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.193 7.986 -1.532 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.374 9.275 -1.615 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.892 8.958 -1.744 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.843 10.130 -2.783 1.00 0.00 C ATOM 0 H LEU A 72 -13.362 8.896 0.463 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.010 8.949 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.873 7.432 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.953 7.370 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.525 9.839 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.325 9.887 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.565 8.387 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.722 8.373 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.249 11.043 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.722 9.574 -3.713 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.894 10.387 -2.647 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.410 5.886 -0.992 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.037 4.599 -1.271 1.00 0.00 C ATOM 1121 C GLU A 73 -16.339 4.785 -2.046 1.00 0.00 C ATOM 1122 O GLU A 73 -16.600 4.079 -3.020 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.310 3.846 0.033 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.536 4.346 0.779 1.00 0.00 C ATOM 1125 CD GLU A 73 -16.810 3.557 2.045 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -15.893 2.852 2.515 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -17.942 3.645 2.565 1.00 0.00 O ATOM 0 H GLU A 73 -13.991 5.959 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.350 4.014 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.437 2.786 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.439 3.933 0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.399 5.397 1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.405 4.287 0.123 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.151 5.741 -1.606 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.426 6.019 -2.256 1.00 0.00 C ATOM 1136 C ARG A 74 -18.236 6.238 -3.754 1.00 0.00 C ATOM 1137 O ARG A 74 -18.977 5.692 -4.571 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.084 7.249 -1.629 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.646 6.998 -0.239 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.315 8.241 0.325 1.00 0.00 C ATOM 1141 NE ARG A 74 -21.577 8.537 -0.348 1.00 0.00 N ATOM 1142 CZ ARG A 74 -22.553 9.252 0.200 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -22.412 9.743 1.424 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -23.672 9.479 -0.476 1.00 0.00 N ATOM 0 H ARG A 74 -16.949 6.336 -0.802 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.075 5.155 -2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.352 8.055 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.888 7.592 -2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.367 6.182 -0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.843 6.682 0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.496 8.103 1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -19.642 9.092 0.224 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.717 8.175 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.553 9.572 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.163 10.292 1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -23.784 9.104 -1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -24.421 10.028 -0.054 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.238 7.042 -4.107 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.949 7.334 -5.506 1.00 0.00 C ATOM 1160 C VAL A 75 -16.853 6.052 -6.326 1.00 0.00 C ATOM 1161 O VAL A 75 -16.355 5.034 -5.847 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.637 8.126 -5.656 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.374 8.453 -7.118 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.682 9.394 -4.817 1.00 0.00 C ATOM 0 H VAL A 75 -16.616 7.503 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.774 7.940 -5.879 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.816 7.507 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.443 9.013 -7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -15.295 7.528 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -16.195 9.053 -7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.747 9.942 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.512 10.019 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.819 9.132 -3.768 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.332 6.111 -7.565 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.299 4.953 -8.451 1.00 0.00 C ATOM 1176 C GLU A 76 -15.865 4.607 -8.842 1.00 0.00 C ATOM 1177 O GLU A 76 -15.013 5.487 -8.959 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.130 5.222 -9.707 1.00 0.00 C ATOM 1179 CG GLU A 76 -18.409 3.975 -10.531 1.00 0.00 C ATOM 1180 CD GLU A 76 -19.064 4.289 -11.862 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -18.587 5.212 -12.555 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -20.053 3.612 -12.210 1.00 0.00 O ATOM 0 H GLU A 76 -17.747 6.947 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.726 4.105 -7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -19.078 5.674 -9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.608 5.949 -10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.474 3.444 -10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.054 3.305 -9.962 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.606 3.318 -9.040 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.275 