USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 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+ 148:sc= 2.32 (180deg=0.292) USER MOD Set 1.2: B 81 ASN : amide:sc= 0.916 K(o=2.2,f=-9.9!) USER MOD Set 1.3: B 84 THR OG1 : rot 171:sc= -1 USER MOD Set 2.1: B 66 GLN : amide:sc= -5.88! C(o=-5.7!,f=-7.3!) USER MOD Set 2.2: B 76 ASN : amide:sc= 0.201 K(o=-5.7,f=-7.1) USER MOD Set 3.1: A 52 GLN : amide:sc= -7.72! C(o=-18!,f=-20!) USER MOD Set 3.2: B 56 SER OG : rot 70:sc= 1.97 USER MOD Set 3.3: B 60 LYS NZ :NH3+ 180:sc= -3.29! (180deg=-4.18!) USER MOD Set 3.4: B 64 GLN : amide:sc= -8.71! C(o=-18!,f=-32!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: B 52 CYS SG : rot -71:sc= -0.922 USER MOD Set 5.1: B 45 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.3) USER MOD Set 5.2: B 75 THR OG1 : rot -147:sc= 0.00197 USER MOD Set 6.1: B 13 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.291) USER MOD Set 6.2: B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 GLN :FLIP amide:sc= -0.266 F(o=-0.84,f=-0.27) USER MOD Single : B 18 LYS NZ :NH3+ -125:sc= -0.25 (180deg=-1.12) USER MOD Single : B 19 LYS NZ :NH3+ 165:sc= -0.0655 (180deg=-0.308) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.323 F(o=-1.2,f=-0.32) USER MOD Single : B 27 MET CE :methyl 163:sc= 0 (180deg=-0.306) USER MOD Single : B 42 THR OG1 : rot 160:sc= -0.268 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 154:sc= 1.16 USER MOD Single : B 53 GLN : amide:sc= -0.928 K(o=-0.93,f=-7.4!) USER MOD Single : B 54 LYS NZ :NH3+ 151:sc= 1.29 (180deg=1.17) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS :FLIP no HE2:sc= -1.15 F(o=-3.2!,f=-1.1) USER MOD Single : B 74 THR OG1 : rot 32:sc= 0.125 USER MOD Single : B 78 HIS : no HD1:sc= -2.73 X(o=-2.7,f=-2.6) USER MOD Single : B 80 SER OG : rot 10:sc= 1.04 USER MOD Single : B 83 SER OG : rot 70:sc= 0.495 USER MOD Single : B 87 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.01) USER MOD Single : B 93 LYS NZ :NH3+ -152:sc= 2.3 (180deg=2.12) USER MOD Single : B 97 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : B 98 GLN : amide:sc= 0.186 X(o=0.19,f=0) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.561 9.072 13.111 1.00 0.00 N ATOM 135 CA ILE A 50 -1.087 7.859 12.579 1.00 0.00 C ATOM 136 C ILE A 50 -1.662 6.956 13.674 1.00 0.00 C ATOM 137 O ILE A 50 -1.118 6.835 14.769 1.00 0.00 O ATOM 138 CB ILE A 50 -0.005 7.103 11.775 1.00 0.00 C ATOM 139 CG1 ILE A 50 -0.053 7.489 10.311 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.199 5.627 11.883 1.00 0.00 C ATOM 141 CD1 ILE A 50 1.135 7.016 9.512 1.00 0.00 C ATOM 0 HA ILE A 50 -1.904 8.127 11.910 1.00 0.00 H new ATOM 0 HB ILE A 50 0.963 7.378 12.195 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.961 7.081 9.868 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.121 8.574 10.234 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.574 5.116 11.309 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.133 5.327 12.929 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.180 5.359 11.490 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.025 7.332 8.475 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.047 7.445 9.927 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.193 5.928 9.556 1.00 0.00 H new ATOM 153 N GLU A 51 -2.806 6.411 13.302 1.00 0.00 N ATOM 154 CA GLU A 51 -3.641 5.451 14.045 1.00 0.00 C ATOM 155 C GLU A 51 -4.981 6.096 14.362 1.00 0.00 C ATOM 156 O GLU A 51 -5.406 6.237 15.505 1.00 0.00 O ATOM 157 CB GLU A 51 -2.986 4.801 15.266 1.00 0.00 C ATOM 158 CG GLU A 51 -1.982 3.715 14.887 1.00 0.00 C ATOM 159 CD GLU A 51 -2.430 2.895 13.684 1.00 0.00 C ATOM 160 OE1 GLU A 51 -3.175 1.909 13.867 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.042 3.240 12.545 1.00 0.00 O ATOM 0 H GLU A 51 -3.220 6.640 12.398 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.790 4.596 13.386 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.481 5.568 15.854 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.759 4.370 15.902 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.019 4.176 14.669 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.832 3.051 15.739 1.00 0.00 H new ATOM 168 N GLN A 52 -5.598 6.507 13.267 1.00 0.00 N ATOM 169 CA GLN A 52 -6.895 7.151 13.216 1.00 0.00 C ATOM 170 C GLN A 52 -7.506 6.754 11.906 1.00 0.00 C ATOM 171 O GLN A 52 -7.913 7.567 11.079 1.00 0.00 O ATOM 172 CB GLN A 52 -6.756 8.678 13.344 1.00 0.00 C ATOM 173 CG GLN A 52 -5.999 9.355 12.195 1.00 0.00 C ATOM 174 CD GLN A 52 -4.577 8.863 12.017 1.00 0.00 C ATOM 175 OE1 GLN A 52 -3.676 9.283 12.723 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.363 7.984 11.040 1.00 0.00 N ATOM 0 H GLN A 52 -5.184 6.393 12.342 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.530 6.840 14.046 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.752 9.115 13.411 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.245 8.905 14.280 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.547 9.192 11.267 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.981 10.431 12.370 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.142 7.655 10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.420 7.639 10.862 1.00 0.00 H new ATOM 185 N TRP A 53 -7.537 5.465 11.740 1.00 0.00 N ATOM 186 CA TRP A 53 -8.018 4.856 10.545 1.00 0.00 C ATOM 187 C TRP A 53 -9.453 4.399 10.726 1.00 0.00 C ATOM 188 O TRP A 53 -10.094 4.716 11.724 1.00 0.00 O ATOM 189 CB TRP A 53 -7.098 3.684 10.210 1.00 0.00 C ATOM 190 CG TRP A 53 -5.634 4.055 10.184 1.00 0.00 C ATOM 191 CD1 TRP A 53 -4.849 4.466 11.213 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.801 4.031 9.049 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.570 4.734 10.761 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.517 4.464 9.422 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.037 3.688 7.754 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.471 4.560 8.487 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.042 3.772 6.849 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.771 4.204 7.203 1.00 0.00 C ATOM 0 H TRP A 53 -7.222 4.800 12.446 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.011 5.571 9.722 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.251 2.892 10.943 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.379 3.278 9.238 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.176 4.569 12.237 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.796 5.076 11.331 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.017 3.350 7.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.484 4.897 8.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.238 3.497 5.823 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.002 4.260 6.446 1.00 0.00 H new ATOM 209 N PHE A 54 -9.958 3.697 9.735 1.00 0.00 N ATOM 210 CA PHE A 54 -11.315 3.184 9.773 1.00 0.00 C ATOM 211 C PHE A 54 -11.278 1.692 9.661 1.00 0.00 C ATOM 212 O PHE A 54 -12.308 1.063 9.421 1.00 0.00 O ATOM 213 CB PHE A 54 -12.114 3.739 8.609 1.00 0.00 C ATOM 214 CG PHE A 54 -12.106 5.223 8.560 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.380 5.950 9.699 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.842 5.892 7.383 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.393 7.310 9.672 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.865 7.254 7.343 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.144 7.974 8.494 1.00 0.00 C ATOM 0 H PHE A 54 -9.445 3.465 8.884 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.783 3.484 10.711 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.708 3.347 7.676 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.143 3.388 8.681 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.587 5.433 10.624 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.616 5.333 6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.599 7.867 10.574 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.666 7.771 6.416 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.166 9.053 8.466 1.00 0.00 H new ATOM 246 N GLU A 56 -10.894 -0.829 7.699 1.00 0.00 N ATOM 247 CA GLU A 56 -11.845 -1.518 6.819 1.00 0.00 C ATOM 248 C GLU A 56 -12.166 -2.926 7.308 1.00 0.00 C ATOM 249 O GLU A 56 -13.330 -3.308 7.430 1.00 0.00 O ATOM 250 CB GLU A 56 -11.254 -1.581 5.426 1.00 0.00 C ATOM 251 CG GLU A 56 -11.092 -0.218 4.778 1.00 0.00 C ATOM 252 CD GLU A 56 -10.468 -0.337 3.418 1.00 0.00 C ATOM 253 OE1 GLU A 56 -11.208 -0.600 2.451 1.00 0.00 O ATOM 254 OE2 GLU A 56 -9.235 -0.189 3.318 1.00 0.00 O ATOM 0 HA GLU A 56 -12.780 -0.958 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.281 -2.070 5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.892 -2.201 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.065 0.266 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.473 0.418 5.411 1.00 0.00 H new ATOM 261 N ASP A 57 -11.121 -3.686 7.575 1.00 0.00 N ATOM 262 CA ASP A 57 -11.264 -5.030 8.096 1.00 0.00 C ATOM 263 C ASP A 57 -10.387 -5.175 9.327 1.00 0.00 C ATOM 264 O ASP A 57 -9.198 -4.867 9.278 1.00 0.00 O ATOM 265 CB ASP A 57 -10.876 -6.087 7.058 1.00 0.00 C ATOM 266 CG ASP A 57 -10.658 -7.451 7.698 1.00 0.00 C ATOM 267 OD1 ASP A 57 -11.605 -7.978 8.321 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.532 -7.982 7.609 1.00 0.00 O ATOM 0 H ASP A 57 -10.155 -3.390 7.437 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.311 -5.190 8.351 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.659 -6.160 6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.966 -5.776 6.545 1.00 0.00 H new ATOM 415 N GLU B 7 3.415 -8.963 -11.362 1.00 0.00 N ATOM 416 CA GLU B 7 2.528 -8.206 -12.216 1.00 0.00 C ATOM 417 C GLU B 7 2.397 -6.783 -11.731 1.00 0.00 C ATOM 418 O GLU B 7 2.027 -6.543 -10.586 1.00 0.00 O ATOM 419 CB GLU B 7 1.148 -8.849 -12.234 1.00 0.00 C ATOM 420 CG GLU B 7 0.438 -8.720 -13.562 1.00 0.00 C ATOM 421 CD GLU B 7 0.750 -9.891 -14.473 1.00 0.00 C ATOM 422 OE1 GLU B 7 0.418 -11.041 -14.101 1.00 0.00 O ATOM 423 OE2 GLU B 7 1.351 -9.677 -15.541 1.00 0.00 O ATOM 0 HA GLU B 7 2.951 -8.203 -13.220 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.245 -9.906 -11.985 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.534 -8.393 -11.457 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.638 -8.662 -13.397 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.736 -7.790 -14.047 1.00 0.00 H new ATOM 430 N VAL B 8 2.701 -5.845 -12.598 1.00 0.00 N ATOM 431 CA VAL B 8 2.587 -4.452 -12.250 1.00 0.00 C ATOM 432 C VAL B 8 1.141 -4.021 -12.442 1.00 0.00 C ATOM 433 O VAL B 8 0.723 -3.640 -13.533 1.00 0.00 O ATOM 434 CB VAL B 8 3.539 -3.580 -13.086 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.391 -2.117 -12.714 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.978 -4.042 -12.892 1.00 0.00 C ATOM 0 H VAL B 8 3.028 -6.023 -13.547 1.00 0.00 H new ATOM 0 HA VAL B 8 2.876 -4.318 -11.208 1.00 0.00 H new ATOM 0 HB VAL B 