USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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: B 14 LYS NZ :NH3+ 180:sc= 2.22 (180deg=0.979) USER MOD Set 1.2: B 81 ASN : amide:sc= 0.968 K(o=6.5,f=-13!) USER MOD Set 1.3: B 83 SER OG : rot -77:sc= 1.09 USER MOD Set 1.4: B 84 THR OG1 : rot 107:sc= 2.26 USER MOD Set 2.1: B 66 GLN : amide:sc= -4.66! C(o=-5.4!,f=-7.3!) USER MOD Set 2.2: B 74 THR OG1 : rot 33:sc= 0.0221 USER MOD Set 2.3: B 76 ASN : amide:sc= -0.785 K(o=-5.4,f=-9.5!) USER MOD Set 3.1: A 52 GLN : amide:sc= -8.13! C(o=-12!,f=-14!) USER MOD Set 3.2: B 56 SER OG : rot 75:sc= 2.36 USER MOD Set 3.3: B 64 GLN : amide:sc= -5.75! C(o=-12!,f=-11!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ 169:sc= 1.39 (180deg=0) USER MOD Set 4.2: B 52 CYS SG : rot -170:sc= -4.68! USER MOD Single : B 13 LYS NZ :NH3+ -157:sc= 0.158 (180deg=-0.0375) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.108 F(o=-1.2!,f=-0.11) USER MOD Single : B 18 LYS NZ :NH3+ -106:sc= 1.28 (180deg=-0.425) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= -0.356! X(o=-0.36!,f=-0.16) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -98:sc= -0.305 (180deg=-1.66!) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.387 K(o=-0.39,f=-1.2) USER MOD Single : B 46 MET CE :methyl 129:sc= -0.17 (180deg=-1.17) USER MOD Single : B 47 TYR OH : rot 160:sc= 1.2 USER MOD Single : B 53 GLN : amide:sc= -0.904 K(o=-0.9,f=-2!) USER MOD Single : B 54 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.21) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS :FLIP no HE2:sc= -0.38 F(o=-2.1,f=-0.38) USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -6.56! C(o=-6.6!,f=-6.8!) USER MOD Single : B 80 SER OG : rot 3:sc= 0.235 USER MOD Single : B 87 LYS NZ :NH3+ 144:sc= 1.29 (180deg=0.731) USER MOD Single : B 93 LYS NZ :NH3+ -147:sc= 2.36 (180deg=1.97) USER MOD Single : B 97 GLN : amide:sc= 0.33 X(o=0.33,f=-0.022) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 102 LYS NZ :NH3+ -170:sc= 1.31 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.866 8.470 14.175 1.00 0.00 N ATOM 135 CA ILE A 50 -1.706 7.891 13.158 1.00 0.00 C ATOM 136 C ILE A 50 -2.318 6.569 13.610 1.00 0.00 C ATOM 137 O ILE A 50 -1.622 5.590 13.870 1.00 0.00 O ATOM 138 CB ILE A 50 -0.893 7.710 11.845 1.00 0.00 C ATOM 139 CG1 ILE A 50 -1.250 8.787 10.833 1.00 0.00 C ATOM 140 CG2 ILE A 50 -1.100 6.352 11.209 1.00 0.00 C ATOM 141 CD1 ILE A 50 -0.218 8.930 9.746 1.00 0.00 C ATOM 0 HA ILE A 50 -2.535 8.574 12.972 1.00 0.00 H new ATOM 0 HB ILE A 50 0.156 7.795 12.128 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.215 8.552 10.383 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.363 9.741 11.349 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.508 6.284 10.296 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.787 5.573 11.904 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.155 6.220 10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.526 9.713 9.053 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.742 9.194 10.189 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.123 7.987 9.209 1.00 0.00 H new ATOM 153 N GLU A 51 -3.625 6.620 13.780 1.00 0.00 N ATOM 154 CA GLU A 51 -4.458 5.463 14.106 1.00 0.00 C ATOM 155 C GLU A 51 -5.925 5.853 13.976 1.00 0.00 C ATOM 156 O GLU A 51 -6.803 5.360 14.674 1.00 0.00 O ATOM 157 CB GLU A 51 -4.156 4.824 15.461 1.00 0.00 C ATOM 158 CG GLU A 51 -3.335 3.546 15.328 1.00 0.00 C ATOM 159 CD GLU A 51 -3.723 2.733 14.101 1.00 0.00 C ATOM 160 OE1 GLU A 51 -4.678 1.933 14.189 1.00 0.00 O ATOM 161 OE2 GLU A 51 -3.082 2.904 13.040 1.00 0.00 O ATOM 0 H GLU A 51 -4.157 7.486 13.695 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.215 4.681 13.387 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.616 5.537 16.084 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.093 4.600 15.971 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.277 3.801 15.272 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.469 2.937 16.222 1.00 0.00 H new ATOM 168 N GLN A 52 -6.140 6.776 13.054 1.00 0.00 N ATOM 169 CA GLN A 52 -7.455 7.265 12.681 1.00 0.00 C ATOM 170 C GLN A 52 -7.705 6.710 11.317 1.00 0.00 C ATOM 171 O GLN A 52 -7.433 7.323 10.283 1.00 0.00 O ATOM 172 CB GLN A 52 -7.527 8.804 12.712 1.00 0.00 C ATOM 173 CG GLN A 52 -6.554 9.518 11.768 1.00 0.00 C ATOM 174 CD GLN A 52 -5.098 9.188 12.040 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.524 9.640 13.023 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.487 8.391 11.170 1.00 0.00 N ATOM 0 H GLN A 52 -5.384 7.217 12.531 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.222 6.943 13.386 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.543 9.110 12.462 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.334 9.141 13.731 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.794 9.248 10.739 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.697 10.595 11.857 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.996 8.033 10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.509 8.138 11.310 1.00 0.00 H new ATOM 185 N TRP A 53 -8.163 5.498 11.329 1.00 0.00 N ATOM 186 CA TRP A 53 -8.360 4.786 10.121 1.00 0.00 C ATOM 187 C TRP A 53 -9.737 4.215 10.006 1.00 0.00 C ATOM 188 O TRP A 53 -10.567 4.313 10.904 1.00 0.00 O ATOM 189 CB TRP A 53 -7.365 3.635 10.075 1.00 0.00 C ATOM 190 CG TRP A 53 -5.938 4.066 10.116 1.00 0.00 C ATOM 191 CD1 TRP A 53 -5.238 4.528 11.173 1.00 0.00 C ATOM 192 CD2 TRP A 53 -5.056 4.061 9.028 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.950 4.839 10.790 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.815 4.554 9.458 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.218 3.688 7.729 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.733 4.680 8.579 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.184 3.802 6.876 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.951 4.294 7.287 1.00 0.00 C ATOM 0 H TRP A 53 -8.408 4.983 12.175 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.219 5.487 9.298 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.557 2.968 10.916 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.534 3.058 9.166 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.629 4.638 12.174 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.222 5.217 11.396 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.168 3.304 7.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.777 5.062 8.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.315 3.504 5.846 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.148 4.373 6.569 1.00 0.00 H new ATOM 209 N PHE A 54 -9.961 3.691 8.836 1.00 0.00 N ATOM 210 CA PHE A 54 -11.155 2.988 8.508 1.00 0.00 C ATOM 211 C PHE A 54 -10.675 1.619 8.174 1.00 0.00 C ATOM 212 O PHE A 54 -10.207 1.389 7.056 1.00 0.00 O ATOM 213 CB PHE A 54 -11.860 3.597 7.310 1.00 0.00 C ATOM 214 CG PHE A 54 -12.096 5.060 7.440 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.421 5.616 8.664 1.00 0.00 C ATOM 216 CD2 PHE A 54 -12.015 5.876 6.336 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.659 6.955 8.782 1.00 0.00 C ATOM 218 CE2 PHE A 54 -12.263 7.214 6.439 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.588 7.765 7.667 1.00 0.00 C ATOM 0 H PHE A 54 -9.295 3.746 8.065 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.879 3.014 9.322 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.265 3.411 6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.816 3.094 7.167 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.487 4.983 9.537 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.752 5.453 5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.902 7.379 9.745 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.206 7.843 5.563 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.785 8.823 7.752 1.00 0.00 H new ATOM 246 N GLU A 56 -10.901 -1.046 6.727 1.00 0.00 N ATOM 247 CA GLU A 56 -11.607 -1.694 5.629 1.00 0.00 C ATOM 248 C GLU A 56 -11.755 -3.191 5.843 1.00 0.00 C ATOM 249 O GLU A 56 -12.840 -3.755 5.697 1.00 0.00 O ATOM 250 CB GLU A 56 -10.827 -1.440 4.350 1.00 0.00 C ATOM 251 CG GLU A 56 -11.228 -0.149 3.643 1.00 0.00 C ATOM 252 CD GLU A 56 -11.840 -0.401 2.275 1.00 0.00 C ATOM 253 OE1 GLU A 56 -11.496 -1.427 1.643 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.656 0.430 1.824 1.00 0.00 O ATOM 0 HA GLU A 56 -12.612 -1.277 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.763 -1.402 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.975 -2.279 3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.942 0.394 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.351 0.489 3.533 1.00 0.00 H new ATOM 261 N ASP A 57 -10.654 -3.825 6.191 1.00 0.00 N ATOM 262 CA ASP A 57 -10.644 -5.251 6.437 1.00 0.00 C ATOM 263 C ASP A 57 -9.903 -5.538 7.727 1.00 0.00 C ATOM 264 O ASP A 57 -8.711 -5.273 7.832 1.00 0.00 O ATOM 265 CB ASP A 57 -10.018 -5.990 5.243 1.00 0.00 C ATOM 266 CG ASP A 57 -9.162 -7.183 5.633 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.716 -8.226 6.042 1.00 0.00 O ATOM 268 OD2 ASP A 57 -7.924 -7.090 5.512 1.00 0.00 O ATOM 0 H ASP A 57 -9.749 -3.370 6.310 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.666 -5.613 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.815 -6.329 4.581 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.408 -5.288 4.674 1.00 0.00 H new ATOM 415 N GLU B 7 4.058 -8.876 -11.752 1.00 0.00 N ATOM 416 CA GLU B 7 3.080 -8.156 -12.542 1.00 0.00 C ATOM 417 C GLU B 7 2.820 -6.802 -11.914 1.00 0.00 C ATOM 418 O GLU B 7 2.628 -6.700 -10.704 1.00 0.00 O ATOM 419 CB GLU B 7 1.774 -8.944 -12.646 1.00 0.00 C ATOM 420 CG GLU B 7 0.761 -8.300 -13.576 1.00 0.00 C ATOM 421 CD GLU B 7 1.318 -8.098 -14.971 1.00 0.00 C ATOM 422 OE1 GLU B 7 2.000 -7.075 -15.193 1.00 0.00 O ATOM 423 OE2 GLU B 7 1.086 -8.969 -15.833 1.00 0.00 O ATOM 0 HA GLU B 7 3.476 -8.022 -13.549 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.992 -9.952 -12.999 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.336 -9.042 -11.653 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.131 -8.925 -13.629 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.453 -7.338 -13.166 1.00 0.00 H new ATOM 430 N VAL B 8 2.804 -5.774 -12.731 1.00 0.00 N ATOM 431 CA VAL B 8 2.586 -4.434 -12.247 1.00 0.00 C ATOM 432 C VAL B 8 1.117 -4.069 -12.376 1.00 0.00 C ATOM 433 O VAL B 8 0.602 -3.859 -13.471 1.00 0.00 O ATOM 434 CB VAL B 8 3.473 -3.420 -12.991 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.261 -2.017 -12.447 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.936 -3.832 -12.877 1.00 0.00 C ATOM 0 H VAL B 8 2.940 -5.843 -13.739 1.00 0.00 H new ATOM 0 HA VAL B 8 2.865 -4.398 -11.194 1.00 0.00 H new ATOM 0 HB VAL B 8 3.192 -3.413 -14.044 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.898 -1.317 -12.988 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.217 -1.731 -12.575 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.516 -1.995 -11.387 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.559 -3.111 -13.405 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.225 -3.861 -11.826 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.071 -4.820 -13.317 1.00 0.00 H new ATOM 446 N LEU B 9 0.456 -3.993 -11.237 1.00 0.00 N ATOM 447 CA LEU B 9 -0.956 -3.687 -11.187 1.00 0.00 C ATOM 448 C LEU B 9 -1.150 -2.202 -10.995 1.00 0.00 C ATOM 449 O LEU B 9 -2.024 -1.590 -11.606 1.00 0.00 O ATOM 450 CB LEU B 9 -1.622 -4.448 -10.036 1.00 0.00 C ATOM 451 CG LEU B 9 -1.792 -5.953 -10.243 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.264 -6.610 -8.959 1.00 0.00 C ATOM 453 CD2 LEU B 9 -2.777 -6.231 -11.366 1.00 0.00 C ATOM 0 H LEU B 9 0.884 -4.142 -10.323 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.416 -3.993 -12.126 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.034 -4.289 -9.132 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.605 -4.012 -9.858 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.825 -6.373 -10.519 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.381 -7.682 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.530 -6.440 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.221 -6.181 -8.661 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.884 -7.308 -11.498 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.745 -5.798 -11.116 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.409 -5.787 -12.291 1.00 0.00 H new ATOM 465 N LEU B 10 -0.329 -1.622 -10.137 1.00 0.00 N ATOM 466 CA LEU B 10 -0.424 -0.208 -9.870 1.00 0.00 C ATOM 467 C LEU B 10 0.924 0.386 -9.518 1.00 0.00 C ATOM 468 O LEU B 10 1.780 -0.277 -8.928 1.00 0.00 O ATOM 469 CB LEU B 10 -1.360 0.038 -8.698 1.00 0.00 C ATOM 470 CG LEU B 10 -2.130 1.362 -8.747 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.131 1.361 -9.892 1.00 0.00 C ATOM 472 CD2 LEU B 10 -2.835 1.621 -7.429 1.00 0.00 C ATOM 0 H LEU B 10 0.403 -2.108 -9.620 1.00 0.00 H new ATOM 0 HA LEU B 10 -0.801 0.265 -10.777 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.078 -0.780 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.779 0.008 -7.776 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.412 2.164 -8.918 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.666 2.310 -9.908 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.604 1.226 -10.836 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -3.841 0.546 -9.753 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.376 2.566 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.537 0.812 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.099 1.671 -6.626 1.00 0.00 H new ATOM 484 N ILE B 11 1.099 1.634 -9.898 1.00 0.00 N ATOM 485 CA ILE B 11 2.300 2.386 -9.588 1.00 0.00 C ATOM 486 C ILE B 11 1.902 3.733 -9.011 1.00 0.00 C ATOM 487 O ILE B 11 1.420 4.612 -9.725 1.00 0.00 O ATOM 488 CB ILE B 11 3.204 2.604 -10.823 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.732 1.267 -11.345 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.362 3.536 -10.477 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.650 1.397 -12.544 1.00 0.00 C ATOM 0 H ILE B 11 0.409 2.160 -10.434 1.00 0.00 H new ATOM 0 HA ILE B 11 2.876 1.805 -8.867 1.00 0.00 H new ATOM 0 HB ILE B 11 2.608 3.068 -11.609 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.268 0.760 -10.542 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.887 0.633 -11.613 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.989 3.679 -11.357 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.969 4.499 -10.151 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.956 3.096 -9.676 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.983 0.407 -12.856 1.00 0.00 H new ATOM 0 HD12 ILE B 11 4.113 1.874 -13.364 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.515 2.003 -12.276 1.00 0.00 H new ATOM 503 N VAL B 12 2.094 3.878 -7.716 1.00 0.00 N ATOM 504 CA VAL B 12 1.770 5.109 -7.026 1.00 0.00 C ATOM 505 C VAL B 12 3.047 5.903 -6.815 1.00 0.00 C ATOM 506 O VAL B 12 4.107 5.321 -6.619 1.00 0.00 O ATOM 507 CB VAL B 12 1.091 4.834 -5.670 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.469 6.101 -5.113 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.043 3.740 -5.806 1.00 0.00 C ATOM 0 H VAL B 12 2.477 3.149 -7.114 1.00 0.00 H new ATOM 0 HA VAL B 12 1.068 5.678 -7.636 1.00 0.00 H new ATOM 0 HB VAL B 12 1.855 4.493 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.005 5.883 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.244 6.855 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.279 6.476 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.424 3.561 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.716 4.051 -6.523 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.518 2.823 -6.155 1.00 0.00 H new ATOM 519 N LYS B 13 2.949 7.218 -6.851 1.00 0.00 N ATOM 520 CA LYS B 13 4.126 8.069 -6.697 1.00 0.00 C ATOM 521 C LYS B 13 4.026 8.945 -5.462 1.00 0.00 C ATOM 522 O LYS B 13 2.941 9.115 -4.901 1.00 0.00 O ATOM 523 CB LYS B 13 4.315 8.939 -7.936 1.00 0.00 C ATOM 524 CG LYS B 13 4.607 8.139 -9.192 1.00 0.00 C ATOM 525 CD LYS B 13 3.590 8.410 -10.291 1.00 0.00 C ATOM 526 CE LYS B 13 2.332 7.563 -10.130 1.00 0.00 C ATOM 527 NZ LYS B 13 1.275 8.257 -9.343 1.00 0.00 N ATOM 0 H LYS B 13 2.073 7.724 -6.985 1.00 0.00 H new ATOM 0 HA LYS B 13 4.991 7.416 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.416 9.535 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.133 9.637 -7.760 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.606 8.384 -9.554 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.607 7.076 -8.952 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.319 9.466 -10.281 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.042 8.206 -11.261 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.940 7.310 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.590 6.625 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 0.630 7.553 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 1.716 8.810 -8.581 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.739 8.894 -9.967 1.00 0.00 H new ATOM 541 N LYS B 14 5.165 9.523 -5.077 1.00 0.00 N ATOM 542 CA LYS B 14 5.264 10.375 -3.902 1.00 0.00 C ATOM 543 C LYS B 14 4.636 9.713 -2.679 1.00 0.00 C ATOM 544 O LYS B 14 3.920 10.347 -1.900 1.00 0.00 O ATOM 545 CB LYS B 14 4.639 11.736 -4.196 1.00 0.00 C ATOM 546 CG LYS B 14 5.636 12.750 -4.745 1.00 0.00 C ATOM 547 CD LYS B 14 4.947 13.981 -5.321 1.00 0.00 C ATOM 548 CE LYS B 14 4.476 14.941 -4.235 1.00 0.00 C ATOM 549 NZ LYS B 14 3.635 16.039 -4.796 1.00 0.00 N ATOM 0 H LYS B 14 6.046 9.409 -5.578 1.00 0.00 H new ATOM 0 HA LYS B 14 6.317 10.526 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.828 11.609 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.196 12.130 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.316 13.055 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.242 12.279 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.634 14.500 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.093 13.669 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.905 14.392 -3.486 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.341 15.368 -3.727 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.333 16.672 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.188 16.579 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.797 15.633 -5.259 1.00 0.00 H new ATOM 563 N VAL B 15 4.909 8.427 -2.525 1.00 0.00 N ATOM 564 CA VAL B 15 4.405 7.664 -1.397 1.00 0.00 C ATOM 565 C VAL B 15 5.490 7.554 -0.348 1.00 0.00 C ATOM 566 O VAL B 15 6.498 6.891 -0.556 1.00 0.00 O ATOM 567 CB VAL B 15 3.936 6.251 -1.808 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.321 5.524 -0.619 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.943 6.353 -2.946 1.00 0.00 C ATOM 0 H VAL B 15 5.482 7.887 -3.174 1.00 0.00 H new ATOM 0 HA VAL B 15 3.538 8.191 -0.998 1.00 0.00 H new ATOM 0 HB VAL B 15 4.798 5.675 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.997 4.530 -0.928 1.00 0.00 H new ATOM 0 HG12 VAL B 15 4.062 5.433 0.175 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.463 6.088 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.615 5.354 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.082 6.940 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.416 6.838 -3.799 1.00 0.00 H new ATOM 579 N ARG B 16 5.285 8.214 0.771 1.00 0.00 N ATOM 580 CA ARG B 16 6.254 8.213 1.836 1.00 0.00 C ATOM 581 C ARG B 16 6.008 7.070 2.797 1.00 0.00 C ATOM 582 O ARG B 16 4.873 6.789 3.182 1.00 0.00 O ATOM 583 CB ARG B 16 6.221 9.540 2.592 1.00 0.00 C ATOM 584 CG ARG B 16 6.273 10.753 1.682 1.00 0.00 C ATOM 585 CD ARG B 16 6.588 12.021 2.456 1.00 0.00 C ATOM 586 NE ARG B 16 7.954 12.004 2.980 1.00 0.00 N ATOM 587 CZ ARG B 16 9.008 12.473 2.310 1.00 0.00 C ATOM 588 NH1 ARG B 16 8.833 13.120 1.166 1.00 0.00 N ATOM 589 NH2 ARG B 16 10.237 12.319 2.791 1.00 0.00 N ATOM 0 H ARG B 16 4.447 8.762 0.964 1.00 0.00 H new ATOM 0 HA ARG B 16 7.239 8.082 1.388 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.313 9.585 3.193 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.063 9.577 3.283 1.00 0.00 H new ATOM 0 HG2 ARG B 16 7.029 10.599 0.912 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.317 10.866 1.171 1.00 0.00 H new ATOM 0 HD2 ARG B 16 6.457 12.887 1.807 1.00 0.00 H new ATOM 0 HD3 ARG B 16 5.883 12.130 3.280 1.00 0.00 H new ATOM 0 HE ARG B 16 8.109 11.612 3.909 1.00 0.00 H new ATOM 0 HH11 ARG B 16 7.892 13.259 0.798 1.00 0.00 H new ATOM 0 HH12 ARG B 16 9.639 13.478 0.654 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.381 11.839 3.679 1.00 0.00 H new ATOM 0 HH22 ARG B 16 11.037 12.681 2.272 1.00 0.00 H new ATOM 603 N GLN B 17 7.075 6.391 3.139 1.00 0.00 N ATOM 604 CA GLN B 17 7.017 5.304 4.084 1.00 0.00 C ATOM 605 C GLN B 17 8.068 5.563 5.142 1.00 0.00 C ATOM 606 O GLN B 17 9.265 5.403 4.885 1.00 0.00 O ATOM 607 CB GLN B 17 7.257 3.959 3.391 1.00 0.00 C ATOM 608 CG GLN B 17 6.579 2.782 4.082 1.00 0.00 C ATOM 609 CD GLN B 17 7.294 2.332 5.346 1.00 0.00 C ATOM 610 OE1 GLN B 17 8.618 2.393 5.340 1.00 0.00 O flip ATOM 611 NE2 GLN B 17 6.663 1.922 6.316 1.00 0.00 N flip ATOM 0 H GLN B 17 8.008 6.576 2.770 1.00 0.00 H new ATOM 0 HA GLN B 17 6.027 5.252 4.538 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.898 4.021 2.364 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.330 3.772 3.343 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.554 3.057 4.331 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.524 1.944 3.387 1.00 0.00 H new ATOM 0 HE21 GLN B 17 5.644 1.889 6.285 1.00 0.00 H new ATOM 0 HE22 GLN B 17 7.158 1.614 7.153 1.00 0.00 H new ATOM 620 N LYS B 18 7.615 6.000 6.309 1.00 0.00 N ATOM 621 CA LYS B 18 8.502 6.308 7.422 1.00 0.00 C ATOM 622 C LYS B 18 9.394 7.507 7.077 1.00 0.00 C ATOM 623 O LYS B 18 10.625 7.431 7.154 1.00 0.00 O ATOM 624 CB LYS B 18 9.346 5.084 7.795 1.00 0.00 C ATOM 625 CG LYS B 18 10.039 5.216 9.138 1.00 0.00 C ATOM 626 CD LYS B 18 11.525 4.929 9.033 1.00 0.00 C ATOM 627 CE LYS B 18 12.325 5.891 9.892 1.00 0.00 C ATOM 628 NZ LYS B 18 12.322 7.271 9.335 1.00 0.00 N ATOM 0 H LYS B 18 6.626 6.150 6.510 1.00 0.00 H new ATOM 0 HA LYS B 18 7.895 6.573 8.288 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.706 4.202 7.810 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.097 4.920 7.022 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.889 6.223 9.527 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.585 4.528 9.851 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.724 3.904 9.346 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.843 5.013 7.994 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.911 5.906 10.900 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.352 5.535 9.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.250 7.477 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 11.585 7.349 8.606 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.129 7.952 10.097 1.00 0.00 H new ATOM 642 N LYS B 19 8.748 8.609 6.694 1.00 0.00 N ATOM 643 CA LYS B 19 9.423 9.856 6.337 1.00 0.00 C ATOM 644 C LYS B 19 10.334 9.687 5.121 1.00 0.00 C ATOM 645 O LYS B 19 11.223 10.504 4.887 1.00 0.00 O ATOM 646 CB LYS B 19 10.223 10.391 7.535 1.00 0.00 C ATOM 647 CG LYS B 19 9.809 11.788 7.991 1.00 0.00 C ATOM 648 CD LYS B 19 8.384 11.820 8.532 1.00 0.00 C ATOM 649 CE LYS B 19 8.281 11.192 9.918 1.00 0.00 C ATOM 650 NZ LYS B 19 6.871 10.882 10.282 1.00 0.00 N ATOM 0 H LYS B 19 7.732 8.661 6.622 1.00 0.00 H new ATOM 0 HA LYS B 19 8.653 10.579 6.069 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.110 9.700 8.370 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.281 10.405 7.274 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.496 12.135 8.763 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.893 12.481 7.154 1.00 0.00 H new ATOM 0 HD2 LYS B 19 8.037 12.852 8.576 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.724 11.290 7.845 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.873 10.277 9.947 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.706 11.871 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.843 10.457 11.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.311 11.758 10.