USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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=-0.36) USER MOD Single : A 18 ASN : amide:sc= 0.866 K(o=0.87,f=-0.056) USER MOD Single : A 23 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.24) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0528 F(o=-1.5!,f=-0.053) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.159 K(o=-0.16,f=-4.8!) USER MOD Single : A 44 THR OG1 : rot 26:sc= 1.21 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0699 USER MOD Single : A 49 SER OG : rot 90:sc= 1.21 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0468 X(o=-0.047,f=-0.49) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.126 F(o=-0.9,f=-0.13) USER MOD Single : A 69 MET CE :methyl -115:sc= -0.744 (180deg=-2.5!) USER MOD Single : B 81 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.87) USER MOD Single : B 84 MET CE :methyl 158:sc= -0.245 (180deg=-0.725) USER MOD Single : B 85 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.28) USER MOD Single : B 86 HIS : no HD1:sc= -1.31! C(o=-1.3!,f=-5.3!) USER MOD Single : B 90 HIS :FLIP no HD1:sc= -4.58! C(o=-5.9!,f=-4.6!) USER MOD Single : B 93 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 12 -0.038 11.312 -3.393 1.00 0.00 N ATOM 169 CA VAL A 12 -0.256 10.513 -2.193 1.00 0.00 C ATOM 170 C VAL A 12 1.009 10.431 -1.331 1.00 0.00 C ATOM 171 O VAL A 12 1.233 11.276 -0.471 1.00 0.00 O ATOM 172 CB VAL A 12 -0.786 9.103 -2.563 1.00 0.00 C ATOM 173 CG1 VAL A 12 -1.026 8.244 -1.326 1.00 0.00 C ATOM 174 CG2 VAL A 12 -2.063 9.224 -3.387 1.00 0.00 C ATOM 0 HA VAL A 12 -1.017 11.011 -1.593 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.021 8.605 -3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.397 7.265 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.091 8.124 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.762 8.728 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.427 8.229 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.821 9.751 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.855 9.779 -4.302 1.00 0.00 H new ATOM 184 N GLY A 13 1.827 9.430 -1.589 1.00 0.00 N ATOM 185 CA GLY A 13 3.103 9.284 -0.936 1.00 0.00 C ATOM 186 C GLY A 13 3.893 8.219 -1.645 1.00 0.00 C ATOM 187 O GLY A 13 4.755 7.569 -1.063 1.00 0.00 O ATOM 0 H GLY A 13 1.619 8.693 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.645 10.229 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.962 9.015 0.111 1.00 0.00 H new ATOM 191 N TRP A 14 3.576 8.053 -2.925 1.00 0.00 N ATOM 192 CA TRP A 14 4.080 6.940 -3.708 1.00 0.00 C ATOM 193 C TRP A 14 4.949 7.419 -4.862 1.00 0.00 C ATOM 194 O TRP A 14 4.589 8.346 -5.590 1.00 0.00 O ATOM 195 CB TRP A 14 2.899 6.121 -4.240 1.00 0.00 C ATOM 196 CG TRP A 14 3.288 4.973 -5.122 1.00 0.00 C ATOM 197 CD1 TRP A 14 3.859 3.800 -4.730 1.00 0.00 C ATOM 198 CD2 TRP A 14 3.119 4.881 -6.543 1.00 0.00 C ATOM 199 NE1 TRP A 14 4.060 2.985 -5.817 1.00 0.00 N ATOM 200 CE2 TRP A 14 3.610 3.623 -6.940 1.00 0.00 C ATOM 201 CE3 TRP A 14 2.600 5.738 -7.521 1.00 0.00 C ATOM 202 CZ2 TRP A 14 3.595 3.201 -8.266 1.00 0.00 C ATOM 203 CZ3 TRP A 14 2.586 5.314 -8.838 1.00 0.00 C ATOM 204 CH2 TRP A 14 3.078 4.054 -9.200 1.00 0.00 C ATOM 0 H TRP A 14 2.965 8.685 -3.443 1.00 0.00 H new ATOM 0 HA TRP A 14 4.702 6.318 -3.065 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.329 5.736 -3.394 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.236 6.783 -4.797 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.116 3.548 -3.712 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.477 2.055 -5.791 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.218 6.712 -7.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.979 2.232 -8.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.188 5.967 -9.601 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.048 3.751 -10.236 1.00 0.00 H new ATOM 215 N ASP A 15 6.103 6.792 -4.999 1.00 0.00 N ATOM 216 CA ASP A 15 6.963 6.990 -6.150 1.00 0.00 C ATOM 217 C ASP A 15 6.981 5.707 -6.968 1.00 0.00 C ATOM 218 O ASP A 15 7.132 4.616 -6.425 1.00 0.00 O ATOM 219 CB ASP A 15 8.384 7.354 -5.705 1.00 0.00 C ATOM 220 CG ASP A 15 9.348 7.472 -6.870 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.903 6.439 -7.295 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.562 8.600 -7.360 1.00 0.00 O ATOM 0 H ASP A 15 6.470 6.131 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 15 6.580 7.812 -6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.360 8.298 -5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.749 6.596 -5.012 1.00 0.00 H new ATOM 227 N PRO A 16 6.806 5.832 -8.292 1.00 0.00 N ATOM 228 CA PRO A 16 6.664 4.690 -9.202 1.00 0.00 C ATOM 229 C PRO A 16 7.801 3.674 -9.107 1.00 0.00 C ATOM 230 O PRO A 16 7.593 2.485 -9.350 1.00 0.00 O ATOM 231 CB PRO A 16 6.642 5.331 -10.599 1.00 0.00 C ATOM 232 CG PRO A 16 7.137 6.724 -10.403 1.00 0.00 C ATOM 233 CD PRO A 16 6.723 7.107 -9.016 1.00 0.00 C ATOM 0 HA PRO A 16 5.770 4.116 -8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.278 4.782 -11.293 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.636 5.327 -11.017 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.220 6.775 -10.517 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.707 7.400 -11.141 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.386 7.859 -8.589 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.715 7.521 -8.994 1.00 0.00 H new ATOM 241 N GLN A 17 9.001 4.139 -8.788 1.00 0.00 N ATOM 242 CA GLN A 17 10.164 3.261 -8.732 1.00 0.00 C ATOM 243 C GLN A 17 10.593 2.970 -7.294 1.00 0.00 C ATOM 244 O GLN A 17 11.066 1.873 -6.987 1.00 0.00 O ATOM 245 CB GLN A 17 11.313 3.877 -9.523 1.00 0.00 C ATOM 246 CG GLN A 17 10.964 4.122 -10.985 1.00 0.00 C ATOM 247 CD GLN A 17 12.065 4.820 -11.755 1.00 0.00 C ATOM 248 OE1 GLN A 17 13.249 4.659 -11.458 1.00 0.00 O ATOM 249 NE2 GLN A 17 11.680 5.597 -12.755 1.00 0.00 N ATOM 0 H GLN A 17 9.195 5.115 -8.565 1.00 0.00 H new ATOM 0 HA GLN A 17 9.887 2.307 -9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.600 4.821 -9.060 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.180 3.218 -9.467 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.744 3.168 -11.464 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.056 4.722 -11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.688 5.702 -12.966 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.376 6.091 -13.314 1.00 0.00 H new ATOM 258 N ASN A 18 10.432 3.954 -6.417 1.00 0.00 N ATOM 259 CA ASN A 18 10.924 3.848 -5.041 1.00 0.00 C ATOM 260 C ASN A 18 9.845 3.362 -4.079 1.00 0.00 C ATOM 261 O ASN A 18 10.132 3.064 -2.916 1.00 0.00 O ATOM 262 CB ASN A 18 11.466 5.200 -4.567 1.00 0.00 C ATOM 263 CG ASN A 18 12.701 5.641 -5.333 1.00 0.00 C ATOM 264 OD1 ASN A 18 13.832 5.385 -4.916 1.00 0.00 O ATOM 265 ND2 ASN A 18 12.495 6.302 -6.463 1.00 0.00 N ATOM 0 H ASN A 18 9.965 4.836 -6.630 1.00 0.00 H new ATOM 0 HA ASN A 18 11.725 3.109 -5.042 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.688 5.956 -4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.705 5.138 -3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.288 6.618 -7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.543 6.495 -6.775 1.00 0.00 H new ATOM 272 N GLY A 19 8.611 3.298 -4.556 1.00 0.00 N ATOM 273 CA GLY A 19 7.518 2.819 -3.736 1.00 0.00 C ATOM 274 C GLY A 19 6.927 3.910 -2.869 1.00 0.00 C ATOM 275 O GLY A 19 7.144 5.098 -3.118 1.00 0.00 O ATOM 0 H GLY A 19 8.346 3.571 -5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.739 2.407 -4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.872 2.006 -3.102 1.00 0.00 H new ATOM 279 N PHE A 20 6.176 3.506 -1.857 1.00 0.00 N ATOM 280 CA PHE A 20 5.614 4.438 -0.889 1.00 0.00 C ATOM 281 C PHE A 20 6.712 4.948 0.033 1.00 0.00 C ATOM 282 O PHE A 20 7.622 4.207 0.403 1.00 0.00 O ATOM 283 CB PHE A 20 4.530 3.768 -0.031 1.00 0.00 C ATOM 284 CG PHE A 20 3.215 3.543 -0.726 1.00 0.00 C ATOM 285 CD1 PHE A 20 2.238 4.530 -0.731 1.00 0.00 C ATOM 286 CD2 PHE A 20 2.948 2.339 -1.359 1.00 0.00 C ATOM 287 CE1 PHE A 20 1.028 4.320 -1.359 1.00 0.00 C ATOM 288 CE2 PHE A 20 1.737 2.125 -1.988 1.00 0.00 C ATOM 289 CZ PHE A 20 0.775 3.120 -1.988 1.00 0.00 C ATOM 0 H PHE A 20 5.939 2.529 -1.683 1.00 0.00 H new ATOM 0 HA PHE A 20 5.167 5.262 -1.445 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.908 2.807 0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.356 4.383 0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.428 