8 3.277 -3.688 -14.139 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.073 -1.517 -13.317 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.366 -1.796 -12.899 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.628 -1.984 -11.658 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.644 -3.418 -13.488 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.248 -3.958 -11.839 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.073 -5.080 -13.210 1.00 0.00 H new ATOM 446 N LEU B 9 0.386 -4.116 -11.362 1.00 0.00 N ATOM 447 CA LEU B 9 -1.023 -3.780 -11.363 1.00 0.00 C ATOM 448 C LEU B 9 -1.205 -2.286 -11.259 1.00 0.00 C ATOM 449 O LEU B 9 -2.025 -1.696 -11.960 1.00 0.00 O ATOM 450 CB LEU B 9 -1.723 -4.456 -10.182 1.00 0.00 C ATOM 451 CG LEU B 9 -2.112 -5.918 -10.387 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.497 -6.547 -9.059 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.265 -6.032 -11.369 1.00 0.00 C ATOM 0 H LEU B 9 0.736 -4.430 -10.457 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.461 -4.131 -12.297 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.069 -4.392 -9.312 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.624 -3.890 -9.946 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.253 -6.449 -10.797 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.773 -7.590 -9.217 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.652 -6.495 -8.373 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.343 -6.008 -8.633 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.527 -7.082 -11.502 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -4.127 -5.488 -10.983 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.969 -5.608 -12.328 1.00 0.00 H new ATOM 465 N LEU B 10 -0.438 -1.673 -10.377 1.00 0.00 N ATOM 466 CA LEU B 10 -0.549 -0.243 -10.180 1.00 0.00 C ATOM 467 C LEU B 10 0.779 0.396 -9.805 1.00 0.00 C ATOM 468 O LEU B 10 1.470 -0.072 -8.901 1.00 0.00 O ATOM 469 CB LEU B 10 -1.536 0.042 -9.058 1.00 0.00 C ATOM 470 CG LEU B 10 -2.315 1.355 -9.193 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.251 1.306 -10.391 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.097 1.649 -7.923 1.00 0.00 C ATOM 0 H LEU B 10 0.259 -2.136 -9.794 1.00 0.00 H new ATOM 0 HA LEU B 10 -0.885 0.181 -11.126 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.249 -0.781 -9.005 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.993 0.055 -8.113 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.596 2.159 -9.350 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.794 2.248 -10.467 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.671 1.147 -11.300 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -3.960 0.488 -10.265 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.643 2.585 -8.040 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.802 0.839 -7.734 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.408 1.733 -7.083 1.00 0.00 H new ATOM 484 N ILE B 11 1.128 1.453 -10.514 1.00 0.00 N ATOM 485 CA ILE B 11 2.330 2.216 -10.212 1.00 0.00 C ATOM 486 C ILE B 11 1.920 3.566 -9.643 1.00 0.00 C ATOM 487 O ILE B 11 1.407 4.423 -10.363 1.00 0.00 O ATOM 488 CB ILE B 11 3.231 2.456 -11.445 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.790 1.132 -11.969 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.367 3.417 -11.090 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.789 1.294 -13.096 1.00 0.00 C ATOM 0 H ILE B 11 0.594 1.806 -11.308 1.00 0.00 H new ATOM 0 HA ILE B 11 2.909 1.630 -9.499 1.00 0.00 H new ATOM 0 HB ILE B 11 2.628 2.907 -12.234 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.267 0.599 -11.147 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.964 0.511 -12.315 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.995 3.578 -11.967 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.949 4.369 -10.763 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.968 2.989 -10.287 1.00 0.00 H new ATOM 0 HD11 ILE B 11 5.141 0.313 -13.414 1.00 0.00 H new ATOM 0 HD12 ILE B 11 4.311 1.798 -13.936 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.635 1.888 -12.750 1.00 0.00 H new ATOM 503 N VAL B 12 2.120 3.743 -8.352 1.00 0.00 N ATOM 504 CA VAL B 12 1.772 4.990 -7.697 1.00 0.00 C ATOM 505 C VAL B 12 3.039 5.717 -7.282 1.00 0.00 C ATOM 506 O VAL B 12 3.937 5.114 -6.700 1.00 0.00 O ATOM 507 CB VAL B 12 0.890 4.753 -6.454 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.194 6.039 -6.045 1.00 0.00 C ATOM 509 CG2 VAL B 12 -0.128 3.651 -6.709 1.00 0.00 C ATOM 0 H VAL B 12 2.522 3.038 -7.734 1.00 0.00 H new ATOM 0 HA VAL B 12 1.205 5.593 -8.406 1.00 0.00 H new ATOM 0 HB VAL B 12 1.535 4.432 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.424 5.855 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.940 6.798 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.434 6.389 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.737 3.504 -5.817 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.770 3.934 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.392 2.724 -6.950 1.00 0.00 H new ATOM 519 N LYS B 13 3.125 6.999 -7.587 1.00 0.00 N ATOM 520 CA LYS B 13 4.305 7.770 -7.237 1.00 0.00 C ATOM 521 C LYS B 13 4.020 8.709 -6.082 1.00 0.00 C ATOM 522 O LYS B 13 2.880 8.849 -5.652 1.00 0.00 O ATOM 523 CB LYS B 13 4.822 8.557 -8.438 1.00 0.00 C ATOM 524 CG LYS B 13 5.738 7.747 -9.340 1.00 0.00 C ATOM 525 CD LYS B 13 7.113 7.562 -8.716 1.00 0.00 C ATOM 526 CE LYS B 13 7.978 6.614 -9.535 1.00 0.00 C ATOM 527 NZ LYS B 13 9.287 6.351 -8.881 1.00 0.00 N ATOM 0 H LYS B 13 2.399 7.525 -8.072 1.00 0.00 H new ATOM 0 HA LYS B 13 5.077 7.065 -6.927 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.974 8.915 -9.021 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.359 9.437 -8.083 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.291 6.772 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS B 13 5.839 8.248 -10.303 1.00 0.00 H new ATOM 0 HD2 LYS B 13 7.609 8.529 -8.634 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.004 7.173 -7.704 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.448 5.672 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS B 13 8.146 7.039 -10.524 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 9.995 6.113 -9.605 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 9.593 7.199 -8.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 9.190 5.557 -8.217 1.00 0.00 H new ATOM 541 N LYS B 14 5.075 9.357 -5.606 1.00 0.00 N ATOM 542 CA LYS B 14 4.998 10.284 -4.484 1.00 0.00 C ATOM 543 C LYS B 14 4.402 9.625 -3.242 1.00 0.00 C ATOM 544 O LYS B 14 3.789 10.288 -2.401 1.00 0.00 O ATOM 545 CB LYS B 14 4.212 11.523 -4.888 1.00 0.00 C ATOM 546 CG LYS B 14 5.080 12.638 -5.449 1.00 0.00 C ATOM 547 CD LYS B 14 4.291 13.925 -5.634 1.00 0.00 C ATOM 548 CE LYS B 14 3.889 14.129 -7.084 1.00 0.00 C ATOM 549 NZ LYS B 14 2.916 15.246 -7.244 1.00 0.00 N ATOM 0 H LYS B 14 6.014 9.254 -5.990 1.00 0.00 H new ATOM 0 HA LYS B 14 6.012 10.585 -4.220 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.467 11.244 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.669 11.898 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.919 12.819 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.499 12.327 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.399 13.899 -5.008 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.890 14.772 -5.299 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.778 14.335 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.451 13.209 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.065 15.707 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.947 14.871 -7.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.056 15.940 -6.482 1.00 0.00 H new ATOM 563 N VAL B 15 4.596 8.319 -3.130 1.00 0.00 N ATOM 564 CA VAL B 15 4.112 7.576 -1.973 1.00 0.00 C ATOM 565 C VAL B 15 5.231 7.490 -0.950 1.00 0.00 C ATOM 566 O VAL B 15 6.298 6.960 -1.237 1.00 0.00 O ATOM 567 CB VAL B 15 3.618 6.156 -2.338 1.00 0.00 C ATOM 568 CG1 VAL B 15 2.935 5.508 -1.140 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.670 6.224 -3.522 1.00 0.00 C ATOM 0 H VAL B 15 5.084 7.752 -3.824 1.00 0.00 H new ATOM 0 HA VAL B 15 3.253 8.109 -1.565 1.00 0.00 H new ATOM 0 HB VAL B 15 4.476 5.544 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.593 4.510 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.642 5.437 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.081 6.114 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.327 5.220 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.813 6.847 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.188 6.654 -4.379 1.00 0.00 H new ATOM 579 N ARG B 16 4.986 8.015 0.234 1.00 0.00 N ATOM 580 CA ARG B 16 5.986 8.045 1.277 1.00 0.00 C ATOM 581 C ARG B 16 5.819 6.922 2.284 1.00 0.00 C ATOM 582 O ARG B 16 4.712 6.461 2.566 1.00 0.00 O ATOM 583 CB ARG B 16 5.947 9.396 1.988 1.00 0.00 C ATOM 584 CG ARG B 16 6.453 10.526 1.117 1.00 0.00 C ATOM 585 CD ARG B 16 6.220 11.890 1.741 1.00 0.00 C ATOM 586 NE ARG B 16 6.837 12.945 0.934 1.00 0.00 N ATOM 587 CZ ARG B 16 8.157 13.130 0.829 1.00 0.00 C ATOM 588 NH1 ARG B 16 8.995 12.467 1.615 1.00 0.00 N ATOM 589 NH2 ARG B 16 8.641 14.005 -0.044 1.00 0.00 N ATOM 0 H ARG B 16 4.092 8.430 0.497 1.00 0.00 H new ATOM 0 HA ARG B 16 6.955 7.900 0.800 1.00 0.00 H new ATOM 0 HB2 ARG B 16 4.924 9.610 2.297 1.00 0.00 H new ATOM 0 HB3 ARG B 16 6.550 9.343 2.895 1.00 0.00 H new ATOM 0 HG2 ARG B 16 7.519 10.391 0.935 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.956 10.484 0.148 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.150 12.075 1.832 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.634 11.909 2.749 1.00 0.00 H new ATOM 0 HE ARG B 16 6.222 13.577 0.421 1.00 0.00 H new ATOM 0 HH11 ARG B 16 8.634 11.810 2.306 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.001 12.614 1.528 1.00 0.00 H new ATOM 0 HH21 ARG B 16 8.005 14.539 -0.637 1.00 0.00 H new ATOM 0 HH22 ARG B 16 9.649 14.144 -0.122 1.00 0.00 H new ATOM 603 N GLN B 17 6.952 6.478 2.785 1.00 0.00 N ATOM 604 CA GLN B 17 7.024 5.441 3.788 1.00 0.00 C ATOM 605 C GLN B 17 8.062 5.871 4.817 1.00 0.00 C ATOM 606 O GLN B 17 9.262 5.856 4.533 1.00 0.00 O ATOM 607 CB GLN B 17 7.403 4.108 3.136 1.00 0.00 C ATOM 608 CG GLN B 17 7.410 2.922 4.085 1.00 0.00 C ATOM 609 CD GLN B 17 8.813 2.482 4.451 1.00 0.00 C ATOM 610 OE1 GLN B 17 9.298 2.951 5.585 1.00 0.00 O flip ATOM 611 NE2 GLN B 17 9.452 1.723 3.727 1.00 0.00 N flip ATOM 0 H GLN B 17 7.864 6.835 2.501 1.00 0.00 H new ATOM 0 HA GLN B 17 6.060 5.299 4.276 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.705 3.904 2.324 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.392 4.205 2.689 1.00 0.00 H new ATOM 0 HG2 GLN B 17 6.866 3.183 4.993 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.880 2.089 3.624 1.00 0.00 H new ATOM 0 HE21 GLN B 17 9.042 1.382 2.858 1.00 0.00 H new ATOM 0 HE22 GLN B 17 10.393 1.434 3.995 1.00 0.00 H new ATOM 620 N LYS B 18 7.588 6.307 5.985 1.00 0.00 N ATOM 621 CA LYS B 18 8.457 6.785 7.062 1.00 0.00 C ATOM 622 C LYS B 18 9.065 8.126 6.653 1.00 0.00 C ATOM 623 O LYS B 18 10.277 8.341 6.758 1.00 0.00 O ATOM 624 CB LYS B 18 9.554 5.764 7.402 1.00 0.00 C ATOM 625 CG LYS B 18 10.318 6.085 8.678 1.00 0.00 C ATOM 626 CD LYS B 18 11.686 5.422 8.688 1.00 0.00 C ATOM 627 CE LYS B 18 12.737 6.323 9.319 1.00 0.00 C ATOM 628 NZ LYS B 18 12.836 7.636 8.626 1.00 0.00 N ATOM 0 H LYS B 18 6.594 6.339 6.211 1.00 0.00 H new ATOM 0 HA LYS B 18 7.859 6.916 7.964 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.101 4.777 7.499 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.258 5.711 6.572 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.435 7.165 8.772 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.744 5.750 9.542 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.632 4.483 9.238 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.980 5.177 7.667 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.492 6.485 10.369 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.706 5.824 9.