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.473 10.214 9.591 1.00 0.00 H new ATOM 664 N GLN B 20 10.080 8.657 4.323 1.00 0.00 N ATOM 665 CA GLN B 20 10.891 8.389 3.145 1.00 0.00 C ATOM 666 C GLN B 20 10.030 8.443 1.897 1.00 0.00 C ATOM 667 O GLN B 20 9.096 7.659 1.753 1.00 0.00 O ATOM 668 CB GLN B 20 11.560 7.020 3.262 1.00 0.00 C ATOM 669 CG GLN B 20 12.675 6.978 4.294 1.00 0.00 C ATOM 670 CD GLN B 20 12.981 5.575 4.788 1.00 0.00 C ATOM 671 OE1 GLN B 20 14.125 5.250 5.094 1.00 0.00 O ATOM 672 NE2 GLN B 20 11.960 4.737 4.898 1.00 0.00 N ATOM 0 H GLN B 20 9.319 7.995 4.471 1.00 0.00 H new ATOM 0 HA GLN B 20 11.666 9.152 3.073 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.806 6.277 3.522 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.964 6.737 2.290 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.578 7.409 3.861 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.399 7.603 5.143 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.022 5.039 4.635 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.112 3.790 5.246 1.00 0.00 H new ATOM 681 N ASP B 21 10.342 9.369 1.008 1.00 0.00 N ATOM 682 CA ASP B 21 9.588 9.531 -0.226 1.00 0.00 C ATOM 683 C ASP B 21 9.934 8.454 -1.235 1.00 0.00 C ATOM 684 O ASP B 21 11.100 8.196 -1.534 1.00 0.00 O ATOM 685 CB ASP B 21 9.790 10.930 -0.825 1.00 0.00 C ATOM 686 CG ASP B 21 11.135 11.549 -0.480 1.00 0.00 C ATOM 687 OD1 ASP B 21 12.163 10.859 -0.584 1.00 0.00 O ATOM 688 OD2 ASP B 21 11.146 12.728 -0.053 1.00 0.00 O ATOM 0 H ASP B 21 11.116 10.024 1.117 1.00 0.00 H new ATOM 0 HA ASP B 21 8.532 9.423 0.024 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.694 10.870 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.995 11.586 -0.471 1.00 0.00 H new ATOM 693 N GLY B 22 8.899 7.803 -1.728 1.00 0.00 N ATOM 694 CA GLY B 22 9.074 6.762 -2.693 1.00 0.00 C ATOM 695 C GLY B 22 7.862 6.551 -3.555 1.00 0.00 C ATOM 696 O GLY B 22 7.084 7.469 -3.800 1.00 0.00 O ATOM 0 H GLY B 22 7.929 7.985 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.927 7.002 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.312 5.832 -2.177 1.00 0.00 H new ATOM 700 N ALA B 23 7.687 5.320 -3.968 1.00 0.00 N ATOM 701 CA ALA B 23 6.603 4.942 -4.831 1.00 0.00 C ATOM 702 C ALA B 23 6.010 3.629 -4.357 1.00 0.00 C ATOM 703 O ALA B 23 6.739 2.731 -3.927 1.00 0.00 O ATOM 704 CB ALA B 23 7.120 4.823 -6.248 1.00 0.00 C ATOM 0 H ALA B 23 8.301 4.547 -3.710 1.00 0.00 H new ATOM 0 HA ALA B 23 5.819 5.699 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.303 4.536 -6.910 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.527 5.782 -6.568 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.902 4.065 -6.287 1.00 0.00 H new ATOM 710 N LEU B 24 4.700 3.510 -4.439 1.00 0.00 N ATOM 711 CA LEU B 24 4.029 2.307 -3.992 1.00 0.00 C ATOM 712 C LEU B 24 3.675 1.457 -5.207 1.00 0.00 C ATOM 713 O LEU B 24 2.916 1.881 -6.078 1.00 0.00 O ATOM 714 CB LEU B 24 2.774 2.674 -3.191 1.00 0.00 C ATOM 715 CG LEU B 24 2.382 1.710 -2.065 1.00 0.00 C ATOM 716 CD1 LEU B 24 0.983 2.021 -1.565 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.475 0.265 -2.509 1.00 0.00 C ATOM 0 H LEU B 24 4.080 4.230 -4.810 1.00 0.00 H new ATOM 0 HA LEU B 24 4.687 1.733 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.921 3.664 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.936 2.750 -3.884 1.00 0.00 H new ATOM 0 HG LEU B 24 3.090 1.851 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.720 1.328 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.951 3.042 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.272 1.917 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.190 -0.388 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.804 0.099 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.498 0.042 -2.811 1.00 0.00 H new ATOM 729 N TYR B 25 4.239 0.269 -5.260 1.00 0.00 N ATOM 730 CA TYR B 25 4.009 -0.644 -6.374 1.00 0.00 C ATOM 731 C TYR B 25 3.088 -1.795 -5.976 1.00 0.00 C ATOM 732 O TYR B 25 3.279 -2.430 -4.940 1.00 0.00 O ATOM 733 CB TYR B 25 5.340 -1.215 -6.876 1.00 0.00 C ATOM 734 CG TYR B 25 6.274 -0.191 -7.485 1.00 0.00 C ATOM 735 CD1 TYR B 25 7.135 0.557 -6.691 1.00 0.00 C ATOM 736 CD2 TYR B 25 6.305 0.015 -8.857 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.997 1.482 -7.247 1.00 0.00 C ATOM 738 CE2 TYR B 25 7.163 0.940 -9.422 1.00 0.00 C ATOM 739 CZ TYR B 25 8.008 1.670 -8.612 1.00 0.00 C ATOM 740 OH TYR B 25 8.867 2.588 -9.173 1.00 0.00 O ATOM 0 H TYR B 25 4.866 -0.095 -4.542 1.00 0.00 H new ATOM 0 HA TYR B 25 3.527 -0.074 -7.168 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.848 -1.702 -6.044 1.00 0.00 H new ATOM 0 HB3 TYR B 25 5.133 -1.986 -7.618 1.00 0.00 H new ATOM 0 HD1 TYR B 25 7.130 0.413 -5.621 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.647 -0.557 -9.494 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.659 2.055 -6.615 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.172 1.090 -10.491 1.00 0.00 H new ATOM 0 HH TYR B 25 8.748 2.595 -10.146 1.00 0.00 H new ATOM 750 N LEU B 26 2.083 -2.053 -6.802 1.00 0.00 N ATOM 751 CA LEU B 26 1.149 -3.145 -6.555 1.00 0.00 C ATOM 752 C LEU B 26 1.417 -4.271 -7.536 1.00 0.00 C ATOM 753 O LEU B 26 1.437 -4.040 -8.746 1.00 0.00 O ATOM 754 CB LEU B 26 -0.305 -2.691 -6.713 1.00 0.00 C ATOM 755 CG LEU B 26 -0.767 -1.583 -5.768 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.282 -1.481 -5.767 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.267 -1.831 -4.370 1.00 0.00 C ATOM 0 H LEU B 26 1.893 -1.520 -7.651 1.00 0.00 H new ATOM 0 HA LEU B 26 1.297 -3.483 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.449 -2.350 -7.738 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.953 -3.556 -6.571 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.351 -0.641 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.593 -0.687 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.632 -1.255 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.710 -2.428 -5.438 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.608 -1.030 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.653 -2.784 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.823 -1.859 -4.373 1.00 0.00 H new ATOM 769 N MET B 27 1.634 -5.476 -7.029 1.00 0.00 N ATOM 770 CA MET B 27 1.886 -6.619 -7.892 1.00 0.00 C ATOM 771 C MET B 27 0.831 -7.694 -7.687 1.00 0.00 C ATOM 772 O MET B 27 0.118 -7.695 -6.686 1.00 0.00 O ATOM 773 CB MET B 27 3.271 -7.210 -7.656 1.00 0.00 C ATOM 774 CG MET B 27 4.417 -6.282 -8.019 1.00 0.00 C ATOM 775 SD MET B 27 4.973 -5.293 -6.620 1.00 0.00 S ATOM 776 CE MET B 27 6.555 -4.725 -7.235 1.00 0.00 C ATOM 0 H MET B 27 1.641 -5.686 -6.031 1.00 0.00 H new ATOM 0 HA MET B 27 1.838 -6.259 -8.920 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.361 -7.486 -6.605 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.365 -8.128 -8.236 1.00 0.00 H new ATOM 0 HG2 MET B 27 5.252 -6.872 -8.398 1.00 0.00 H new ATOM 0 HG3 MET B 27 4.103 -5.620 -8.826 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.348 -5.358 -6.837 1.00 0.00 H new ATOM 0 HE2 MET B 27 6.562 -4.776 -8.324 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.720 -3.695 -6.919 1.00 0.00 H new ATOM 786 N ALA B 28 0.792 -8.629 -8.625 1.00 0.00 N ATOM 787 CA ALA B 28 -0.185 -9.719 -8.645 1.00 0.00 C ATOM 788 C ALA B 28 -0.409 -10.405 -7.298 1.00 0.00 C ATOM 789 O ALA B 28 -1.551 -10.534 -6.857 1.00 0.00 O ATOM 790 CB ALA B 28 0.239 -10.755 -9.666 1.00 0.00 C ATOM 0 H ALA B 28 1.446 -8.656 -9.407 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.137 -9.258 -8.908 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.487 -11.568 -9.683 1.00 0.00 H new ATOM 0 HB2 ALA B 28 0.290 -10.294 -10.652 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.219 -11.150 -9.398 1.00 0.00 H new ATOM 796 N GLU B 29 0.652 -10.846 -6.641 1.00 0.00 N ATOM 797 CA GLU B 29 0.491 -11.555 -5.379 1.00 0.00 C ATOM 798 C GLU B 29 1.095 -10.814 -4.194 1.00 0.00 C ATOM 799 O GLU B 29 1.085 -11.337 -3.074 1.00 0.00 O ATOM 800 CB GLU B 29 1.102 -12.963 -5.468 1.00 0.00 C ATOM 801 CG GLU B 29 1.863 -13.240 -6.759 1.00 0.00 C ATOM 802 CD GLU B 29 3.270 -12.674 -6.749 1.00 0.00 C ATOM 803 OE1 GLU B 29 3.446 -11.523 -6.305 1.00 0.00 O ATOM 804 OE2 GLU B 29 4.198 -13.378 -7.201 1.00 0.00 O ATOM 0 H GLU B 29 1.617 -10.730 -6.952 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.583 -11.623 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.778 -13.106 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.304 -13.699 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.911 -14.317 -6.922 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.312 -12.815 -7.598 1.00 0.00 H new ATOM 811 N ARG B 30 1.577 -9.595 -4.396 1.00 0.00 N ATOM 812 CA ARG B 30 2.179 -8.875 -3.276 1.00 0.00 C ATOM 813 C ARG B 30 2.260 -7.373 -3.519 1.00 0.00 C ATOM 814 O ARG B 30 2.174 -6.903 -4.651 1.00 0.00 O ATOM 815 CB ARG B 30 3.578 -9.451 -2.947 1.00 0.00 C ATOM 816 CG ARG B 30 4.754 -8.801 -3.670 1.00 0.00 C ATOM 817 CD ARG B 30 4.591 -8.821 -5.176 1.00 0.00 C ATOM 818 NE ARG B 30 5.484 -9.761 -5.839 1.00 0.00 N ATOM 819 CZ ARG B 30 6.551 -9.386 -6.535 1.00 0.00 C ATOM 820 NH1 ARG B 30 6.878 -8.101 -6.596 1.00 0.00 N ATOM 821 NH2 ARG B 30 7.290 -10.280 -7.173 1.00 0.00 N ATOM 0 H ARG B 30 1.567 -9.097 -5.286 1.00 0.00 H new ATOM 0 HA ARG B 30 1.523 -9.021 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.743 -9.362 -1.873 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.576 -10.515 -3.182 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.859 -7.770 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG B 30 5.674 -9.320 -3.400 1.00 0.00 H new ATOM 0 HD2 ARG B 30 3.560 -9.077 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.772 -7.820 -5.568 1.00 0.00 H new ATOM 0 HE ARG B 30 5.280 -10.758 -5.765 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.311 -7.407 -6.110 1.00 0.00 H new ATOM 0 HH12 ARG B 30 7.697 -7.808 -7.129 1.00 0.00 H new ATOM 0 HH21 ARG B 30 7.042 -11.269 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG B 30 8.107 -9.980 -7.704 1.00 0.00 H new ATOM 835 N ILE B 31 2.416 -6.638 -2.435 1.00 0.00 N ATOM 836 CA ILE B 31 2.540 -5.195 -2.483 1.00 0.00 C ATOM 837 C ILE B 31 3.987 -4.830 -2.165 1.00 0.00 C ATOM 838 O ILE B 31 4.602 -5.442 -1.292 1.00 0.00 O ATOM 839 CB ILE B 31 1.567 -4.514 -1.486 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.688 -2.991 -1.555 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.811 -5.004 -0.063 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.611 -2.265 -0.775 1.00 0.00 C ATOM 0 H ILE B 31 2.460 -7.027 -1.493 1.00 0.00 H new ATOM 0 HA ILE B 31 2.275 -4.838 -3.478 1.00 0.00 H new ATOM 0 HB ILE B 31 0.552 -4.790 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.665 -2.694 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.644 -2.678 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.115 -4.511 0.616 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.658 -6.082 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.834 -4.770 0.232 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.758 -1.189 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.368 -2.533 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.668 -2.550 0.276 1.00 0.00 H new ATOM 854 N ALA B 32 4.546 -3.872 -2.883 1.00 0.00 N ATOM 855 CA ALA B 32 5.927 -3.488 -2.652 1.00 0.00 C ATOM 856 C ALA B 32 6.110 -1.981 -2.668 1.00 0.00 C ATOM 857 O ALA B 32 5.277 -1.244 -3.190 1.00 0.00 O ATOM 858 CB ALA B 32 6.830 -4.139 -3.685 1.00 0.00 C ATOM 0 H ALA B 32 4.072 -3.352 -3.622 1.00 0.00 H new ATOM 0 HA ALA B 32 6.203 -3.838 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.863 -3.844 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.744 -5.223 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.532 -3.818 -4.683 1.00 0.00 H new ATOM 864 N TRP B 33 7.213 -1.529 -2.098 1.00 0.00 N ATOM 865 CA TRP B 33 7.515 -0.115 -2.044 1.00 0.00 C ATOM 866 C TRP B 33 8.998 0.124 -2.340 1.00 0.00 C ATOM 867 O TRP B 33 9.856 -0.678 -1.961 1.00 0.00 O ATOM 868 CB TRP B 33 7.122 0.461 -0.679 1.00 0.00 C ATOM 869 CG TRP B 33 7.259 1.944 -0.617 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.308 2.874 -0.921 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.426 2.672 -0.241 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.821 4.134 -0.766 1.00 0.00 N ATOM 873 CE2 TRP B 33 8.117 4.034 -0.348 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.702 2.300 0.173 1.00 0.00 C ATOM 875 CZ2 TRP B 33 9.038 5.025 -0.062 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.618 3.286 0.462 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.283 4.640 0.341 1.00 0.00 C ATOM 0 H TRP B 33 7.916 -2.127 -1.664 1.00 0.00 H new ATOM 0 HA TRP B 33 6.932 0.400 -2.808 1.00 0.00 H new ATOM 0 HB2 TRP B 33 6.091 0.186 -0.457 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.745 0.010 0.093 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.300 2.650 -1.237 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.317 5.005 -0.935 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.968 1.257 0.266 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.780 6.070 -0.155 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.610 3.011 0.787 1.00 0.00 H new ATOM 0 HH2 TRP B 33 11.023 5.392 0.571 1.00 0.00 H new ATOM 888 N ALA B 34 9.275 1.223 -3.029 1.00 0.00 N ATOM 889 CA ALA B 34 10.624 1.603 -3.425 1.00 0.00 C ATOM 890 C ALA B 34 10.752 3.117 -3.407 1.00 0.00 C ATOM 891 O ALA B 34 9.837 3.797 -3.857 1.00 0.00 O ATOM 892 CB ALA B 34 10.951 1.059 -4.808 1.00 0.00 C ATOM 0 H ALA B 34 8.560 1.884 -3.332 1.00 0.00 H new ATOM 0 HA ALA B 34 11.334 1.175 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.963 1.354 -5.085 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.880 -0.029 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.244 1.461 -5.534 1.00 0.00 H new ATOM 898 N PRO B 35 11.843 3.674 -2.847 1.00 0.00 N ATOM 899 CA PRO B 35 12.043 5.129 -2.792 1.00 0.00 C ATOM 900 C PRO B 35 11.878 5.793 -4.164 1.00 0.00 C ATOM 901 O PRO B 35 12.051 5.149 -5.204 1.00 0.00 O ATOM 902 CB PRO B 35 13.471 5.297 -2.272 1.00 0.00 C ATOM 903 CG PRO B 35 14.096 3.940 -2.362 1.00 0.00 C ATOM 904 CD PRO B 35 12.971 2.949 -2.253 1.00 0.00 C ATOM 0 HA PRO B 35 11.301 5.610 -2.155 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.023 6.023 -2.870 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.473 5.662 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.630 3.820 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.823 3.793 -1.563 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.189 2.028 -2.793 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.774 2.672 -1.217 1.00 0.00 H new ATOM 992 N PHE B 41 12.936 -2.309 -5.085 1.00 0.00 