2.878 -9.414 1.00 0.00 C ATOM 1191 C GLY A 77 -13.340 2.783 -8.225 1.00 0.00 C ATOM 1192 O GLY A 77 -12.538 1.854 -8.130 1.00 0.00 O ATOM 0 H GLY A 77 -16.294 2.571 -8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.341 1.904 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.859 3.571 -10.145 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.442 3.747 -7.316 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.598 3.769 -6.128 1.00 0.00 C ATOM 1198 C ILE A 78 -13.309 3.135 -4.937 1.00 0.00 C ATOM 1199 O ILE A 78 -13.882 3.832 -4.099 1.00 0.00 O ATOM 1200 CB ILE A 78 -12.183 5.205 -5.759 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.420 5.853 -6.917 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -11.336 5.203 -4.495 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.250 7.348 -6.767 1.00 0.00 C ATOM 0 H ILE A 78 -14.101 4.523 -7.380 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.705 3.191 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.083 5.790 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.437 5.390 -6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -11.947 5.647 -7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.050 6.225 -4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.911 4.777 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.439 4.605 -4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.701 7.739 -7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.230 7.822 -6.717 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.696 7.561 -5.853 1.00 0.00 H new ATOM 1215 N THR A 79 -13.268 1.808 -4.867 1.00 0.00 N ATOM 1216 CA THR A 79 -13.907 1.080 -3.779 1.00 0.00 C ATOM 1217 C THR A 79 -13.240 1.389 -2.444 1.00 0.00 C ATOM 1218 O THR A 79 -12.197 2.040 -2.396 1.00 0.00 O ATOM 1219 CB THR A 79 -13.866 -0.441 -4.021 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.484 -1.128 -2.927 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.433 -0.924 -4.185 1.00 0.00 C ATOM 0 H THR A 79 -12.798 1.216 -5.552 1.00 0.00 H new ATOM 0 HA THR A 79 -14.946 1.408 -3.747 1.00 0.00 H new ATOM 0 HB THR A 79 -14.413 -0.656 -4.939 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.455 -2.094 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.429 -2.001 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.975 -0.421 -5.036 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.867 -0.697 -3.282 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.848 0.916 -1.360 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.297 1.152 -0.038 1.00 0.00 C ATOM 1231 C GLY A 80 -11.931 0.520 0.142 1.00 0.00 C ATOM 1232 O GLY A 80 -11.150 0.945 0.993 1.00 0.00 O ATOM 0 H GLY A 80 -14.712 0.374 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.223 2.226 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.980 0.755 0.713 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.643 -0.499 -0.660 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.362 -1.193 -0.585 1.00 0.00 C ATOM 1238 C LYS A 81 -9.299 -0.461 -1.399 1.00 0.00 C ATOM 1239 O LYS A 81 -8.108 -0.550 -1.101 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.507 -2.630 -1.091 1.00 0.00 C ATOM 1241 CG LYS A 81 -10.891 -3.621 -0.006 1.00 0.00 C ATOM 1242 CD LYS A 81 -9.675 -4.095 0.772 1.00 0.00 C ATOM 1243 CE LYS A 81 -8.949 -5.215 0.042 1.00 0.00 C ATOM 1244 NZ LYS A 81 -7.864 -5.806 0.873 1.00 0.00 N ATOM 0 H LYS A 81 -12.279 -0.863 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.047 -1.212 0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.261 -2.655 -1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.566 -2.944 -1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.603 -3.157 0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.393 -4.478 -0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.993 -3.259 0.928 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.985 -4.442 1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.662 -5.993 -0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.527 -4.830 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.393 -6.565 0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.170 -5.070 1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.270 -6.196 1.747 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.738 0.262 -2.424 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.823 1.009 -3.278 1.00 0.00 C ATOM 1260 C GLN A 82 -8.412 2.322 -2.619 1.00 0.00 C ATOM 1261 O GLN A 82 -7.230 2.660 -2.571 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.472 1.288 -4.635 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.320 0.147 -5.628 1.00 0.00 C ATOM 1264 CD GLN A 82 -7.989 0.178 -6.353 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -7.727 1.074 -7.156 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -7.139 -0.803 -6.073 1.00 0.00 N ATOM 0 H GLN A 82 -10.721 0.346 -2.683 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.929 0.403 -3.427 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.533 1.490 -4.486 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.032 2.190 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.421 -0.803 -5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.128 0.195 -6.358 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.397 -1.525 -5.401 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.228 -0.834 -6.530 1.00 0.00 H new ATOM 1275 N MET A 83 -9.396 3.058 -2.112 1.00 0.00 N ATOM 1276 CA MET A 83 -9.136 4.333 -1.455 1.00 0.00 C ATOM 1277 C MET A 83 -8.191 4.152 -0.271 1.00 0.00 C ATOM 1278 O MET A 83 -7.477 5.078 0.112 1.00 0.00 O ATOM 1279 CB MET A 83 -10.447 4.965 -0.984 1.00 0.00 C ATOM 1280 CG MET A 83 -11.057 4.272 