5.472 -0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.695 1.559 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.278 5.097 -1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.541 1.183 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.172 2.956 -2.480 1.00 0.00 H new ATOM 299 N ASP A 21 6.636 6.211 0.396 1.00 0.00 N ATOM 300 CA ASP A 21 7.560 6.759 1.368 1.00 0.00 C ATOM 301 C ASP A 21 7.047 6.454 2.766 1.00 0.00 C ATOM 302 O ASP A 21 6.001 6.952 3.172 1.00 0.00 O ATOM 303 CB ASP A 21 7.732 8.262 1.182 1.00 0.00 C ATOM 304 CG ASP A 21 8.840 8.805 2.054 1.00 0.00 C ATOM 305 OD1 ASP A 21 8.619 8.970 3.263 1.00 0.00 O ATOM 306 OD2 ASP A 21 9.949 9.054 1.527 1.00 0.00 O ATOM 0 H ASP A 21 5.949 6.874 0.036 1.00 0.00 H new ATOM 0 HA ASP A 21 8.537 6.298 1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.952 8.477 0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.797 8.769 1.422 1.00 0.00 H new ATOM 311 N VAL A 22 7.788 5.636 3.494 1.00 0.00 N ATOM 312 CA VAL A 22 7.310 5.086 4.758 1.00 0.00 C ATOM 313 C VAL A 22 7.240 6.119 5.885 1.00 0.00 C ATOM 314 O VAL A 22 6.495 5.931 6.849 1.00 0.00 O ATOM 315 CB VAL A 22 8.163 3.882 5.197 1.00 0.00 C ATOM 316 CG1 VAL A 22 7.975 2.726 4.230 1.00 0.00 C ATOM 317 CG2 VAL A 22 9.633 4.259 5.297 1.00 0.00 C ATOM 0 H VAL A 22 8.727 5.335 3.233 1.00 0.00 H new ATOM 0 HA VAL A 22 6.289 4.756 4.568 1.00 0.00 H new ATOM 0 HB VAL A 22 7.829 3.571 6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.583 1.880 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.925 2.432 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.281 3.034 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.211 3.389 5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.988 4.601 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.755 5.057 6.029 1.00 0.00 H new ATOM 327 N ASN A 23 7.985 7.208 5.772 1.00 0.00 N ATOM 328 CA ASN A 23 7.929 8.248 6.795 1.00 0.00 C ATOM 329 C ASN A 23 6.964 9.354 6.379 1.00 0.00 C ATOM 330 O ASN A 23 6.552 10.170 7.200 1.00 0.00 O ATOM 331 CB ASN A 23 9.316 8.825 7.102 1.00 0.00 C ATOM 332 CG ASN A 23 10.034 9.327 5.872 1.00 0.00 C ATOM 333 OD1 ASN A 23 10.783 8.587 5.231 1.00 0.00 O ATOM 334 ND2 ASN A 23 9.823 10.589 5.540 1.00 0.00 N ATOM 0 H ASN A 23 8.624 7.396 5.000 1.00 0.00 H new ATOM 0 HA ASN A 23 7.561 7.787 7.712 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.213 9.643 7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.924 8.058 7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.289 10.986 4.724 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.194 11.165 6.100 1.00 0.00 H new ATOM 341 N ASN A 24 6.611 9.379 5.101 1.00 0.00 N ATOM 342 CA ASN A 24 5.582 10.289 4.608 1.00 0.00 C ATOM 343 C ASN A 24 4.268 9.540 4.405 1.00 0.00 C ATOM 344 O ASN A 24 3.347 10.042 3.763 1.00 0.00 O ATOM 345 CB ASN A 24 6.014 10.952 3.292 1.00 0.00 C ATOM 346 CG ASN A 24 7.072 12.027 3.482 1.00 0.00 C ATOM 347 OD1 ASN A 24 7.019 12.734 4.603 1.00 0.00 O flip ATOM 348 ND2 ASN A 24 7.925 12.237 2.615 1.00 0.00 N flip ATOM 0 H ASN A 24 7.022 8.780 4.385 1.00 0.00 H new ATOM 0 HA ASN A 24 5.439 11.070 5.354 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.399 10.188 2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.141 11.392 2.811 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.937 11.674 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.618 12.973 2.749 1.00 0.00 H new ATOM 355 N LEU A 25 4.194 8.334 4.961 1.00 0.00 N ATOM 356 CA LEU A 25 2.994 7.511 4.871 1.00 0.00 C ATOM 357 C LEU A 25 1.835 8.147 5.619 1.00 0.00 C ATOM 358 O LEU A 25 2.025 8.819 6.634 1.00 0.00 O ATOM 359 CB LEU A 25 3.252 6.112 5.441 1.00 0.00 C ATOM 360 CG LEU A 25 3.892 5.108 4.485 1.00 0.00 C ATOM 361 CD1 LEU A 25 4.165 3.798 5.204 1.00 0.00 C ATOM 362 CD2 LEU A 25 2.998 4.865 3.284 1.00 0.00 C ATOM 0 H LEU A 25 4.958 7.903 5.482 1.00 0.00 H new ATOM 0 HA LEU A 25 2.734 7.431 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.894 6.211 6.316 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.303 5.701 5.786 1.00 0.00 H new ATOM 0 HG LEU A 25 4.837 5.524 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.621 3.091 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.842 3.976 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.228 3.386 5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.473 4.147 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.039 4.470 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.839 5.804 2.753 1.00 0.00 H new ATOM 374 N ASP A 26 0.637 7.927 5.109 1.00 0.00 N ATOM 375 CA ASP A 26 -0.569 8.436 5.737 1.00 0.00 C ATOM 376 C ASP A 26 -1.032 7.497 6.844 1.00 0.00 C ATOM 377 O ASP A 26 -1.015 6.281 6.656 1.00 0.00 O ATOM 378 CB ASP A 26 -1.676 8.595 4.697 1.00 0.00 C ATOM 379 CG ASP A 26 -2.978 9.050 5.314 1.00 0.00 C ATOM 380 OD1 ASP A 26 -3.159 10.272 5.520 1.00 0.00 O ATOM 381 OD2 ASP A 26 -3.827 8.188 5.600 1.00 0.00 O ATOM 0 H ASP A 26 0.473 7.395 4.255 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.346 9.409 6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.362 9.316 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.831 7.645 4.185 1.00 0.00 H new ATOM 386 N PRO A 27 -1.415 8.040 8.013 1.00 0.00 N ATOM 387 CA PRO A 27 -1.825 7.243 9.178 1.00 0.00 C ATOM 388 C PRO A 27 -2.731 6.062 8.826 1.00 0.00 C ATOM 389 O PRO A 27 -2.430 4.915 9.179 1.00 0.00 O ATOM 390 CB PRO A 27 -2.581 8.259 10.030 1.00 0.00 C ATOM 391 CG PRO A 27 -1.910 9.554 9.739 1.00 0.00 C ATOM 392 CD PRO A 27 -1.469 9.488 8.299 1.00 0.00 C ATOM 0 HA PRO A 27 -0.969 6.782 9.670 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.638 8.291 9.767 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.524 8.011 11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.591 10.390 9.899 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.057 9.707 10.400 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.172 10.000 7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.497 9.960 8.156 1.00 0.00 H new ATOM 400 N ASP A 28 -3.815 6.337 8.106 1.00 0.00 N ATOM 401 CA ASP A 28 -4.787 5.301 7.772 1.00 0.00 C ATOM 402 C ASP A 28 -4.210 4.310 6.776 1.00 0.00 C ATOM 403 O ASP A 28 -4.440 3.107 6.899 1.00 0.00 O ATOM 404 CB ASP A 28 -6.080 5.909 7.230 1.00 0.00 C ATOM 405 CG ASP A 28 -6.931 6.527 8.321 1.00 0.00 C ATOM 406 OD1 ASP A 28 -7.534 5.776 9.114 1.00 0.00 O ATOM 407 OD2 ASP A 28 -7.004 7.774 8.393 1.00 0.00 O ATOM 0 H ASP A 28 -4.042 7.263 7.744 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.022 4.765 8.692 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.837 6.670 6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.655 5.137 6.719 1.00 0.00 H new ATOM 412 N LEU A 29 -3.457 4.805 5.792 1.00 0.00 N ATOM 413 CA LEU A 29 -2.762 3.924 4.862 1.00 0.00 C ATOM 414 C LEU A 29 -1.840 2.990 5.625 1.00 0.00 C ATOM 415 O LEU A 29 -1.834 1.782 5.402 1.00 0.00 O ATOM 416 CB LEU A 29 -1.933 4.725 3.863 1.00 0.00 C ATOM 417 CG LEU A 29 -2.719 5.578 2.878 1.00 0.00 C ATOM 418 CD1 LEU A 29 -1.752 6.346 1.995 1.00 0.00 C ATOM 419 CD2 LEU A 29 -3.653 4.715 2.041 1.00 0.00 C ATOM 0 H LEU A 29 -3.316 5.801 5.622 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.514 3.350 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.259 5.376 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.312 4.031 3.297 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.335 6.287 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.312 6.958 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.126 6.988 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.123 5.644 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.205 5.346 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.069 3.982 1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.355 4.198 2.695 1.00 0.00 H new ATOM 431 N ARG A 30 -1.079 3.570 6.540 1.00 0.00 N ATOM 432 CA ARG A 30 -0.112 2.831 7.336 1.00 0.00 C ATOM 433 C ARG A 30 -0.810 1.724 8.127 1.00 0.00 C ATOM 434 O ARG A 30 -0.331 0.592 8.169 1.00 0.00 O ATOM 435 CB ARG A 30 0.629 3.804 8.263 1.00 0.00 C ATOM 436 CG ARG A 30 1.912 3.256 8.871 1.00 0.00 C ATOM 437 CD ARG A 30 1.642 2.366 10.069 1.00 0.00 C ATOM 438 NE ARG A 30 2.873 1.834 10.636 1.00 0.00 N ATOM 439 CZ ARG A 30 3.031 1.533 11.919 1.00 0.00 C ATOM 440 NH1 ARG A 30 2.061 1.786 12.789 1.00 0.00 N ATOM 441 NH2 ARG A 30 4.179 1.013 12.330 1.00 0.00 N ATOM 0 H ARG A 30 -1.115 4.567 6.752 1.00 0.00 H new ATOM 0 HA ARG A 30 