N ATOM 993 CA PHE B 41 11.947 -2.339 -4.020 1.00 0.00 C ATOM 994 C PHE B 41 12.607 -2.730 -2.706 1.00 0.00 C ATOM 995 O PHE B 41 13.360 -3.705 -2.643 1.00 0.00 O ATOM 996 CB PHE B 41 10.825 -3.325 -4.360 1.00 0.00 C ATOM 997 CG PHE B 41 10.427 -3.306 -5.810 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.662 -2.269 -6.318 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.824 -4.323 -6.665 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.300 -2.247 -7.653 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.466 -4.305 -7.998 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.703 -3.266 -8.493 1.00 0.00 C ATOM 0 HA PHE B 41 11.515 -1.343 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.144 -4.332 -4.092 1.00 0.00 H new ATOM 0 HB3 PHE B 41 9.952 -3.094 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.345 -1.469 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.420 -5.139 -6.283 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.703 -1.434 -8.038 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.782 -5.103 -8.653 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.422 -3.250 -9.536 1.00 0.00 H new ATOM 1012 N THR B 42 12.342 -1.959 -1.669 1.00 0.00 N ATOM 1013 CA THR B 42 12.909 -2.217 -0.358 1.00 0.00 C ATOM 1014 C THR B 42 11.921 -2.973 0.517 1.00 0.00 C ATOM 1015 O THR B 42 12.305 -3.735 1.403 1.00 0.00 O ATOM 1016 CB THR B 42 13.290 -0.898 0.334 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.321 0.111 0.017 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.666 -0.435 -0.108 1.00 0.00 C ATOM 0 H THR B 42 11.733 -1.142 -1.710 1.00 0.00 H new ATOM 0 HA THR B 42 13.803 -2.825 -0.496 1.00 0.00 H new ATOM 0 HB THR B 42 13.309 -1.067 1.411 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.565 0.950 0.460 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.914 0.500 0.395 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.405 -1.193 0.150 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.668 -0.279 -1.187 1.00 0.00 H new ATOM 1026 N ILE B 43 10.646 -2.760 0.247 1.00 0.00 N ATOM 1027 CA ILE B 43 9.582 -3.392 1.004 1.00 0.00 C ATOM 1028 C ILE B 43 8.706 -4.241 0.088 1.00 0.00 C ATOM 1029 O ILE B 43 8.362 -3.815 -1.009 1.00 0.00 O ATOM 1030 CB ILE B 43 8.733 -2.312 1.718 1.00 0.00 C ATOM 1031 CG1 ILE B 43 9.427 -1.863 3.005 1.00 0.00 C ATOM 1032 CG2 ILE B 43 7.323 -2.811 2.015 1.00 0.00 C ATOM 1033 CD1 ILE B 43 8.895 -0.559 3.558 1.00 0.00 C ATOM 0 H ILE B 43 10.320 -2.147 -0.500 1.00 0.00 H new ATOM 0 HA ILE B 43 10.024 -4.047 1.755 1.00 0.00 H new ATOM 0 HB ILE B 43 8.643 -1.458 1.047 1.00 0.00 H new ATOM 0 HG12 ILE B 43 9.313 -2.641 3.760 1.00 0.00 H new ATOM 0 HG13 ILE B 43 10.495 -1.758 2.814 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.757 -2.026 2.516 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.827 -3.076 1.081 1.00 0.00 H new ATOM 0 HG23 ILE B 43 7.376 -3.688 2.660 1.00 0.00 H new ATOM 0 HD11 ILE B 43 9.434 -0.304 4.470 1.00 0.00 H new ATOM 0 HD12 ILE B 43 9.034 0.232 2.821 1.00 0.00 H new ATOM 0 HD13 ILE B 43 7.833 -0.665 3.781 1.00 0.00 H new ATOM 1045 N SER B 44 8.389 -5.452 0.531 1.00 0.00 N ATOM 1046 CA SER B 44 7.548 -6.367 -0.224 1.00 0.00 C ATOM 1047 C SER B 44 6.736 -7.215 0.757 1.00 0.00 C ATOM 1048 O SER B 44 7.302 -7.797 1.683 1.00 0.00 O ATOM 1049 CB SER B 44 8.419 -7.262 -1.109 1.00 0.00 C ATOM 1050 OG SER B 44 7.650 -7.909 -2.109 1.00 0.00 O ATOM 0 H SER B 44 8.709 -5.825 1.425 1.00 0.00 H new ATOM 0 HA SER B 44 6.869 -5.805 -0.865 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.199 -6.663 -1.579 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.919 -8.009 -0.493 1.00 0.00 H new ATOM 0 HG SER B 44 8.235 -8.472 -2.658 1.00 0.00 H new ATOM 1056 N HIS B 45 5.420 -7.278 0.570 1.00 0.00 N ATOM 1057 CA HIS B 45 4.556 -8.042 1.458 1.00 0.00 C ATOM 1058 C HIS B 45 3.497 -8.745 0.640 1.00 0.00 C ATOM 1059 O HIS B 45 2.775 -8.107 -0.129 1.00 0.00 O ATOM 1060 CB HIS B 45 3.877 -7.134 2.499 1.00 0.00 C ATOM 1061 CG HIS B 45 4.822 -6.352 3.366 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.795 -6.922 4.155 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.927 -5.010 3.556 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.446 -5.937 4.786 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.959 -4.756 4.455 1.00 0.00 N ATOM 0 H HIS B 45 4.930 -6.807 -0.191 1.00 0.00 H new ATOM 0 HA HIS B 45 5.170 -8.769 1.990 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.222 -6.436 1.979 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.244 -7.749 3.139 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.308 -4.261 3.085 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.263 -6.089 5.476 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.274 -3.845 4.789 1.00 0.00 H new ATOM 1073 N MET B 46 3.408 -10.051 0.783 1.00 0.00 N ATOM 1074 CA MET B 46 2.421 -10.808 0.048 1.00 0.00 C ATOM 1075 C MET B 46 1.050 -10.559 0.641 1.00 0.00 C ATOM 1076 O MET B 46 0.909 -10.368 1.846 1.00 0.00 O ATOM 1077 CB MET B 46 2.746 -12.301 0.062 1.00 0.00 C ATOM 1078 CG MET B 46 3.622 -12.749 -1.097 1.00 0.00 C ATOM 1079 SD MET B 46 3.569 -14.531 -1.372 1.00 0.00 S ATOM 1080 CE MET B 46 1.862 -14.753 -1.870 1.00 0.00 C ATOM 0 H MET B 46 4.004 -10.606 1.398 1.00 0.00 H new ATOM 0 HA MET B 46 2.432 -10.478 -0.991 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.246 -12.546 0.999 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.814 -12.866 0.041 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.304 -12.237 -2.005 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.652 -12.447 -0.905 1.00 0.00 H new ATOM 0 HE1 MET B 46 1.825 -15.322 -2.799 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.323 -15.294 -1.092 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.398 -13.779 -2.022 1.00 0.00 H new ATOM 1090 N TYR B 47 0.047 -10.531 -0.215 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.335 -10.310 0.221 1.00 0.00 C ATOM 1092 C TYR B 47 -1.795 -11.372 1.226 1.00 0.00 C ATOM 1093 O TYR B 47 -2.836 -11.224 1.860 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.283 -10.288 -0.980 1.00 0.00 C ATOM 1095 CG TYR B 47 -1.967 -9.204 -1.984 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.670 -7.911 -1.571 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -1.965 -9.472 -3.344 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.379 -6.920 -2.484 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.676 -8.485 -4.263 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.384 -7.210 -3.828 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.089 -6.227 -4.743 1.00 0.00 O ATOM 0 H TYR B 47 0.155 -10.658 -1.221 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.362 -9.341 0.719 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.245 -11.256 -1.480 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.304 -10.154 -0.623 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.667 -7.678 -0.516 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.193 -10.469 -3.689 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.148 -5.921 -2.145 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.678 -8.710 -5.319 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.823 -6.639 -5.591 1.00 0.00 H new ATOM 1111 N ALA B 48 -1.024 -12.442 1.364 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.357 -13.502 2.303 1.00 0.00 C ATOM 1113 C ALA B 48 -0.750 -13.221 3.674 1.00 0.00 C ATOM 1114 O ALA B 48 -1.147 -13.827 4.672 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.888 -14.849 1.784 1.00 0.00 C ATOM 0 H ALA B 48 -0.164 -12.598 0.838 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.442 -13.531 2.406 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -1.148 -15.626 2.503 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.372 -15.060 0.830 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.193 -14.829 1.646 1.00 0.00 H new ATOM 1121 N ASP B 49 0.214 -12.304 3.714 1.00 0.00 N ATOM 1122 CA ASP B 49 0.877 -11.932 4.963 1.00 0.00 C ATOM 1123 C ASP B 49 0.166 -10.744 5.575 1.00 0.00 C ATOM 1124 O ASP B 49 0.459 -10.333 6.698 1.00 0.00 O ATOM 1125 CB ASP B 49 2.353 -11.572 4.742 1.00 0.00 C ATOM 1126 CG ASP B 49 3.051 -12.450 3.724 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.808 -13.676 3.721 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.841 -11.905 2.920 1.00 0.00 O ATOM 0 H ASP B 49 0.555 -11.803 2.893 1.00 0.00 H new ATOM 0 HA ASP B 49 0.834 -12.792 5.631 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.419 -10.533 4.418 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.881 -11.644 5.693 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.760 -10.185 4.818 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.540 -9.051 5.272 1.00 0.00 C ATOM 1135 C ILE B 50 -2.781 -9.550 5.996 1.00 0.00 C ATOM 1136 O ILE B 50 -3.660 -10.169 5.400 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.953 -8.151 4.100 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.723 -7.702 3.307 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.737 -6.946 4.601 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -1.061 -6.932 2.050 1.00 0.00 C ATOM 0 H ILE B 50 -0.991 -10.503 3.877 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.923 -8.460 5.950 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.597 -8.727 3.436 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.096 -7.080 3.946 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.134 -8.579 3.039 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -3.021 -6.320 3.755 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.634 -7.285 5.119 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.118 -6.369 5.288 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -0.141 -6.646 1.540 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -1.662 -7.558 1.391 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.624 -6.036 2.312 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.836 -9.277 7.282 1.00 0.00 N ATOM 1153 CA LYS B 51 -3.932 -9.710 8.125 1.00 0.00 C ATOM 1154 C LYS B 51 -5.116 -8.740 8.055 1.00 0.00 C ATOM 1155 O LYS B 51 -6.268 -9.173 8.042 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.394 -9.875 9.552 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.432 -9.852 10.658 1.00 0.00 C ATOM 1158 CD LYS B 51 -3.764 -9.677 12.014 1.00 0.00 C ATOM 1159 CE LYS B 51 -4.775 -9.683 13.148 1.00 0.00 C ATOM 1160 NZ LYS B 51 -5.310 -8.325 13.419 1.00 0.00 N ATOM 0 H LYS B 51 -2.119 -8.746 7.775 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.320 -10.666 7.774 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.852 -10.819 9.608 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.672 -9.081 9.741 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.137 -9.039 10.486 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.005 -10.779 10.646 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.040 -10.477 12.168 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.209 -8.739 12.027 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.597 -10.354 12.898 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -4.306 -10.075 14.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -6.124 -8.395 14.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -4.570 -7.742 13.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -5.612 -7.886 12.526 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.833 -7.441 7.984 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.895 -6.424 7.914 1.00 0.00 C ATOM 1176 C CYS B 52 -5.439 -5.214 7.092 1.00 0.00 C ATOM 1177 O CYS B 52 -4.241 -5.010 6.910 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.280 -5.937 9.323 1.00 0.00 C ATOM 1179 SG CYS B 52 -6.259 -7.202 10.618 1.00 0.00 S ATOM 0 H CYS B 52 -3.885 -7.063 7.973 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.757 -6.889 7.436 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.598 -5.136 9.610 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.279 -5.504 9.278 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.797 -6.724 11.700 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.383 -4.412 6.589 1.00 0.00 N ATOM 1186 CA GLN B 53 -6.034 -3.220 5.836 1.00 0.00 C ATOM 1187 C GLN B 53 -6.873 -2.048 6.318 1.00 0.00 C ATOM 1188 O GLN B 53 -8.090 -2.163 6.473 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.226 -3.428 4.329 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.676 -3.542 3.889 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.997 -2.643 2.714 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -7.319 -1.644 2.473 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -9.045 -2.981 1.985 1.00 0.00 N ATOM 0 H GLN B 53 -7.385 -4.571 6.693 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.979 -3.007 6.005 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.763 -2.596 3.798 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.696 -4.332 4.029 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.891 -4.576 3.620 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.327 -3.288 4.725 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.580 -3.817 2.219 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -9.319 -2.406 1.188 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.217 -0.941 6.609 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.916 0.245 7.042 1.00 0.00 C ATOM 1204 C LYS B 54 -6.656 1.365 6.066 1.00 0.00 C ATOM 1205 O LYS B 54 -5.684 1.330 5.309 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.455 0.773 8.392 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.915 -0.205 9.408 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.663 0.572 10.693 1.00 0.00 C ATOM 1209 CE LYS B 54 -6.106 -0.151 11.948 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.729 0.779 12.928 1.00 0.00 N ATOM 0 H LYS B 54 -5.203 -0.842 6.552 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.964 -0.048 7.107 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.682 1.519 8.208 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.297 1.292 8.849 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.626 -1.013 9.580 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.994 -0.663 9.049 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.598 0.792 10.770 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.182 1.529 10.635 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.818 -0.933 11.685 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.248 -0.642 12.407 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -7.096 0.237 13.