USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=11 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 Set 1.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 88 LYS NZ :NH3+ 180:sc=-0.00518 (180deg=-0.00518) USER MOD Single : A 17 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.36) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS :FLIP no HE2:sc= -1.58 F(o=-2.2!,f=-1.6) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.441 F(o=-1.2,f=-0.44) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.084) USER MOD Single : A 35 ASN : amide:sc= -0.487 K(o=-0.49,f=-9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.061) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0274 K(o=-0.027,f=-1.4) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) 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 64:sc= -0.49! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.39 K(o=-1.4,f=-4.4!) USER MOD Single : A 83 MET CE :methyl 158:sc= -3.7! (180deg=-7.81!) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0115 F(o=-0.65,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 151 N TRP A 14 -2.759 -1.699 8.375 1.00 0.00 N ATOM 152 CA TRP A 14 -1.476 -1.005 8.409 1.00 0.00 C ATOM 153 C TRP A 14 -1.471 0.077 9.483 1.00 0.00 C ATOM 154 O TRP A 14 -0.458 0.302 10.144 1.00 0.00 O ATOM 155 CB TRP A 14 -1.171 -0.388 7.043 1.00 0.00 C ATOM 156 CG TRP A 14 -2.286 0.462 6.513 1.00 0.00 C ATOM 157 CD1 TRP A 14 -3.220 0.102 5.584 1.00 0.00 C ATOM 158 CD2 TRP A 14 -2.581 1.814 6.879 1.00 0.00 C ATOM 159 NE1 TRP A 14 -4.079 1.149 5.351 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.709 2.211 6.133 1.00 0.00 C ATOM 161 CE3 TRP A 14 -2.004 2.728 7.765 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -4.267 3.481 6.247 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -2.560 3.988 7.877 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.682 4.355 7.122 1.00 0.00 C ATOM 0 HA TRP A 14 -0.702 -1.734 8.651 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -0.267 0.217 7.119 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.962 -1.186 6.330 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.275 -0.863 5.103 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.865 1.137 4.701 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.139 2.454 8.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.131 3.766 5.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.122 4.702 8.558 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.093 5.348 7.233 1.00 0.00 H new ATOM 175 N GLU A 15 -2.608 0.744 9.651 1.00 0.00 N ATOM 176 CA GLU A 15 -2.732 1.803 10.645 1.00 0.00 C ATOM 177 C GLU A 15 -2.294 1.312 12.022 1.00 0.00 C ATOM 178 O GLU A 15 -1.944 2.106 12.895 1.00 0.00 O ATOM 179 CB GLU A 15 -4.175 2.309 10.707 1.00 0.00 C ATOM 180 CG GLU A 15 -5.048 1.538 11.683 1.00 0.00 C ATOM 181 CD GLU A 15 -5.027 2.131 13.079 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.158 2.986 13.348 1.00 0.00 O ATOM 183 OE2 GLU A 15 -5.881 1.739 13.902 1.00 0.00 O ATOM 0 H GLU A 15 -3.456 0.570 9.112 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.079 2.623 10.347 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.170 3.362 10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.616 2.248 9.712 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.074 1.523 11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.710 0.503 11.727 1.00 0.00 H new ATOM 190 N LEU A 16 -2.317 -0.004 12.208 1.00 0.00 N ATOM 191 CA LEU A 16 -1.923 -0.603 13.478 1.00 0.00 C ATOM 192 C LEU A 16 -0.455 -0.322 13.781 1.00 0.00 C ATOM 193 O LEU A 16 -0.067 -0.178 14.940 1.00 0.00 O ATOM 194 CB LEU A 16 -2.169 -2.112 13.451 1.00 0.00 C ATOM 195 CG LEU A 16 -3.624 -2.558 13.607 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.726 -4.075 13.557 1.00 0.00 C ATOM 197 CD2 LEU A 16 -4.208 -2.025 14.907 1.00 0.00 C ATOM 0 H LEU A 16 -2.604 -0.675 11.496 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.530 -0.156 14.265 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.789 -2.505 12.508 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.582 -2.570 14.247 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.201 -2.148 12.778 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.768 -4.373 13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.347 -4.434 12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.136 -4.506 14.366 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.244 -2.352 15.002 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.629 -2.405 15.749 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.170 -0.936 14.903 1.00 0.00 H new ATOM 209 N GLN A 17 0.356 -0.243 12.731 1.00 0.00 N ATOM 210 CA GLN A 17 1.781 0.023 12.885 1.00 0.00 C ATOM 211 C GLN A 17 2.047 1.521 12.998 1.00 0.00 C ATOM 212 O GLN A 17 2.878 1.956 13.796 1.00 0.00 O ATOM 213 CB GLN A 17 2.561 -0.557 11.704 1.00 0.00 C ATOM 214 CG GLN A 17 2.313 -2.040 11.481 1.00 0.00 C ATOM 215 CD GLN A 17 3.282 -2.916 12.250 1.00 0.00 C ATOM 216 OE1 GLN A 17 4.490 -2.680 12.241 1.00 0.00 O ATOM 217 NE2 GLN A 17 2.756 -3.935 12.920 1.00 0.00 N ATOM 0 H GLN A 17 0.051 -0.359 11.765 1.00 0.00 H new ATOM 0 HA GLN A 17 2.116 -0.458 13.804 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.292 -0.012 10.799 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.626 -0.396 11.869 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.293 -2.283 11.780 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.394 -2.262 10.417 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.749 -4.093 12.899 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.359 -4.559 13.455 1.00 0.00 H new ATOM 226 N ILE A 18 1.336 2.305 12.194 1.00 0.00 N ATOM 227 CA ILE A 18 1.495 3.754 12.205 1.00 0.00 C ATOM 228 C ILE A 18 0.907 4.362 13.474 1.00 0.00 C ATOM 229 O ILE A 18 -0.097 3.881 13.998 1.00 0.00 O ATOM 230 CB ILE A 18 0.823 4.403 10.980 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.503 5.731 10.643 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.662 4.612 11.239 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.955 6.391 9.396 1.00 0.00 C ATOM 0 H ILE A 18 0.645 1.961 11.527 1.00 0.00 H new ATOM 0 HA ILE A 18 2.566 3.954 12.171 1.00 0.00 H new ATOM 0 HB ILE A 18 0.932 3.734 10.127 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.388 6.413 11.486 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.572 5.560 10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.123 5.071 10.364 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.136 3.650 11.436 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.792 5.264 12.102 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.483 7.328 9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.094 5.728 8.542 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.108 6.594 9.529 1.00 0.00 H new ATOM 245 N SER A 19 1.541 5.423 13.963 1.00 0.00 N ATOM 246 CA SER A 19 1.083 6.097 15.173 1.00 0.00 C ATOM 247 C SER A 19 -0.342 6.616 14.999 1.00 0.00 C ATOM 248 O SER A 19 -0.844 6.765 13.885 1.00 0.00 O ATOM 249 CB SER A 19 2.020 7.253 15.524 1.00 0.00 C ATOM 250 OG SER A 19 3.067 6.821 16.375 1.00 0.00 O ATOM 0 H SER A 19 2.373 5.835 13.540 1.00 0.00 H new ATOM 0 HA SER A 19 1.091 5.373 15.988 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.440 7.675 14.611 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.455 8.048 16.012 1.00 0.00 H new ATOM 0 HG SER A 19 3.653 7.578 16.583 1.00 0.00 H new ATOM 256 N PRO A 20 -1.009 6.898 16.128 1.00 0.00 N ATOM 257 CA PRO A 20 -2.384 7.405 16.128 1.00 0.00 C ATOM 258 C PRO A 20 -2.476 8.833 15.601 1.00 0.00 C ATOM 259 O PRO A 20 -3.477 9.219 14.998 1.00 0.00 O ATOM 260 CB PRO A 20 -2.781 7.354 17.606 1.00 0.00 C ATOM 261 CG PRO A 20 -1.492 7.443 18.347 1.00 0.00 C ATOM 262 CD PRO A 20 -0.473 6.744 17.490 1.00 0.00 C ATOM 0 HA PRO A 20 -3.034 6.820 15.477 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.445 8.178 17.866 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.311 6.431 17.842 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.211 8.482 18.518 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.571 6.969 19.325 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.513 7.198 17.587 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.369 5.694 17.765 1.00 0.00 H new ATOM 270 N GLU A 21 -1.424 9.613 15.832 1.00 0.00 N ATOM 271 CA GLU A 21 -1.387 10.999 15.379 1.00 0.00 C ATOM 272 C GLU A 21 -1.060 11.077 13.891 1.00 0.00 C ATOM 273 O GLU A 21 -1.446 12.026 13.207 1.00 0.00 O ATOM 274 CB GLU A 21 -0.355 11.793 16.182 1.00 0.00 C ATOM 275 CG GLU A 21 1.079 11.366 15.921 1.00 0.00 C ATOM 276 CD GLU A 21 2.007 11.702 17.072 1.00 0.00 C ATOM 277 OE1 GLU A 21 2.148 12.900 17.392 1.00 0.00 O ATOM 278 OE2 GLU A 21 2.592 10.764 17.654 1.00 0.00 O ATOM 0 H GLU A 21 -0.587 9.309 16.330 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.374 11.433 15.539 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.459 12.852 15.945 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.570 11.682 17.245 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.107 10.292 15.739 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.440 11.852 15.015 1.00 0.00 H new ATOM 285 N LEU A 22 -0.344 10.073 13.395 1.00 0.00 N ATOM 286 CA LEU A 22 0.037 10.027 11.988 1.00 0.00 C ATOM 287 C LEU A 22 -1.176 9.758 11.104 1.00 0.00 C ATOM 288 O LEU A 22 -1.309 10.331 10.022 1.00 0.00 O ATOM 289 CB LEU A 22 1.097 8.948 11.761 1.00 0.00 C ATOM 290 CG LEU A 22 2.552 9.400 11.890 1.00 0.00 C ATOM 291 CD1 LEU A 22 2.978 10.186 10.660 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.744 10.232 13.149 1.00 0.00 C ATOM 0 H LEU A 22 -0.016 9.280 13.947 1.00 0.00 H new ATOM 0 HA LEU A 22 0.452 10.998 11.718 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.924 8.141 12.473 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.954 8.530 10.764 1.00 0.00 H new ATOM 0 HG LEU A 22 3.181 8.513 11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.016 10.499 10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.880 9.558 9.775 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.343 11.065 10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.786 10.544 13.223 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.103 11.113 13.104 