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.819 7.798 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.217 7.635 7.791 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.542 8.394 9.274 1.00 0.00 H new ATOM 642 N LYS B 19 8.192 9.013 6.172 1.00 0.00 N ATOM 643 CA LYS B 19 8.570 10.350 5.717 1.00 0.00 C ATOM 644 C LYS B 19 9.598 10.306 4.589 1.00 0.00 C ATOM 645 O LYS B 19 10.335 11.266 4.370 1.00 0.00 O ATOM 646 CB LYS B 19 9.076 11.198 6.885 1.00 0.00 C ATOM 647 CG LYS B 19 7.957 11.913 7.622 1.00 0.00 C ATOM 648 CD LYS B 19 8.435 12.541 8.918 1.00 0.00 C ATOM 649 CE LYS B 19 7.290 13.213 9.662 1.00 0.00 C ATOM 650 NZ LYS B 19 6.219 12.248 10.022 1.00 0.00 N ATOM 0 H LYS B 19 7.194 8.821 6.087 1.00 0.00 H new ATOM 0 HA LYS B 19 7.673 10.818 5.312 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.616 10.559 7.585 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.788 11.934 6.512 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.536 12.686 6.979 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.156 11.206 7.837 1.00 0.00 H new ATOM 0 HD2 LYS B 19 8.884 11.776 9.551 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.213 13.274 8.704 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.673 13.684 10.567 1.00 0.00 H new ATOM 0 HE3 LYS B 19 6.871 14.006 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 5.592 12.675 10.733 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 5.668 12.009 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.647 11.384 10.412 1.00 0.00 H new ATOM 664 N GLN B 20 9.619 9.206 3.849 1.00 0.00 N ATOM 665 CA GLN B 20 10.546 9.060 2.738 1.00 0.00 C ATOM 666 C GLN B 20 9.769 8.854 1.451 1.00 0.00 C ATOM 667 O GLN B 20 8.946 7.946 1.355 1.00 0.00 O ATOM 668 CB GLN B 20 11.514 7.893 2.956 1.00 0.00 C ATOM 669 CG GLN B 20 12.423 7.645 1.757 1.00 0.00 C ATOM 670 CD GLN B 20 13.420 6.521 1.971 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.061 5.553 2.801 1.00 0.00 O flip ATOM 672 NE2 GLN B 20 14.505 6.520 1.380 1.00 0.00 N flip ATOM 0 H GLN B 20 9.006 8.404 3.998 1.00 0.00 H new ATOM 0 HA GLN B 20 11.138 9.973 2.671 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.127 8.095 3.835 1.00 0.00 H new ATOM 0 HB3 GLN B 20 10.943 6.988 3.166 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.808 7.413 0.888 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.966 8.562 1.528 1.00 0.00 H new ATOM 0 HE21 GLN B 20 14.743 7.285 0.749 1.00 0.00 H new ATOM 0 HE22 GLN B 20 15.163 5.754 1.523 1.00 0.00 H new ATOM 681 N ASP B 21 10.028 9.711 0.480 1.00 0.00 N ATOM 682 CA ASP B 21 9.355 9.649 -0.809 1.00 0.00 C ATOM 683 C ASP B 21 9.791 8.435 -1.609 1.00 0.00 C ATOM 684 O ASP B 21 10.965 8.061 -1.621 1.00 0.00 O ATOM 685 CB ASP B 21 9.614 10.930 -1.611 1.00 0.00 C ATOM 686 CG ASP B 21 10.952 11.566 -1.283 1.00 0.00 C ATOM 687 OD1 ASP B 21 11.008 12.355 -0.310 1.00 0.00 O ATOM 688 OD2 ASP B 21 11.943 11.271 -1.975 1.00 0.00 O ATOM 0 H ASP B 21 10.708 10.467 0.560 1.00 0.00 H new ATOM 0 HA ASP B 21 8.286 9.558 -0.618 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.577 10.701 -2.676 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.817 11.646 -1.411 1.00 0.00 H new ATOM 693 N GLY B 22 8.816 7.798 -2.234 1.00 0.00 N ATOM 694 CA GLY B 22 9.073 6.648 -3.052 1.00 0.00 C ATOM 695 C GLY B 22 7.919 6.379 -3.982 1.00 0.00 C ATOM 696 O GLY B 22 7.244 7.307 -4.442 1.00 0.00 O ATOM 0 H GLY B 22 7.834 8.069 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.983 6.805 -3.631 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.245 5.778 -2.419 1.00 0.00 H new ATOM 700 N ALA B 23 7.657 5.116 -4.224 1.00 0.00 N ATOM 701 CA ALA B 23 6.594 4.724 -5.111 1.00 0.00 C ATOM 702 C ALA B 23 5.971 3.420 -4.660 1.00 0.00 C ATOM 703 O ALA B 23 6.673 2.493 -4.254 1.00 0.00 O ATOM 704 CB ALA B 23 7.132 4.601 -6.515 1.00 0.00 C ATOM 0 H ALA B 23 8.173 4.338 -3.813 1.00 0.00 H new ATOM 0 HA ALA B 23 5.816 5.487 -5.092 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.328 4.304 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.537 5.561 -6.835 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.921 3.849 -6.538 1.00 0.00 H new ATOM 710 N LEU B 24 4.658 3.347 -4.758 1.00 0.00 N ATOM 711 CA LEU B 24 3.926 2.171 -4.343 1.00 0.00 C ATOM 712 C LEU B 24 3.558 1.360 -5.580 1.00 0.00 C ATOM 713 O LEU B 24 2.869 1.846 -6.475 1.00 0.00 O ATOM 714 CB LEU B 24 2.666 2.596 -3.577 1.00 0.00 C ATOM 715 CG LEU B 24 2.185 1.649 -2.471 1.00 0.00 C ATOM 716 CD1 LEU B 24 0.783 2.031 -2.026 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.223 0.201 -2.918 1.00 0.00 C ATOM 0 H LEU B 24 4.073 4.098 -5.126 1.00 0.00 H new ATOM 0 HA LEU B 24 4.538 1.557 -3.683 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.851 3.574 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.856 2.721 -4.295 1.00 0.00 H new ATOM 0 HG LEU B 24 2.867 1.750 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.453 1.351 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.788 3.052 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.101 1.964 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU B 24 1.875 -0.439 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.577 0.071 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.245 -0.071 -3.183 1.00 0.00 H new ATOM 729 N TYR B 25 4.041 0.135 -5.625 1.00 0.00 N ATOM 730 CA TYR B 25 3.786 -0.749 -6.754 1.00 0.00 C ATOM 731 C TYR B 25 2.898 -1.923 -6.348 1.00 0.00 C ATOM 732 O TYR B 25 3.268 -2.729 -5.493 1.00 0.00 O ATOM 733 CB TYR B 25 5.107 -1.281 -7.326 1.00 0.00 C ATOM 734 CG TYR B 25 6.105 -0.205 -7.704 1.00 0.00 C ATOM 735 CD1 TYR B 25 6.114 0.344 -8.979 1.00 0.00 C ATOM 736 CD2 TYR B 25 7.044 0.254 -6.786 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.029 1.320 -9.331 1.00 0.00 C ATOM 738 CE2 TYR B 25 7.961 1.229 -7.131 1.00 0.00 C ATOM 739 CZ TYR B 25 7.950 1.758 -8.403 1.00 0.00 C ATOM 740 OH TYR B 25 8.864 2.732 -8.748 1.00 0.00 O ATOM 0 H TYR B 25 4.616 -0.277 -4.890 1.00 0.00 H new ATOM 0 HA TYR B 25 3.267 -0.168 -7.517 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.566 -1.943 -6.592 1.00 0.00 H new ATOM 0 HB3 TYR B 25 4.890 -1.884 -8.208 1.00 0.00 H new ATOM 0 HD1 TYR B 25 5.394 0.003 -9.709 1.00 0.00 H new ATOM 0 HD2 TYR B 25 7.057 -0.158 -5.788 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.022 1.737 -10.327 1.00 0.00 H new ATOM 0 HE2 TYR B 25 8.683 1.575 -6.406 1.00 0.00 H new ATOM 0 HH TYR B 25 9.440 2.927 -7.979 1.00 0.00 H new ATOM 750 N LEU B 26 1.725 -2.012 -6.956 1.00 0.00 N ATOM 751 CA LEU B 26 0.801 -3.103 -6.671 1.00 0.00 C ATOM 752 C LEU B 26 1.112 -4.277 -7.579 1.00 0.00 C ATOM 753 O LEU B 26 1.199 -4.107 -8.797 1.00 0.00 O ATOM 754 CB LEU B 26 -0.655 -2.676 -6.888 1.00 0.00 C ATOM 755 CG LEU B 26 -1.141 -1.510 -6.032 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.656 -1.400 -6.090 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.686 -1.670 -4.602 1.00 0.00 C ATOM 0 H LEU B 26 1.389 -1.344 -7.649 1.00 0.00 H new ATOM 0 HA LEU B 26 0.925 -3.385 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.783 -2.410 -7.937 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.298 -3.535 -6.697 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.708 -0.593 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.984 -0.563 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.970 -1.236 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.102 -2.322 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.044 -0.828 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.088 -2.597 -4.194 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.403 -1.701 -4.568 1.00 0.00 H new ATOM 769 N MET B 27 1.289 -5.457 -6.994 1.00 0.00 N ATOM 770 CA MET B 27 1.587 -6.651 -7.770 1.00 0.00 C ATOM 771 C MET B 27 0.459 -7.665 -7.638 1.00 0.00 C ATOM 772 O MET B 27 -0.322 -7.615 -6.689 1.00 0.00 O ATOM 773 CB MET B 27 2.917 -7.273 -7.346 1.00 0.00 C ATOM 774 CG MET B 27 4.105 -6.347 -7.538 1.00 0.00 C ATOM 775 SD MET B 27 5.660 -7.075 -6.992 1.00 0.00 S ATOM 776 CE MET B 27 6.805 -5.772 -7.439 1.00 0.00 C ATOM 0 H MET B 27 1.231 -5.610 -5.987 1.00 0.00 H new ATOM 0 HA MET B 27 1.675 -6.357 -8.816 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.856 -7.561 -6.297 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.081 -8.186 -7.918 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.185 -6.081 -8.592 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.930 -5.422 -6.988 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.747 -5.919 -6.911 1.00 0.00 H new ATOM 0 HE2 MET B 27 6.984 -5.798 -8.514 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.382 -4.806 -7.165 1.00 0.00 H new ATOM 786 N ALA B 28 0.420 -8.598 -8.579 1.00 0.00 N ATOM 787 CA ALA B 28 -0.625 -9.623 -8.658 1.00 0.00 C ATOM 788 C ALA B 28 -0.963 -10.285 -7.325 1.00 0.00 C ATOM 789 O ALA B 28 -2.131 -10.338 -6.939 1.00 0.00 O ATOM 790 CB ALA B 28 -0.223 -10.693 -9.658 1.00 0.00 C ATOM 0 H ALA B 28 1.118 -8.670 -9.319 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.526 -9.100 -8.978 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.004 -11.452 -9.712 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.088 -10.241 -10.640 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.711 -11.156 -9.340 1.00 0.00 H new ATOM 796 N GLU B 29 0.042 -10.781 -6.625 1.00 0.00 N ATOM 797 CA GLU B 29 -0.193 -11.472 -5.365 1.00 0.00 C ATOM 798 C GLU B 29 0.469 -10.773 -4.187 1.00 0.00 C ATOM 799 O GLU B 29 0.427 -11.277 -3.061 1.00 0.00 O ATOM 800 CB GLU B 29 0.320 -12.918 -5.455 1.00 0.00 C ATOM 801 CG GLU B 29 1.118 -13.226 -6.719 1.00 0.00 C ATOM 802 CD GLU B 29 2.527 -12.658 -6.694 1.00 0.00 C ATOM 803 OE1 GLU B 29 2.698 -11.489 -6.285 1.00 0.00 O ATOM 804 OE2 GLU B 29 3.466 -13.372 -7.093 1.00 