0.223 1.00 0.00 C ATOM 1281 SD MET A 83 -10.262 4.746 1.771 1.00 0.00 S ATOM 1282 CE MET A 83 -10.287 6.531 1.632 1.00 0.00 C ATOM 0 H MET A 83 -10.380 2.793 -2.144 1.00 0.00 H new ATOM 0 HA MET A 83 -8.661 4.996 -2.178 1.00 0.00 H new ATOM 0 HB2 MET A 83 -10.269 6.012 -0.740 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.165 4.947 -1.804 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.119 4.511 0.276 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.980 3.192 0.095 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.152 6.975 2.618 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.481 6.856 0.974 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.244 6.850 1.219 1.00 0.00 H new ATOM 1292 N GLU A 84 -8.193 2.953 0.303 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.336 2.652 1.445 1.00 0.00 C ATOM 1294 C GLU A 84 -5.878 2.528 1.012 1.00 0.00 C ATOM 1295 O GLU A 84 -4.999 3.197 1.555 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.790 1.359 2.125 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.900 1.563 3.142 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.370 1.837 4.536 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -7.278 1.327 4.866 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -9.046 2.559 5.297 1.00 0.00 O ATOM 0 H GLU A 84 -8.777 2.175 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.418 3.475 2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.131 0.658 1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.935 0.899 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.529 2.396 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.533 0.676 3.166 1.00 0.00 H new ATOM 1307 N SER A 85 -5.629 1.666 0.031 1.00 0.00 N ATOM 1308 CA SER A 85 -4.278 1.450 -0.472 1.00 0.00 C ATOM 1309 C SER A 85 -3.613 2.776 -0.831 1.00 0.00 C ATOM 1310 O SER A 85 -2.431 2.984 -0.558 1.00 0.00 O ATOM 1311 CB SER A 85 -4.307 0.533 -1.696 1.00 0.00 C ATOM 1312 OG SER A 85 -4.829 -0.742 -1.366 1.00 0.00 O ATOM 0 H SER A 85 -6.346 1.106 -0.431 1.00 0.00 H new ATOM 0 HA SER A 85 -3.696 0.973 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.914 0.986 -2.479 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.299 0.424 -2.097 1.00 0.00 H new ATOM 0 HG SER A 85 -5.805 -0.689 -1.301 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.382 3.669 -1.444 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.869 4.975 -1.842 1.00 0.00 C ATOM 1320 C PHE A 86 -3.324 5.735 -0.636 1.00 0.00 C ATOM 1321 O PHE A 86 -2.157 6.128 -0.611 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.969 5.793 -2.520 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.807 7.276 -2.347 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.623 7.903 -2.704 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.837 8.044 -1.828 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.471 9.268 -2.544 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.690 9.409 -1.667 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.506 10.021 -2.026 1.00 0.00 C ATOM 0 H PHE A 86 -5.363 3.513 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.054 4.818 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.981 5.559 -3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.936 5.492 -2.116 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.811 7.319 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.766 7.570 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.543 9.745 -2.824 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.501 9.996 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.389 11.087 -1.902 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.177 5.940 0.361 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.783 6.654 1.571 1.00 0.00 C ATOM 1340 C LEU A 87 -2.394 6.222 2.030 1.00 0.00 C ATOM 1341 O LEU A 87 -1.466 7.029 2.081 1.00 0.00 O ATOM 1342 CB LEU A 87 -4.801 6.409 2.686 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.140 7.133 2.543 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.254 6.327 3.193 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.062 8.526 3.152 1.00 0.00 C ATOM 0 H LEU A 87 -5.146 5.622 0.356 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.755 7.719 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.994 5.338 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.350 6.704 3.633 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.364 7.235 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.200 6.858 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.326 5.352 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.036 6.193 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.024 9.026 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.814 8.447 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.292 9.104 2.641 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.258 4.942 2.362 1.00 0.00 N ATOM 1358 CA LYS A 88 -0.982 4.400 2.814 1.00 0.00 C ATOM 1359 C LYS A 88 0.178 5.028 2.048 1.00 0.00 C ATOM 1360 O LYS A 88 1.052 5.663 2.639 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.960 2.880 2.637 1.00 0.00 C ATOM 1362 CG LYS A 88 0.080 2.183 3.497 1.00 0.00 C ATOM 1363 CD LYS A 88 0.569 0.898 2.850 1.00 0.00 C ATOM 1364 CE LYS A 88 1.071 -0.093 3.888 1.00 0.00 C ATOM 1365 NZ LYS A 88 2.147 -0.968 3.345 1.00 0.00 N ATOM 0 H LYS A 88 -3.016 4.261 2.326 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.868 4.639 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.945 2.480 2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.768 2.647 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.924 2.852 3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.346 