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.481 9.636 14.023 1.00 0.00 H new ATOM 304 N LEU A 23 -2.061 8.884 11.572 1.00 0.00 N ATOM 305 CA LEU A 23 -3.266 8.540 10.826 1.00 0.00 C ATOM 306 C LEU A 23 -4.113 9.779 10.558 1.00 0.00 C ATOM 307 O LEU A 23 -4.453 10.076 9.412 1.00 0.00 O ATOM 308 CB LEU A 23 -4.087 7.503 11.594 1.00 0.00 C ATOM 309 CG LEU A 23 -5.501 7.247 11.072 1.00 0.00 C ATOM 310 CD1 LEU A 23 -5.454 6.565 9.714 1.00 0.00 C ATOM 311 CD2 LEU A 23 -6.292 6.407 12.065 1.00 0.00 C ATOM 0 H LEU A 23 -1.966 8.401 12.465 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.962 8.117 9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.542 6.559 11.586 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.157 7.822 12.634 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.004 8.207 10.956 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.470 6.391 9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.926 7.202 9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.933 5.612 9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.296 6.235 11.677 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.791 5.450 12.213 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.356 6.934 13.017 1.00 0.00 H new ATOM 323 N ALA A 24 -4.449 10.502 11.621 1.00 0.00 N ATOM 324 CA ALA A 24 -5.252 11.712 11.501 1.00 0.00 C ATOM 325 C ALA A 24 -4.578 12.729 10.587 1.00 0.00 C ATOM 326 O ALA A 24 -5.195 13.246 9.655 1.00 0.00 O ATOM 327 CB ALA A 24 -5.504 12.317 12.874 1.00 0.00 C ATOM 0 H ALA A 24 -4.177 10.270 12.576 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.209 11.441 11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.105 13.220 12.769 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.036 11.598 13.497 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.552 12.567 13.342 1.00 0.00 H new ATOM 333 N HIS A 25 -3.309 13.014 10.861 1.00 0.00 N ATOM 334 CA HIS A 25 -2.551 13.972 10.063 1.00 0.00 C ATOM 335 C HIS A 25 -2.614 13.614 8.581 1.00 0.00 C ATOM 336 O HIS A 25 -2.968 14.446 7.747 1.00 0.00 O ATOM 337 CB HIS A 25 -1.095 14.015 10.528 1.00 0.00 C ATOM 338 CG HIS A 25 -0.421 15.327 10.266 1.00 0.00 C ATOM 339 ND1 HIS A 25 0.657 15.900 10.849 1.00 0.00 N flip ATOM 340 CD2 HIS A 25 -0.852 16.214 9.302 1.00 0.00 C flip ATOM 341 CE1 HIS A 25 0.858 17.111 10.233 1.00 0.00 C flip ATOM 342 NE2 HIS A 25 -0.066 17.276 9.303 1.00 0.00 N flip ATOM 0 H HIS A 25 -2.784 12.596 11.629 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.998 14.957 10.200 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.057 13.803 11.597 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.538 13.223 10.026 1.00 0.00 H new ATOM 0 HD1 HIS A 25 1.216 15.506 11.605 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.699 16.064 8.649 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.643 17.814 10.470 1.00 0.00 H new ATOM 351 N GLY A 26 -2.268 12.371 8.262 1.00 0.00 N ATOM 352 CA GLY A 26 -2.291 11.926 6.881 1.00 0.00 C ATOM 353 C GLY A 26 -3.644 12.131 6.229 1.00 0.00 C ATOM 354 O GLY A 26 -3.772 12.900 5.276 1.00 0.00 O ATOM 0 H GLY A 26 -1.972 11.664 8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.533 12.467 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.027 10.869 6.838 1.00 0.00 H new ATOM 358 N ARG A 27 -4.657 11.439 6.741 1.00 0.00 N ATOM 359 CA ARG A 27 -6.007 11.546 6.200 1.00 0.00 C ATOM 360 C ARG A 27 -6.337 12.994 5.847 1.00 0.00 C ATOM 361 O ARG A 27 -6.816 13.280 4.750 1.00 0.00 O ATOM 362 CB ARG A 27 -7.026 11.010 7.207 1.00 0.00 C ATOM 363 CG ARG A 27 -7.152 9.496 7.199 1.00 0.00 C ATOM 364 CD ARG A 27 -8.161 9.014 8.229 1.00 0.00 C ATOM 365 NE ARG A 27 -9.518 8.980 7.692 1.00 0.00 N ATOM 366 CZ ARG A 27 -10.584 8.644 8.410 1.00 0.00 C ATOM 367 NH1 ARG A 27 -10.451 8.316 9.687 1.00 0.00 N ATOM 368 NH2 ARG A 27 -11.787 8.637 7.849 1.00 0.00 N ATOM 0 H ARG A 27 -4.568 10.798 7.530 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.056 10.948 5.290 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.742 11.337 8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.001 11.448 6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.455 9.161 6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.180 9.048 7.404 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.882 8.018 8.571 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.132 9.670 9.099 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.655 9.228 6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.528 8.321 10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.271 8.059 10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.893 8.890 6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.605 8.379 8.400 1.00 0.00 H new ATOM 382 N GLN A 28 -6.079 13.900 6.784 1.00 0.00 N ATOM 383 CA GLN A 28 -6.350 15.317 6.572 1.00 0.00 C ATOM 384 C GLN A 28 -5.531 15.859 5.405 1.00 0.00 C ATOM 385 O GLN A 28 -6.048 16.581 4.552 1.00 0.00 O ATOM 386 CB GLN A 28 -6.041 16.113 7.841 1.00 0.00 C ATOM 387 CG GLN A 28 -6.807 17.423 7.939 1.00 0.00 C ATOM 388 CD GLN A 28 -8.309 17.224 7.910 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.973 17.861 6.952 1.00 0.00 O flip ATOM 390 NE2 GLN A 28 -8.868 16.507 8.740 1.00 0.00 N flip ATOM 0 H GLN A 28 -5.683 13.678 7.697 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.408 15.427 6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.275 15.499 8.711 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.972 16.323 7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.530 17.933 8.861 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.514 18.073 7.114 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.319 16.036 9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.880 16.384 8.708 1.00 0.00 H new ATOM 399 N LYS A 29 -4.250 15.507 5.373 1.00 0.00 N ATOM 400 CA LYS A 29 -3.358 15.957 4.311 1.00 0.00 C ATOM 401 C LYS A 29 -3.853 15.483 2.948 1.00 0.00 C ATOM 402 O LYS A 29 -3.666 16.163 1.939 1.00 0.00 O ATOM 403 CB LYS A 29 -1.939 15.441 4.557 1.00 0.00 C ATOM 404 CG LYS A 29 -1.134 16.308 5.511 1.00 0.00 C ATOM 405 CD LYS A 29 0.360 16.150 5.281 1.00 0.00 C ATOM 406 CE LYS A 29 1.156 17.182 6.065 1.00 0.00 C ATOM 407 NZ LYS A 29 1.020 18.547 5.484 1.00 0.00 N ATOM 0 H LYS A 29 -3.806 14.911 6.071 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.348 17.047 4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.994 14.429 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.413 15.379 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.415 17.353 5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.375 16.040 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.671 15.148 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.578 16.251 4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.816 17.193 7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.208 16.896 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.715 19.183 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.189 18.506 4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.060 18.906 5.662 1.00 0.00 H new ATOM 421 N ILE A 30 -4.487 14.315 2.927 1.00 0.00 N ATOM 422 CA ILE A 30 -5.011 13.754 1.688 1.00 0.00 C ATOM 423 C ILE A 30 -6.371 14.352 1.345 1.00 0.00 C ATOM 424 O ILE A 30 -6.744 14.443 0.175 1.00 0.00 O ATOM 425 CB ILE A 30 -5.143 12.222 1.776 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.773 11.582 2.011 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.780 11.672 0.509 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.850 10.172 2.552 1.00 0.00 C ATOM 0 H ILE A 30 -4.650 13.740 3.753 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.299 14.005 0.902 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.787 11.976 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.219 11.573 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.207 12.200 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.867 10.588 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.771 12.107 0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.159 11.926 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.842 9.781 2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.375 10.177 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.388 9.540 1.845 1.00 0.00 H new ATOM 440 N LEU A 31 -7.108 14.759 2.373 1.00 0.00 N ATOM 441 CA LEU A 31 -8.427 15.351 2.182 1.00 0.00 C ATOM 442 C LEU A 31 -8.314 16.763 1.615 1.00 0.00 C ATOM 443 O LEU A 31 -8.983 17.107 0.642 1.00 0.00 O ATOM 444 CB LEU A 31 -9.192 15.380 3.506 1.00 0.00 C ATOM 445 CG LEU A 31 -10.638 15.872 3.435 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.551 14.773 2.915 1.00 0.00 C ATOM 447 CD2 LEU A 31 -11.105 16.353 4.801 1.00 0.00 C ATOM 0 H LEU A 31 -6.814 14.690 3.347 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.974 14.736 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.192 14.374 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.647 16.016 4.204 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.682 16.711 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.576 15.142 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.230 14.475 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.503 13.913 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.136 16.700 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.045 15.532 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.469 17.172 5.135 1.00 0.00 H new ATOM 459 N ASP A 32 -7.461 17.574 2.231 1.00 0.00 N ATOM 460 CA ASP A 32 -7.257 18.948 1.786 1.00 0.00 C ATOM 461 C ASP A 32 -6.867 18.990 0.312 1.00 0.00 C ATOM 462 O ASP A 32 -7.173 19.952 -0.395 1.00 0.00 O ATOM 463 CB ASP A 32 -6.176 19.625 2.632 1.00 0.00 C ATOM 464 CG ASP A 32 -5.993 21.087 2.274 1.00 0.00 C ATOM 465 OD1 ASP A 32 -6.691 21.934 2.869 1.00 0.00 O ATOM 466 OD2 ASP A 32 -5.152 21.383 1.400 1.00 0.00 O ATOM 0 H ASP A 32 -6.900 17.304 3.039 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.196 19.487 1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.439 19.542 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.231 19.100 2.497 1.00 0.00 H new ATOM 471 N LEU A 33 -6.190 17.943 -0.146 1.00 0.00 N ATOM 472 CA LEU A 33 -5.758 17.860 -1.537 1.00 0.00 C ATOM 473 C LEU A 33 -6.915 17.455 -2.444 1.00 0.00 C