0.00 O ATOM 0 H GLU B 29 1.022 -10.720 -6.903 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.269 -11.464 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.945 -13.124 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.531 -13.597 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.172 -14.307 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.587 -12.825 -7.582 1.00 0.00 H new ATOM 811 N ARG B 30 1.030 -9.595 -4.408 1.00 0.00 N ATOM 812 CA ARG B 30 1.713 -8.909 -3.323 1.00 0.00 C ATOM 813 C ARG B 30 1.793 -7.410 -3.548 1.00 0.00 C ATOM 814 O ARG B 30 1.536 -6.911 -4.637 1.00 0.00 O ATOM 815 CB ARG B 30 3.125 -9.482 -3.157 1.00 0.00 C ATOM 816 CG ARG B 30 4.123 -8.958 -4.178 1.00 0.00 C ATOM 817 CD ARG B 30 5.325 -9.873 -4.310 1.00 0.00 C ATOM 818 NE ARG B 30 5.132 -10.874 -5.355 1.00 0.00 N ATOM 819 CZ ARG B 30 6.098 -11.312 -6.156 1.00 0.00 C ATOM 820 NH1 ARG B 30 7.328 -10.829 -6.053 1.00 0.00 N ATOM 821 NH2 ARG B 30 5.837 -12.233 -7.070 1.00 0.00 N ATOM 0 H ARG B 30 1.028 -9.105 -5.302 1.00 0.00 H new ATOM 0 HA ARG B 30 1.131 -9.073 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.487 -9.248 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.078 -10.568 -3.233 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.634 -8.858 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.455 -7.962 -3.884 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.211 -9.279 -4.535 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.508 -10.372 -3.358 1.00 0.00 H new ATOM 0 HE ARG B 30 4.197 -11.262 -5.478 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.539 -10.116 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.064 -11.171 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG B 30 4.893 -12.608 -7.161 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.580 -12.568 -7.684 1.00 0.00 H new ATOM 835 N ILE B 31 2.140 -6.699 -2.493 1.00 0.00 N ATOM 836 CA ILE B 31 2.295 -5.262 -2.553 1.00 0.00 C ATOM 837 C ILE B 31 3.765 -4.922 -2.334 1.00 0.00 C ATOM 838 O ILE B 31 4.434 -5.553 -1.510 1.00 0.00 O ATOM 839 CB ILE B 31 1.405 -4.549 -1.506 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.452 -3.033 -1.702 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.826 -4.920 -0.089 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.397 -2.286 -0.915 1.00 0.00 C ATOM 0 H ILE B 31 2.322 -7.101 -1.573 1.00 0.00 H new ATOM 0 HA ILE B 31 1.974 -4.909 -3.533 1.00 0.00 H new ATOM 0 HB ILE B 31 0.378 -4.884 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.437 -2.668 -1.410 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.330 -2.808 -2.762 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.185 -4.406 0.627 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.732 -5.997 0.048 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.862 -4.623 0.072 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.492 -1.217 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.593 -2.623 -1.223 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.531 -2.480 0.149 1.00 0.00 H new ATOM 854 N ALA B 32 4.280 -3.965 -3.086 1.00 0.00 N ATOM 855 CA ALA B 32 5.675 -3.588 -2.958 1.00 0.00 C ATOM 856 C ALA B 32 5.853 -2.078 -2.983 1.00 0.00 C ATOM 857 O ALA B 32 5.039 -1.354 -3.554 1.00 0.00 O ATOM 858 CB ALA B 32 6.494 -4.235 -4.063 1.00 0.00 C ATOM 0 H ALA B 32 3.757 -3.439 -3.786 1.00 0.00 H new ATOM 0 HA ALA B 32 6.030 -3.945 -1.991 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.540 -3.946 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.409 -5.319 -3.992 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.122 -3.905 -5.033 1.00 0.00 H new ATOM 864 N TRP B 33 6.917 -1.610 -2.356 1.00 0.00 N ATOM 865 CA TRP B 33 7.217 -0.191 -2.314 1.00 0.00 C ATOM 866 C TRP B 33 8.725 0.016 -2.415 1.00 0.00 C ATOM 867 O TRP B 33 9.509 -0.816 -1.947 1.00 0.00 O ATOM 868 CB TRP B 33 6.656 0.445 -1.031 1.00 0.00 C ATOM 869 CG TRP B 33 6.839 1.934 -0.974 1.00 0.00 C ATOM 870 CD1 TRP B 33 5.975 2.896 -1.415 1.00 0.00 C ATOM 871 CD2 TRP B 33 7.966 2.628 -0.442 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.512 4.138 -1.213 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.729 4.000 -0.614 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.154 2.222 0.159 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.637 4.966 -0.214 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.056 3.181 0.559 1.00 0.00 C ATOM 877 CH2 TRP B 33 9.796 4.542 0.370 1.00 0.00 C ATOM 0 H TRP B 33 7.592 -2.197 -1.866 1.00 0.00 H new ATOM 0 HA TRP B 33 6.739 0.301 -3.161 1.00 0.00 H new ATOM 0 HB2 TRP B 33 5.594 0.214 -0.954 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.144 -0.007 -0.167 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.009 2.704 -1.858 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.074 5.023 -1.469 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.364 1.173 0.309 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.436 6.017 -0.359 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 10.981 2.877 1.027 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.525 5.271 0.692 1.00 0.00 H new ATOM 888 N ALA B 34 9.119 1.116 -3.037 1.00 0.00 N ATOM 889 CA ALA B 34 10.520 1.449 -3.226 1.00 0.00 C ATOM 890 C ALA B 34 10.701 2.954 -3.144 1.00 0.00 C ATOM 891 O ALA B 34 9.928 3.699 -3.740 1.00 0.00 O ATOM 892 CB ALA B 34 11.021 0.924 -4.564 1.00 0.00 C ATOM 0 H ALA B 34 8.474 1.804 -3.426 1.00 0.00 H new ATOM 0 HA ALA B 34 11.106 0.976 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.072 1.184 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.909 -0.160 -4.595 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.441 1.371 -5.371 1.00 0.00 H new ATOM 898 N PRO B 35 11.699 3.423 -2.389 1.00 0.00 N ATOM 899 CA PRO B 35 11.956 4.855 -2.241 1.00 0.00 C ATOM 900 C PRO B 35 12.485 5.490 -3.526 1.00 0.00 C ATOM 901 O PRO B 35 13.172 4.836 -4.316 1.00 0.00 O ATOM 902 CB PRO B 35 12.998 4.923 -1.124 1.00 0.00 C ATOM 903 CG PRO B 35 13.650 3.580 -1.098 1.00 0.00 C ATOM 904 CD PRO B 35 12.643 2.594 -1.621 1.00 0.00 C ATOM 0 HA PRO B 35 11.045 5.410 -2.015 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.728 5.709 -1.317 1.00 0.00 H new ATOM 0 HB3 PRO B 35 12.531 5.150 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.550 3.576 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO B 35 13.956 3.319 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.114 1.838 -2.250 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.142 2.066 -0.809 1.00 0.00 H new ATOM 992 N PHE B 41 13.458 -2.500 -4.249 1.00 0.00 N ATOM 993 CA PHE B 41 12.285 -2.370 -3.394 1.00 0.00 C ATOM 994 C PHE B 41 12.652 -2.653 -1.943 1.00 0.00 C ATOM 995 O PHE B 41 13.504 -3.495 -1.663 1.00 0.00 O ATOM 996 CB PHE B 41 11.186 -3.343 -3.840 1.00 0.00 C ATOM 997 CG PHE B 41 10.788 -3.203 -5.284 1.00 0.00 C ATOM 998 CD1 PHE B 41 11.446 -3.919 -6.273 1.00 0.00 C ATOM 999 CD2 PHE B 41 9.753 -2.360 -5.650 1.00 0.00 C ATOM 1000 CE1 PHE B 41 11.080 -3.795 -7.599 1.00 0.00 C ATOM 1001 CE2 PHE B 41 9.381 -2.233 -6.975 1.00 0.00 C ATOM 1002 CZ PHE B 41 10.046 -2.950 -7.951 1.00 0.00 C ATOM 0 HA PHE B 41 11.915 -1.348 -3.478 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.527 -4.363 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.306 -3.190 -3.216 1.00 0.00 H new ATOM 0 HD1 PHE B 41 12.255 -4.582 -6.003 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.230 -1.795 -4.892 1.00 0.00 H new ATOM 0 HE1 PHE B 41 11.601 -4.358 -8.359 1.00 0.00 H new ATOM 0 HE2 PHE B 41 8.570 -1.573 -7.247 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.758 -2.850 -8.987 1.00 0.00 H new ATOM 1012 N THR B 42 12.008 -1.951 -1.029 1.00 0.00 N ATOM 1013 CA THR B 42 12.273 -2.128 0.388 1.00 0.00 C ATOM 1014 C THR B 42 11.113 -2.832 1.079 1.00 0.00 C ATOM 1015 O THR B 42 11.249 -3.333 2.193 1.00 0.00 O ATOM 1016 CB THR B 42 12.508 -0.772 1.069 1.00 0.00 C ATOM 1017 OG1 THR B 42 11.570 0.192 0.570 1.00 0.00 O ATOM 1018 CG2 THR B 42 13.921 -0.279 0.818 1.00 0.00 C ATOM 0 H THR B 42 11.297 -1.252 -1.242 1.00 0.00 H new ATOM 0 HA THR B 42 13.169 -2.742 0.477 1.00 0.00 H new ATOM 0 HB THR B 42 12.369 -0.900 2.142 1.00 0.00 H new ATOM 0 HG1 THR B 42 11.497 0.936 1.204 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.064 0.683 1.310 1.00 0.00 H new ATOM 0 HG22 THR B 42 14.634 -1.000 1.217 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.082 -0.165 -0.254 1.00 0.00 H new ATOM 1026 N ILE B 43 9.975 -2.871 0.405 1.00 0.00 N ATOM 1027 CA ILE B 43 8.787 -3.488 0.964 1.00 0.00 C ATOM 1028 C ILE B 43 8.166 -4.487 -0.007 1.00 0.00 C ATOM 1029 O ILE B 43 7.974 -4.186 -1.184 1.00 0.00 O ATOM 1030 CB ILE B 43 7.756 -2.399 1.346 1.00 0.00 C ATOM 1031 CG1 ILE B 43 8.070 -1.843 2.735 1.00 0.00 C ATOM 1032 CG2 ILE B 43 6.327 -2.930 1.293 1.00 0.00 C ATOM 1033 CD1 ILE B 43 7.293 -0.591 3.073 1.00 0.00 C ATOM 0 H ILE B 43 9.851 -2.482 -0.530 1.00 0.00 H new ATOM 0 HA ILE B 43 9.081 -4.036 1.859 1.00 0.00 H new ATOM 0 HB ILE B 43 7.832 -1.595 0.614 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.854 -2.608 3.481 1.00 0.00 H new ATOM 0 HG13 ILE B 43 9.137 -1.628 2.799 1.00 0.00 H new ATOM 0 HG21 ILE B 43 5.633 -2.135 1.568 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.104 -3.274 0.283 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.222 -3.761 1.990 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.566 -0.252 4.072 1.00 0.00 H new ATOM 0 HD12 ILE B 43 7.527 0.189 2.349 1.00 0.00 H new ATOM 0 HD13 ILE B 43 6.225 -0.806 3.042 1.00 0.00 H new ATOM 1045 N SER B 44 7.900 -5.683 0.498 1.00 0.00 N ATOM 1046 CA SER B 44 7.280 -6.750 -0.274 1.00 0.00 C ATOM 1047 C SER B 44 6.423 -7.591 0.670 1.00 0.00 C ATOM 1048 O SER B 44 6.956 -8.241 1.569 1.00 0.00 O ATOM 1049 CB SER B 44 8.350 -7.617 -0.946 1.00 0.00 C ATOM 1050 OG SER B 44 7.766 -8.634 -1.746 1.00 0.00 O ATOM 0 H SER B 44 8.110 -5.942 1.462 1.00 0.00 H new ATOM 0 HA SER B 44 6.656 -6.325 -1.060 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.993 -6.990 -1.564 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.984 -8.071 -0.184 1.00 0.00 H new ATOM 0 HG SER B 44 8.473 -9.169 -2.163 1.00 0.00 H new ATOM 1056 N HIS B 45 5.109 -7.583 0.481 1.00 0.00 N ATOM 1057 CA HIS B 45 4.218 -8.330 1.352 1.00 0.00 C ATOM 1058 C HIS B 45 3.160 -9.014 0.524 1.00 0.00 C ATOM 1059 O HIS B 45 2.471 -8.371 -0.271 1.00 0.00 O ATOM 1060 CB HIS B 45 3.545 -7.410 2.385 1.00 0.00 C ATOM 1061 CG HIS B 45 4.498 -6.583 3.197 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.447 -7.110 4.046 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.641 -5.234 3.270 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.120 -6.090 4.596 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.670 -4.930 4.156 1.00 0.00 N ATOM 0 H HIS B 45 4.641 -7.069 -0.265 1.00 0.00 H new ATOM 0 HA HIS B 45 4.810 -9.071 1.889 1.00 0.00 H new ATOM 0 HB2 HIS B 45 2.857 -6.743 1.865 1.00 0.00 H new ATOM 