0.617 2.354 6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.867 4.708 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.042 4.097 9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.458 2.690 8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.552 4.085 9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.107 2.934 10.830 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.993 1.542 9.771 1.00 0.00 H new ATOM 0 HE ARG A 30 3.663 1.683 10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.191 2.213 12.472 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.186 1.553 13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.932 0.847 11.662 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.309 0.779 13.314 1.00 0.00 H new ATOM 455 N SER A 31 -1.947 2.059 8.733 1.00 0.00 N ATOM 456 CA SER A 31 -2.753 1.083 9.461 1.00 0.00 C ATOM 457 C SER A 31 -3.172 -0.052 8.528 1.00 0.00 C ATOM 458 O SER A 31 -3.001 -1.233 8.834 1.00 0.00 O ATOM 459 CB SER A 31 -4.014 1.753 10.025 1.00 0.00 C ATOM 460 OG SER A 31 -4.637 0.940 11.007 1.00 0.00 O ATOM 0 H SER A 31 -2.332 3.004 8.734 1.00 0.00 H new ATOM 0 HA SER A 31 -2.153 0.684 10.279 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.752 2.717 10.461 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.716 1.950 9.215 1.00 0.00 H new ATOM 0 HG SER A 31 -5.436 1.394 11.349 1.00 0.00 H new ATOM 466 N LEU A 32 -3.701 0.343 7.381 1.00 0.00 N ATOM 467 CA LEU A 32 -4.258 -0.575 6.406 1.00 0.00 C ATOM 468 C LEU A 32 -3.203 -1.544 5.885 1.00 0.00 C ATOM 469 O LEU A 32 -3.363 -2.763 5.965 1.00 0.00 O ATOM 470 CB LEU A 32 -4.850 0.244 5.260 1.00 0.00 C ATOM 471 CG LEU A 32 -5.773 -0.509 4.311 1.00 0.00 C ATOM 472 CD1 LEU A 32 -5.052 -0.881 3.030 1.00 0.00 C ATOM 473 CD2 LEU A 32 -6.344 -1.746 4.986 1.00 0.00 C ATOM 0 H LEU A 32 -3.755 1.322 7.100 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.034 -1.176 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.403 1.081 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.030 0.666 4.679 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.600 0.152 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.735 -1.418 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.704 0.024 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.199 -1.517 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.001 -2.269 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.530 -2.407 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.912 -1.450 5.868 1.00 0.00 H new ATOM 485 N PHE A 33 -2.132 -0.988 5.348 1.00 0.00 N ATOM 486 CA PHE A 33 -1.031 -1.785 4.809 1.00 0.00 C ATOM 487 C PHE A 33 -0.492 -2.746 5.864 1.00 0.00 C ATOM 488 O PHE A 33 -0.183 -3.903 5.573 1.00 0.00 O ATOM 489 CB PHE A 33 0.103 -0.884 4.314 1.00 0.00 C ATOM 490 CG PHE A 33 -0.324 0.144 3.301 1.00 0.00 C ATOM 491 CD1 PHE A 33 -1.440 -0.078 2.507 1.00 0.00 C ATOM 492 CD2 PHE A 33 0.382 1.331 3.141 1.00 0.00 C ATOM 493 CE1 PHE A 33 -1.845 0.856 1.577 1.00 0.00 C ATOM 494 CE2 PHE A 33 -0.022 2.267 2.212 1.00 0.00 C ATOM 495 CZ PHE A 33 -1.085 2.052 1.431 1.00 0.00 C ATOM 0 H PHE A 33 -1.996 0.020 5.271 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.420 -2.360 3.969 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.546 -0.373 5.169 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.883 -1.507 3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.999 -0.995 2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.254 1.522 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.722 0.684 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.530 3.190 2.114 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.368 2.785 0.690 1.00 0.00 H new ATOM 505 N SER A 34 -0.409 -2.255 7.094 1.00 0.00 N ATOM 506 CA SER A 34 0.076 -3.043 8.216 1.00 0.00 C ATOM 507 C SER A 34 -0.827 -4.249 8.468 1.00 0.00 C ATOM 508 O SER A 34 -0.348 -5.326 8.832 1.00 0.00 O ATOM 509 CB SER A 34 0.159 -2.161 9.460 1.00 0.00 C ATOM 510 OG SER A 34 0.549 -2.899 10.609 1.00 0.00 O ATOM 0 H SER A 34 -0.676 -1.302 7.340 1.00 0.00 H new ATOM 0 HA SER A 34 1.071 -3.420 7.978 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.873 -1.356 9.287 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.810 -1.695 9.640 1.00 0.00 H new ATOM 0 HG SER A 34 0.592 -2.300 11.383 1.00 0.00 H new ATOM 516 N ARG A 35 -2.131 -4.064 8.263 1.00 0.00 N ATOM 517 CA ARG A 35 -3.093 -5.145 8.432 1.00 0.00 C ATOM 518 C ARG A 35 -2.926 -6.185 7.339 1.00 0.00 C ATOM 519 O ARG A 35 -3.003 -7.385 7.590 1.00 0.00 O ATOM 520 CB ARG A 35 -4.520 -4.617 8.390 1.00 0.00 C ATOM 521 CG ARG A 35 -4.858 -3.711 9.543 1.00 0.00 C ATOM 522 CD ARG A 35 -6.238 -3.107 9.378 1.00 0.00 C ATOM 523 NE ARG A 35 -6.593 -2.219 10.482 1.00 0.00 N ATOM 524 CZ ARG A 35 -7.671 -1.439 10.483 1.00 0.00 C ATOM 525 NH1 ARG A 35 -8.488 -1.428 9.438 1.00 0.00 N ATOM 526 NH2 ARG A 35 -7.931 -0.672 11.533 1.00 0.00 N ATOM 0 H ARG A 35 -2.542 -3.175 7.980 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.905 -5.600 9.405 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.672 -4.076 7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.211 -5.460 8.386 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.813 -4.273 10.476 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.116 -2.916 9.614 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.279 -2.552 8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.975 -3.907 9.307 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.981 -2.196 11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.291 -2.019 8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.313 -0.829 9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.305 -0.681 12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.757 -0.073 11.535 1.00 0.00 H new ATOM 540 N ALA A 36 -2.698 -5.702 6.124 1.00 0.00 N ATOM 541 CA ALA A 36 -2.577 -6.567 4.959 1.00 0.00 C ATOM 542 C ALA A 36 -1.359 -7.483 5.073 1.00 0.00 C ATOM 543 O ALA A 36 -1.347 -8.593 4.538 1.00 0.00 O ATOM 544 CB ALA A 36 -2.480 -5.735 3.685 1.00 0.00 C ATOM 0 H ALA A 36 -2.593 -4.708 5.920 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.471 -7.189 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.390 -6.397 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.376 -5.124 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.604 -5.088 3.738 1.00 0.00 H new ATOM 550 N GLY A 37 -0.337 -7.008 5.766 1.00 0.00 N ATOM 551 CA GLY A 37 0.891 -7.767 5.897 1.00 0.00 C ATOM 552 C GLY A 37 2.045 -7.072 5.213 1.00 0.00 C ATOM 553 O GLY A 37 3.206 -7.438 5.404 1.00 0.00 O ATOM 0 H GLY A 37 -0.335 -6.106 6.243 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.123 -7.907 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.755 -8.759 5.466 1.00 0.00 H new ATOM 557 N ILE A 38 1.713 -6.065 4.411 1.00 0.00 N ATOM 558 CA ILE A 38 2.703 -5.277 3.699 1.00 0.00 C ATOM 559 C ILE A 38 3.607 -4.549 4.683 1.00 0.00 C ATOM 560 O ILE A 38 3.206 -3.565 5.309 1.00 0.00 O ATOM 561 CB ILE A 38 2.022 -4.252 2.775 1.00 0.00 C ATOM 562 CG1 ILE A 38 0.984 -4.950 1.897 1.00 0.00 C ATOM 563 CG2 ILE A 38 3.057 -3.547 1.910 1.00 0.00 C ATOM 564 CD1 ILE A 38 0.072 -3.996 1.176 1.00 0.00 C ATOM 0 H ILE A 38 0.750 -5.776 4.239 1.00 0.00 H new ATOM 0 HA ILE A 38 3.302 -5.957 3.093 1.00 0.00 H new ATOM 0 HB ILE A 38 1.520 -3.505 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.498 -5.573 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.384 -5.616 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.559 -2.825 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.772 -3.029 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.582 -4.281 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.639 -4.559 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.469 -3.390 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.662 -3.346 0.530 1.00 0.00 H new ATOM 576 N SER A 39 4.820 -5.046 4.819 1.00 0.00 N ATOM 577 CA SER A 39 5.766 -4.493 5.765 1.00 0.00 C ATOM 578 C SER A 39 6.453 -3.249 5.204 1.00 0.00 C ATOM 579 O SER A 39 6.317 -2.944 4.016 1.00 0.00 O ATOM 580 CB SER A 39 6.789 -5.559 6.136 1.00 0.00 C ATOM 581 OG SER A 39 6.148 -6.695 6.698 1.00 0.00 O ATOM 0 H SER A 39 5.175 -5.837 4.282 1.00 0.00 H new ATOM 0 HA SER A 39 5.227 -4.185 6.661 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.352 -5.854 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.506 -5.150 6.848 1.00 0.00 H new ATOM 0 HG SER A 39 6.821 -7.370 6.928 1.00 0.00 H new ATOM 587 N GLU A 40 