ATOM 474 O LEU A 33 -7.051 17.961 -3.558 1.00 0.00 O ATOM 475 CB LEU A 33 -4.610 16.858 -1.676 1.00 0.00 C ATOM 476 CG LEU A 33 -4.212 16.488 -3.105 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.769 17.723 -3.872 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.109 15.439 -3.096 1.00 0.00 C ATOM 0 H LEU A 33 -5.928 17.140 0.425 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.410 18.847 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.735 17.266 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.886 15.945 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.083 16.067 -3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.490 17.440 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.587 18.442 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.912 18.174 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.838 15.187 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.236 15.834 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.462 14.544 -2.584 1.00 0.00 H new ATOM 490 N LEU A 34 -7.747 16.540 -1.959 1.00 0.00 N ATOM 491 CA LEU A 34 -8.896 16.067 -2.725 1.00 0.00 C ATOM 492 C LEU A 34 -9.899 17.194 -2.953 1.00 0.00 C ATOM 493 O LEU A 34 -10.613 17.208 -3.955 1.00 0.00 O ATOM 494 CB LEU A 34 -9.574 14.904 -1.999 1.00 0.00 C ATOM 495 CG LEU A 34 -8.768 13.608 -1.908 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.275 12.743 -0.764 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.832 12.847 -3.224 1.00 0.00 C ATOM 0 H LEU A 34 -7.648 16.111 -1.039 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.538 15.722 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.820 15.227 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.516 14.688 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.727 13.863 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.689 11.825 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.176 13.287 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.323 12.496 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.253 11.927 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.869 12.603 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.420 13.465 -4.022 1.00 0.00 H new ATOM 509 N ASN A 35 -9.944 18.137 -2.018 1.00 0.00 N ATOM 510 CA ASN A 35 -10.858 19.269 -2.118 1.00 0.00 C ATOM 511 C ASN A 35 -10.181 20.457 -2.795 1.00 0.00 C ATOM 512 O ASN A 35 -10.664 20.966 -3.805 1.00 0.00 O ATOM 513 CB ASN A 35 -11.356 19.674 -0.729 1.00 0.00 C ATOM 514 CG ASN A 35 -12.587 18.896 -0.306 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.406 18.508 -1.139 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.723 18.665 0.994 1.00 0.00 N ATOM 0 H ASN A 35 -9.359 18.140 -1.183 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.709 18.964 -2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.561 19.515 -0.000 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.584 20.740 -0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.531 18.147 1.338 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.019 19.006 1.649 1.00 0.00 H new ATOM 523 N GLU A 36 -9.059 20.893 -2.229 1.00 0.00 N ATOM 524 CA GLU A 36 -8.316 22.021 -2.778 1.00 0.00 C ATOM 525 C GLU A 36 -7.590 21.622 -4.059 1.00 0.00 C ATOM 526 O GLU A 36 -7.530 22.391 -5.018 1.00 0.00 O ATOM 527 CB GLU A 36 -7.311 22.546 -1.751 1.00 0.00 C ATOM 528 CG GLU A 36 -7.932 22.871 -0.403 1.00 0.00 C ATOM 529 CD GLU A 36 -7.161 23.936 0.353 1.00 0.00 C ATOM 530 OE1 GLU A 36 -5.981 23.693 0.681 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.737 25.012 0.616 1.00 0.00 O ATOM 0 H GLU A 36 -8.646 20.482 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.028 22.811 -3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.526 21.803 -1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.834 23.442 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.958 23.207 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.978 21.964 0.200 1.00 0.00 H new ATOM 538 N GLY A 37 -7.037 20.413 -4.068 1.00 0.00 N ATOM 539 CA GLY A 37 -6.321 19.932 -5.235 1.00 0.00 C ATOM 540 C GLY A 37 -7.253 19.470 -6.338 1.00 0.00 C ATOM 541 O GLY A 37 -8.202 18.727 -6.087 1.00 0.00 O ATOM 0 H GLY A 37 -7.072 19.758 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.678 20.726 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.671 19.107 -4.944 1.00 0.00 H new ATOM 545 N SER A 38 -6.984 19.913 -7.562 1.00 0.00 N ATOM 546 CA SER A 38 -7.809 19.545 -8.706 1.00 0.00 C ATOM 547 C SER A 38 -7.364 18.207 -9.289 1.00 0.00 C ATOM 548 O SER A 38 -6.434 17.577 -8.786 1.00 0.00 O ATOM 549 CB SER A 38 -7.741 20.631 -9.781 1.00 0.00 C ATOM 550 OG SER A 38 -8.200 21.874 -9.280 1.00 0.00 O ATOM 0 H SER A 38 -6.201 20.527 -7.787 1.00 0.00 H new ATOM 0 HA SER A 38 -8.839 19.447 -8.363 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.715 20.734 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.345 20.336 -10.639 1.00 0.00 H new ATOM 0 HG SER A 38 -8.145 22.552 -9.986 1.00 0.00 H new ATOM 556 N ALA A 39 -8.035 17.780 -10.354 1.00 0.00 N ATOM 557 CA ALA A 39 -7.708 16.519 -11.007 1.00 0.00 C ATOM 558 C ALA A 39 -6.223 16.445 -11.347 1.00 0.00 C ATOM 559 O ALA A 39 -5.546 15.477 -11.004 1.00 0.00 O ATOM 560 CB ALA A 39 -8.549 16.342 -12.263 1.00 0.00 C ATOM 0 H ALA A 39 -8.808 18.289 -10.782 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.935 15.709 -10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.295 15.396 -12.741 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.606 16.341 -11.996 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.350 17.162 -12.953 1.00 0.00 H new ATOM 566 N ARG A 40 -5.725 17.474 -12.025 1.00 0.00 N ATOM 567 CA ARG A 40 -4.320 17.525 -12.413 1.00 0.00 C ATOM 568 C ARG A 40 -3.415 17.455 -11.186 1.00 0.00 C ATOM 569 O ARG A 40 -2.372 16.801 -11.209 1.00 0.00 O ATOM 570 CB ARG A 40 -4.032 18.804 -13.201 1.00 0.00 C ATOM 571 CG ARG A 40 -4.704 18.844 -14.563 1.00 0.00 C ATOM 572 CD ARG A 40 -3.840 18.190 -15.630 1.00 0.00 C ATOM 573 NE ARG A 40 -4.556 18.030 -16.893 1.00 0.00 N ATOM 574 CZ ARG A 40 -3.980 17.625 -18.019 1.00 0.00 C ATOM 575 NH1 ARG A 40 -2.685 17.339 -18.039 1.00 0.00 N ATOM 576 NH2 ARG A 40 -4.698 17.504 -19.128 1.00 0.00 N ATOM 0 H ARG A 40 -6.273 18.283 -12.317 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.112 16.663 -13.046 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.363 19.663 -12.617 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.955 18.904 -13.334 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.666 18.335 -14.510 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.906 19.879 -14.840 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.947 18.794 -15.794 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.505 17.215 -15.277 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.554 18.241 -16.911 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.129 17.430 -17.188 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.245 17.028 -18.905 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.694 17.722 -19.117 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.254 17.193 -19.992 1.00 0.00 H new ATOM 590 N ASP A 41 -3.820 18.134 -10.119 1.00 0.00 N ATOM 591 CA ASP A 41 -3.046 18.150 -8.883 1.00 0.00 C ATOM 592 C ASP A 41 -2.996 16.760 -8.256 1.00 0.00 C ATOM 593 O ASP A 41 -1.960 16.337 -7.740 1.00 0.00 O ATOM 594 CB ASP A 41 -3.646 19.148 -7.892 1.00 0.00 C ATOM 595 CG ASP A 41 -3.373 20.587 -8.283 1.00 0.00 C ATOM 596 OD1 ASP A 41 -2.395 20.825 -9.022 1.00 0.00 O ATOM 597 OD2 ASP A 41 -4.136 21.476 -7.850 1.00 0.00 O ATOM 0 H ASP A 41 -4.680 18.681 -10.085 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.029 18.458 -9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.723 18.990 -7.828 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.237 18.960 -6.899 1.00 0.00 H new ATOM 602 N LEU A 42 -4.120 16.054 -8.304 1.00 0.00 N ATOM 603 CA LEU A 42 -4.205 14.712 -7.739 1.00 0.00 C ATOM 604 C LEU A 42 -3.306 13.743 -8.501 1.00 0.00 C ATOM 605 O LEU A 42 -2.697 12.851 -7.910 1.00 0.00 O ATOM 606 CB LEU A 42 -5.651 14.215 -7.770 1.00 0.00 C ATOM 607 CG LEU A 42 -6.645 14.987 -6.902 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.072 14.566 -7.220 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.341 14.776 -5.426 1.00 0.00 C ATOM 0 H LEU A 42 -4.985 16.388 -8.728 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.865 14.758 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.002 14.243 -8.802 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.662 13.171 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.543 16.049 -7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.765 15.126 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.286 14.770 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.188 13.500 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.059 15.333 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.413 13.715 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.333 15.129 -5.208 1.00 0.00 H new ATOM 621 N ARG A 43 -3.227 13.926 -9.815 1.00 0.00 N ATOM 622 CA ARG A 43 -2.401 13.069 -10.657 1.00 0.00 C ATOM 623 C ARG A 43 -0.999 12.921 -10.074 1.00 0.00 C ATOM 624 O ARG A 43 -0.358 11.881 -10.228 1.00 0.00 O ATOM 625 CB ARG A 43 -2.318 13.638 -12.075 1.00 0.00 C ATOM 626 CG ARG A 43 -3.526 13.307 -12.936 1.00 0.00 C ATOM 627 CD ARG A 43 -3.347 13.804 -14.362 1.00 0.00 C ATOM 628 NE ARG A 43 -2.202 13.180 -15.019 1.00 0.00 N ATOM 629 CZ ARG A 43 -0.957 13.628 -14.910 1.00 0.00 C ATOM 630 NH1 ARG A 43 -0.697 14.699 -14.172 1.00 0.00 N ATOM 631 NH2 ARG A 43 0.032 13.005 -15.538 1.00 0.00 N ATOM 0 H ARG A 43 -3.725 14.660 -10.319 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.866 12.084 -10.695 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.210 14.721 -12.017 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.421 13.253 -12.560 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.685 12.229 -12.943 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.418 13.758 -12.502 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.251 13.596 -14.934 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.216 14.886 -14.355 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.368 12.354 -15.594 