0 HB3 HIS B 45 2.947 -8.021 3.061 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.050 -4.512 2.726 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.925 -6.203 5.307 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.007 -4.002 4.412 1.00 0.00 H new ATOM 1073 N MET B 46 3.042 -10.314 0.693 1.00 0.00 N ATOM 1074 CA MET B 46 2.059 -11.080 -0.034 1.00 0.00 C ATOM 1075 C MET B 46 0.692 -10.830 0.574 1.00 0.00 C ATOM 1076 O MET B 46 0.568 -10.676 1.788 1.00 0.00 O ATOM 1077 CB MET B 46 2.404 -12.566 0.021 1.00 0.00 C ATOM 1078 CG MET B 46 3.426 -13.008 -1.013 1.00 0.00 C ATOM 1079 SD MET B 46 2.684 -13.382 -2.611 1.00 0.00 S ATOM 1080 CE MET B 46 4.126 -13.878 -3.549 1.00 0.00 C ATOM 0 H MET B 46 3.619 -10.862 1.331 1.00 0.00 H new ATOM 0 HA MET B 46 2.052 -10.771 -1.079 1.00 0.00 H new ATOM 0 HB2 MET B 46 2.784 -12.803 1.015 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.491 -13.145 -0.117 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.172 -12.223 -1.139 1.00 0.00 H new ATOM 0 HG3 MET B 46 3.950 -13.890 -0.645 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.827 -14.141 -4.564 1.00 0.00 H new ATOM 0 HE2 MET B 46 4.839 -13.054 -3.583 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.591 -14.741 -3.073 1.00 0.00 H new ATOM 1090 N TYR B 47 -0.320 -10.748 -0.268 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.691 -10.520 0.195 1.00 0.00 C ATOM 1092 C TYR B 47 -2.108 -11.557 1.242 1.00 0.00 C ATOM 1093 O TYR B 47 -2.978 -11.299 2.073 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.661 -10.509 -0.986 1.00 0.00 C ATOM 1095 CG TYR B 47 -2.378 -9.393 -1.967 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.954 -8.145 -1.524 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -2.516 -9.589 -3.331 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.676 -7.130 -2.414 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -2.243 -8.574 -4.228 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.822 -7.348 -3.763 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.539 -6.339 -4.653 1.00 0.00 O ATOM 0 H TYR B 47 -0.227 -10.835 -1.280 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.725 -9.542 0.675 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.605 -11.466 -1.505 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.680 -10.408 -0.612 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.841 -7.968 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.842 -10.550 -3.699 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.345 -6.168 -2.053 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.359 -8.741 -5.289 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.281 -6.726 -5.515 1.00 0.00 H new ATOM 1111 N ALA B 48 -1.495 -12.731 1.196 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.772 -13.770 2.175 1.00 0.00 C ATOM 1113 C ALA B 48 -1.242 -13.357 3.550 1.00 0.00 C ATOM 1114 O ALA B 48 -1.909 -13.568 4.564 1.00 0.00 O ATOM 1115 CB ALA B 48 -1.155 -15.092 1.750 1.00 0.00 C ATOM 0 H ALA B 48 -0.803 -12.987 0.492 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.852 -13.901 2.237 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -1.376 -15.854 2.498 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.571 -15.396 0.789 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.075 -14.976 1.657 1.00 0.00 H new ATOM 1121 N ASP B 49 -0.055 -12.742 3.569 1.00 0.00 N ATOM 1122 CA ASP B 49 0.573 -12.293 4.817 1.00 0.00 C ATOM 1123 C ASP B 49 -0.124 -11.051 5.347 1.00 0.00 C ATOM 1124 O ASP B 49 0.015 -10.699 6.517 1.00 0.00 O ATOM 1125 CB ASP B 49 2.065 -11.965 4.634 1.00 0.00 C ATOM 1126 CG ASP B 49 2.759 -12.775 3.555 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.518 -13.997 3.468 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.548 -12.176 2.788 1.00 0.00 O ATOM 0 H ASP B 49 0.492 -12.543 2.731 1.00 0.00 H new ATOM 0 HA ASP B 49 0.478 -13.118 5.523 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.165 -10.906 4.396 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.579 -12.129 5.581 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.839 -10.367 4.475 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.579 -9.181 4.862 1.00 0.00 C ATOM 1135 C ILE B 50 -2.921 -9.601 5.444 1.00 0.00 C ATOM 1136 O ILE B 50 -3.819 -10.018 4.718 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.795 -8.245 3.663 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.451 -7.730 3.145 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.706 -7.084 4.040 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.499 -7.231 1.720 1.00 0.00 C ATOM 0 H ILE B 50 -0.923 -10.614 3.489 1.00 0.00 H new ATOM 0 HA ILE B 50 -1.003 -8.636 5.610 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.281 -8.810 2.868 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.108 -6.922 3.792 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.286 -8.530 3.216 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.845 -6.435 3.176 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.673 -7.470 4.362 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.253 -6.515 4.852 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.490 -6.882 1.423 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.811 -8.041 1.061 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.211 -6.409 1.646 1.00 0.00 H new ATOM 1152 N LYS B 51 -3.039 -9.509 6.755 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.249 -9.916 7.451 1.00 0.00 C ATOM 1154 C LYS B 51 -5.393 -8.926 7.242 1.00 0.00 C ATOM 1155 O LYS B 51 -6.487 -9.328 6.855 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.953 -10.092 8.946 1.00 0.00 C ATOM 1157 CG LYS B 51 -5.173 -10.409 9.796 1.00 0.00 C ATOM 1158 CD LYS B 51 -5.079 -9.756 11.167 1.00 0.00 C ATOM 1159 CE LYS B 51 -6.250 -10.153 12.052 1.00 0.00 C ATOM 1160 NZ LYS B 51 -6.598 -9.089 13.032 1.00 0.00 N ATOM 0 H LYS B 51 -2.304 -9.152 7.366 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.572 -10.868 7.031 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -3.223 -10.892 9.067 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.491 -9.179 9.322 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -6.073 -10.063 9.287 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -5.267 -11.489 9.911 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -4.144 -10.046 11.646 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -5.057 -8.672 11.055 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -7.118 -10.369 11.429 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -6.005 -11.071 12.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -7.401 -9.402 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.779 -8.900 13.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -6.857 -8.220 12.523 1.00 0.00 H new ATOM 1174 N CYS B 52 -5.137 -7.642 7.468 1.00 0.00 N ATOM 1175 CA CYS B 52 -6.190 -6.628 7.331 1.00 0.00 C ATOM 1176 C CYS B 52 -5.672 -5.345 6.695 1.00 0.00 C ATOM 1177 O CYS B 52 -4.489 -5.243 6.365 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.796 -6.320 8.702 1.00 0.00 C ATOM 1179 SG CYS B 52 -7.348 -7.785 9.586 1.00 0.00 S ATOM 0 H CYS B 52 -4.225 -7.277 7.743 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.955 -7.036 6.670 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.057 -5.796 9.308 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.640 -5.643 8.574 1.00 0.00 H new ATOM 0 HG CYS B 52 -8.407 -8.268 9.007 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.553 -4.355 6.542 1.00 0.00 N ATOM 1186 CA GLN B 53 -6.174 -3.088 5.941 1.00 0.00 C ATOM 1187 C GLN B 53 -6.953 -1.937 6.555 1.00 0.00 C ATOM 1188 O GLN B 53 -8.127 -2.081 6.905 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.401 -3.102 4.426 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.797 -3.523 3.994 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.966 -3.476 2.487 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -7.680 -4.444 1.789 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.433 -2.354 1.971 1.00 0.00 N ATOM 0 H GLN B 53 -7.531 -4.412 6.827 1.00 0.00 H new ATOM 0 HA GLN B 53 -5.112 -2.945 6.138 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -6.200 -2.105 4.033 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.676 -3.777 3.970 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.997 -4.534 4.349 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.533 -2.869 4.462 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.661 -1.568 2.580 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.566 -2.273 0.963 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.285 -0.810 6.721 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.919 0.376 7.249 1.00 0.00 C ATOM 1204 C LYS B 54 -6.786 1.507 6.248 1.00 0.00 C ATOM 1205 O LYS B 54 -6.019 1.415 5.290 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.267 0.880 8.531 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.603 -0.124 9.444 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.167 0.614 10.709 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.150 -0.255 11.948 1.00 0.00 C ATOM 1210 NZ LYS B 54 -5.352 0.549 13.182 1.00 0.00 N ATOM 0 H LYS B 54 -5.297 -0.695 6.495 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.954 0.099 7.449 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.518 1.621 8.253 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.031 1.400 9.109 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.293 -0.931 9.691 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.744 -0.579 8.951 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.170 1.027 10.552 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.838 1.456 10.877 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -5.931 -1.011 11.874 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.199 -0.784 12.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -5.813 -0.037 13.907 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.431 0.878 13.