7.174 -2.535 6.060 1.00 0.00 N ATOM 588 CA GLU A 40 7.859 -1.302 5.673 1.00 0.00 C ATOM 589 C GLU A 40 8.708 -1.501 4.415 1.00 0.00 C ATOM 590 O GLU A 40 8.670 -0.682 3.494 1.00 0.00 O ATOM 591 CB GLU A 40 8.724 -0.824 6.839 1.00 0.00 C ATOM 592 CG GLU A 40 9.487 0.460 6.571 1.00 0.00 C ATOM 593 CD GLU A 40 10.212 0.956 7.801 1.00 0.00 C ATOM 594 OE1 GLU A 40 11.126 0.256 8.278 1.00 0.00 O ATOM 595 OE2 GLU A 40 9.854 2.037 8.310 1.00 0.00 O ATOM 0 H GLU A 40 7.302 -2.791 7.039 1.00 0.00 H new ATOM 0 HA GLU A 40 7.111 -0.545 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.087 -0.678 7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.436 -1.609 7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.206 0.294 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.795 1.227 6.224 1.00 0.00 H new ATOM 602 N ALA A 41 9.456 -2.599 4.377 1.00 0.00 N ATOM 603 CA ALA A 41 10.275 -2.930 3.219 1.00 0.00 C ATOM 604 C ALA A 41 9.426 -3.001 1.952 1.00 0.00 C ATOM 605 O ALA A 41 9.703 -2.326 0.973 1.00 0.00 O ATOM 606 CB ALA A 41 11.000 -4.248 3.451 1.00 0.00 C ATOM 0 H ALA A 41 9.511 -3.276 5.138 1.00 0.00 H new ATOM 0 HA ALA A 41 11.015 -2.141 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.610 -4.486 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.640 -4.161 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.270 -5.041 3.611 1.00 0.00 H new ATOM 612 N GLN A 42 8.379 -3.805 2.002 1.00 0.00 N ATOM 613 CA GLN A 42 7.459 -3.969 0.880 1.00 0.00 C ATOM 614 C GLN A 42 6.917 -2.633 0.385 1.00 0.00 C ATOM 615 O GLN A 42 6.714 -2.447 -0.813 1.00 0.00 O ATOM 616 CB GLN A 42 6.289 -4.860 1.279 1.00 0.00 C ATOM 617 CG GLN A 42 6.660 -6.316 1.465 1.00 0.00 C ATOM 618 CD GLN A 42 5.460 -7.167 1.814 1.00 0.00 C ATOM 619 OE1 GLN A 42 5.135 -7.347 2.985 1.00 0.00 O ATOM 620 NE2 GLN A 42 4.802 -7.707 0.801 1.00 0.00 N ATOM 0 H GLN A 42 8.139 -4.365 2.820 1.00 0.00 H new ATOM 0 HA GLN A 42 8.024 -4.432 0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.859 -4.484 2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.514 -4.788 0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.118 -6.693 0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.407 -6.402 2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.106 -7.531 -0.157 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.990 -8.299 0.978 1.00 0.00 H new ATOM 629 N LEU A 43 6.685 -1.707 1.306 1.00 0.00 N ATOM 630 CA LEU A 43 6.175 -0.391 0.945 1.00 0.00 C ATOM 631 C LEU A 43 7.242 0.445 0.250 1.00 0.00 C ATOM 632 O LEU A 43 6.946 1.490 -0.306 1.00 0.00 O ATOM 633 CB LEU A 43 5.638 0.341 2.174 1.00 0.00 C ATOM 634 CG LEU A 43 4.310 -0.194 2.708 1.00 0.00 C ATOM 635 CD1 LEU A 43 3.898 0.544 3.967 1.00 0.00 C ATOM 636 CD2 LEU A 43 3.230 -0.065 1.646 1.00 0.00 C ATOM 0 H LEU A 43 6.841 -1.842 2.305 1.00 0.00 H new ATOM 0 HA LEU A 43 5.353 -0.537 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.383 0.284 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.516 1.396 1.927 1.00 0.00 H new ATOM 0 HG LEU A 43 4.439 -1.247 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.950 0.146 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.662 0.412 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.785 1.605 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.288 -0.449 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.110 0.984 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.517 -0.637 0.764 1.00 0.00 H new ATOM 648 N THR A 44 8.475 -0.024 0.279 1.00 0.00 N ATOM 649 CA THR A 44 9.549 0.624 -0.451 1.00 0.00 C ATOM 650 C THR A 44 10.036 -0.289 -1.575 1.00 0.00 C ATOM 651 O THR A 44 11.121 -0.104 -2.130 1.00 0.00 O ATOM 652 CB THR A 44 10.717 1.024 0.478 1.00 0.00 C ATOM 653 OG1 THR A 44 11.003 -0.026 1.412 1.00 0.00 O ATOM 654 CG2 THR A 44 10.384 2.301 1.237 1.00 0.00 C ATOM 0 H THR A 44 8.759 -0.853 0.801 1.00 0.00 H new ATOM 0 HA THR A 44 9.157 1.545 -0.883 1.00 0.00 H new ATOM 0 HB THR A 44 11.596 1.197 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.728 -0.886 1.032 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.218 2.567 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.204 3.109 0.528 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.491 2.143 1.841 1.00 0.00 H new ATOM 662 N ASP A 45 9.217 -1.289 -1.895 1.00 0.00 N ATOM 663 CA ASP A 45 9.477 -2.172 -3.025 1.00 0.00 C ATOM 664 C ASP A 45 8.684 -1.714 -4.243 1.00 0.00 C ATOM 665 O ASP A 45 7.576 -1.192 -4.098 1.00 0.00 O ATOM 666 CB ASP A 45 9.135 -3.630 -2.692 1.00 0.00 C ATOM 667 CG ASP A 45 10.287 -4.376 -2.040 1.00 0.00 C ATOM 668 OD1 ASP A 45 11.277 -4.667 -2.745 1.00 0.00 O ATOM 669 OD2 ASP A 45 10.206 -4.681 -0.831 1.00 0.00 O ATOM 0 H ASP A 45 8.363 -1.507 -1.382 1.00 0.00 H new ATOM 0 HA ASP A 45 10.543 -2.121 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.272 -3.652 -2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.846 -4.148 -3.607 1.00 0.00 H new ATOM 674 N ALA A 46 9.236 -1.908 -5.431 1.00 0.00 N ATOM 675 CA ALA A 46 8.648 -1.352 -6.649 1.00 0.00 C ATOM 676 C ALA A 46 7.275 -1.946 -6.961 1.00 0.00 C ATOM 677 O ALA A 46 6.250 -1.259 -6.860 1.00 0.00 O ATOM 678 CB ALA A 46 9.580 -1.567 -7.825 1.00 0.00 C ATOM 0 H ALA A 46 10.090 -2.445 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 46 8.509 -0.285 -6.477 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.131 -1.149 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.532 -1.072 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.748 -2.635 -7.965 1.00 0.00 H new ATOM 684 N GLU A 47 7.260 -3.226 -7.323 1.00 0.00 N ATOM 685 CA GLU A 47 6.041 -3.882 -7.790 1.00 0.00 C ATOM 686 C GLU A 47 4.994 -3.940 -6.689 1.00 0.00 C ATOM 687 O GLU A 47 3.806 -3.735 -6.948 1.00 0.00 O ATOM 688 CB GLU A 47 6.327 -5.291 -8.338 1.00 0.00 C ATOM 689 CG GLU A 47 7.155 -6.182 -7.424 1.00 0.00 C ATOM 690 CD GLU A 47 8.621 -5.811 -7.432 1.00 0.00 C ATOM 691 OE1 GLU A 47 9.326 -6.193 -8.383 1.00 0.00 O ATOM 692 OE2 GLU A 47 9.084 -5.174 -6.460 1.00 0.00 O ATOM 0 H GLU A 47 8.081 -3.832 -7.302 1.00 0.00 H new ATOM 0 HA GLU A 47 5.646 -3.281 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.377 -5.786 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.844 -5.195 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.771 -6.111 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.044 -7.221 -7.735 1.00 0.00 H new ATOM 699 N THR A 48 5.435 -4.208 -5.467 1.00 0.00 N ATOM 700 CA THR A 48 4.543 -4.222 -4.321 1.00 0.00 C ATOM 701 C THR A 48 3.756 -2.917 -4.219 1.00 0.00 C ATOM 702 O THR A 48 2.526 -2.922 -4.258 1.00 0.00 O ATOM 703 CB THR A 48 5.328 -4.436 -3.015 1.00 0.00 C ATOM 704 OG1 THR A 48 6.346 -5.427 -3.216 1.00 0.00 O ATOM 705 CG2 THR A 48 4.391 -4.880 -1.900 1.00 0.00 C ATOM 0 H THR A 48 6.408 -4.419 -5.246 1.00 0.00 H new ATOM 0 HA THR A 48 3.848 -5.049 -4.465 1.00 0.00 H new ATOM 0 HB THR A 48 5.793 -3.493 -2.728 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.844 -5.558 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.961 -5.027 -0.983 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.632 -4.115 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.908 -5.816 -2.181 1.00 0.00 H new ATOM 713 N SER A 49 4.473 -1.805 -4.123 1.00 0.00 N ATOM 714 CA SER A 49 3.846 -0.504 -3.936 1.00 0.00 C ATOM 715 C SER A 49 2.968 -0.124 -5.125 1.00 0.00 C ATOM 716 O SER A 49 1.911 0.486 -4.951 1.00 0.00 O ATOM 717 CB SER A 49 4.917 0.559 -3.719 1.00 0.00 C ATOM 718 OG SER A 49 5.755 0.214 -2.635 1.00 0.00 O ATOM 0 H SER A 49 5.491 -1.778 -4.172 1.00 0.00 H new ATOM 0 HA SER A 49 3.205 -0.565 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.514 0.670 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.445 1.523 -3.527 1.00 0.00 H new ATOM 0 HG SER A 49 6.508 -0.321 -2.961 1.00 0.00 H new ATOM 724 N LYS A 50 3.400 -0.490 -6.326 1.00 0.00 N ATOM 725 CA LYS A 50 2.647 -0.170 -7.532 1.00 0.00 C ATOM 726 C LYS A 50 1.271 -0.828 -7.486 1.00 0.00 C ATOM 727 O LYS A 50 0.260 -0.203 -7.812 1.00 0.00 O ATOM 728 CB LYS A 50 3.406 -0.626 -8.781 1.00 0.00 C ATOM 729 CG LYS A 50 2.800 -0.110 -10.077 1.00 0.00 C ATOM 730 CD LYS A 50 3.479 -0.713 -11.296 1.00 0.00 C ATOM 731 CE LYS A 50 2.886 -0.173 -12.586 1.00 0.00 C ATOM 732 NZ LYS A 50 3.346 1.207 -12.886 1.00 0.00 N ATOM 0 H LYS A 50 4.264 -1.006 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 50 2.521 0.912 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.440 -0.288 -8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.427 -1.715 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.736 -0.345 -10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.887 0.976 -10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.546 -0.494 -11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.375 -1.798 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.158 -0.831 -13.411 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.798 -0.183 -12.