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.454 15.180 -13.687 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.260 15.041 -14.090 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.164 12.180 -16.106 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.988 13.351 -15.453 1.00 0.00 H new ATOM 645 N SER A 44 -0.529 13.969 -9.404 1.00 0.00 N ATOM 646 CA SER A 44 0.799 13.958 -8.802 1.00 0.00 C ATOM 647 C SER A 44 0.938 12.803 -7.814 1.00 0.00 C ATOM 648 O SER A 44 1.959 12.116 -7.784 1.00 0.00 O ATOM 649 CB SER A 44 1.072 15.286 -8.093 1.00 0.00 C ATOM 650 OG SER A 44 1.457 16.288 -9.018 1.00 0.00 O ATOM 0 H SER A 44 -1.048 14.836 -9.265 1.00 0.00 H new ATOM 0 HA SER A 44 1.531 13.822 -9.598 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.179 15.606 -7.556 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.858 15.151 -7.350 1.00 0.00 H new ATOM 0 HG SER A 44 1.624 17.127 -8.540 1.00 0.00 H new ATOM 656 N LEU A 45 -0.097 12.596 -7.008 1.00 0.00 N ATOM 657 CA LEU A 45 -0.093 11.524 -6.018 1.00 0.00 C ATOM 658 C LEU A 45 0.501 10.246 -6.601 1.00 0.00 C ATOM 659 O LEU A 45 0.621 10.106 -7.817 1.00 0.00 O ATOM 660 CB LEU A 45 -1.514 11.258 -5.519 1.00 0.00 C ATOM 661 CG LEU A 45 -2.046 12.224 -4.459 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.564 12.163 -4.394 1.00 0.00 C ATOM 663 CD2 LEU A 45 -1.439 11.909 -3.099 1.00 0.00 C ATOM 0 H LEU A 45 -0.950 13.156 -7.020 1.00 0.00 H new ATOM 0 HA LEU A 45 0.527 11.841 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.189 11.282 -6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.551 10.247 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.756 13.237 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.924 12.857 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.981 12.437 -5.363 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.877 11.151 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.828 12.606 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.699 10.890 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.355 12.005 -3.153 1.00 0.00 H new ATOM 675 N GLN A 46 0.869 9.317 -5.724 1.00 0.00 N ATOM 676 CA GLN A 46 1.449 8.050 -6.153 1.00 0.00 C ATOM 677 C GLN A 46 0.392 7.157 -6.794 1.00 0.00 C ATOM 678 O GLN A 46 0.358 6.996 -8.014 1.00 0.00 O ATOM 679 CB GLN A 46 2.090 7.330 -4.965 1.00 0.00 C ATOM 680 CG GLN A 46 3.252 8.091 -4.348 1.00 0.00 C ATOM 681 CD GLN A 46 4.412 8.265 -5.308 1.00 0.00 C ATOM 682 OE1 GLN A 46 4.542 9.301 -5.961 1.00 0.00 O ATOM 683 NE2 GLN A 46 5.263 7.250 -5.399 1.00 0.00 N ATOM 0 H GLN A 46 0.776 9.418 -4.713 1.00 0.00 H new ATOM 0 HA GLN A 46 2.217 8.264 -6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.331 7.160 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.440 6.350 -5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.906 9.072 -4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.597 7.562 -3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.117 6.410 -4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.063 7.310 -6.029 1.00 0.00 H new ATOM 692 N ARG A 47 -0.469 6.577 -5.963 1.00 0.00 N ATOM 693 CA ARG A 47 -1.526 5.699 -6.449 1.00 0.00 C ATOM 694 C ARG A 47 -2.701 6.509 -6.989 1.00 0.00 C ATOM 695 O ARG A 47 -3.836 6.351 -6.537 1.00 0.00 O ATOM 696 CB ARG A 47 -2.003 4.772 -5.329 1.00 0.00 C ATOM 697 CG ARG A 47 -0.870 4.118 -4.556 1.00 0.00 C ATOM 698 CD ARG A 47 -0.428 2.817 -5.210 1.00 0.00 C ATOM 699 NE ARG A 47 0.591 3.037 -6.232 1.00 0.00 N ATOM 700 CZ ARG A 47 1.092 2.069 -6.991 1.00 0.00 C ATOM 701 NH1 ARG A 47 0.668 0.821 -6.844 1.00 0.00 N ATOM 702 NH2 ARG A 47 2.017 2.348 -7.900 1.00 0.00 N ATOM 0 H ARG A 47 -0.455 6.700 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.119 5.097 -7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.623 5.342 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.636 3.995 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.024 4.803 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.192 3.922 -3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.037 2.143 -4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.291 2.325 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 47 0.937 3.986 -6.371 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.044 0.603 -6.147 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.054 0.079 -7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.344 3.307 -8.017 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.401 1.604 -8.482 1.00 0.00 H new ATOM 716 N ILE A 48 -2.421 7.376 -7.956 1.00 0.00 N ATOM 717 CA ILE A 48 -3.454 8.210 -8.557 1.00 0.00 C ATOM 718 C ILE A 48 -3.130 8.522 -10.014 1.00 0.00 C ATOM 719 O ILE A 48 -1.966 8.662 -10.386 1.00 0.00 O ATOM 720 CB ILE A 48 -3.629 9.532 -7.786 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.794 9.258 -6.290 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.826 10.304 -8.324 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.109 8.600 -5.937 1.00 0.00 C ATOM 0 H ILE A 48 -1.487 7.519 -8.340 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.385 7.645 -8.508 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.735 10.139 -7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.976 8.621 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.710 10.198 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.937 11.236 -7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.671 10.526 -9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.728 9.703 -8.208 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.156 8.436 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.932 9.246 -6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.187 7.643 -6.454 1.00 0.00 H new ATOM 735 N GLY A 49 -4.170 8.633 -10.835 1.00 0.00 N ATOM 736 CA GLY A 49 -3.976 8.930 -12.242 1.00 0.00 C ATOM 737 C GLY A 49 -4.886 10.039 -12.732 1.00 0.00 C ATOM 738 O GLY A 49 -5.545 10.722 -11.948 1.00 0.00 O ATOM 0 H GLY A 49 -5.143 8.523 -10.551 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.938 9.216 -12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.158 8.029 -12.829 1.00 0.00 H new ATOM 742 N PRO A 50 -4.930 10.231 -14.059 1.00 0.00 N ATOM 743 CA PRO A 50 -5.762 11.265 -14.681 1.00 0.00 C ATOM 744 C PRO A 50 -7.251 10.950 -14.579 1.00 0.00 C ATOM 745 O PRO A 50 -8.083 11.854 -14.502 1.00 0.00 O ATOM 746 CB PRO A 50 -5.312 11.249 -16.144 1.00 0.00 C ATOM 747 CG PRO A 50 -4.780 9.874 -16.362 1.00 0.00 C ATOM 748 CD PRO A 50 -4.172 9.454 -15.053 1.00 0.00 C ATOM 0 HA PRO A 50 -5.642 12.233 -14.194 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.143 11.463 -16.816 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.548 12.003 -16.331 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.575 9.191 -16.660 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.036 9.865 -17.159 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.275 8.382 -14.888 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.107 9.682 -15.013 1.00 0.00 H new ATOM 756 N LYS A 51 -7.580 9.663 -14.578 1.00 0.00 N ATOM 757 CA LYS A 51 -8.969 9.228 -14.483 1.00 0.00 C ATOM 758 C LYS A 51 -9.503 9.418 -13.067 1.00 0.00 C ATOM 759 O LYS A 51 -10.345 10.282 -12.821 1.00 0.00 O ATOM 760 CB LYS A 51 -9.094 7.759 -14.894 1.00 0.00 C ATOM 761 CG LYS A 51 -10.504 7.356 -15.289 1.00 0.00 C ATOM 762 CD LYS A 51 -10.567 5.901 -15.723 1.00 0.00 C ATOM 763 CE LYS A 51 -12.003 5.404 -15.797 1.00 0.00 C ATOM 764 NZ LYS A 51 -12.145 4.258 -16.738 1.00 0.00 N ATOM 0 H LYS A 51 -6.904 8.902 -14.642 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.563 9.841 -15.161 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.422 7.566 -15.730 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.763 7.130 -14.068 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.178 7.515 -14.447 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.852 7.994 -16.101 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.092 5.790 -16.698 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.004 5.286 -15.021 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.334 5.102 -14.804 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.653 6.219 -16.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.138 3.948 -16.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.853 4.553 -17.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.544 3.471 -16.420 1.00 0.00 H new ATOM 778 N LYS A 52 -9.007 8.608 -12.139 1.00 0.00 N ATOM 779 CA LYS A 52 -9.432 8.688 -10.746 1.00 0.00 C ATOM 780 C LYS A 52 -9.638 10.138 -10.323 1.00 0.00 C ATOM 781 O LYS A 52 -10.568 10.452 -9.581 1.00 0.00 O ATOM 782 CB LYS A 52 -8.396 8.022 -9.837 1.00 0.00 C ATOM 783 CG LYS A 52 -9.003 7.334 -8.626 1.00 0.00 C ATOM 784 CD LYS A 52 -7.932 6.858 -7.660 1.00 0.00 C ATOM 785 CE LYS A 52 -7.376 5.502 -8.066 1.00 0.00 C ATOM 786 NZ LYS A 52 -8.164 4.382 -7.481 1.00 0.00 N ATOM 0 H LYS A 52 -8.310 7.888 -12.326 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.382 8.162 -10.651 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.834 7.290 -10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.685 8.775 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.676 8.023 -8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.604 6.485 -8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.123 7.588 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.349 6.795 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.379 5.419 -9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.338 5.423 -7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.753 3.475 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.141 4.446 -6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.149 4.442 -7.810 1.00 0.00 H new ATOM 800 N ALA A 53 -8.764 11.019 -10.800 1.00 0.00 N ATOM 801 CA ALA A 53 -8.853 12.437 -10.474 1.00 0.00 C ATOM 802 C ALA A 53 -10.189 13.020 -10.919 1.00 0.00 C ATOM 803 O ALA A 53 -10.888 13.663 -10.136 1.00 0.00 O ATOM 804 CB ALA A 53 -7.702 13.199 -11.114 1.00 0.00 C ATOM 0 H ALA A 53 -7.986 10.775 -11.413 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.785 12.540 -9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.781 14.257 -10.862 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.755 12.807 -10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.744 13.080 -12.197 1.00 0.00 H new ATOM 810 N GLN A 54 -10.538 12.793 -12.182 1.00 0.00 N ATOM 811 CA GLN A 54 -11.790 13.298 -12.731 1.00 0.00 C ATOM 812 C GLN A 54 -12.987 12.668 -12.026 1.00 0.00 C ATOM 813 O GLN A 54 -14.096 13.201 -12.066 1.00 0.00 O ATOM 814 CB GLN A 54 -11.863 13.018 -14.233 1.00 0.00 C ATOM 815 CG GLN A 54 -11.127 14.044 -15.079 1.00 0.00 C ATOM 816 CD GLN A 54 -11.966 15.273 -15.367 1.00 0.00 C ATOM 817 OE1 GLN A 54 -13.061 15.432 -14.826 1.00 0.00 O ATOM 818 NE2 GLN A 54 -11.457 16.152 -16.222 1.00 0.00 N ATOM 0 H GLN A 54 -9.971 12.263 -12.843 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.820 14.375 -12.568 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.447 12.030 -14.431 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.909 12.990 -14.539 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.214 14.345 -14.566 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.827 13.585 -16.021 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.546 15.981 -16.647 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.977 16.998 -16.453 1.00 0.00 H new ATOM 827 N LEU A 55 -12.755 11.530 -11.381 1.00 0.00 N ATOM 828 CA LEU A 55 -13.815 10.825 -10.667 1.00 0.00 C ATOM 829 C LEU A 55 -14.077 11.469 -9.309 1.00 0.00 C ATOM 830 O LEU A 55 -15.223 11.568 -8.869 1.00 0.00 O ATOM 831 CB LEU A 55 -13.442 9.353 -10.483 1.00 0.00 C ATOM 832 CG LEU A 55 -13.351 8.519 -11.762 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.963 7.085 -11.437 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.671 8.558 -12.518 1.00 0.00 C ATOM 0 H LEU A 55 -11.843 11.076 -11.337 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.726 10.890 -11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.481 9.304 -9.972 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.178 8.892 -9.824 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.577 8.948 -12.399 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.903 6.506 -12.359 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.994 7.074 -10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.714 6.645 -10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.589 7.959 -13.425 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.463 8.154 -11.888 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.908 9.588 -12.783 1.00 0.00 H new ATOM 846 N ILE A 56 -13.009 11.907 -8.652 1.00 0.00 N ATOM 847 CA ILE A 56 -13.124 12.544 -7.346 1.00 0.00 C ATOM 848 C ILE A 56 -13.556 14.000 -7.481 1.00 0.00 C ATOM 849 O ILE A 56 -14.434 14.468 -6.756 1.00 0.00 O ATOM 850 CB ILE A 56 -11.794 12.485 -6.571 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.311 11.038 -6.454 1.00 0.00 C ATOM 852 CG2 ILE A 56 -11.956 13.108 -5.193 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.808 10.910 -6.336 1.00 0.00 C ATOM 0 H ILE A 56 -12.054 11.833 -9.002 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.883 11.992 -6.792 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.045 13.055 -7.120 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.776 10.578 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.648 10.479 -7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.008 13.059 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.260 14.150 -5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.717 12.563 -4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.538 9.857 -6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.336 11.341 -7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.466 11.440 -5.447 1.00 0.00 H new ATOM 865 N VAL A 57 -12.934 14.712 -8.415 1.00 0.00 N ATOM 866 CA VAL A 57 -13.257 16.115 -8.648 1.00 0.00 C ATOM 867 C VAL A 57 -14.684 16.273 -9.159 1.00 0.00 C ATOM 868 O VAL A 57 -15.423 17.147 -8.706 1.00 0.00 O ATOM 869 CB VAL A 57 -12.287 16.753 -9.661 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.641 18.214 -9.892 1.00 0.00 C ATOM 871 CG2 VAL A 57 -10.850 16.613 -9.183 1.00 0.00 C ATOM 0 H VAL A 57 -12.204 14.341 -9.023 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.159 16.626 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.383 16.227 -10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -11.945 18.648 -10.610 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.656 18.285 -10.282 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.576 18.758 -8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.179 17.069 -9.910 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.736 17.113 -8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.604 15.557 -9.074 1.00 0.00 H new ATOM 881 N GLY A 58 -15.067 15.421 -10.105 1.00 0.00 N ATOM 882 CA GLY A 58 -16.406 15.483 -10.662 1.00 0.00 C ATOM 883 C GLY A 58 -17.475 15.159 -9.638 1.00 0.00 C ATOM 884 O GLY A 58 -18.599 15.653 -9.726 1.00 0.00 O ATOM 0 H GLY A 58 -14.474 14.689 -10.496 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.583 16.480 -11.064 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.482 14.785 -11.496 1.00 0.00 H new ATOM 888 N TRP A 59 -17.126 14.326 -8.664 1.00 0.00 N ATOM 889 CA TRP A 59 -18.066 13.935 -7.619 1.00 0.00 C ATOM 890 C TRP A 59 -18.302 15.082 -6.642 1.00 0.00 C ATOM 891 O TRP A 59 -19.415 15.594 -6.530 1.00 0.00 O ATOM 892 CB TRP A 59 -17.545 12.709 -6.868 1.00 0.00 C ATOM 893 CG TRP A 59 -18.441 12.273 -5.748 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.759 12.987 -4.629 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.131 11.024 -5.639 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.606 12.257 -3.830 1.00 0.00 N ATOM 897 CE2 TRP A 59 -19.850 11.049 -4.428 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.213 9.887 -6.448 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.638 9.981 -4.008 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -19.996 8.827 -6.029 1.00 0.00 C ATOM 901 CH2 TRP A 59 -20.700 8.880 -4.819 1.00 0.00 C ATOM 0 H TRP A 59 -16.200 13.908 -8.576 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.015 13.685 -8.094 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.427 11.884 -7.571 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.556 12.931 -6.467 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.398 13.980 -4.404 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -19.991 12.565 -2.937 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -18.675 9.837 -7.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.181 10.020 -3.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.066 7.943 -6.645 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.303 8.036 -4.520 1.00 0.00 H new ATOM 912 N ARG A 60 -17.247 15.481 -5.939 1.00 0.00 N ATOM 913 CA ARG A 60 -17.341 16.567 -4.971 1.00 0.00 C ATOM 914 C ARG A 60 -17.969 17.806 -5.603 1.00 0.00 C ATOM 915 O ARG A 60 -18.890 18.399 -5.043 1.00 0.00 O ATOM 916 CB ARG A 60 -15.955 16.909 -4.421 1.00 0.00 C ATOM 917 CG ARG A 60 -14.974 17.373 -5.486 1.00 0.00 C ATOM 918 CD ARG A 60 -13.612 17.691 -4.889 1.00 0.00 C ATOM 919 NE ARG A 60 -13.602 18.980 -4.203 1.00 0.00 N ATOM 920 CZ ARG A 60 -13.627 20.148 -4.835 1.00 0.00 C ATOM 921 NH1 ARG A 60 -13.663 20.189 -6.160 1.00 0.00 N ATOM 922 NH2 ARG A 60 -13.616 21.279 -4.141 1.00 0.00 N ATOM 0 H ARG A 60 -16.318 15.069 -6.022 1.00 0.00 H new ATOM 0 HA ARG A 60 -17.979 16.236 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.055 17.689 -3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.546 16.032 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.867 16.599 -6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.369 18.258 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.331 16.905 -4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.862 17.695 -5.680 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.574 18.984 -3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.672 19.322 -6.697 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.682 21.088 -6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.588 21.252 -3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.635 22.176 -4.627 1.00 0.00 H new ATOM 936 N GLU A 61 -17.464 18.189 -6.771 1.00 0.00 N ATOM 937 CA GLU A 61 -17.975 19.358 -7.477 1.00 0.00 C ATOM 938 C GLU A 61 -19.497 19.428 -7.381 1.00 0.00 C ATOM 939 O GLU A 61 -20.083 20.512 -7.415 1.00 0.00 O ATOM 940 CB GLU A 61 -17.547 19.321 -8.946 1.00 0.00 C ATOM 941 CG GLU A 61 -16.144 19.853 -9.184 1.00 0.00 C ATOM 942 CD GLU A 61 -16.115 21.357 -9.378 1.00 0.00 C ATOM 943 OE1 GLU A 61 -16.661 21.834 -10.395 1.00 0.00 O ATOM 944 OE2 GLU A 61 -15.547 22.056 -8.513 1.00 0.00 O ATOM 0 H GLU A 61 -16.702 17.707 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.557 20.248 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.603 18.294 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.253 19.905 -9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -15.510 19.587 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.720 19.369 -10.064 1.00 0.00 H new ATOM 951 N LEU A 62 -20.131 18.267 -7.262 1.00 0.00 N ATOM 952 CA LEU A 62 -21.584 18.196 -7.162 1.00 0.00 C ATOM 953 C LEU A 62 -22.022 18.035 -5.709 1.00 0.00 C ATOM 954 O LEU A 62 -22.711 18.895 -5.159 1.00 0.00 O ATOM 955 CB LEU A 62 -22.116 17.032 -7.999 1.00 0.00 C ATOM 956 CG LEU A 62 -22.220 17.280 -9.504 1.00 0.00 C ATOM 957 CD1 LEU A 62 -22.681 16.021 -10.222 1.00 0.00 C ATOM 958 CD2 LEU A 62 -23.168 18.436 -9.790 1.00 0.00 C ATOM 0 H LEU A 62 -19.662 17.362 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 62 -21.996 19.129 -7.546 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -21.470 16.169 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.105 16.764 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 62 -21.231 17.546 -9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -22.749 16.217 -11.292 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -21.965 15.218 -10.045 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.660 15.724 -9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -23.230 18.598 -10.866 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -24.158 18.199 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -22.796 19.340 -9.308 1.00 0.00 H new ATOM 970 N HIS A 63 -21.617 16.929 -5.093 1.00 0.00 N ATOM 971 CA HIS A 63 -21.966 16.656 -3.704 1.00 0.00 C ATOM 972 C HIS A 63 -21.341 17.693 -2.774 1.00 0.00 C