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -6.017 1.460 13.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -7.511 1.291 12.472 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.492 2.384 6.118 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.305 3.552 5.251 1.00 0.00 C ATOM 1226 C ILE B 55 -7.543 4.858 6.028 1.00 0.00 C ATOM 1227 O ILE B 55 -8.585 5.039 6.659 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.168 3.497 3.957 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.604 3.952 4.187 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.175 2.093 3.374 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.390 4.046 2.900 1.00 0.00 C ATOM 0 H ILE B 55 -8.299 2.436 6.739 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.266 3.531 4.922 1.00 0.00 H new ATOM 0 HB ILE B 55 -7.707 4.190 3.253 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.100 3.255 4.862 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.600 4.924 4.679 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.784 2.077 2.470 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.155 1.795 3.130 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.591 1.398 4.104 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.406 4.374 3.118 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -9.912 4.764 2.233 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.419 3.068 2.419 1.00 0.00 H new ATOM 1243 N SER B 56 -6.525 5.727 6.055 1.00 0.00 N ATOM 1244 CA SER B 56 -6.629 7.007 6.753 1.00 0.00 C ATOM 1245 C SER B 56 -7.261 8.067 5.880 1.00 0.00 C ATOM 1246 O SER B 56 -6.726 8.400 4.807 1.00 0.00 O ATOM 1247 CB SER B 56 -5.271 7.503 7.211 1.00 0.00 C ATOM 1248 OG SER B 56 -4.965 7.050 8.514 1.00 0.00 O ATOM 0 H SER B 56 -5.625 5.565 5.603 1.00 0.00 H new ATOM 0 HA SER B 56 -7.262 6.831 7.622 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.504 7.160 6.516 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.255 8.593 7.191 1.00 0.00 H new ATOM 0 HG SER B 56 -4.715 6.103 8.481 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.358 8.652 6.394 1.00 0.00 N ATOM 1255 CA PRO B 57 -9.144 9.682 5.705 1.00 0.00 C ATOM 1256 C PRO B 57 -8.415 11.011 5.562 1.00 0.00 C ATOM 1257 O PRO B 57 -7.345 11.221 6.144 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.336 9.895 6.636 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.824 9.521 7.980 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.900 8.368 7.737 1.00 0.00 C ATOM 0 HA PRO B 57 -9.385 9.362 4.691 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.678 10.930 6.614 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.183 9.274 6.346 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.300 10.354 8.448 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.638 9.240 8.648 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.111 8.318 8.488 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.428 7.415 7.765 1.00 0.00 H new ATOM 1268 N GLU B 58 -9.019 11.912 4.806 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.473 13.240 4.613 1.00 0.00 C ATOM 1270 C GLU B 58 -8.814 14.096 5.827 1.00 0.00 C ATOM 1271 O GLU B 58 -9.983 14.352 6.111 1.00 0.00 O ATOM 1272 CB GLU B 58 -9.038 13.880 3.340 1.00 0.00 C ATOM 1273 CG GLU B 58 -8.509 13.270 2.048 1.00 0.00 C ATOM 1274 CD GLU B 58 -8.867 11.805 1.890 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -10.029 11.439 2.160 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -7.985 11.010 1.505 1.00 0.00 O ATOM 0 H GLU B 58 -9.896 11.743 4.313 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.391 13.170 4.502 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.124 13.791 3.353 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.806 14.945 3.348 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.907 13.828 1.200 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -7.425 13.378 2.020 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.790 14.517 6.546 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.991 15.325 7.731 1.00 0.00 C ATOM 1285 C GLY B 59 -6.678 15.841 8.264 1.00 0.00 C ATOM 1286 O GLY B 59 -6.593 16.955 8.774 1.00 0.00 O ATOM 0 H GLY B 59 -6.814 14.313 6.330 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.647 16.163 7.497 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.491 14.734 8.498 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.652 15.013 8.153 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.323 15.390 8.591 1.00 0.00 C ATOM 1292 C LYS B 60 -3.605 16.090 7.447 1.00 0.00 C ATOM 1293 O LYS B 60 -4.187 16.307 6.386 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.520 14.159 9.025 1.00 0.00 C ATOM 1295 CG LYS B 60 -3.795 13.707 10.451 1.00 0.00 C ATOM 1296 CD LYS B 60 -2.644 12.871 10.989 1.00 0.00 C ATOM 1297 CE LYS B 60 -3.050 12.064 12.213 1.00 0.00 C ATOM 1298 NZ LYS B 60 -3.113 12.890 13.450 1.00 0.00 N ATOM 0 H LYS B 60 -5.717 14.073 7.762 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.411 16.059 9.447 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -3.742 13.336 8.346 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.457 14.378 8.924 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -3.946 14.577 11.089 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.717 13.126 10.481 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.291 12.195 10.210 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -1.810 13.524 11.246 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.024 11.608 12.036 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.339 11.251 12.360 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -3.394 12.292 14.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -2.178 13.305 13.638 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -3.811 13.651 13.324 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.340 16.422 7.652 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.551 17.075 6.616 1.00 0.00 C ATOM 1314 C ALA B 61 -1.064 16.045 5.600 1.00 0.00 C ATOM 1315 O ALA B 61 -0.213 16.335 4.763 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.376 17.819 7.234 1.00 0.00 C ATOM 0 H ALA B 61 -1.838 16.251 8.523 1.00 0.00 H new ATOM 0 HA ALA B 61 -2.180 17.800 6.099 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.204 18.301 6.447 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.747 18.575 7.926 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.258 17.115 7.772 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.620 14.840 5.691 1.00 0.00 N ATOM 1323 CA LYS B 62 -1.263 13.752 4.803 1.00 0.00 C ATOM 1324 C LYS B 62 -2.354 12.677 4.799 1.00 0.00 C ATOM 1325 O LYS B 62 -3.129 12.562 5.754 1.00 0.00 O ATOM 1326 CB LYS B 62 0.088 13.147 5.207 1.00 0.00 C ATOM 1327 CG LYS B 62 0.314 13.017 6.712 1.00 0.00 C ATOM 1328 CD LYS B 62 1.548 12.173 7.008 1.00 0.00 C ATOM 1329 CE LYS B 62 1.669 11.828 8.484 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.619 10.703 8.716 1.00 0.00 N ATOM 0 H LYS B 62 -2.329 14.597 6.383 1.00 0.00 H new ATOM 0 HA LYS B 62 -1.173 14.151 3.793 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.176 12.159 4.755 1.00 0.00 H new ATOM 0 HB3 LYS B 62 0.884 13.762 4.787 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.432 14.007 7.152 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.561 12.563 7.177 1.00 0.00 H new ATOM 0 HD2 LYS B 62 1.505 11.253 6.424 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.440 12.712 6.689 1.00 0.00 H new ATOM 0 HE2 LYS B 62 2.005 12.706 9.036 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.688 11.561 8.876 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 2.673 10.499 9.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.286 9.857 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 3.562 10.967 8.365 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.410 11.915 3.712 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.389 10.839 3.539 1.00 0.00 C ATOM 1346 C ILE B 63 -2.673 9.494 3.646 1.00 0.00 C ATOM 1347 O ILE B 63 -1.553 9.365 3.150 1.00 0.00 O ATOM 1348 CB ILE B 63 -4.078 10.959 2.156 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.947 12.217 2.091 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.908 9.727 1.844 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -4.230 13.429 1.533 1.00 0.00 C ATOM 0 H ILE B 63 -1.776 12.024 2.920 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.151 10.915 4.314 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.294 11.037 1.402 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.823 12.010 1.476 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.308 12.450 3.093 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.378 9.843 0.867 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.264 8.847 1.835 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.679 9.605 2.605 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.911 14.280 1.519 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.370 13.663 2.160 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.893 13.217 0.518 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.282 8.477 4.275 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.562 7.203 4.415 1.00 0.00 C ATOM 1365 C GLN B 64 -3.402 5.953 4.141 1.00 0.00 C ATOM 1366 O GLN B 64 -4.630 5.978 4.135 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.945 7.061 5.816 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.960 8.151 6.204 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.623 9.362 6.830 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -1.142 10.474 6.695 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.716 9.155 7.545 1.00 0.00 N ATOM 0 H GLN B 64 -4.220 8.504 4.675 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.792 7.254 3.645 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.751 7.044 6.550 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.438 6.098 5.876 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -0.232 7.741 6.904 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.408 8.465 5.318 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -3.093 8.212 7.638 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -3.182 9.938 8.003 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.677 4.859 3.922 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.226 3.526 3.688 1.00 0.00 C ATOM 1382 C LEU B 65 -2.316 2.530 4.408 1.00 0.00 C ATOM 1383 O LEU B 65 -1.137 2.469 4.100 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.229 3.213 2.203 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.217 2.136 1.774 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.545 2.747 1.386 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.628 1.319 0.644 1.00 0.00 C ATOM 0 H LEU B 65 -1.657 4.877 3.902 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.251 3.468 4.055 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.452 4.128 1.655 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.226 2.902 1.911 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.403 1.469 2.616 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.234 1.958 1.083 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.961 3.285 2.238 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.399 3.439 0.557 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.339 0.550 0.342 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.415 1.970 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.704 