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.914 1.531 -13.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.064 1.843 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.382 1.215 -12.981 1.00 0.00 H new ATOM 746 N LEU A 51 1.241 -2.088 -7.065 1.00 0.00 N ATOM 747 CA LEU A 51 -0.011 -2.821 -6.931 1.00 0.00 C ATOM 748 C LEU A 51 -0.889 -2.218 -5.852 1.00 0.00 C ATOM 749 O LEU A 51 -2.100 -2.115 -6.017 1.00 0.00 O ATOM 750 CB LEU A 51 0.253 -4.283 -6.598 1.00 0.00 C ATOM 751 CG LEU A 51 0.133 -5.258 -7.759 1.00 0.00 C ATOM 752 CD1 LEU A 51 1.078 -4.893 -8.889 1.00 0.00 C ATOM 753 CD2 LEU A 51 0.419 -6.654 -7.262 1.00 0.00 C ATOM 0 H LEU A 51 2.071 -2.623 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.529 -2.753 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.257 -4.366 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.443 -4.590 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.881 -5.209 -8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.967 -5.610 -9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.842 -3.893 -9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.105 -4.914 -8.525 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.335 -7.359 -8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.428 -6.695 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.299 -6.918 -6.486 1.00 0.00 H new ATOM 765 N ILE A 52 -0.277 -1.855 -4.732 1.00 0.00 N ATOM 766 CA ILE A 52 -0.992 -1.215 -3.643 1.00 0.00 C ATOM 767 C ILE A 52 -1.681 0.066 -4.103 1.00 0.00 C ATOM 768 O ILE A 52 -2.861 0.271 -3.835 1.00 0.00 O ATOM 769 CB ILE A 52 -0.043 -0.892 -2.482 1.00 0.00 C ATOM 770 CG1 ILE A 52 0.683 -2.157 -2.032 1.00 0.00 C ATOM 771 CG2 ILE A 52 -0.813 -0.273 -1.328 1.00 0.00 C ATOM 772 CD1 ILE A 52 1.676 -1.921 -0.922 1.00 0.00 C ATOM 0 H ILE A 52 0.718 -1.995 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.753 -1.918 -3.303 1.00 0.00 H new ATOM 0 HB ILE A 52 0.700 -0.170 -2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.053 -2.890 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.202 -2.591 -2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.127 -0.049 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.292 0.647 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.574 -0.973 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.153 -2.864 -0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.434 -1.213 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.160 -1.516 -0.052 1.00 0.00 H new ATOM 784 N TYR A 53 -0.945 0.915 -4.810 1.00 0.00 N ATOM 785 CA TYR A 53 -1.499 2.169 -5.308 1.00 0.00 C ATOM 786 C TYR A 53 -2.642 1.892 -6.279 1.00 0.00 C ATOM 787 O TYR A 53 -3.702 2.521 -6.211 1.00 0.00 O ATOM 788 CB TYR A 53 -0.407 2.993 -5.991 1.00 0.00 C ATOM 789 CG TYR A 53 -0.878 4.352 -6.449 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.196 5.343 -5.529 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.008 4.642 -7.801 1.00 0.00 C ATOM 792 CE1 TYR A 53 -1.630 6.587 -5.943 1.00 0.00 C ATOM 793 CE2 TYR A 53 -1.442 5.883 -8.223 1.00 0.00 C ATOM 794 CZ TYR A 53 -1.737 6.855 -7.294 1.00 0.00 C ATOM 795 OH TYR A 53 -2.190 8.086 -7.710 1.00 0.00 O ATOM 0 H TYR A 53 0.034 0.759 -5.051 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.890 2.739 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.427 3.120 -5.301 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.029 2.439 -6.850 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.102 5.137 -4.473 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.766 3.886 -8.533 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.884 7.344 -5.216 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.550 6.090 -9.277 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.206 8.115 -8.689 1.00 0.00 H new ATOM 805 N ASP A 54 -2.412 0.939 -7.171 1.00 0.00 N ATOM 806 CA ASP A 54 -3.440 0.465 -8.095 1.00 0.00 C ATOM 807 C ASP A 54 -4.666 -0.017 -7.328 1.00 0.00 C ATOM 808 O ASP A 54 -5.798 0.349 -7.643 1.00 0.00 O ATOM 809 CB ASP A 54 -2.856 -0.669 -8.948 1.00 0.00 C ATOM 810 CG ASP A 54 -3.909 -1.575 -9.552 1.00 0.00 C ATOM 811 OD1 ASP A 54 -4.388 -1.274 -10.669 1.00 0.00 O ATOM 812 OD2 ASP A 54 -4.286 -2.570 -8.903 1.00 0.00 O ATOM 0 H ASP A 54 -1.511 0.472 -7.277 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.753 1.283 -8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.256 -0.238 -9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.184 -1.267 -8.332 1.00 0.00 H new ATOM 817 N PHE A 55 -4.413 -0.824 -6.308 1.00 0.00 N ATOM 818 CA PHE A 55 -5.450 -1.330 -5.421 1.00 0.00 C ATOM 819 C PHE A 55 -6.269 -0.191 -4.835 1.00 0.00 C ATOM 820 O PHE A 55 -7.497 -0.195 -4.889 1.00 0.00 O ATOM 821 CB PHE A 55 -4.795 -2.132 -4.293 1.00 0.00 C ATOM 822 CG PHE A 55 -5.716 -2.465 -3.160 1.00 0.00 C ATOM 823 CD1 PHE A 55 -6.585 -3.534 -3.258 1.00 0.00 C ATOM 824 CD2 PHE A 55 -5.707 -1.709 -1.991 1.00 0.00 C ATOM 825 CE1 PHE A 55 -7.429 -3.852 -2.219 1.00 0.00 C ATOM 826 CE2 PHE A 55 -6.552 -2.024 -0.951 1.00 0.00 C ATOM 827 CZ PHE A 55 -7.414 -3.097 -1.064 1.00 0.00 C ATOM 0 H PHE A 55 -3.475 -1.148 -6.071 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.122 -1.970 -5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.396 -3.058 -4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.949 -1.566 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.602 -4.127 -4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.033 -0.870 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.103 -4.692 -2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.541 -1.433 -0.047 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.077 -3.345 -0.248 1.00 0.00 H new ATOM 837 N ILE A 56 -5.569 0.780 -4.280 1.00 0.00 N ATOM 838 CA ILE A 56 -6.198 1.918 -3.638 1.00 0.00 C ATOM 839 C ILE A 56 -7.082 2.683 -4.619 1.00 0.00 C ATOM 840 O ILE A 56 -8.212 3.047 -4.292 1.00 0.00 O ATOM 841 CB ILE A 56 -5.126 2.842 -3.029 1.00 0.00 C ATOM 842 CG1 ILE A 56 -4.405 2.099 -1.904 1.00 0.00 C ATOM 843 CG2 ILE A 56 -5.739 4.133 -2.513 1.00 0.00 C ATOM 844 CD1 ILE A 56 -3.220 2.843 -1.339 1.00 0.00 C ATOM 0 H ILE A 56 -4.549 0.802 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.838 1.550 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.410 3.111 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.114 1.901 -1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.069 1.132 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.957 4.763 -2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.224 4.659 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.476 3.904 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.763 2.251 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.490 3.018 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.551 3.799 -0.933 1.00 0.00 H new ATOM 856 N GLU A 57 -6.584 2.886 -5.831 1.00 0.00 N ATOM 857 CA GLU A 57 -7.346 3.591 -6.851 1.00 0.00 C ATOM 858 C GLU A 57 -8.537 2.747 -7.299 1.00 0.00 C ATOM 859 O GLU A 57 -9.595 3.276 -7.647 1.00 0.00 O ATOM 860 CB GLU A 57 -6.469 3.919 -8.059 1.00 0.00 C ATOM 861 CG GLU A 57 -7.056 5.019 -8.930 1.00 0.00 C ATOM 862 CD GLU A 57 -6.226 5.317 -10.155 1.00 0.00 C ATOM 863 OE1 GLU A 57 -5.277 6.126 -10.051 1.00 0.00 O ATOM 864 OE2 GLU A 57 -6.505 4.729 -11.220 1.00 0.00 O ATOM 0 H GLU A 57 -5.660 2.574 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.706 4.524 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.481 4.223 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.334 3.019 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.060 4.730 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.156 5.928 -8.337 1.00 0.00 H new ATOM 871 N ASP A 58 -8.352 1.433 -7.289 1.00 0.00 N ATOM 872 CA ASP A 58 -9.412 0.498 -7.654 1.00 0.00 C ATOM 873 C ASP A 58 -10.543 0.542 -6.634 1.00 0.00 C ATOM 874 O ASP A 58 -11.715 0.392 -6.981 1.00 0.00 O ATOM 875 CB ASP A 58 -8.851 -0.922 -7.750 1.00 0.00 C ATOM 876 CG ASP A 58 -9.900 -1.947 -8.137 1.00 0.00 C ATOM 877 OD1 ASP A 58 -10.282 -1.997 -9.327 1.00 0.00 O ATOM 878 OD2 ASP A 58 -10.364 -2.693 -7.247 