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -5.954 1.370 12.967 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.485 2.600 6.514 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.399 3.787 5.645 1.00 0.00 C ATOM 1226 C ILE B 55 -7.424 5.095 6.439 1.00 0.00 C ATOM 1227 O ILE B 55 -8.370 5.361 7.178 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.502 3.841 4.574 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.822 3.294 5.099 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.072 3.083 3.336 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.821 3.061 3.994 1.00 0.00 C ATOM 0 H ILE B 55 -8.113 2.700 7.311 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.437 3.685 5.144 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.659 4.888 4.313 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.641 2.358 5.627 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -10.240 3.993 5.824 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.863 3.130 2.587 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.163 3.530 2.933 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -7.880 2.042 3.595 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.747 2.671 4.417 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -11.024 4.002 3.483 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.415 2.342 3.283 1.00 0.00 H new ATOM 1243 N SER B 56 -6.348 5.887 6.322 1.00 0.00 N ATOM 1244 CA SER B 56 -6.269 7.173 7.007 1.00 0.00 C ATOM 1245 C SER B 56 -7.037 8.238 6.249 1.00 0.00 C ATOM 1246 O SER B 56 -6.661 8.589 5.118 1.00 0.00 O ATOM 1247 CB SER B 56 -4.831 7.627 7.169 1.00 0.00 C ATOM 1248 OG SER B 56 -4.248 7.062 8.323 1.00 0.00 O ATOM 0 H SER B 56 -5.528 5.656 5.761 1.00 0.00 H new ATOM 0 HA SER B 56 -6.712 7.035 7.993 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.255 7.341 6.289 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.795 8.714 7.234 1.00 0.00 H new ATOM 0 HG SER B 56 -4.112 6.102 8.184 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.063 8.799 6.919 1.00 0.00 N ATOM 1255 CA PRO B 57 -8.973 9.816 6.369 1.00 0.00 C ATOM 1256 C PRO B 57 -8.326 11.173 6.097 1.00 0.00 C ATOM 1257 O PRO B 57 -7.174 11.425 6.478 1.00 0.00 O ATOM 1258 CB PRO B 57 -9.995 10.017 7.477 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.283 9.627 8.718 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.408 8.484 8.318 1.00 0.00 C ATOM 0 HA PRO B 57 -9.358 9.474 5.408 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.332 11.053 7.522 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.880 9.400 7.317 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.695 10.455 9.113 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -9.984 9.333 9.499 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.520 8.417 8.947 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -8.929 7.530 8.400 1.00 0.00 H new ATOM 1268 N GLU B 58 -9.105 12.044 5.462 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.687 13.407 5.168 1.00 0.00 C ATOM 1270 C GLU B 58 -8.750 14.234 6.447 1.00 0.00 C ATOM 1271 O GLU B 58 -9.479 13.888 7.378 1.00 0.00 O ATOM 1272 CB GLU B 58 -9.606 14.038 4.111 1.00 0.00 C ATOM 1273 CG GLU B 58 -9.181 13.781 2.675 1.00 0.00 C ATOM 1274 CD GLU B 58 -8.994 12.312 2.378 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -7.913 11.783 2.681 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -9.931 11.677 1.850 1.00 0.00 O ATOM 0 H GLU B 58 -10.046 11.822 5.137 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.669 13.388 4.780 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.617 13.656 4.252 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.646 15.114 4.278 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -9.931 14.192 1.999 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.249 14.310 2.476 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.984 15.309 6.504 1.00 0.00 N ATOM 1284 CA GLY B 59 -7.994 16.154 7.681 1.00 0.00 C ATOM 1285 C GLY B 59 -6.617 16.302 8.279 1.00 0.00 C ATOM 1286 O GLY B 59 -6.268 17.361 8.796 1.00 0.00 O ATOM 0 H GLY B 59 -7.356 15.613 5.760 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.383 17.138 7.418 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.670 15.732 8.425 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.835 15.235 8.212 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.479 15.257 8.737 1.00 0.00 C ATOM 1292 C LYS B 60 -3.555 15.928 7.734 1.00 0.00 C ATOM 1293 O LYS B 60 -3.996 16.375 6.674 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.967 13.840 9.016 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.918 12.968 9.820 1.00 0.00 C ATOM 1296 CD LYS B 60 -4.186 11.822 10.518 1.00 0.00 C ATOM 1297 CE LYS B 60 -3.584 10.810 9.544 1.00 0.00 C ATOM 1298 NZ LYS B 60 -4.118 10.967 8.159 1.00 0.00 N ATOM 0 H LYS B 60 -6.116 14.345 7.800 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.490 15.814 9.674 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -3.761 13.349 8.065 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.020 13.909 9.550 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.430 13.579 10.564 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -5.684 12.561 9.160 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.392 12.233 11.142 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.880 11.308 11.183 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.500 10.925 9.528 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -3.792 9.800 9.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -3.680 10.259 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -5.149 10.831 8.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -3.897 11.921 7.808 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.272 15.965 8.049 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.291 16.566 7.159 1.00 0.00 C ATOM 1314 C ALA B 61 -0.832 15.548 6.125 1.00 0.00 C ATOM 1315 O ALA B 61 0.149 15.763 5.414 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.107 17.095 7.954 1.00 0.00 C ATOM 0 H ALA B 61 -1.884 15.587 8.913 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.754 17.405 6.639 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.618 17.541 7.273 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.452 17.848 8.662 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.362 16.275 8.497 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.560 14.438 6.049 1.00 0.00 N ATOM 1323 CA LYS B 62 -1.242 13.366 5.123 1.00 0.00 C ATOM 1324 C LYS B 62 -2.411 12.396 4.978 1.00 0.00 C ATOM 1325 O LYS B 62 -3.296 12.333 5.840 1.00 0.00 O ATOM 1326 CB LYS B 62 0.009 12.606 5.582 1.00 0.00 C ATOM 1327 CG LYS B 62 0.050 12.290 7.071 1.00 0.00 C ATOM 1328 CD LYS B 62 1.317 11.528 7.435 1.00 0.00 C ATOM 1329 CE LYS B 62 1.581 11.550 8.933 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.761 10.723 9.306 1.00 0.00 N ATOM 0 H LYS B 62 -2.382 14.261 6.626 1.00 0.00 H new ATOM 0 HA LYS B 62 -1.046 13.819 4.151 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.075 11.672 5.024 1.00 0.00 H new ATOM 0 HB3 LYS B 62 0.890 13.194 5.325 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.002 13.216 7.644 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.824 11.700 7.345 1.00 0.00 H new ATOM 0 HD2 LYS B 62 1.230 10.495 7.097 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.167 11.964 6.910 1.00 0.00 H new ATOM 0 HE2 LYS B 62 1.742 12.578 9.257 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.701 11.184 9.461 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 2.904 10.767 10.335 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.598 9.736 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 3.607 11.087 8.823 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.417 11.679 3.859 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.429 10.669 3.557 1.00 0.00 C ATOM 1346 C ILE B 63 -2.734 9.309 3.575 1.00 0.00 C ATOM 1347 O ILE B 63 -1.665 9.174 2.982 1.00 0.00 O ATOM 1348 CB ILE B 63 -4.065 10.914 2.166 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.855 12.229 2.154 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.961 9.754 1.767 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -4.031 13.441 1.765 1.00 0.00 C ATOM 0 H ILE B 63 -1.713 11.783 3.128 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.230 10.714 4.295 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.258 10.989 1.437 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.690 12.133 1.460 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.280 12.394 3.144 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.395 9.950 0.787 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.373 8.837 1.726 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.759 9.641 2.501 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.662 14.330 1.780 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.211 13.566 2.472 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.627 13.300 0.762 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.294 8.290 4.240 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.565 7.012 4.299 1.00 0.00 C ATOM 1365 C GLN B 64 -3.425 5.771 4.081 1.00 0.00 C ATOM 1366 O GLN B 64 -4.648 5.794 4.205 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.836 6.844 5.647 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.972 8.017 6.071 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.722 8.979 6.967 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -2.392 9.882 6.502 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -1.633 8.778 8.263 1.00 0.00 N ATOM 0 H GLN B 64 -4.194 8.315 4.719 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.862 7.077 3.469 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.580 6.664 6.423 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.209 5.954 5.593 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -0.090 7.647 6.594 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.619 8.546 5.186 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -1.063 8.012 8.622 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.134 9.388 8.909 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.721 4.686 3.774 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.285 3.355 3.570 1.00 0.00 C ATOM 1382 C LEU B 65 -2.358 2.364 4.264 1.00 0.00 C ATOM 1383 O LEU B 65 -1.195 2.277 3.899 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.319 2.997 2.093 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.340 1.933 1.703 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.638 2.571 1.288 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.778 1.048 0.611 1.00 0.00 C ATOM 0 H LEU B 65 -1.708 4.709 3.656 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.301 3.328 3.964 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.526 3.902 1.521 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.328 2.652 1.797 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.548 1.305 2.570 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.353 1.796 1.014 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.037 3.156 2.117 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.465 3.224 0.433 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.515 0.292 0.340 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.542 1.654 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.872 0.559 0.969 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.828 1.618 5.244 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.933 0.698 5.934 1.00 0.00 C ATOM 1401 C GLN B 66 -2.481 -0.711 5.957 1.00 0.00 C ATOM 1402 O GLN B 66 -3.693 -0.925 5.957 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.626 1.172 7.359 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.682 0.794 8.369 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.102 0.246 