0.847 0.979 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.824 1.743 5.346 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.945 0.844 6.094 1.00 0.00 C ATOM 1401 C GLN B 66 -2.411 -0.596 6.088 1.00 0.00 C ATOM 1402 O GLN B 66 -3.601 -0.887 5.991 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.772 1.316 7.542 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.897 0.898 8.464 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.403 0.408 9.807 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -2.012 -0.746 9.945 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.453 1.269 10.811 1.00 0.00 N ATOM 0 H GLN B 66 -3.810 1.704 5.605 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.986 0.879 5.577 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.832 0.924 7.931 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.693 2.403 7.552 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.569 1.743 8.615 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.478 0.109 7.986 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.785 2.220 10.651 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -2.159 0.981 11.745 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.446 -1.491 6.191 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.712 -2.912 6.211 1.00 0.00 C ATOM 1418 C LEU B 67 -1.206 -3.539 7.502 1.00 0.00 C ATOM 1419 O LEU B 67 -0.035 -3.402 7.851 1.00 0.00 O ATOM 1420 CB LEU B 67 -1.036 -3.585 5.019 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.267 -2.893 3.682 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.235 -3.343 2.662 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.674 -3.167 3.179 1.00 0.00 C ATOM 0 H LEU B 67 -0.457 -1.251 6.263 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.790 -3.058 6.151 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.037 -3.634 5.207 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.394 -4.612 4.948 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.157 -1.818 3.826 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.417 -2.838 1.713 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.764 -3.094 3.021 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.311 -4.421 2.519 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.823 -2.665 2.223 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.812 -4.241 3.051 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.398 -2.792 3.902 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.102 -4.197 8.210 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.759 -4.895 9.440 1.00 0.00 C ATOM 1437 C VAL B 68 -1.332 -6.290 9.046 1.00 0.00 C ATOM 1438 O VAL B 68 -2.150 -7.075 8.583 1.00 0.00 O ATOM 1439 CB VAL B 68 -2.952 -4.982 10.416 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.513 -5.567 11.752 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.595 -3.616 10.613 1.00 0.00 C ATOM 0 H VAL B 68 -3.087 -4.265 7.953 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.968 -4.350 9.956 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.697 -5.647 9.979 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.369 -5.620 12.425 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.112 -6.568 11.596 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.744 -4.932 12.192 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.433 -3.705 11.305 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.859 -2.923 11.021 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.954 -3.241 9.654 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.065 -6.604 9.207 1.00 0.00 N ATOM 1452 CA LEU B 69 0.427 -7.902 8.785 1.00 0.00 C ATOM 1453 C LEU B 69 0.303 -8.960 9.871 1.00 0.00 C ATOM 1454 O LEU B 69 0.093 -8.655 11.045 1.00 0.00 O ATOM 1455 CB LEU B 69 1.872 -7.804 8.312 1.00 0.00 C ATOM 1456 CG LEU B 69 2.226 -6.526 7.551 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.669 -6.570 7.081 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.293 -6.317 6.369 1.00 0.00 C ATOM 0 H LEU B 69 0.636 -5.990 9.621 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.204 -8.217 7.954 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.527 -7.884 9.180 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.086 -8.660 7.671 1.00 0.00 H new ATOM 0 HG LEU B 69 2.104 -5.684 8.233 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.904 -5.653 6.541 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.330 -6.663 7.943 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.811 -7.426 6.421 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.568 -5.401 5.846 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.375 -7.163 5.687 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.266 -6.237 6.726 1.00 0.00 H new ATOM 1470 N HIS B 70 0.426 -10.214 9.445 1.00 0.00 N ATOM 1471 CA HIS B 70 0.341 -11.368 10.344 1.00 0.00 C ATOM 1472 C HIS B 70 1.476 -11.374 11.363 1.00 0.00 C ATOM 1473 O HIS B 70 1.390 -12.042 12.390 1.00 0.00 O ATOM 1474 CB HIS B 70 0.385 -12.676 9.547 1.00 0.00 C ATOM 1475 CG HIS B 70 -0.862 -12.962 8.772 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.558 -12.175 7.921 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -1.528 -14.165 8.801 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -2.645 -12.879 7.427 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -2.580 -14.065 7.983 1.00 0.00 N flip ATOM 0 H HIS B 70 0.587 -10.462 8.469 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.607 -11.288 10.875 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.228 -12.640 8.857 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.570 -13.502 10.234 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.320 -11.213 7.680 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -1.251 -15.033 9.380 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.390 -12.525 6.730 1.00 0.00 H new ATOM 1487 N ALA B 71 2.538 -10.633 11.072 1.00 0.00 N ATOM 1488 CA ALA B 71 3.689 -10.566 11.962 1.00 0.00 C ATOM 1489 C ALA B 71 3.394 -9.695 13.180 1.00 0.00 C ATOM 1490 O ALA B 71 4.136 -9.712 14.162 1.00 0.00 O ATOM 1491 CB ALA B 71 4.904 -10.042 11.213 1.00 0.00 C ATOM 0 H ALA B 71 2.626 -10.070 10.226 1.00 0.00 H new ATOM 0 HA ALA B 71 3.903 -11.574 12.316 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.757 -9.997 11.890 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.135 -10.709 10.382 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.692 -9.044 10.829 1.00 0.00 H new ATOM 1497 N GLY B 72 2.305 -8.939 13.111 1.00 0.00 N ATOM 1498 CA GLY B 72 1.932 -8.076 14.213 1.00 0.00 C ATOM 1499 C GLY B 72 2.329 -6.638 13.969 1.00 0.00 C ATOM 1500 O GLY B 72 2.055 -5.761 14.788 1.00 0.00 O ATOM 0 H GLY B 72 1.674 -8.909 12.310 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.855 -8.133 14.369 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.405 -8.432 15.128 1.00 0.00 H new ATOM 1504 N ASP B 73 2.973 -6.398 12.838 1.00 0.00 N ATOM 1505 CA ASP B 73 3.412 -5.065 12.473 1.00 0.00 C ATOM 1506 C ASP B 73 2.411 -4.429 11.519 1.00 0.00 C ATOM 1507 O ASP B 73 1.510 -5.104 11.009 1.00 0.00 O ATOM 1508 CB ASP B 73 4.801 -5.117 11.830 1.00 0.00 C ATOM 1509 CG ASP B 73 4.788 -5.794 10.475 1.00 0.00 C ATOM 1510 OD1 ASP B 73 4.406 -6.984 10.407 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.159 -5.136 9.483 1.00 0.00 O ATOM 0 H ASP B 73 3.204 -7.118 12.153 1.00 0.00 H new ATOM 0 HA ASP B 73 3.473 -4.457 13.376 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.186 -4.103 11.722 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.485 -5.649 12.492 1.00 0.00 H new ATOM 1516 N THR B 74 2.556 -3.134 11.289 1.00 0.00 N ATOM 1517 CA THR B 74 1.651 -2.416 10.410 1.00 0.00 C ATOM 1518 C THR B 74 2.421 -1.496 9.470 1.00 0.00 C ATOM 1519 O THR B 74 3.301 -0.747 9.903 1.00 0.00 O ATOM 1520 CB THR B 74 0.658 -1.565 11.230 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.378 -0.664 12.082 1.00 0.00 O ATOM 1522 CG2 THR B 74 -0.254 -2.439 12.080 1.00 0.00 C ATOM 0 H THR B 74 3.292 -2.560 11.699 1.00 0.00 H new ATOM 0 HA THR B 74 1.106 -3.158 9.826 1.00 0.00 H new ATOM 0 HB THR B 74 0.041 -1.004 10.528 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.213 -0.397 11.644 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.940 -1.808 12.644 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.823 -3.107 11.434 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.348 -3.029 12.771 1.00 0.00 H new ATOM 1530 N THR B 75 2.087 -1.547 8.194 1.00 0.00 N ATOM 1531 CA THR B 75 2.734 -0.702 7.205 1.00 0.00 C ATOM 1532 C THR B 75 1.792 0.425 6.781 1.00 0.00 C ATOM 1533 O THR B 75 0.909 0.214 5.952 1.00 0.00 O ATOM 1534 CB THR B 75 3.126 -1.528 5.963 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.136 -2.925 6.290 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.494 -1.113 5.441 1.00 0.00 C ATOM 0 H THR B 75 1.370 -2.166 7.816 1.00 0.00 H new ATOM 0 HA THR B 75 3.633 -0.279 7.653 1.00 0.00 H new ATOM 0 HB THR B 75 2.389 -1.341 5.182 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.384 -3.445 5.497 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.746 -1.711 4.565 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.474 -0.058 5.167 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.243 -1.272 6.217 1.00 0.00 H new ATOM 1544 N ASN B 76 1.969 1.617 7.353 1.00 0.00 N ATOM 1545 CA ASN B 76 1.119 2.751 7.004 1.00 0.00 C ATOM 1546 C ASN B 76 1.767 3.547 5.877 1.00 0.00 C ATOM 1547 O ASN B 76 2.808 4.176 6.060 1.00 0.00 O ATOM 1548 CB ASN B 76 0.807 3.679 8.212 1.00 0.00 C ATOM 1549 CG ASN B 76 0.768 2.984 9.576 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.602 2.138 9.893 1.00 0.00 O ATOM 1551 ND2 ASN B 76 -0.203 3.361 10.406 1.00 0.00 N ATOM 0 H ASN B 76 2.685 1.819 8.051 1.00 0.00 H new ATOM 0 HA ASN B 76 0.162 2.345 6.676 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.557 4.469 8.246 1.00 0.00 H new ATOM 0 HB3 ASN B 76 -0.155 4.161 8.040 1.00 0.00 H new ATOM 0 HD21 ASN B 76 -0.270 2.945 11.335 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.880 4.066 10.113 1.00 0.00 H new ATOM 1558 N PHE B 77 1.139 3.496 4.712 1.00 0.00 N ATOM 1559 CA PHE B 77 1.629 4.179 3.522 1.00 0.00 C ATOM 1560 C PHE B 77 1.090 5.599 3.452 1.00 0.00 C ATOM 1561 O PHE B 77 -0.120 5.813 3.439 1.00 0.00 O ATOM 1562 CB PHE B 77 1.240 3.408 2.261 1.00 0.00 C ATOM 1563 CG PHE B 77 2.161 2.262 1.959 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.494 2.494 1.664 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.698 0.956 1.967 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.348 1.446 1.384 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.549 -0.096 1.686 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.876 0.149 1.394 1.00 0.00 C ATOM 0 H PHE B 77 0.273 2.979 4.564 1.00 0.00 H new ATOM 0 HA PHE B 77 2.716 4.224 3.584 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.224 3.029 2.374 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.232 4.092 1.413 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.870 3.506 1.653 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.661 0.758 2.195 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.386 1.641 1.157 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.176 -1.110 1.695 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.543 -0.672 1.174 1.00 0.00 H new ATOM 1578 N HIS B 78 1.996 6.553 3.406 1.00 0.00 N ATOM 1579 CA HIS B 78 1.651 7.961 3.361 1.00 0.00 C ATOM 1580 C HIS B 78 1.703 8.507 1.928 1.00 0.00 C ATOM 1581 O HIS B 78 2.766 8.586 1.320 1.00 0.00 O ATOM 1582 CB HIS B 78 2.625 8.691 4.306 1.00 0.00 C ATOM 1583 CG HIS B 78 2.775 10.176 4.127 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.817 10.889 4.675 1.00 0.00 N ATOM 1585 CD2 HIS B 78 2.024 11.077 3.445 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.675 12.169 4.317 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.604 12.338 3.567 1.00 0.00 N ATOM 0 H HIS B 78 3.000 6.373 3.399 1.00 0.00 H new ATOM 0 HA HIS B 78 0.624 8.121 3.690 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.304 8.505 5.331 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.609 8.236 4.193 1.00 0.00 H new ATOM 0 HD2 HIS B 78 1.122 10.853 2.896 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.350 12.962 4.605 1.00 0.00 H new ATOM 0 HE2 HIS B 78 2.269 13.211 3.160 1.00 0.00 H new ATOM 1595 N PHE B 79 0.548 8.879 1.389 1.00 0.00 N ATOM 1596 CA PHE B 79 0.486 9.446 0.044 1.00 0.00 C ATOM 1597 C PHE B 79 0.715 10.950 0.148 1.00 0.00 C ATOM 1598 O PHE B 79 -0.186 11.691 0.536 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.872 9.182 -0.635 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.213 7.735 -0.871 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.372 6.852 0.186 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.408 7.269 -2.160 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.718 5.533 -0.042 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.749 5.952 -2.393 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.907 