1.00 0.00 O ATOM 0 H ASP A 58 -7.472 0.987 -7.030 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.810 0.792 -8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.045 -0.940 -8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.415 -1.200 -6.791 1.00 0.00 H new ATOM 883 N GLN A 59 -10.183 0.765 -5.378 1.00 0.00 N ATOM 884 CA GLN A 59 -11.163 0.849 -4.302 1.00 0.00 C ATOM 885 C GLN A 59 -11.810 2.230 -4.260 1.00 0.00 C ATOM 886 O GLN A 59 -12.804 2.440 -3.566 1.00 0.00 O ATOM 887 CB GLN A 59 -10.505 0.530 -2.958 1.00 0.00 C ATOM 888 CG GLN A 59 -9.835 -0.833 -2.925 1.00 0.00 C ATOM 889 CD GLN A 59 -10.815 -1.974 -3.114 1.00 0.00 C ATOM 890 OE1 GLN A 59 -11.963 -1.904 -2.681 1.00 0.00 O ATOM 891 NE2 GLN A 59 -10.376 -3.025 -3.788 1.00 0.00 N ATOM 0 H GLN A 59 -9.217 0.892 -5.077 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.944 0.113 -4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.764 1.297 -2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -11.259 0.575 -2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.076 -0.879 -3.706 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.320 -0.957 -1.972 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.416 -3.046 -4.131 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.998 -3.814 -3.964 1.00 0.00 H new ATOM 900 N GLY A 60 -11.248 3.170 -5.014 1.00 0.00 N ATOM 901 CA GLY A 60 -11.835 4.491 -5.107 1.00 0.00 C ATOM 902 C GLY A 60 -10.915 5.597 -4.630 1.00 0.00 C ATOM 903 O GLY A 60 -11.162 6.772 -4.897 1.00 0.00 O ATOM 0 H GLY A 60 -10.397 3.039 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.115 4.683 -6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.753 4.514 -4.519 1.00 0.00 H new ATOM 907 N GLY A 61 -9.855 5.232 -3.926 1.00 0.00 N ATOM 908 CA GLY A 61 -8.909 6.226 -3.459 1.00 0.00 C ATOM 909 C GLY A 61 -8.547 6.050 -1.999 1.00 0.00 C ATOM 910 O GLY A 61 -8.937 5.064 -1.369 1.00 0.00 O ATOM 0 H GLY A 61 -9.632 4.270 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.003 6.171 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.331 7.220 -3.607 1.00 0.00 H new ATOM 914 N LEU A 62 -7.812 7.016 -1.459 1.00 0.00 N ATOM 915 CA LEU A 62 -7.296 6.932 -0.098 1.00 0.00 C ATOM 916 C LEU A 62 -8.427 6.971 0.923 1.00 0.00 C ATOM 917 O LEU A 62 -8.597 6.042 1.715 1.00 0.00 O ATOM 918 CB LEU A 62 -6.327 8.082 0.172 1.00 0.00 C ATOM 919 CG LEU A 62 -5.160 8.198 -0.809 1.00 0.00 C ATOM 920 CD1 LEU A 62 -4.272 9.367 -0.433 1.00 0.00 C ATOM 921 CD2 LEU A 62 -4.354 6.910 -0.841 1.00 0.00 C ATOM 0 H LEU A 62 -7.558 7.874 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.771 5.982 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.886 9.017 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.924 7.967 1.178 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.565 8.372 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.445 9.438 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.853 10.289 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.878 9.216 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.529 7.015 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.958 6.704 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.996 6.087 -1.154 1.00 0.00 H new ATOM 933 N GLU A 63 -9.203 8.049 0.891 1.00 0.00 N ATOM 934 CA GLU A 63 -10.306 8.230 1.822 1.00 0.00 C ATOM 935 C GLU A 63 -11.346 7.133 1.633 1.00 0.00 C ATOM 936 O GLU A 63 -12.075 6.790 2.566 1.00 0.00 O ATOM 937 CB GLU A 63 -10.966 9.602 1.639 1.00 0.00 C ATOM 938 CG GLU A 63 -9.984 10.752 1.528 1.00 0.00 C ATOM 939 CD GLU A 63 -9.658 11.085 0.089 1.00 0.00 C ATOM 940 OE1 GLU A 63 -8.891 10.325 -0.538 1.00 0.00 O ATOM 941 OE2 GLU A 63 -10.146 12.116 -0.416 1.00 0.00 O ATOM 0 H GLU A 63 -9.086 8.813 0.226 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.900 8.173 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.585 9.579 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.633 9.788 2.481 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.400 11.632 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.066 10.497 2.057 1.00 0.00 H new ATOM 948 N ALA A 64 -11.405 6.582 0.427 1.00 0.00 N ATOM 949 CA ALA A 64 -12.323 5.492 0.131 1.00 0.00 C ATOM 950 C ALA A 64 -11.984 4.250 0.945 1.00 0.00 C ATOM 951 O ALA A 64 -12.846 3.713 1.638 1.00 0.00 O ATOM 952 CB ALA A 64 -12.316 5.172 -1.354 1.00 0.00 C ATOM 0 H ALA A 64 -10.827 6.873 -0.362 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.325 5.816 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.009 4.355 -1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.623 6.053 -1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.311 4.878 -1.658 1.00 0.00 H new ATOM 958 N VAL A 65 -10.727 3.804 0.891 1.00 0.00 N ATOM 959 CA VAL A 65 -10.333 2.606 1.630 1.00 0.00 C ATOM 960 C VAL A 65 -10.327 2.890 3.133 1.00 0.00 C ATOM 961 O VAL A 65 -10.434 1.975 3.950 1.00 0.00 O ATOM 962 CB VAL A 65 -8.964 2.028 1.177 1.00 0.00 C ATOM 963 CG1 VAL A 65 -8.817 2.088 -0.333 1.00 0.00 C ATOM 964 CG2 VAL A 65 -7.796 2.711 1.864 1.00 0.00 C ATOM 0 H VAL A 65 -9.979 4.244 0.355 1.00 0.00 H new ATOM 0 HA VAL A 65 -11.077 1.841 1.406 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.946 0.981 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.849 1.677 -0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.612 1.506 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.884 3.124 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.861 2.272 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.808 3.775 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.879 2.577 2.942 1.00 0.00 H new ATOM 974 N ARG A 66 -10.222 4.171 3.489 1.00 0.00 N ATOM 975 CA ARG A 66 -10.390 4.597 4.875 1.00 0.00 C ATOM 976 C ARG A 66 -11.788 4.240 5.367 1.00 0.00 C ATOM 977 O ARG A 66 -11.979 3.867 6.523 1.00 0.00 O ATOM 978 CB ARG A 66 -10.195 6.108 5.022 1.00 0.00 C ATOM 979 CG ARG A 66 -8.752 6.578 4.993 1.00 0.00 C ATOM 980 CD ARG A 66 -8.685 8.088 5.156 1.00 0.00 C ATOM 981 NE ARG A 66 -7.326 8.576 5.385 1.00 0.00 N ATOM 982 CZ ARG A 66 -7.039 9.839 5.703 1.00 0.00 C ATOM 983 NH1 ARG A 66 -8.003 10.745 5.800 1.00 0.00 N ATOM 984 NH2 ARG A 66 -5.789 10.201 5.929 1.00 0.00 N ATOM 0 H ARG A 66 -10.022 4.929 2.836 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.635 4.081 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.740 6.608 4.221 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.646 6.427 5.962 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.189 6.094 5.791 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.286 6.286 4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.090 8.563 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.318 8.387 5.991 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.555 7.914 5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.973 10.478 5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.774 11.709 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.039 9.513 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.574 11.168 6.172 1.00 0.00 H new ATOM 998 N GLN A 67 -12.762 4.368 4.476 1.00 0.00 N ATOM 999 CA GLN A 67 -14.147 4.083 4.807 1.00 0.00 C ATOM 1000 C GLN A 67 -14.378 2.582 4.880 1.00 0.00 C ATOM 1001 O GLN A 67 -15.101 2.109 5.750 1.00 0.00 O ATOM 1002 CB GLN A 67 -15.088 4.717 3.784 1.00 0.00 C ATOM 1003 CG GLN A 67 -15.036 6.236 3.765 1.00 0.00 C ATOM 1004 CD GLN A 67 -15.436 6.867 5.087 1.00 0.00 C ATOM 1005 OE1 GLN A 67 -16.345 6.229 5.811 1.00 0.00 O flip ATOM 1006 NE2 GLN A 67 -14.939 7.932 5.451 1.00 0.00 N flip ATOM 0 H GLN A 67 -12.614 4.670 3.513 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.361 4.516 5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -14.838 4.341 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.109 4.400 3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -14.026 6.555 3.509 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -15.695 6.605 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.242 8.395 4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.224 8.352 6.336 1.00 0.00 H new ATOM 1015 N GLU A 68 -13.735 1.844 3.978 1.00 0.00 N ATOM 1016 CA GLU A 68 -13.850 0.387 3.923 1.00 0.00 C ATOM 1017 C GLU A 68 -13.499 -0.244 5.261 1.00 0.00 C ATOM 1018 O GLU A 68 -14.037 -1.287 5.627 1.00 0.00 O ATOM 1019 CB GLU A 68 -12.908 -0.152 2.863 1.00 0.00 C ATOM 1020 CG GLU A 68 -12.997 0.606 1.562 1.00 0.00 C ATOM 1021 CD GLU A 68 -14.220 0.242 0.746 1.00 0.00 C ATOM 1022 OE1 GLU A 68 -15.328 0.705 