ATOM 973 O HIS A 63 -22.028 18.296 -1.950 1.00 0.00 O ATOM 974 CB HIS A 63 -21.505 15.254 -3.306 1.00 0.00 C ATOM 975 CG HIS A 63 -22.434 14.168 -3.755 1.00 0.00 C ATOM 976 ND1 HIS A 63 -23.401 13.620 -2.938 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.543 13.531 -4.944 1.00 0.00 C ATOM 978 CE1 HIS A 63 -24.062 12.690 -3.605 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.561 12.617 -4.825 1.00 0.00 N ATOM 0 H HIS A 63 -21.047 16.207 -5.534 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.050 16.714 -3.609 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.516 15.072 -3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.403 15.208 -2.222 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -21.941 13.708 -5.823 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.874 12.092 -3.218 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.879 11.984 -5.559 1.00 0.00 H new ATOM 988 N GLY A 64 -20.034 17.893 -2.912 1.00 0.00 N ATOM 989 CA GLY A 64 -19.339 18.856 -2.077 1.00 0.00 C ATOM 990 C GLY A 64 -18.072 18.288 -1.469 1.00 0.00 C ATOM 991 O GLY A 64 -17.493 17.327 -1.974 1.00 0.00 O ATOM 0 H GLY A 64 -19.444 17.406 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.091 19.735 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.004 19.188 -1.280 1.00 0.00 H new ATOM 995 N PRO A 65 -17.622 18.892 -0.359 1.00 0.00 N ATOM 996 CA PRO A 65 -16.410 18.458 0.341 1.00 0.00 C ATOM 997 C PRO A 65 -16.589 17.109 1.030 1.00 0.00 C ATOM 998 O PRO A 65 -17.553 16.900 1.766 1.00 0.00 O ATOM 999 CB PRO A 65 -16.185 19.561 1.378 1.00 0.00 C ATOM 1000 CG PRO A 65 -17.537 20.143 1.611 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.262 20.044 0.298 1.00 0.00 C ATOM 0 HA PRO A 65 -15.573 18.319 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.763 19.159 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.488 20.314 1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.067 19.598 2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.464 21.180 1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.331 19.883 0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.153 20.955 -0.291 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.655 16.196 0.785 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.710 14.866 1.381 1.00 0.00 C ATOM 1011 C PHE A 66 -15.503 14.938 2.891 1.00 0.00 C ATOM 1012 O PHE A 66 -14.396 15.196 3.365 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.652 13.958 0.752 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.835 13.758 -0.725 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.791 12.877 -1.205 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -14.052 14.450 -1.634 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -15.961 12.690 -2.564 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -14.218 14.268 -2.994 1.00 0.00 C ATOM 1019 CZ PHE A 66 -15.174 13.388 -3.460 1.00 0.00 C ATOM 0 H PHE A 66 -14.851 16.353 0.178 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.698 14.449 1.187 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.665 14.384 0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -14.676 12.988 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.410 12.330 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.303 15.140 -1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.708 11.999 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.600 14.814 -3.692 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.307 13.245 -4.522 1.00 0.00 H new ATOM 1029 N SER A 67 -16.576 14.709 3.641 1.00 0.00 N ATOM 1030 CA SER A 67 -16.514 14.752 5.097 1.00 0.00 C ATOM 1031 C SER A 67 -15.331 13.938 5.615 1.00 0.00 C ATOM 1032 O SER A 67 -14.718 14.287 6.623 1.00 0.00 O ATOM 1033 CB SER A 67 -17.815 14.220 5.700 1.00 0.00 C ATOM 1034 OG SER A 67 -17.801 14.322 7.114 1.00 0.00 O ATOM 0 H SER A 67 -17.499 14.492 3.264 1.00 0.00 H new ATOM 0 HA SER A 67 -16.379 15.791 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.660 14.780 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.956 13.179 5.409 1.00 0.00 H new ATOM 0 HG SER A 67 -18.644 13.977 7.475 1.00 0.00 H new ATOM 1040 N GLN A 68 -15.017 12.852 4.916 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.909 11.988 5.305 1.00 0.00 C ATOM 1042 C GLN A 68 -13.349 11.244 4.097 1.00 0.00 C ATOM 1043 O GLN A 68 -14.092 10.851 3.197 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.364 10.987 6.368 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.322 9.932 5.841 1.00 0.00 C ATOM 1046 CD GLN A 68 -16.279 9.428 6.904 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -15.873 8.759 7.854 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -17.558 9.749 6.749 1.00 0.00 N ATOM 0 H GLN A 68 -15.514 12.550 4.078 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.121 12.616 5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.488 10.493 6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.845 11.528 7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -15.893 10.348 5.011 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -14.750 9.093 5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.850 10.306 5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -18.248 9.439 7.433 1.00 0.00 H new ATOM 1057 N VAL A 69 -12.033 11.056 4.082 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.373 10.359 2.985 1.00 0.00 C ATOM 1059 C VAL A 69 -12.038 9.016 2.707 1.00 0.00 C ATOM 1060 O VAL A 69 -12.075 8.555 1.567 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.880 10.127 3.284 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.140 9.708 2.023 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.257 11.377 3.887 1.00 0.00 C ATOM 0 H VAL A 69 -11.403 11.377 4.817 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.465 10.996 2.105 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.795 9.319 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.087 9.549 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.571 8.783 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.231 10.491 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.202 11.195 4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.353 12.206 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.769 11.627 4.816 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.564 8.394 3.757 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.229 7.102 3.625 1.00 0.00 C ATOM 1075 C GLU A 70 -14.293 7.147 2.533 1.00 0.00 C ATOM 1076 O GLU A 70 -14.721 6.111 2.025 1.00 0.00 O ATOM 1077 CB GLU A 70 -13.865 6.693 4.956 1.00 0.00 C ATOM 1078 CG GLU A 70 -13.937 5.189 5.158 1.00 0.00 C ATOM 1079 CD GLU A 70 -12.569 4.535 5.164 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -11.970 4.424 6.254 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -12.099 4.134 4.079 1.00 0.00 O ATOM 0 H GLU A 70 -12.543 8.763 4.708 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.478 6.362 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.294 7.134 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.872 7.107 5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.441 4.977 6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.543 4.748 4.366 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.716 8.355 2.176 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.729 8.537 1.144 1.00 0.00 C ATOM 1090 C ASP A 71 -15.280 7.913 -0.174 1.00 0.00 C ATOM 1091 O ASP A 71 -16.089 7.354 -0.916 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.024 10.024 0.944 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.412 10.270 0.386 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -18.374 10.311 1.183 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -17.537 10.421 -0.847 1.00 0.00 O ATOM 0 H ASP A 71 -14.372 9.223 2.587 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.640 8.035 1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.922 10.543 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.283 10.450 0.268 1.00 0.00 H new ATOM 1100 N LEU A 72 -13.987 8.014 -0.460 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.430 7.461 -1.690 1.00 0.00 C ATOM 1102 C LEU A 72 -13.997 6.073 -1.968 1.00 0.00 C ATOM 1103 O LEU A 72 -14.214 5.701 -3.121 1.00 0.00 O ATOM 1104 CB LEU A 72 -11.905 7.392 -1.596 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.166 8.729 -1.673 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.671 8.525 -1.480 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.445 9.415 -3.003 1.00 0.00 C ATOM 0 H LEU A 72 -13.304 8.474 0.143 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.708 8.118 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.641 6.907 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.540 6.751 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.530 9.371 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.162 9.487 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.488 8.076 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.290 7.865 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.912 10.365 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.108 8.776 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.515 9.596 -3.102 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.236 5.313 -0.904 1.00 0.00 N ATOM 1120 CA GLU A 73 -14.780 3.966 -1.036 1.00 0.00 C ATOM 1121 C GLU A 73 -16.140 3.993 -1.727 1.00 0.00 C ATOM 1122 O GLU A 73 -16.422 3.170 -2.598 1.00 0.00 O ATOM 1123 CB GLU A 73 -14.908 3.307 0.340 1.00 0.00 C ATOM 1124 CG GLU A 73 -15.796 2.074 0.344 1.00 0.00 C ATOM 1125 CD GLU A 73 -15.978 1.492 1.732 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -15.405 2.050 2.690 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -16.695 0.477 1.859 1.00 0.00 O ATOM 0 H GLU A 73 -14.062 5.606 0.057 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.092 3.383 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.915 3.031 0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.308 4.035 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.771 2.332 -0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.363 1.317 -0.310 1.00 0.00 H new ATOM 1134 N ARG A 74 -16.979 4.945 -1.332 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.310 5.079 -1.912 1.00 0.00 C ATOM 1136 C ARG A 74 -18.275 5.963 -3.155 1.00 0.00 C ATOM 1137 O ARG A 74 -19.248 6.647 -3.471 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.280 5.664 -0.884 1.00 0.00 C ATOM 1139 CG ARG A 74 -18.952 7.092 -0.480 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.202 7.860 -0.080 1.00 0.00 C ATOM 1141 NE ARG A 74 -20.960 7.167 0.958 1.00 0.00 N ATOM 1142 CZ ARG A 74 -21.930 7.738 1.664 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -22.257 9.004 1.445 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -22.575 7.042 2.592 1.00 0.00 N ATOM 0 H ARG A 74 -16.761 5.635 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.654 4.087 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -20.290 5.634 -1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.277 5.034 0.005 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.248 7.083 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.460 7.602 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.920 8.851 0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -20.835 8.005 -0.956 1.00 0.00 H new ATOM 0 HE ARG A 74 -20.732 6.192 1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -21.764 9.542 0.733 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.002 9.440 1.989 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -22.326 6.068 2.764 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -23.319 7.481 3.133 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.146 5.943 -3.857 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.984 6.742 -5.066 1.00 0.00 C ATOM 1160 C VAL A 75 -16.783 5.853 -6.289 1.00 0.00 C ATOM 1161 O VAL A 75 -15.837 5.068 -6.349 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.790 7.708 -4.945 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.556 8.435 -6.260 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -16.019 8.697 -3.813 1.00 0.00 C ATOM 0 H VAL A 75 -16.331 5.382 -3.609 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.899 7.321 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.897 7.127 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.709 9.113 -6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -15.345 7.709 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -16.447 9.005 -6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -15.166 9.372 -3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.923 9.274 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -16.133 8.155 -2.874 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.679 5.984 -7.262 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.599 5.192 -8.484 1.00 0.00 C ATOM 1176 C GLU A 76 -16.146 4.976 -8.899 1.00 0.00 C ATOM 1177 O GLU A 76 -15.349 5.913 -8.916 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.367 5.879 -9.615 1.00 0.00 C ATOM 1179 CG GLU A 76 -18.433 5.059 -10.892 1.00 0.00 C ATOM 1180 CD GLU A 76 -19.454 5.594 -11.878 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -19.752 6.806 -11.825 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -19.955 4.801 -12.702 1.00 0.00 O ATOM 0 H GLU A 76 -18.468 6.630 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 76 -18.051 4.220 -8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -19.381 6.092 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.896 6.838 -9.833 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.450 5.048 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.680 4.027 -10.644 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.810 3.734 -9.233 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.455 3.417 -9.643 1.00 0.00 C ATOM 1191 C GLY A 77 -13.541 3.145 -8.464 1.00 0.00 C ATOM 1192 O GLY A 77 -12.820 2.148 -8.446 1.00 0.00 O ATOM 0 H GLY A 77 -16.452 2.942 -9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.471 2.544 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.053 4.244 -10.227 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.571 4.035 -7.477 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.739 3.886 -6.290 1.00 0.00 C ATOM 1198 C ILE A 78 -13.490 3.158 -5.180 1.00 0.00 C ATOM 1199 O ILE A 78 -14.567 3.584 -4.761 1.00 0.00 O ATOM 1200 CB ILE A 78 -12.262 5.252 -5.762 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.926 6.185 -6.927 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -11.056 5.077 -4.851 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.824 7.640 -6.526 1.00 0.00 C ATOM 0 H ILE A 78 -14.162 4.866 -7.476 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.871 3.296 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.068 5.702 -5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.981 5.872 -7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.691 6.081 -7.697 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.731 6.051 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.327 4.445 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.244 4.609 -5.408 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -11.583 8.243 -7.402 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.775 7.970 -6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.040 7.757 -5.778 1.00 0.00 H new ATOM 1215 N THR A 79 -12.913 2.059 -4.706 1.00 0.00 N ATOM 1216 CA THR A 79 -13.526 1.271 -3.644 1.00 0.00 C ATOM 1217 C THR A 79 -12.709 1.349 -2.359 1.00 0.00 C ATOM 1218 O THR A 79 -11.673 2.010 -2.310 1.00 0.00 O ATOM 1219 CB THR A 79 -13.676 -0.206 -4.054 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.210 -0.966 -2.964 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.336 -0.789 -4.476 1.00 0.00 C ATOM 0 H THR A 79 -12.021 1.694 -5.041 1.00 0.00 H new ATOM 0 HA THR A 79 -14.515 1.694 -3.469 1.00 0.00 H new ATOM 0 HB THR A 79 -14.360 -0.257 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.114 -0.650 -2.757 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.467 -1.833 -4.761 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.946 -0.227 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.634 -0.725 -3.645 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.183 0.670 -1.319 1.00 0.00 N ATOM 1230 CA GLY A 80 -12.483 0.675 -0.048 1.00 0.00 C ATOM 1231 C GLY A 80 -11.070 0.139 -0.162 1.00 0.00 C ATOM 1232 O GLY A 80 -10.177 0.559 0.575 1.00 0.00 O ATOM 0 H GLY A 80 -14.040 0.116 -1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.452 1.692 0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.039 0.074 0.672 1.00 0.00 H new ATOM 1236 N LYS A 81 -10.865 -0.793 -1.087 1.00 0.00 N ATOM 1237 CA LYS A 81 -9.551 -1.389 -1.295 1.00 0.00 C ATOM 1238 C LYS A 81 -8.609 -0.403 -1.979 1.00 0.00 C ATOM 1239 O LYS A 81 -7.495 -0.169 -1.510 1.00 0.00 O ATOM 1240 CB LYS A 81 -9.673 -2.661 -2.137 1.00 0.00 C ATOM 1241 CG LYS A 81 -9.959 -3.907 -1.317 1.00 0.00 C ATOM 1242 CD LYS A 81 -8.712 -4.405 -0.605 1.00 0.00 C ATOM 1243 CE LYS A 81 -9.056 -5.410 0.484 1.00 0.00 C ATOM 1244 NZ LYS A 81 -7.887 -5.699 1.360 1.00 0.00 N ATOM 0 H LYS A 81 -11.593 -1.152 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.137 -1.644 -0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.469 -2.527 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.748 -2.808 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.736 -3.691 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.345 -4.691 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.039 -4.866 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.180 -3.560 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.877 -5.024 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.405 -6.336 0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.162 -6.388 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.113 -6.091 0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.569 -4.820 1.816 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.064 0.173 -3.087 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.261 1.134 -3.834 1.00 0.00 C ATOM 1260 C GLN A 82 -7.920 2.344 -2.971 1.00 0.00 C ATOM 1261 O GLN A 82 -6.762 2.752 -2.887 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.005 1.583 -5.092 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.212 0.470 -6.107 1.00 0.00 C ATOM 1264 CD GLN A 82 -9.725 0.982 -7.439 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -10.317 2.059 -7.516 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -9.500 0.211 -8.496 1.00 0.00 N ATOM 0 H GLN A 82 -9.984 -0.009 -3.487 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.332 0.645 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.976 1.987 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.449 2.394 -5.563 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.269 -0.055 -6.263 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.918 -0.256 -5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.005 -0.674 -8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.822 0.504 -9.419 1.00 0.00 H new ATOM 1275 N MET A 83 -8.936 2.915 -2.332 1.00 0.00 N ATOM 1276 CA MET A 83 -8.742 4.079 -1.475 1.00 0.00 C ATOM 1277 C MET A 83 -7.821 3.746 -0.306 1.00 0.00 C ATOM 1278 O MET A 83 -7.030 4.582 0.130 1.00 0.00 O ATOM 1279 CB MET A 83 -10.089 4.582 -0.951 1.00 0.00 C ATOM 1280 CG MET A 83 -10.730 3.654 0.068 1.00 0.00 C ATOM 1281 SD MET A 83 -10.039 3.854 1.721 1.00 0.00 S ATOM 1282 CE MET A 83 -10.171 5.628 1.931 1.00 0.00 C ATOM 0 H MET A 83 -9.901 2.591 -2.391 1.00 0.00 H new ATOM 0 HA MET A 83 -8.275 4.864 -2.070 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.950 5.564 -0.499 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.771 4.712 -1.791 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.803 3.843 0.102 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.599 2.621 -0.254 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.163 5.870 2.994 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.328 6.116 1.441 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.102 5.979 1.486 1.00 0.00 H new ATOM 1292 N GLU A 84 -7.930 2.520 0.198 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.107 2.079 1.317 1.00 0.00 C ATOM 1294 C GLU A 84 -5.628 2.085 0.941 1.00 0.00 C ATOM 1295 O GLU A 84 -4.843 2.865 1.479 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.524 0.676 1.764 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.639 0.673 2.797 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.120 0.775 