1.960 4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.241 0.447 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.369 1.126 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.447 0.449 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.241 -0.710 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.462 -1.629 4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.781 -1.505 2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.950 -0.382 3.039 1.00 0.00 H new ATOM 1379 N ALA A 89 0.178 4.849 0.732 1.00 0.00 N ATOM 1380 CA ALA A 89 1.229 5.401 -0.114 1.00 0.00 C ATOM 1381 C ALA A 89 1.724 6.738 0.428 1.00 0.00 C ATOM 1382 O ALA A 89 2.896 6.881 0.775 1.00 0.00 O ATOM 1383 CB ALA A 89 0.727 5.562 -1.542 1.00 0.00 C ATOM 0 H ALA A 89 -0.538 4.326 0.228 1.00 0.00 H new ATOM 0 HA ALA A 89 2.067 4.704 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.522 5.975 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.428 4.590 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.129 6.236 -1.553 1.00 0.00 H new ATOM 1389 N ASN A 90 0.824 7.713 0.498 1.00 0.00 N ATOM 1390 CA ASN A 90 1.171 9.039 0.997 1.00 0.00 C ATOM 1391 C ASN A 90 1.468 8.996 2.493 1.00 0.00 C ATOM 1392 O ASN A 90 2.573 9.323 2.926 1.00 0.00 O ATOM 1393 CB ASN A 90 0.035 10.025 0.718 1.00 0.00 C ATOM 1394 CG ASN A 90 0.434 11.461 0.998 1.00 0.00 C ATOM 1395 OD1 ASN A 90 -0.189 12.063 2.004 1.00 0.00 O flip ATOM 1396 ND2 ASN A 90 1.293 12.022 0.317 1.00 0.00 N flip ATOM 0 H ASN A 90 -0.151 7.610 0.216 1.00 0.00 H new ATOM 0 HA ASN A 90 2.068 9.373 0.476 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.275 9.933 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.828 9.764 1.331 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.746 11.520 -0.447 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.552 12.988 0.517 1.00 0.00 H new ATOM 1403 N ILE A 91 0.474 8.592 3.276 1.00 0.00 N ATOM 1404 CA ILE A 91 0.629 8.505 4.723 1.00 0.00 C ATOM 1405 C ILE A 91 2.002 7.958 5.097 1.00 0.00 C ATOM 1406 O ILE A 91 2.838 8.673 5.650 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.456 7.611 5.353 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.816 8.310 5.302 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.087 7.261 6.786 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -2.957 7.449 5.797 1.00 0.00 C ATOM 0 H ILE A 91 -0.447 8.320 2.933 1.00 0.00 H new ATOM 0 HA ILE A 91 0.525 9.518 5.113 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.523 6.686 4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.771 9.219 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.020 8.615 4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.863 6.629 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.863 6.727 6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.004 8.176 7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.890 8.009 5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.029 6.552 5.182 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.775 7.165 6.834 1.00 0.00 H new ATOM 1422 N LEU A 92 2.230 6.686 4.789 1.00 0.00 N ATOM 1423 CA LEU A 92 3.504 6.042 5.091 1.00 0.00 C ATOM 1424 C LEU A 92 4.664 6.809 4.464 1.00 0.00 C ATOM 1425 O LEU A 92 5.800 6.724 4.928 1.00 0.00 O ATOM 1426 CB LEU A 92 3.500 4.598 4.586 1.00 0.00 C ATOM 1427 CG LEU A 92 2.754 3.585 5.455 1.00 0.00 C ATOM 1428 CD1 LEU A 92 3.160 2.166 5.088 1.00 0.00 C ATOM 1429 CD2 LEU A 92 3.016 3.852 6.930 1.00 0.00 C ATOM 0 H LEU A 92 1.550 6.080 4.330 1.00 0.00 H new ATOM 0 HA LEU A 92 3.636 6.042 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.061 4.584 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.534 4.267 4.483 1.00 0.00 H new ATOM 0 HG LEU A 92 1.685 3.695 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.619 1.459 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.920 1.978 4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.232 2.043 5.243 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.477 3.121 7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.084 3.771 7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.674 4.855 7.184 1.00 0.00 H new ATOM 1441 N GLY A 93 4.368 7.559 3.407 1.00 0.00 N ATOM 1442 CA GLY A 93 5.396 8.332 2.735 1.00 0.00 C ATOM 1443 C GLY A 93 5.820 9.550 3.532 1.00 0.00 C ATOM 1444 O GLY A 93 7.003 9.887 3.583 1.00 0.00 O ATOM 0 H GLY A 93 3.435 7.645 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.265 7.698 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.028 8.650 1.760 1.00 0.00 H new ATOM 1448 N LEU A 94 4.852 10.214 4.155 1.00 0.00 N ATOM 1449 CA LEU A 94 5.130 11.403 4.953 1.00 0.00 C ATOM 1450 C LEU A 94 6.258 11.141 5.946 1.00 0.00 C ATOM 1451 O LEU A 94 7.167 11.956 6.097 1.00 0.00 O ATOM 1452 CB LEU A 94 3.871 11.847 5.699 1.00 0.00 C ATOM 1453 CG LEU A 94 2.772 12.479 4.844 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.441 12.450 5.579 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.144 13.905 4.466 1.00 0.00 C ATOM 0 H LEU A 94 3.868 9.949 4.123 1.00 0.00 H new ATOM 0 HA LEU A 94 5.443 12.199 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.452 10.981 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.162 12.563 6.468 1.00 0.00 H new ATOM 0 HG LEU A 94 2.671 11.897 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.671 12.904 4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.169 11.418 5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.528 13.008 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.350 14.339 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.274 14.499 5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.075 13.900 3.898 1.00 0.00 H new