1.085 1.00 0.00 O ATOM 1023 OE2 GLU A 68 -14.075 -0.500 -0.242 1.00 0.00 O ATOM 0 H GLU A 68 -13.120 2.237 3.265 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.883 0.136 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.885 -0.106 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.135 -1.203 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.012 1.676 1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.102 0.410 0.972 1.00 0.00 H new ATOM 1030 N MET A 69 -12.584 0.405 5.970 1.00 0.00 N ATOM 1031 CA MET A 69 -12.180 -0.009 7.318 1.00 0.00 C ATOM 1032 C MET A 69 -13.392 -0.233 8.221 1.00 0.00 C ATOM 1033 O MET A 69 -13.383 -1.088 9.108 1.00 0.00 O ATOM 1034 CB MET A 69 -11.264 1.037 7.951 1.00 0.00 C ATOM 1035 CG MET A 69 -9.852 1.010 7.400 1.00 0.00 C ATOM 1036 SD MET A 69 -8.719 2.053 8.333 1.00 0.00 S ATOM 1037 CE MET A 69 -7.158 1.396 7.751 1.00 0.00 C ATOM 0 H MET A 69 -12.097 1.235 5.631 1.00 0.00 H new ATOM 0 HA MET A 69 -11.641 -0.951 7.219 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.690 2.027 7.791 1.00 0.00 H new ATOM 0 HB3 MET A 69 -11.229 0.875 9.028 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.484 -0.016 7.407 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.866 1.336 6.360 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.630 0.925 8.580 1.00 0.00 H new ATOM 0 HE2 MET A 69 -7.342 0.657 6.971 1.00 0.00 H new ATOM 0 HE3 MET A 69 -6.550 2.206 7.347 1.00 0.00 H new ATOM 1047 N ARG A 70 -14.426 0.565 7.997 1.00 0.00 N ATOM 1048 CA ARG A 70 -15.680 0.435 8.709 1.00 0.00 C ATOM 1049 C ARG A 70 -16.827 0.230 7.728 1.00 0.00 C ATOM 1050 O ARG A 70 -17.967 0.614 7.997 1.00 0.00 O ATOM 1051 CB ARG A 70 -15.926 1.690 9.540 1.00 0.00 C ATOM 1052 CG ARG A 70 -15.825 2.982 8.740 1.00 0.00 C ATOM 1053 CD ARG A 70 -16.435 4.158 9.483 1.00 0.00 C ATOM 1054 NE ARG A 70 -17.895 4.128 9.435 1.00 0.00 N ATOM 1055 CZ ARG A 70 -18.685 4.916 10.163 1.00 0.00 C ATOM 1056 NH1 ARG A 70 -18.164 5.769 11.037 1.00 0.00 N ATOM 1057 NH2 ARG A 70 -20.001 4.844 10.024 1.00 0.00 N ATOM 0 H ARG A 70 -14.414 1.322 7.313 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.626 -0.432 9.367 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.916 1.628 9.991 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.205 1.721 10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.778 3.194 8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -16.330 2.856 7.782 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -16.105 4.143 10.522 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.075 5.090 9.047 1.00 0.00 H new ATOM 0 HE ARG A 70 -18.338 3.461 8.803 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -17.152 5.824 11.155 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -18.775 6.369 11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -20.408 4.186 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -20.606 5.447 10.581 1.00 0.00 H new ATOM 1203 N VAL B 79 -10.658 -3.562 4.391 1.00 0.00 N ATOM 1204 CA VAL B 79 -10.059 -3.545 3.062 1.00 0.00 C ATOM 1205 C VAL B 79 -8.687 -4.249 3.058 1.00 0.00 C ATOM 1206 O VAL B 79 -8.123 -4.546 2.001 1.00 0.00 O ATOM 1207 CB VAL B 79 -9.945 -2.066 2.581 1.00 0.00 C ATOM 1208 CG1 VAL B 79 -9.254 -1.215 3.618 1.00 0.00 C ATOM 1209 CG2 VAL B 79 -9.222 -1.931 1.258 1.00 0.00 C ATOM 0 HA VAL B 79 -10.695 -4.098 2.370 1.00 0.00 H new ATOM 0 HB VAL B 79 -10.967 -1.716 2.437 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -9.186 -0.188 3.260 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -9.824 -1.238 4.547 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -8.251 -1.603 3.798 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -9.174 -0.879 0.975 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -8.211 -2.328 1.354 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -9.759 -2.489 0.491 1.00 0.00 H new ATOM 1219 N ALA B 80 -8.181 -4.542 4.255 1.00 0.00 N ATOM 1220 CA ALA B 80 -6.902 -5.225 4.435 1.00 0.00 C ATOM 1221 C ALA B 80 -6.819 -6.544 3.660 1.00 0.00 C ATOM 1222 O ALA B 80 -5.869 -6.765 2.910 1.00 0.00 O ATOM 1223 CB ALA B 80 -6.656 -5.478 5.914 1.00 0.00 C ATOM 0 H ALA B 80 -8.649 -4.311 5.131 1.00 0.00 H new ATOM 0 HA ALA B 80 -6.130 -4.569 4.033 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -5.701 -5.988 6.042 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -6.635 -4.527 6.447 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -7.456 -6.101 6.315 1.00 0.00 H new ATOM 1229 N GLN B 81 -7.808 -7.417 3.833 1.00 0.00 N ATOM 1230 CA GLN B 81 -7.770 -8.745 3.221 1.00 0.00 C ATOM 1231 C GLN B 81 -7.890 -8.656 1.708 1.00 0.00 C ATOM 1232 O GLN B 81 -7.256 -9.418 0.977 1.00 0.00 O ATOM 1233 CB GLN B 81 -8.878 -9.621 3.786 1.00 0.00 C ATOM 1234 CG GLN B 81 -8.368 -10.915 4.391 1.00 0.00 C ATOM 1235 CD GLN B 81 -7.941 -11.926 3.350 1.00 0.00 C ATOM 1236 OE1 GLN B 81 -8.512 -12.000 2.261 1.00 0.00 O ATOM 1237 NE2 GLN B 81 -6.924 -12.704 3.672 1.00 0.00 N ATOM 0 H GLN B 81 -8.643 -7.231 4.389 1.00 0.00 H new ATOM 0 HA GLN B 81 -6.807 -9.197 3.458 1.00 0.00 H new ATOM 0 HB2 GLN B 81 -9.422 -9.062 4.547 1.00 0.00 H new ATOM 0 HB3 GLN B 81 -9.588 -9.854 2.993 1.00 0.00 H new ATOM 0 HG2 GLN B 81 -7.524 -10.696 5.045 1.00 0.00 H new ATOM 0 HG3 GLN B 81 -9.149 -11.351 5.014 1.00 0.00 H new ATOM 0 HE21 GLN B 81 -6.479 -12.610 4.585 1.00 0.00 H new ATOM 0 HE22 GLN B 81 -6.583 -13.399 3.008 1.00 0.00 H new ATOM 1246 N ARG B 82 -8.709 -7.722 1.251 1.00 0.00 N ATOM 1247 CA ARG B 82 -8.836 -7.435 -0.167 1.00 0.00 C ATOM 1248 C ARG B 82 -7.460 -7.105 -0.757 1.00 0.00 C ATOM 1249 O ARG B 82 -7.121 -7.511 -1.872 1.00 0.00 O ATOM 1250 CB ARG B 82 -9.800 -6.259 -0.361 1.00 0.00 C ATOM 1251 CG ARG B 82 -10.079 -5.927 -1.812 1.00 0.00 C ATOM 1252 CD ARG B 82 -10.983 -6.962 -2.467 1.00 0.00 C ATOM 1253 NE ARG B 82 -12.308 -6.995 -1.850 1.00 0.00 N ATOM 1254 CZ ARG B 82 -13.129 -8.042 -1.886 1.00 0.00 C ATOM 1255 NH1 ARG B 82 -12.806 -9.124 -2.589 1.00 0.00 N ATOM 1256 NH2 ARG B 82 -14.291 -7.985 -1.248 1.00 0.00 N ATOM 0 H ARG B 82 -9.301 -7.145 1.849 1.00 0.00 H new ATOM 0 HA ARG B 82 -9.232 -8.309 -0.685 1.00 0.00 H new ATOM 0 HB2 ARG B 82 -10.742 -6.488 0.137 1.00 0.00 H new ATOM 0 HB3 ARG B 82 -9.386 -5.378 0.130 1.00 0.00 H new ATOM 0 HG2 ARG B 82 -10.546 -4.944 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG B 82 -9.138 -5.869 -2.359 1.00 0.00 H new ATOM 0 HD2 ARG B 82 -11.082 -6.738 -3.529 1.00 0.00 H new ATOM 0 HD3 ARG B 82 -10.522 -7.947 -2.391 1.00 0.00 H new ATOM 0 HE ARG B 82 -12.625 -6.159 -1.359 1.00 0.00 H new ATOM 0 HH11 ARG B 82 -11.926 -9.154 -3.104 1.00 0.00 H new ATOM 0 HH12 ARG B 82 -13.438 -9.924 -2.613 1.00 0.00 H new ATOM 0 HH21 ARG B 82 -14.550 -7.143 -0.734 1.00 0.00 H new ATOM 0 HH22 ARG B 82 -14.925 -8.783 -1.271 1.00 0.00 H new ATOM 1270 N LEU B 83 -6.667 -6.391 0.028 1.00 0.00 N ATOM 1271 CA LEU B 83 -5.338 -5.962 -0.382 1.00 0.00 C ATOM 1272 C LEU B 83 -4.337 -7.113 -0.328 1.00 0.00 C ATOM 1273 O LEU B 83 -3.500 -7.246 -1.222 1.00 0.00 O ATOM 1274 CB LEU B 83 -4.886 -4.813 0.521 1.00 0.00 C ATOM 1275 CG LEU B 83 -3.446 -4.335 0.339 1.00 0.00 C ATOM 1276 CD1 LEU B 83 -3.191 -3.891 -1.093 1.00 0.00 C ATOM 1277 CD2 LEU B 83 -3.164 -3.200 1.307 1.00 0.00 C ATOM 0 H LEU B 83 -6.927 -6.092 0.968 1.00 0.00 H new ATOM 0 HA LEU B 83 -5.382 -5.622 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU B 83 -5.551 -3.966 0.355 1.00 0.00 H new ATOM 0 HB3 LEU B 83 -5.015 -5.122 1.558 1.00 0.00 H new ATOM 0 HG LEU B 83 -2.773 -5.166 0.550 1.00 0.00 H new ATOM 0 HD11 LEU B 83 -2.158 -3.556 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU B 83 -3.368 -4.727 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU B 83 -3.864 -3.071 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU B 83 -2.137 -2.858 1.178 1.00 0.00 H new ATOM 0 HD22 LEU B 83 -3.848 -2.375 1.110 1.00 0.00 H new ATOM 0 HD23 LEU B 83 -3.304 -3.551 2.330 1.00 0.00 H new ATOM 1289 N MET B 84 -4.438 -7.942 0.711 1.00 0.00 N ATOM 1290 CA MET B 84 -3.529 -9.078 0.894 1.00 0.00 C ATOM 1291 C MET B 84 -3.406 -9.897 -0.382 1.00 0.00 C ATOM 1292 O MET B 84 -2.308 -10.126 -0.893 1.00 0.00 O ATOM 1293 CB MET B 84 -4.025 -10.007 2.002 1.00 0.00 C ATOM 1294 CG MET B 84 -4.115 -9.375 3.377 1.00 0.00 C ATOM 1295 SD MET B 84 -4.684 -10.547 4.627 1.00 0.00 S ATOM 1296 CE MET B 84 -4.726 -9.502 6.079 1.00 0.00 C ATOM 0 H MET B 84 -5.143 -7.849 1.443 1.00 0.00 H new ATOM 0 HA MET B 84 -2.559 -8.661 1.162 1.00 0.00 H new ATOM 0 HB2 MET B 84 -5.010 -10.383 