5.084 -1.336 1.00 0.00 C ATOM 0 H PHE B 79 -0.354 8.800 1.858 1.00 0.00 H new ATOM 0 HA PHE B 79 1.253 8.970 -0.567 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.656 9.626 -0.022 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -0.885 9.700 -1.594 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -1.224 7.198 1.198 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.292 7.945 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.840 4.854 0.789 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.892 5.602 -3.405 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.178 4.054 -1.517 1.00 0.00 H new ATOM 1615 N SER B 80 1.916 11.404 -0.189 1.00 0.00 N ATOM 1616 CA SER B 80 2.233 12.825 -0.086 1.00 0.00 C ATOM 1617 C SER B 80 2.048 13.557 -1.411 1.00 0.00 C ATOM 1618 O SER B 80 2.634 14.618 -1.630 1.00 0.00 O ATOM 1619 CB SER B 80 3.660 13.024 0.434 1.00 0.00 C ATOM 1620 OG SER B 80 4.612 12.343 -0.367 1.00 0.00 O ATOM 0 H SER B 80 2.678 10.819 -0.532 1.00 0.00 H new ATOM 0 HA SER B 80 1.529 13.256 0.626 1.00 0.00 H new ATOM 0 HB2 SER B 80 3.895 14.088 0.452 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.726 12.665 1.461 1.00 0.00 H new ATOM 0 HG SER B 80 4.158 11.916 -1.123 1.00 0.00 H new ATOM 1626 N ASN B 81 1.242 13.002 -2.302 1.00 0.00 N ATOM 1627 CA ASN B 81 1.001 13.659 -3.576 1.00 0.00 C ATOM 1628 C ASN B 81 -0.324 14.391 -3.515 1.00 0.00 C ATOM 1629 O ASN B 81 -1.367 13.823 -3.794 1.00 0.00 O ATOM 1630 CB ASN B 81 1.009 12.676 -4.748 1.00 0.00 C ATOM 1631 CG ASN B 81 1.286 13.386 -6.064 1.00 0.00 C ATOM 1632 OD1 ASN B 81 2.018 14.368 -6.106 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.702 12.907 -7.143 1.00 0.00 N ATOM 0 H ASN B 81 0.753 12.117 -2.171 1.00 0.00 H new ATOM 0 HA ASN B 81 1.813 14.365 -3.750 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.767 11.911 -4.579 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.048 12.165 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.854 13.355 -8.047 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.098 12.088 -7.075 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.262 15.656 -3.147 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.439 16.516 -3.009 1.00 0.00 C ATOM 1642 C GLU B 82 -2.394 16.417 -4.206 1.00 0.00 C ATOM 1643 O GLU B 82 -3.609 16.569 -4.061 1.00 0.00 O ATOM 1644 CB GLU B 82 -0.987 17.975 -2.815 1.00 0.00 C ATOM 1645 CG GLU B 82 -0.279 18.593 -4.026 1.00 0.00 C ATOM 1646 CD GLU B 82 0.933 17.801 -4.488 1.00 0.00 C ATOM 1647 OE1 GLU B 82 1.927 17.721 -3.735 1.00 0.00 O ATOM 1648 OE2 GLU B 82 0.880 17.216 -5.592 1.00 0.00 O ATOM 0 H GLU B 82 0.615 16.129 -2.931 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.993 16.171 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -1.859 18.582 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -0.317 18.022 -1.956 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.988 18.672 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.033 19.607 -3.776 1.00 0.00 H new ATOM 1655 N SER B 83 -1.847 16.132 -5.375 1.00 0.00 N ATOM 1656 CA SER B 83 -2.637 16.044 -6.587 1.00 0.00 C ATOM 1657 C SER B 83 -3.314 14.679 -6.787 1.00 0.00 C ATOM 1658 O SER B 83 -4.410 14.613 -7.357 1.00 0.00 O ATOM 1659 CB SER B 83 -1.738 16.363 -7.781 1.00 0.00 C ATOM 1660 OG SER B 83 -0.419 15.888 -7.560 1.00 0.00 O ATOM 0 H SER B 83 -0.851 15.957 -5.509 1.00 0.00 H new ATOM 0 HA SER B 83 -3.447 16.768 -6.499 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.147 15.907 -8.682 1.00 0.00 H new ATOM 0 HB3 SER B 83 -1.718 17.440 -7.950 1.00 0.00 H new ATOM 0 HG SER B 83 0.048 16.493 -6.946 1.00 0.00 H new ATOM 1666 N THR B 84 -2.709 13.590 -6.306 1.00 0.00 N ATOM 1667 CA THR B 84 -3.284 12.259 -6.539 1.00 0.00 C ATOM 1668 C THR B 84 -3.398 11.387 -5.285 1.00 0.00 C ATOM 1669 O THR B 84 -3.889 10.268 -5.376 1.00 0.00 O ATOM 1670 CB THR B 84 -2.440 11.487 -7.573 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.188 11.113 -6.989 1.00 0.00 O ATOM 1672 CG2 THR B 84 -2.174 12.333 -8.806 1.00 0.00 C ATOM 0 H THR B 84 -1.844 13.598 -5.766 1.00 0.00 H new ATOM 0 HA THR B 84 -4.295 12.450 -6.898 1.00 0.00 H new ATOM 0 HB THR B 84 -3.000 10.600 -7.870 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.183 10.148 -6.817 1.00 0.00 H new ATOM 0 HG21 THR B 84 -1.577 11.762 -9.517 1.00 0.00 H new ATOM 0 HG22 THR B 84 -3.121 12.610 -9.268 1.00 0.00 H new ATOM 0 HG23 THR B 84 -1.633 13.234 -8.519 1.00 0.00 H new ATOM 1680 N ALA B 85 -2.985 11.899 -4.133 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.008 11.134 -2.881 1.00 0.00 C ATOM 1682 C ALA B 85 -4.343 10.448 -2.654 1.00 0.00 C ATOM 1683 O ALA B 85 -4.416 9.228 -2.543 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.689 12.043 -1.702 1.00 0.00 C ATOM 0 H ALA B 85 -2.626 12.849 -4.034 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.247 10.358 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.709 11.463 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.698 12.478 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.431 12.840 -1.646 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.387 11.250 -2.594 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.742 10.757 -2.383 1.00 0.00 C ATOM 1692 C VAL B 86 -7.141 9.728 -3.447 1.00 0.00 C ATOM 1693 O VAL B 86 -7.606 8.633 -3.131 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.741 11.930 -2.417 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.169 11.442 -2.215 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.376 12.974 -1.373 1.00 0.00 C ATOM 0 H VAL B 86 -5.325 12.264 -2.690 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.766 10.272 -1.407 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.683 12.393 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -9.851 12.292 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.429 10.740 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.250 10.944 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.093 13.794 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.398 12.521 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.376 13.357 -1.575 1.00 0.00 H new ATOM 1706 N LYS B 87 -6.907 10.080 -4.705 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.273 9.226 -5.831 1.00 0.00 C ATOM 1708 C LYS B 87 -6.507 7.905 -5.838 1.00 0.00 C ATOM 1709 O LYS B 87 -7.086 6.850 -6.098 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.036 9.961 -7.155 1.00 0.00 C ATOM 1711 CG LYS B 87 -7.884 11.215 -7.327 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.076 12.479 -7.069 1.00 0.00 C ATOM 1713 CE LYS B 87 -7.865 13.731 -7.424 1.00 0.00 C ATOM 1714 NZ LYS B 87 -7.078 14.974 -7.186 1.00 0.00 N ATOM 0 H LYS B 87 -6.462 10.958 -4.974 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.332 8.993 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -5.983 10.234 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.243 9.279 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.292 11.243 -8.338 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -8.731 11.178 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.785 12.517 -6.019 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.157 12.450 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.164 13.686 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.780 13.763 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.305 15.675 -7.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -7.317 15.362 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.062 14.754 -7.220 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.216 7.947 -5.536 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.414 6.739 -5.552 1.00 0.00 C ATOM 1730 C GLU B 88 -4.642 5.930 -4.283 1.00 0.00 C ATOM 1731 O GLU B 88 -4.475 4.712 -4.277 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.934 7.077 -5.765 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.667 7.696 -7.135 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.196 7.756 -7.509 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.485 8.659 -7.024 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.743 6.922 -8.318 1.00 0.00 O ATOM 0 H GLU B 88 -4.710 8.795 -5.280 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.726 6.118 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.607 7.768 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.338 6.171 -5.657 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.201 7.122 -7.892 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.077 8.706 -7.153 1.00 0.00 H new ATOM 1743 N ARG B 89 -5.057 6.606 -3.215 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.342 5.937 -1.951 1.00 0.00 C ATOM 1745 C ARG B 89 -6.486 4.953 -2.160 1.00 0.00 C ATOM 1746 O ARG B 89 -6.453 3.825 -1.667 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.708 6.958 -0.867 1.00 0.00 C ATOM 1748 CG ARG B 89 -5.529 6.444 0.558 1.00 0.00 C ATOM 1749 CD ARG B 89 -6.846 6.419 1.327 1.00 0.00 C ATOM 1750 NE ARG B 89 -7.586 7.678 1.219 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.676 7.833 0.470 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -9.164 6.804 -0.206 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.283 9.007 0.406 1.00 0.00 N ATOM 0 H ARG B 89 -5.203 7.615 -3.201 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.453 5.401 -1.618 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -5.095 7.849 -1.000 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.746 7.262 -1.005 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -5.106 5.440 0.531 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -4.814 7.076 1.084 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.466 5.604 0.952 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.645 6.209 2.378 1.00 0.00 H new ATOM 0 HE ARG B 89 -7.247 8.482 1.748 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -8.705 5.895 -0.152 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -9.999 6.921 -0.780 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -8.916 9.800 0.932 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.118 9.119 -0.170 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.492 5.391 -2.909 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.641 4.548 -3.217 1.00 0.00 C ATOM 1769 C ASP B 90 -8.264 3.463 -4.214 1.00 0.00 C ATOM 1770 O ASP B 90 -8.690 2.324 -4.080 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.808 5.372 -3.772 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.753 5.853 -2.690 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -11.567 5.037 -2.209 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -10.676 7.035 -2.304 1.00 0.00 O ATOM 0 H ASP B 90 -7.535 6.326 -3.314 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.959 4.082 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.414 6.232 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.363 4.769 -4.491 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.418 3.811 -5.179 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.004 2.868 -6.219 1.00 0.00 C ATOM 1781 C ALA B 91 -6.270 1.668 -5.630 1.00 0.00 C ATOM 1782 O ALA B 91 -6.429 0.536 -6.088 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.131 3.570 -7.250 1.00 0.00 C ATOM 0 H ALA B 91 -7.004 4.739 -5.265 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.904 2.496 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.830 2.857 -8.018 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.693 4.383 -7.710 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.244 3.973 -6.762 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.477 1.926 -4.605 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.720 0.873 -3.945 1.00 0.00 C ATOM 1791 C VAL B 92 -5.652 0.057 -3.066 1.00 0.00 C ATOM 1792 O VAL B 92 -5.633 -1.171 -3.102 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.559 1.428 -3.090 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.761 0.294 -2.467 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.645 2.311 -3.919 1.00 0.00 C ATOM 0 H VAL B 92 -5.339 2.856 -4.210 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.282 0.248 -4.723 1.00 0.00 H new ATOM 0 HB VAL B 92 -3.993 2.032 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.948 0.707 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.414 -0.303 -1.830 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.348 -0.336 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.837 2.688 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.226 1.731 -4.741 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.215 3.149 -4.320 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.480 0.760 -2.295 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.450 0.121 -1.414 1.00 0.00 C ATOM 1807 C LYS B 93 -8.321 -0.833 -2.219 1.00 0.00 C ATOM 1808 O LYS B 93 -8.559 -1.969 -1.815 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.319 1.191 -0.740 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.550 0.645 -0.032 