4.217 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -7.534 -0.215 4.706 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -8.298 1.842 4.841 1.00 0.00 O ATOM 0 H GLU A 84 -8.580 1.816 -0.151 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.258 2.776 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.846 0.107 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.656 0.162 2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.313 1.506 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.223 -0.241 2.693 1.00 0.00 H new ATOM 1307 N SER A 85 -5.256 1.210 0.012 1.00 0.00 N ATOM 1308 CA SER A 85 -3.871 1.111 -0.434 1.00 0.00 C ATOM 1309 C SER A 85 -3.334 2.478 -0.845 1.00 0.00 C ATOM 1310 O SER A 85 -2.143 2.758 -0.704 1.00 0.00 O ATOM 1311 CB SER A 85 -3.759 0.133 -1.605 1.00 0.00 C ATOM 1312 OG SER A 85 -3.769 -1.210 -1.151 1.00 0.00 O ATOM 0 H SER A 85 -5.894 0.560 -0.446 1.00 0.00 H new ATOM 0 HA SER A 85 -3.273 0.740 0.398 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.586 0.293 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.840 0.326 -2.158 1.00 0.00 H new ATOM 0 HG SER A 85 -3.698 -1.815 -1.918 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.220 3.326 -1.355 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.837 4.665 -1.789 1.00 0.00 C ATOM 1320 C PHE A 86 -3.405 5.518 -0.600 1.00 0.00 C ATOM 1321 O PHE A 86 -2.361 6.171 -0.636 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.999 5.340 -2.520 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.981 6.838 -2.420 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.829 7.551 -2.709 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -6.116 7.534 -2.037 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.809 8.930 -2.617 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -6.103 8.913 -1.943 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.948 9.612 -2.234 1.00 0.00 C ATOM 0 H PHE A 86 -5.209 3.110 -1.478 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.993 4.571 -2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.972 5.054 -3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.939 4.968 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.936 7.023 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.022 6.992 -1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.904 9.474 -2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.995 9.443 -1.642 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.935 10.690 -2.162 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.215 5.509 0.453 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.918 6.282 1.654 1.00 0.00 C ATOM 1340 C LEU A 87 -2.533 5.940 2.193 1.00 0.00 C ATOM 1341 O LEU A 87 -1.785 6.821 2.616 1.00 0.00 O ATOM 1342 CB LEU A 87 -4.976 6.019 2.727 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.269 6.826 2.607 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.427 6.077 3.250 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -6.103 8.199 3.240 1.00 0.00 C ATOM 0 H LEU A 87 -5.083 4.975 0.499 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.933 7.339 1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.230 4.959 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.534 6.222 3.702 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.493 6.961 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.339 6.666 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.562 5.117 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.211 5.910 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.034 8.759 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.854 8.086 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.302 8.738 2.734 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.197 4.655 2.174 1.00 0.00 N ATOM 1358 CA LYS A 88 -0.901 4.195 2.658 1.00 0.00 C ATOM 1359 C LYS A 88 0.235 4.907 1.931 1.00 0.00 C ATOM 1360 O LYS A 88 1.103 5.513 2.559 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.771 2.682 2.470 1.00 0.00 C ATOM 1362 CG LYS A 88 -1.263 1.877 3.660 1.00 0.00 C ATOM 1363 CD LYS A 88 -0.656 0.484 3.681 1.00 0.00 C ATOM 1364 CE LYS A 88 -0.940 -0.267 2.388 1.00 0.00 C ATOM 1365 NZ LYS A 88 -2.316 -0.835 2.367 1.00 0.00 N ATOM 0 H LYS A 88 -2.805 3.913 1.828 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.834 4.430 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.332 2.385 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.274 2.436 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.010 2.399 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.350 1.801 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.421 0.557 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.058 -0.077 4.525 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.813 0.407 1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.214 -1.071 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.470 -1.339 1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.430 -1.498 3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.010 -0.066 2.456 1.00 0.00 H new ATOM 1379 N ALA A 89 0.222 4.832 0.604 1.00 0.00 N ATOM 1380 CA ALA A 89 1.249 5.473 -0.208 1.00 0.00 C ATOM 1381 C ALA A 89 1.627 6.836 0.361 1.00 0.00 C ATOM 1382 O ALA A 89 2.805 7.133 0.556 1.00 0.00 O ATOM 1383 CB ALA A 89 0.774 5.612 -1.647 1.00 0.00 C ATOM 0 H ALA A 89 -0.489 4.334 0.068 1.00 0.00 H new ATOM 0 HA ALA A 89 2.138 4.842 -0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.551 6.092 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.561 4.625 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.131 6.219 -1.674 1.00 0.00 H new ATOM 1389 N ASN A 90 0.620 7.662 0.624 1.00 0.00 N ATOM 1390 CA ASN A 90 0.847 8.996 1.169 1.00 0.00 C ATOM 1391 C ASN A 90 1.169 8.926 2.659 1.00 0.00 C ATOM 1392 O ASN A 90 2.270 9.277 3.083 1.00 0.00 O ATOM 1393 CB ASN A 90 -0.381 9.879 0.942 1.00 0.00 C ATOM 1394 CG ASN A 90 -0.245 11.239 1.599 1.00 0.00 C ATOM 1395 OD1 ASN A 90 -0.679 11.338 2.850 1.00 0.00 O flip ATOM 1396 ND2 ASN A 90 0.245 12.189 0.988 1.00 0.00 N flip ATOM 0 H ASN A 90 -0.361 7.431 0.469 1.00 0.00 H new ATOM 0 HA ASN A 90 1.700 9.433 0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.538 10.010 -0.129 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.265 9.376 1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.565 12.067 0.027 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.331 13.098 1.442 1.00 0.00 H new ATOM 1403 N ILE A 91 0.201 8.471 3.447 1.00 0.00 N ATOM 1404 CA ILE A 91 0.382 8.354 4.889 1.00 0.00 C ATOM 1405 C ILE A 91 1.760 7.796 5.227 1.00 0.00 C ATOM 1406 O ILE A 91 2.595 8.486 5.813 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.694 7.451 5.520 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -2.061 8.138 5.470 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.321 7.105 6.954 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -3.190 7.275 5.988 1.00 0.00 C ATOM 0 H ILE A 91 -0.716 8.177 3.112 1.00 0.00 H new ATOM 0 HA ILE A 91 0.289 9.359 5.301 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.752 6.526 4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.019 9.057 6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.277 8.425 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.091 6.466 7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.634 6.580 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.238 8.021 7.539 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.128 7.826 5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.259 6.368 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.997 7.009 7.027 1.00 0.00 H new ATOM 1422 N LEU A 92 1.992 6.543 4.852 1.00 0.00 N ATOM 1423 CA LEU A 92 3.271 5.891 5.113 1.00 0.00 C ATOM 1424 C LEU A 92 4.411 6.632 4.422 1.00 0.00 C ATOM 1425 O LEU A 92 5.531 6.680 4.929 1.00 0.00 O ATOM 1426 CB LEU A 92 3.231 4.437 4.638 1.00 0.00 C ATOM 1427 CG LEU A 92 2.354 3.488 5.455 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.381 2.089 4.859 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.807 3.460 6.908 1.00 0.00 C ATOM 0 H LEU A 92 1.312 5.958 4.366 1.00 0.00 H new ATOM 0 HA LEU A 92 3.448 5.911 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.883 4.423 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.249 4.048 4.637 1.00 0.00 H new ATOM 0 HG LEU A 92 1.328 3.854 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.751 1.428 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.007 2.122 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.404 1.713 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.171 2.779 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.841 3.119 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.734 4.462 7.331 1.00 0.00 H new ATOM 1441 N GLY A 93 4.117 7.210 3.261 1.00 0.00 N ATOM 1442 CA GLY A 93 5.127 7.943 2.521 1.00 0.00 C ATOM 1443 C GLY A 93 5.611 9.174 3.262 1.00 0.00 C ATOM 1444 O GLY A 93 6.775 9.560 3.147 1.00 0.00 O ATOM 0 H GLY A 93 3.198 7.183 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.974 7.287 2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.720 8.241 1.555 1.00 0.00 H new ATOM 1448 N LEU A 94 4.716 9.793 4.025 1.00 0.00 N ATOM 1449 CA LEU A 94 5.058 10.989 4.787 1.00 0.00 C ATOM 1450 C LEU A 94 6.294 10.751 5.648 1.00 0.00 C ATOM 1451 O LEU A 94 7.190 11.593 5.711 1.00 0.00 O ATOM 1452 CB LEU A 94 3.881 11.408 5.670 1.00 0.00 C ATOM 1453 CG LEU A 94 2.792 12.237 4.988 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.442 11.986 5.642 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.142 13.717 5.033 1.00 0.00 C ATOM 0 H LEU A 94 3.749 9.487 4.132 1.00 0.00 H new ATOM 0 HA LEU A 94 5.278 11.789 4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.422 10.508 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.270 11.979 6.513 1.00 0.00 H new ATOM 0 HG LEU A 94 2.729 11.931 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.679 12.584 5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.187 10.930 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.490 12.264 6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.356 14.292 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.233 14.038 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.088 13.883 4.517 1.00 0.00 H new