1.726 1.00 0.00 H new ATOM 0 HB3 MET B 84 -3.360 -10.869 2.058 1.00 0.00 H new ATOM 0 HG2 MET B 84 -3.137 -8.988 3.662 1.00 0.00 H new ATOM 0 HG3 MET B 84 -4.796 -8.525 3.341 1.00 0.00 H new ATOM 0 HE1 MET B 84 -5.401 -9.933 6.818 1.00 0.00 H new ATOM 0 HE2 MET B 84 -3.724 -9.427 6.502 1.00 0.00 H new ATOM 0 HE3 MET B 84 -5.078 -8.508 5.802 1.00 0.00 H new ATOM 1306 N GLN B 85 -4.551 -10.314 -0.896 1.00 0.00 N ATOM 1307 CA GLN B 85 -4.600 -11.184 -2.058 1.00 0.00 C ATOM 1308 C GLN B 85 -4.109 -10.475 -3.311 1.00 0.00 C ATOM 1309 O GLN B 85 -3.554 -11.110 -4.210 1.00 0.00 O ATOM 1310 CB GLN B 85 -6.023 -11.689 -2.268 1.00 0.00 C ATOM 1311 CG GLN B 85 -6.513 -12.594 -1.150 1.00 0.00 C ATOM 1312 CD GLN B 85 -5.689 -13.859 -1.024 1.00 0.00 C ATOM 1313 OE1 GLN B 85 -4.695 -13.902 -0.293 1.00 0.00 O ATOM 1314 NE2 GLN B 85 -6.100 -14.900 -1.725 1.00 0.00 N ATOM 0 H GLN B 85 -5.466 -10.061 -0.523 1.00 0.00 H new ATOM 0 HA GLN B 85 -3.936 -12.028 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN B 85 -6.695 -10.835 -2.355 1.00 0.00 H new ATOM 0 HB3 GLN B 85 -6.073 -12.231 -3.212 1.00 0.00 H new ATOM 0 HG2 GLN B 85 -6.483 -12.049 -0.206 1.00 0.00 H new ATOM 0 HG3 GLN B 85 -7.554 -12.859 -1.332 1.00 0.00 H new ATOM 0 HE21 GLN B 85 -6.927 -14.822 -2.317 1.00 0.00 H new ATOM 0 HE22 GLN B 85 -5.591 -15.782 -1.674 1.00 0.00 H new ATOM 1323 N HIS B 86 -4.294 -9.157 -3.363 1.00 0.00 N ATOM 1324 CA HIS B 86 -3.939 -8.391 -4.554 1.00 0.00 C ATOM 1325 C HIS B 86 -2.424 -8.349 -4.776 1.00 0.00 C ATOM 1326 O HIS B 86 -1.967 -8.092 -5.886 1.00 0.00 O ATOM 1327 CB HIS B 86 -4.506 -6.969 -4.492 1.00 0.00 C ATOM 1328 CG HIS B 86 -4.325 -6.210 -5.775 1.00 0.00 C ATOM 1329 ND1 HIS B 86 -4.753 -6.686 -6.995 1.00 0.00 N ATOM 1330 CD2 HIS B 86 -3.740 -5.015 -6.025 1.00 0.00 C ATOM 1331 CE1 HIS B 86 -4.440 -5.817 -7.938 1.00 0.00 C ATOM 1332 NE2 HIS B 86 -3.827 -4.789 -7.380 1.00 0.00 N ATOM 0 H HIS B 86 -4.684 -8.602 -2.601 1.00 0.00 H new ATOM 0 HA HIS B 86 -4.388 -8.906 -5.404 1.00 0.00 H new ATOM 0 HB2 HIS B 86 -5.568 -7.017 -4.251 1.00 0.00 H new ATOM 0 HB3 HIS B 86 -4.020 -6.425 -3.682 1.00 0.00 H new ATOM 0 HD2 HIS B 86 -3.288 -4.359 -5.295 1.00 0.00 H new ATOM 0 HE1 HIS B 86 -4.650 -5.928 -8.991 1.00 0.00 H new ATOM 0 HE2 HIS B 86 -3.477 -3.966 -7.871 1.00 0.00 H new ATOM 1341 N LEU B 87 -1.642 -8.595 -3.733 1.00 0.00 N ATOM 1342 CA LEU B 87 -0.197 -8.689 -3.901 1.00 0.00 C ATOM 1343 C LEU B 87 0.198 -10.102 -4.323 1.00 0.00 C ATOM 1344 O LEU B 87 1.006 -10.288 -5.233 1.00 0.00 O ATOM 1345 CB LEU B 87 0.561 -8.292 -2.625 1.00 0.00 C ATOM 1346 CG LEU B 87 0.740 -6.785 -2.387 1.00 0.00 C ATOM 1347 CD1 LEU B 87 1.117 -6.080 -3.680 1.00 0.00 C ATOM 1348 CD2 LEU B 87 -0.508 -6.165 -1.781 1.00 0.00 C ATOM 0 H LEU B 87 -1.975 -8.731 -2.779 1.00 0.00 H new ATOM 0 HA LEU B 87 0.083 -7.984 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU B 87 0.036 -8.715 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU B 87 1.548 -8.754 -2.654 1.00 0.00 H new ATOM 0 HG LEU B 87 1.553 -6.656 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU B 87 1.239 -5.014 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU B 87 2.053 -6.491 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU B 87 0.330 -6.229 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU B 87 -0.346 -5.098 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU B 87 -1.351 -6.310 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU B 87 -0.724 -6.642 -0.825 1.00 0.00 H new ATOM 1360 N ALA B 88 -0.407 -11.092 -3.683 1.00 0.00 N ATOM 1361 CA ALA B 88 -0.062 -12.492 -3.927 1.00 0.00 C ATOM 1362 C ALA B 88 -0.409 -12.932 -5.351 1.00 0.00 C ATOM 1363 O ALA B 88 0.142 -13.908 -5.859 1.00 0.00 O ATOM 1364 CB ALA B 88 -0.767 -13.383 -2.916 1.00 0.00 C ATOM 0 H ALA B 88 -1.141 -10.955 -2.989 1.00 0.00 H new ATOM 0 HA ALA B 88 1.017 -12.590 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA B 88 -0.505 -14.424 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA B 88 -0.456 -13.107 -1.908 1.00 0.00 H new ATOM 0 HB3 ALA B 88 -1.846 -13.257 -3.010 1.00 0.00 H new ATOM 1370 N GLU B 89 -1.306 -12.198 -5.998 1.00 0.00 N ATOM 1371 CA GLU B 89 -1.790 -12.571 -7.324 1.00 0.00 C ATOM 1372 C GLU B 89 -0.793 -12.213 -8.430 1.00 0.00 C ATOM 1373 O GLU B 89 -0.957 -12.637 -9.571 1.00 0.00 O ATOM 1374 CB GLU B 89 -3.136 -11.904 -7.602 1.00 0.00 C ATOM 1375 CG GLU B 89 -3.091 -10.388 -7.517 1.00 0.00 C ATOM 1376 CD GLU B 89 -4.378 -9.718 -7.959 1.00 0.00 C ATOM 1377 OE1 GLU B 89 -5.311 -9.602 -7.138 1.00 0.00 O ATOM 1378 OE2 GLU B 89 -4.451 -9.270 -9.119 1.00 0.00 O ATOM 0 H GLU B 89 -1.714 -11.340 -5.627 1.00 0.00 H new ATOM 0 HA GLU B 89 -1.909 -13.655 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -3.478 -12.194 -8.596 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -3.872 -12.278 -6.890 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -2.873 -10.096 -6.490 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -2.270 -10.022 -8.133 1.00 0.00 H new ATOM 1385 N HIS B 90 0.242 -11.440 -8.106 1.00 0.00 N ATOM 1386 CA HIS B 90 1.184 -10.986 -9.138 1.00 0.00 C ATOM 1387 C HIS B 90 2.632 -11.349 -8.828 1.00 0.00 C ATOM 1388 O HIS B 90 3.551 -10.798 -9.434 1.00 0.00 O ATOM 1389 CB HIS B 90 1.084 -9.474 -9.353 1.00 0.00 C ATOM 1390 CG HIS B 90 -0.207 -9.034 -9.966 1.00 0.00 C ATOM 1391 ND1 HIS B 90 -1.286 -8.434 -9.419 1.00 0.00 N flip ATOM 1392 CD2 HIS B 90 -0.504 -9.211 -11.296 1.00 0.00 C flip ATOM 1393 CE1 HIS B 90 -2.214 -8.267 -10.416 1.00 0.00 C flip ATOM 1394 NE2 HIS B 90 -1.711 -8.742 -11.540 1.00 0.00 N flip ATOM 0 H HIS B 90 0.451 -11.119 -7.161 1.00 0.00 H new ATOM 0 HA HIS B 90 0.895 -11.511 -10.049 1.00 0.00 H new ATOM 0 HB2 HIS B 90 1.210 -8.971 -8.394 1.00 0.00 H new ATOM 0 HB3 HIS B 90 1.907 -9.152 -9.992 1.00 0.00 H new ATOM 0 HD2 HIS B 90 0.150 -9.664 -12.027 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -3.191 -7.822 -10.300 1.00 0.00 H new ATOM 0 HE2 HIS B 90 -2.179 -8.745 -12.446 1.00 0.00 H new ATOM 1403 N GLY B 91 2.839 -12.274 -7.902 1.00 0.00 N ATOM 1404 CA GLY B 91 4.196 -12.677 -7.554 1.00 0.00 C ATOM 1405 C GLY B 91 4.994 -11.535 -6.957 1.00 0.00 C ATOM 1406 O GLY B 91 6.151 -11.310 -7.312 1.00 0.00 O ATOM 0 H GLY B 91 2.101 -12.753 -7.386 1.00 0.00 H new ATOM 0 HA2 GLY B 91 4.158 -13.502 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY B 91 4.704 -13.047 -8.445 1.00 0.00 H new ATOM 1410 N ILE B 92 4.356 -10.817 -6.054 1.00 0.00 N ATOM 1411 CA ILE B 92 4.946 -9.663 -5.394 1.00 0.00 C ATOM 1412 C ILE B 92 5.818 -10.116 -4.225 1.00 0.00 C ATOM 1413 O ILE B 92 5.495 -11.101 -3.556 1.00 0.00 O ATOM 1414 CB ILE B 92 3.821 -8.746 -4.897 1.00 0.00 C ATOM 1415 CG1 ILE B 92 3.058 -8.194 -6.098 1.00 0.00 C ATOM 1416 CG2 ILE B 92 4.356 -7.626 -4.026 1.00 0.00 C ATOM 1417 CD1 ILE B 92 3.920 -7.413 -7.062 1.00 0.00 C ATOM 0 H ILE B 92 3.403 -11.018 -5.753 1.00 0.00 H new ATOM 0 HA ILE B 92 5.575 -9.118 -6.098 1.00 0.00 H new ATOM 0 HB ILE B 92 3.141 -9.329 -4.275 1.00 0.00 H new ATOM 0 HG12 ILE B 92 2.591 -9.022 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE B 92 2.254 -7.551 -5.741 1.00 0.00 H new ATOM 0 HG21 ILE B 92 3.530 -6.998 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE B 92 4.862 -8.050 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE B 92 5.061 -7.024 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE B 92 3.307 -7.053 -7.889 1.00 0.00 H new ATOM 0 HD12 ILE B 92 4.367 -6.564 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE B 92 4.709 -8.058 -7.449 1.00 0.00 H new ATOM 1429 N GLN B 93 6.917 -9.405 -3.984 1.00 0.00 N ATOM 1430 CA GLN B 93 7.864 -9.789 -2.941 1.00 0.00 C ATOM 1431 C GLN B 93 7.298 -9.488 -1.557 1.00 0.00 C ATOM 1432 O GLN B 93 7.078 -8.329 -1.198 1.00 0.00 O ATOM 1433 CB GLN B 93 9.209 -9.077 -3.141 1.00 0.00 C ATOM 1434 CG GLN B 93 10.088 -9.698 -4.223 1.00 0.00 C ATOM 1435 CD GLN B 93 9.450 -9.685 -5.602 1.00 0.00 C ATOM 1436 OE1 GLN B 93 9.603 -8.729 -6.361 1.00 0.00 O ATOM 1437 NE2 GLN B 93 8.747 -10.754 -5.943 1.00 0.00 N ATOM 0 H GLN B 93 7.173 -8.561 -4.496 1.00 0.00 H new ATOM 0 HA GLN B 93 8.031 -10.864 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN B 93 9.021 -8.034 -3.395 1.00 0.00 H new ATOM 0 HB3 GLN B 93 9.755 -9.082 -2.197 1.00 0.00 H new ATOM 0 HG2 GLN B 93 11.035 -9.160 -4.264 1.00 0.00 H new ATOM 0 HG3 GLN B 93 10.318 -10.727 -3.947 1.00 0.00 H new ATOM 0 HE21 GLN B 93 8.643 -11.527 -5.286 1.00 0.00 H new ATOM 0 HE22 GLN B 93 8.310 -10.805 -6.863 1.00 0.00 H new