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.796 0.770 -0.898 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.280 2.206 -0.971 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.098 2.460 -2.185 1.00 0.00 N ATOM 0 H LYS B 93 -6.496 1.779 -2.265 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.925 -0.444 -0.644 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.710 1.734 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.638 1.911 -1.494 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.388 -0.402 0.225 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.701 1.183 0.904 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.580 0.406 -1.903 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.587 0.138 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.869 2.435 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.422 2.878 -0.966 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.947 3.437 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.816 1.800 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -13.104 2.321 -1.961 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.771 -0.345 -3.365 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.605 -1.102 -4.282 1.00 0.00 C ATOM 1829 C ASP B 94 -8.948 -2.414 -4.677 1.00 0.00 C ATOM 1830 O ASP B 94 -9.525 -3.484 -4.500 1.00 0.00 O ATOM 1831 CB ASP B 94 -9.893 -0.253 -5.520 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.169 0.556 -5.386 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.372 1.185 -4.322 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -11.971 0.562 -6.340 1.00 0.00 O ATOM 0 H ASP B 94 -8.564 0.600 -3.687 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.541 -1.346 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.056 0.422 -5.696 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.968 -0.902 -6.392 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.731 -2.333 -5.191 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.005 -3.528 -5.597 1.00 0.00 C ATOM 1841 C LEU B 95 -6.754 -4.434 -4.398 1.00 0.00 C ATOM 1842 O LEU B 95 -6.874 -5.654 -4.495 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.683 -3.156 -6.280 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.684 -3.248 -7.815 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -6.896 -2.537 -8.401 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.405 -2.654 -8.382 1.00 0.00 C ATOM 0 H LEU B 95 -7.227 -1.458 -5.337 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.617 -4.071 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.420 -2.137 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.899 -3.808 -5.895 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.737 -4.301 -8.091 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.874 -2.616 -9.488 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.807 -2.999 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -6.876 -1.486 -8.113 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.421 -2.727 -9.469 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.329 -1.607 -8.089 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.546 -3.202 -7.994 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.454 -3.832 -3.259 1.00 0.00 N ATOM 1859 CA LEU B 96 -6.177 -4.589 -2.050 1.00 0.00 C ATOM 1860 C LEU B 96 -7.404 -5.334 -1.544 1.00 0.00 C ATOM 1861 O LEU B 96 -7.345 -6.538 -1.313 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.629 -3.679 -0.967 1.00 0.00 C ATOM 1863 CG LEU B 96 -4.234 -3.161 -1.270 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.749 -2.241 -0.167 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.272 -4.318 -1.476 1.00 0.00 C ATOM 0 H LEU B 96 -6.396 -2.820 -3.146 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.425 -5.336 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.303 -2.833 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.611 -4.221 -0.021 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.275 -2.583 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.748 -1.883 -0.406 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.427 -1.392 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.723 -2.786 0.777 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.277 -3.930 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.236 -4.926 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.612 -4.930 -2.312 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.519 -4.626 -1.395 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.755 -5.234 -0.906 1.00 0.00 C ATOM 1879 C GLN B 97 -10.240 -6.325 -1.857 1.00 0.00 C ATOM 1880 O GLN B 97 -10.984 -7.219 -1.464 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.850 -4.175 -0.713 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.373 -3.583 -2.012 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.649 -2.778 -1.833 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -13.506 -2.759 -2.716 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -12.787 -2.101 -0.702 1.00 0.00 N ATOM 0 H GLN B 97 -8.594 -3.631 -1.605 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.540 -5.688 0.061 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.682 -4.622 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.458 -3.371 -0.091 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.605 -2.943 -2.447 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.556 -4.389 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -12.056 -2.140 0.008 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.624 -1.541 -0.542 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.816 -6.244 -3.111 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.204 -7.231 -4.110 1.00 0.00 C ATOM 1896 C GLN B 98 -9.254 -8.431 -4.119 1.00 0.00 C ATOM 1897 O GLN B 98 -9.677 -9.572 -4.323 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.221 -6.594 -5.497 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.387 -5.646 -5.723 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.305 -4.938 -7.060 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -10.817 -5.497 -8.041 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.773 -3.700 -7.105 1.00 0.00 N ATOM 0 H GLN B 98 -9.204 -5.506 -3.460 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.201 -7.585 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.288 -6.050 -5.648 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.255 -7.383 -6.248 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.322 -6.204 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.410 -4.905 -4.924 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.170 -3.274 -6.267 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.737 -3.172 -7.977 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.971 -8.171 -3.921 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.957 -9.225 -3.938 1.00 0.00 C ATOM 1913 C LEU B 99 -6.817 -9.940 -2.594 1.00 0.00 C ATOM 1914 O LEU B 99 -6.605 -11.152 -2.560 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.606 -8.642 -4.356 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.547 -8.154 -5.804 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.437 -7.131 -5.980 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.346 -9.324 -6.755 1.00 0.00 C ATOM 0 H LEU B 99 -7.602 -7.236 -3.746 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.287 -9.969 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.364 -7.810 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.836 -9.400 -4.210 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.497 -7.675 -6.041 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.412 -6.796 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.622 -6.278 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.480 -7.584 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.307 -8.957 -7.780 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.412 -9.831 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.176 -10.023 -6.652 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.954 -9.197 -1.503 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.807 -9.753 -0.154 1.00 0.00 C ATOM 1932 C LEU B 100 -7.628 -11.027 0.082 1.00 0.00 C ATOM 1933 O LEU B 100 -7.055 -12.053 0.437 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.133 -8.701 0.910 1.00 0.00 C ATOM 1935 CG LEU B 100 -5.942 -7.858 1.358 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.372 -6.824 2.385 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -4.845 -8.744 1.923 1.00 0.00 C ATOM 0 H LEU B 100 -7.168 -8.200 -1.522 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.760 -10.044 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.905 -8.037 0.521 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.554 -9.203 1.781 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.548 -7.333 0.488 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -5.508 -6.234 2.691 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.124 -6.167 1.947 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -6.793 -7.328 3.255 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.004 -8.126 2.237 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.229 -9.297 2.780 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.514 -9.446 1.158 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.964 -11.013 -0.121 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.801 -12.204 0.107 1.00 0.00 C ATOM 1951 C PRO B 101 -9.384 -13.403 -0.743 1.00 0.00 C ATOM 1952 O PRO B 101 -9.727 -14.545 -0.431 1.00 0.00 O ATOM 1953 CB PRO B 101 -11.208 -11.744 -0.291 1.00 0.00 C ATOM 1954 CG PRO B 101 -11.169 -10.262 -0.183 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.775 -9.864 -0.568 1.00 0.00 C ATOM 0 HA PRO B 101 -9.719 -12.548 1.138 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.455 -12.060 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.964 -12.169 0.369 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.904 -9.802 -0.843 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.403 -9.937 0.831 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.685 -9.700 -1.642 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.470 -8.940 -0.078 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.627 -13.147 -1.801 1.00 0.00 N ATOM 1964 CA LYS B 102 -8.183 -14.206 -2.693 1.00 0.00 C ATOM 1965 C LYS B 102 -6.883 -14.848 -2.216 1.00 0.00 C ATOM 1966 O LYS B 102 -6.705 -16.055 -2.350 1.00 0.00 O ATOM 1967 CB LYS B 102 -8.000 -13.667 -4.115 1.00 0.00 C ATOM 1968 CG LYS B 102 -9.294 -13.218 -4.777 1.00 0.00 C ATOM 1969 CD LYS B 102 -9.153 -13.153 -6.292 1.00 0.00 C ATOM 1970 CE LYS B 102 -8.272 -11.992 -6.732 1.00 0.00 C ATOM 1971 NZ LYS B 102 -8.987 -10.688 -6.660 1.00 0.00 N ATOM 0 H LYS B 102 -8.308 -12.214 -2.062 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.957 -14.973 -2.690 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.307 -12.826 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.539 -14.440 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.096 -13.907 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.578 -12.238 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.730 -14.089 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.140 -13.052 -6.744 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.383 -11.953 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -7.932 -12.162 -7.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.416 -9.953 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.905 -10.768 -7.142 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.140 -10.431 -5.664 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.987 -14.056 -1.642 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.699 -14.582 -1.192 1.00 0.00 C ATOM 1987 C PHE B 103 -4.661 -14.850 0.308 1.00 0.00 C ATOM 1988 O PHE B 103 -3.920 -15.721 0.763 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.568 -13.629 -1.578 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.375 -13.504 -3.064 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -4.063 -12.545 -3.790 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -2.510 -14.354 -3.734 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -3.890 -12.436 -5.157 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -2.335 -14.249 -5.099 1.00 0.00 C ATOM 1995 CZ PHE B 103 -3.026 -13.290 -5.812 1.00 0.00 C ATOM 0 H PHE B 103 -6.123 -13.059 -1.477 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.561 -15.539 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.775 -12.643 -1.162 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.639 -13.977 -1.126 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -4.742 -11.876 -3.282 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.967 -15.107 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -4.430 -11.683 -5.712 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -1.657 -14.917 -5.609 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.891 -13.208 -6.880 1.00 0.00 H new