9.656 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.719 -0.917 9.721 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.083 1.065 10.703 1.00 0.00 N ATOM 0 H GLN B 66 -3.792 1.625 5.576 1.00 0.00 H new ATOM 0 HA GLN B 66 -1.001 0.688 5.368 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.670 0.753 7.673 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.513 2.256 7.355 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.290 1.670 8.595 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.346 0.049 7.930 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.411 2.026 10.605 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.740 0.733 11.604 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.572 -1.663 5.978 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.933 -3.061 5.997 1.00 0.00 C ATOM 1418 C LEU B 67 -1.466 -3.720 7.285 1.00 0.00 C ATOM 1419 O LEU B 67 -0.321 -3.551 7.703 1.00 0.00 O ATOM 1420 CB LEU B 67 -1.317 -3.771 4.793 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.559 -3.080 3.452 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.614 -3.620 2.395 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -3.005 -3.255 3.013 1.00 0.00 C ATOM 0 H LEU B 67 -0.567 -1.489 5.982 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.019 -3.140 5.945 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -0.242 -3.860 4.952 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.717 -4.784 4.742 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.364 -2.015 3.576 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.802 -3.116 1.447 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.416 -3.442 2.703 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.777 -4.691 2.274 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -3.158 -2.756 2.056 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -3.227 -4.317 2.908 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.667 -2.818 3.760 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.372 -4.448 7.910 1.00 0.00 N ATOM 1436 CA VAL B 68 -2.077 -5.170 9.138 1.00 0.00 C ATOM 1437 C VAL B 68 -1.645 -6.571 8.754 1.00 0.00 C ATOM 1438 O VAL B 68 -2.464 -7.372 8.316 1.00 0.00 O ATOM 1439 CB VAL B 68 -3.307 -5.243 10.069 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.977 -5.985 11.357 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.833 -3.847 10.373 1.00 0.00 C ATOM 0 H VAL B 68 -3.332 -4.557 7.583 1.00 0.00 H new ATOM 0 HA VAL B 68 -1.291 -4.647 9.682 1.00 0.00 H new ATOM 0 HB VAL B 68 -4.088 -5.801 9.551 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.861 -6.021 11.993 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.659 -7.000 11.121 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -2.174 -5.466 11.881 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.700 -3.920 11.030 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -3.054 -3.263 10.863 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -4.123 -3.357 9.443 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.369 -6.866 8.900 1.00 0.00 N ATOM 1452 CA LEU B 69 0.140 -8.166 8.499 1.00 0.00 C ATOM 1453 C LEU B 69 0.017 -9.205 9.607 1.00 0.00 C ATOM 1454 O LEU B 69 -0.116 -8.869 10.782 1.00 0.00 O ATOM 1455 CB LEU B 69 1.593 -8.057 8.050 1.00 0.00 C ATOM 1456 CG LEU B 69 1.991 -6.714 7.431 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.496 -6.641 7.239 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.279 -6.496 6.106 1.00 0.00 C ATOM 0 H LEU B 69 0.329 -6.232 9.289 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.475 -8.501 7.664 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.236 -8.246 8.909 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.791 -8.845 7.324 1.00 0.00 H new ATOM 0 HG LEU B 69 1.688 -5.923 8.117 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.760 -5.680 6.798 1.00 0.00 H new ATOM 0 HD12 LEU B 69 3.991 -6.746 8.204 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.818 -7.445 6.577 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.578 -5.536 5.686 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.547 -7.294 5.413 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.201 -6.502 6.267 1.00 0.00 H new ATOM 1470 N HIS B 70 0.072 -10.473 9.204 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.026 -11.608 10.131 1.00 0.00 C ATOM 1472 C HIS B 70 1.114 -11.609 11.147 1.00 0.00 C ATOM 1473 O HIS B 70 1.013 -12.226 12.203 1.00 0.00 O ATOM 1474 CB HIS B 70 -0.003 -12.936 9.364 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.254 -13.222 8.597 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.951 -12.437 7.746 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -1.926 -14.421 8.638 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -3.045 -13.138 7.262 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -2.983 -14.322 7.825 1.00 0.00 N flip ATOM 0 H HIS B 70 0.186 -10.746 8.228 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.971 -11.501 10.663 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.840 -12.929 8.673 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.170 -13.748 10.070 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.710 -11.477 7.498 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -1.650 -15.287 9.222 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.792 -12.784 6.567 1.00 0.00 H new ATOM 1487 N ALA B 71 2.200 -10.923 10.817 1.00 0.00 N ATOM 1488 CA ALA B 71 3.357 -10.856 11.698 1.00 0.00 C ATOM 1489 C ALA B 71 3.149 -9.834 12.811 1.00 0.00 C ATOM 1490 O ALA B 71 3.998 -9.681 13.687 1.00 0.00 O ATOM 1491 CB ALA B 71 4.605 -10.518 10.896 1.00 0.00 C ATOM 0 H ALA B 71 2.303 -10.405 9.945 1.00 0.00 H new ATOM 0 HA ALA B 71 3.485 -11.833 12.163 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.465 -10.470 11.564 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.773 -11.288 10.143 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.472 -9.554 10.406 1.00 0.00 H new ATOM 1497 N GLY B 72 2.021 -9.135 12.770 1.00 0.00 N ATOM 1498 CA GLY B 72 1.731 -8.134 13.777 1.00 0.00 C ATOM 1499 C GLY B 72 2.248 -6.771 13.375 1.00 0.00 C ATOM 1500 O GLY B 72 1.948 -5.766 14.017 1.00 0.00 O ATOM 0 H GLY B 72 1.301 -9.244 12.056 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.654 -8.082 13.939 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.182 -8.429 14.724 1.00 0.00 H new ATOM 1504 N ASP B 73 3.029 -6.748 12.305 1.00 0.00 N ATOM 1505 CA ASP B 73 3.600 -5.513 11.789 1.00 0.00 C ATOM 1506 C ASP B 73 2.569 -4.779 10.941 1.00 0.00 C ATOM 1507 O ASP B 73 1.655 -5.400 10.386 1.00 0.00 O ATOM 1508 CB ASP B 73 4.854 -5.816 10.963 1.00 0.00 C ATOM 1509 CG ASP B 73 5.427 -4.581 10.295 1.00 0.00 C ATOM 1510 OD1 ASP B 73 5.715 -3.600 11.011 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.574 -4.591 9.056 1.00 0.00 O ATOM 0 H ASP B 73 3.284 -7.580 11.773 1.00 0.00 H new ATOM 0 HA ASP B 73 3.883 -4.875 12.626 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.612 -6.259 11.609 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.612 -6.557 10.201 1.00 0.00 H new ATOM 1516 N THR B 74 2.707 -3.468 10.849 1.00 0.00 N ATOM 1517 CA THR B 74 1.781 -2.664 10.077 1.00 0.00 C ATOM 1518 C THR B 74 2.536 -1.754 9.116 1.00 0.00 C ATOM 1519 O THR B 74 3.480 -1.066 9.507 1.00 0.00 O ATOM 1520 CB THR B 74 0.895 -1.810 11.006 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.717 -1.049 11.901 1.00 0.00 O ATOM 1522 CG2 THR B 74 -0.055 -2.686 11.812 1.00 0.00 C ATOM 0 H THR B 74 3.453 -2.939 11.301 1.00 0.00 H new ATOM 0 HA THR B 74 1.146 -3.340 9.505 1.00 0.00 H new ATOM 0 HB THR B 74 0.305 -1.136 10.385 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.563 -0.827 11.459 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.668 -2.058 12.459 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.699 -3.245 11.133 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.521 -3.382 12.422 1.00 0.00 H new ATOM 1530 N THR B 75 2.105 -1.737 7.867 1.00 0.00 N ATOM 1531 CA THR B 75 2.741 -0.917 6.850 1.00 0.00 C ATOM 1532 C THR B 75 1.826 0.230 6.432 1.00 0.00 C ATOM 1533 O THR B 75 0.902 0.028 5.645 1.00 0.00 O ATOM 1534 CB THR B 75 3.083 -1.767 5.614 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.320 -3.125 6.011 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.306 -1.221 4.898 1.00 0.00 C ATOM 0 H THR B 75 1.313 -2.285 7.531 1.00 0.00 H new ATOM 0 HA THR B 75 3.657 -0.507 7.274 1.00 0.00 H new ATOM 0 HB THR B 75 2.238 -1.728 4.927 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.004 -3.521 5.431 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.525 -1.841 4.028 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.112 -0.198 4.575 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.160 -1.232 5.576 1.00 0.00 H new ATOM 1544 N ASN B 76 2.064 1.429 6.964 1.00 0.00 N ATOM 1545 CA ASN B 76 1.232 2.580 6.626 1.00 0.00 C ATOM 1546 C ASN B 76 1.843 3.326 5.445 1.00 0.00 C ATOM 1547 O ASN B 76 2.975 3.800 5.517 1.00 0.00 O ATOM 1548 CB ASN B 76 1.062 3.544 7.819 1.00 0.00 C ATOM 1549 CG ASN B 76 1.153 2.865 9.176 1.00 0.00 C ATOM 1550 OD1 ASN B 76 2.214 2.392 9.575 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.052 2.845 9.907 1.00 0.00 N ATOM 0 H ASN B 76 2.817 1.626 7.623 1.00 0.00 H new ATOM 0 HA ASN B 76 0.243 2.206 6.362 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.826 4.319 7.759 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.096 4.042 7.737 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.065 2.426 10.837 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.811 3.248 9.541 1.00 0.00 H new ATOM 1558 N PHE B 77 1.094 3.403 4.358 1.00 0.00 N ATOM 1559 CA PHE B 77 1.543 4.085 3.153 1.00 0.00 C ATOM 1560 C PHE B 77 1.001 5.504 3.110 1.00 0.00 C ATOM 1561 O PHE B 77 -0.210 5.716 3.061 1.00 0.00 O ATOM 1562 CB PHE B 77 1.117 3.310 1.909 1.00 0.00 C ATOM 1563 CG PHE B 77 2.009 2.138 1.632 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.364 2.329 1.416 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.504 0.849 1.602 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.197 1.259 1.172 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.335 -0.226 1.355 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.683 -0.022 1.142 1.00 0.00 C ATOM 0 H PHE B 77 0.161 2.997 4.284 1.00 0.00 H new ATOM 0 HA PHE B 77 2.632 4.134 3.171 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.092 2.961 2.035 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.123 3.979 1.048 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.772 3.329 1.439 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.451 0.683 1.773 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.251 1.422 1.004 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.930 -1.227 1.329 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.334 -0.862 0.952 1.00 0.00 H new ATOM 1578 N HIS B 78 1.909 6.462 3.132 1.00 0.00 N ATOM 1579 CA HIS B 78 1.563 7.874 3.123 1.00 0.00 C ATOM 1580 C HIS B 78 1.554 8.422 1.697 1.00 0.00 C ATOM 1581 O HIS B 78 2.576 8.449 1.022 1.00 0.00 O ATOM 1582 CB HIS B 78 2.579 8.618 4.013 1.00 0.00 C ATOM 1583 CG HIS B 78 2.608 10.122 3.905 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.550 10.896 4.543 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.827 10.990 3.211 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.324 12.173 4.225 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.288 12.287 3.415 1.00 0.00 N ATOM 0 H HIS B 78 2.913 6.283 3.157 1.00 0.00 H new ATOM 0 HA HIS B 78 0.558 8.021 3.518 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.376 8.356 5.051 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.575 8.242 3.778 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.981 10.717 2.597 1.00 0.00 H new ATOM 0 HE1 HIS B 78 3.912 13.005 4.584 1.00 0.00 H new ATOM 0 HE2 HIS B 78 1.905 13.146 3.021 1.00 0.00 H new ATOM 1595 N PHE B 79 0.393 8.852 1.240 1.00 0.00 N ATOM 1596 CA PHE B 79 0.269 9.422 -0.091 1.00 0.00 C ATOM 1597 C PHE B 79 0.488 10.925 -0.008 1.00 0.00 C ATOM 1598 O PHE B 79 -0.355 11.652 0.518 1.00 0.00 O ATOM 1599 CB PHE B 79 -1.107 9.132 -0.682 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.348 7.685 -0.994 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -0.802 7.105 -2.128 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -2.135 6.909 -0.163 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.042 5.777 -2.427 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -2.373 5.582 -0.456 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.829 5.016 -1.589 1.00 0.00 C ATOM 0 H PHE B 79 -0.478 8.818 1.769 1.00 0.00 H new ATOM 0 HA PHE B 79 1.019 8.970 -0.741 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.870 9.474 0.017 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.228 9.714 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -0.182 7.697 -2.785 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -2.568 7.346 0.725 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -0.614 5.336 -3.315 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -2.986 4.986 0.203 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.019 3.978 -1.820 1.00 0.00 H new ATOM 1615 N SER B 80 1.620 11.392 -0.509 1.00 0.00 N ATOM 1616 CA SER B 80 1.926 12.812 -0.455 1.00 0.00 C ATOM 1617 C SER B 80 1.706 13.490 -1.800 1.00 0.00 C ATOM 1618 O SER B 80 2.244 14.566 -2.058 1.00 0.00 O ATOM 1619 CB SER B 80 3.360 13.035 0.026 1.00 0.00 C ATOM 1620 OG SER B 80 4.287 12.234 -0.693 1.00 0.00 O ATOM 0 H SER B 80 2.335 10.816 -0.953 1.00 0.00 H new ATOM 0 HA SER B 80 1.239 13.266 0.259 1.00 0.00 H new ATOM 0 HB2 SER B 80 3.623 14.087 -0.089 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.427 12.804 1.089 1.00 0.00 H new ATOM 0 HG SER B 80 3.835 11.815 -1.455 1.00 0.00 H new ATOM 1626 N ASN B 81 0.917 12.867 -2.661 1.00 0.00 N ATOM 1627 CA ASN B 81 0.634 13.444 -3.954 1.00 0.00 C ATOM 1628 C ASN B 81 -0.491 14.453 -3.797 1.00 0.00 C ATOM 1629 O ASN B 81 -1.661 14.103 -3.827 1.00 0.00 O ATOM 1630 CB ASN B 81 0.259 12.360 -4.959 1.00 0.00 C ATOM 1631 CG ASN B 81 0.656 12.722 -6.376 1.00 0.00 C ATOM 1632 OD1 ASN B 81 0.708 13.896 -6.742 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.927 11.714 -7.188 1.00 0.00 N ATOM 0 H ASN B 81 0.467 11.969 -2.485 1.00 0.00 H new ATOM 0 HA ASN B 81 1.523 13.946 -4.336 1.00 0.00 H new ATOM 0 HB2 ASN B 81 0.742 11.425 -4.677 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.817 12.188 -4.919 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.191 11.896 -8.156 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.872 10.755 -6.846 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.109 15.701 -3.607 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.042 16.814 -3.397 1.00 0.00 C ATOM 1642 C GLU B 82 -2.286 16.735 -4.282 1.00 0.00 C ATOM 1643 O GLU B 82 -3.409 16.927 -3.814 1.00 0.00 O ATOM 1644 CB GLU B 82 -0.339 18.159 -3.658 1.00 0.00 C ATOM 1645 CG GLU B 82 1.160 18.062 -3.943 1.00 0.00 C ATOM 1646 CD GLU B 82 1.489 17.423 -5.286 1.00 0.00 C ATOM 1647 OE1 GLU B 82 0.563 17.193 -6.095 1.00 0.00 O ATOM 1648 OE2 GLU B 82 2.678 17.119 -5.521 1.00 0.00 O ATOM 0 H GLU B 82 0.871 15.984 -3.592 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.366 16.740 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.823 18.646 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -0.488 18.803 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.592 19.062 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU B 82 1.635 17.484 -3.150 1.00 0.00 H new ATOM 1655 N SER B 83 -2.085 16.427 -5.546 1.00 0.00 N ATOM 1656 CA SER B 83 -3.180 16.380 -6.496 1.00 0.00 C ATOM 1657 C SER B 83 -3.907 15.026 -6.571 1.00 0.00 C ATOM 1658 O SER B 83 -5.062 14.978 -7.005 1.00 0.00 O ATOM 1659 CB SER B 83 -2.645 16.747 -7.880 1.00 0.00 C ATOM 1660 OG SER B 83 -1.744 17.842 -7.802 1.00 0.00 O ATOM 0 H SER B 83 -1.172 16.205 -5.942 1.00 0.00 H new ATOM 0 HA SER B 83 -3.924 17.095 -6.144 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.140 15.886 -8.319 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.475 17.000 -8.540 1.00 0.00 H new ATOM 0 HG SER B 83 -0.916 17.554 -7.364 1.00 0.00 H new ATOM 1666 N THR B 84 -3.289 13.928 -6.139 1.00 0.00 N ATOM 1667 CA THR B 84 -3.942 12.625 -6.286 1.00 0.00 C ATOM 1668 C THR B 84 -3.950 11.753 -5.028 1.00 0.00 C ATOM 1669 O THR B 84 -4.519 10.673 -5.061 1.00 0.00 O ATOM 1670 CB THR B 84 -3.265 11.832 -7.415 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.884 11.685 -7.126 1.00 0.00 O ATOM 1672 CG2 THR B 84 -3.396 12.557 -8.733 1.00 0.00 C ATOM 0 H THR B 84 -2.369 13.909 -5.699 1.00 0.00 H new ATOM 0 HA THR B 84 -4.984 12.857 -6.508 1.00 0.00 H new ATOM 0 HB THR B 84 -3.751 10.859 -7.486 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.481 11.061 -7.765 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.909 11.977 -9.517 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.451 12.682 -8.976 1.00 0.00 H new ATOM 0 HG23 THR B 84 -2.922 13.536 -8.659 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.382 12.237 -3.935 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.275 11.467 -2.682 1.00 0.00 C ATOM 1682 C ALA B 85 -4.570 10.746 -2.321 1.00 0.00 C ATOM 1683 O ALA B 85 -4.594 9.524 -2.162 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.855 12.382 -1.543 1.00 0.00 C ATOM 0 H ALA B 85 -2.979 13.172 -3.880 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.516 10.701 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.779 11.805 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.888 12.828 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.597 13.170 -1.417 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.635 11.516 -2.190 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.952 10.982 -1.858 1.00 0.00 C ATOM 1692 C VAL B 86 -7.381 9.904 -2.861 1.00 0.00 C ATOM 1693 O VAL B 86 -7.824 8.817 -2.483 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.992 12.121 -1.854 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.401 11.587 -1.641 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.643 13.155 -0.794 1.00 0.00 C ATOM 0 H VAL B 86 -5.616 12.529 -2.310 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.894 10.530 -0.868 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.966 12.601 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.109 12.416 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.652 10.893 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.453 11.069 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.387 13.952 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.633 12.681 0.187 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.659 13.574 -1.005 1.00 0.00 H new ATOM 1706 N LYS B 87 -7.201 10.211 -4.140 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.579 9.307 -5.220 1.00 0.00 C ATOM 1708 C LYS B 87 -6.733 8.037 -5.194 1.00 0.00 C ATOM 1709 O LYS B 87 -7.256 6.932 -5.320 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.414 10.009 -6.573 1.00 0.00 C ATOM 1711 CG LYS B 87 -8.023 11.404 -6.624 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.568 12.162 -7.864 1.00 0.00 C ATOM 1713 CE LYS B 87 -8.143 13.570 -7.913 1.00 0.00 C ATOM 1714 NZ LYS B 87 -7.650 14.427 -6.800 1.00 0.00 N ATOM 0 H LYS B 87 -6.791 11.089 -4.457 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.623 9.029 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.352 10.078 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.872 9.395 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -9.110 11.329 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.739 11.960 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.479 12.214 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.873 11.615 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -7.883 14.032 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -9.231 13.516 -7.871 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.975 15.404 -6.944 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -8.020 14.069 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.610 14.407 -6.781 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.429 8.212 -5.024 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.490 7.100 -4.983 1.00 0.00 C ATOM 1730 C GLU B 88 -4.835 6.135 -3.861 1.00 0.00 C ATOM 1731 O GLU B 88 -4.862 4.922 -4.066 1.00 0.00 O ATOM 1732 CB GLU B 88 -3.067 7.618 -4.787 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.527 8.394 -5.972 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.255 9.147 -5.636 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -1.042 9.463 -4.447 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.478 9.444 -6.569 1.00 0.00 O ATOM 0 H GLU B 88 -4.994 9.127 -4.911 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.558 6.570 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -3.042 8.257 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.408 6.773 -4.587 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.333 7.707 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.283 9.099 -6.317 1.00 0.00 H new ATOM 1743 N ARG B 89 -5.111 6.680 -2.680 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.445 5.858 -1.526 1.00 0.00 C ATOM 1745 C ARG B 89 -6.602 4.924 -1.825 1.00 0.00 C ATOM 1746 O ARG B 89 -6.473 3.706 -1.708 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.814 6.719 -0.319 1.00 0.00 C ATOM 1748 CG ARG B 89 -6.320 5.883 0.847 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.174 6.684 1.807 1.00 0.00 C ATOM 1750 NE ARG B 89 -8.315 7.323 1.158 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.706 8.562 1.431 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -8.080 9.255 2.367 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.735 9.093 0.793 1.00 0.00 N ATOM 0 H ARG B 89 -5.110 7.684 -2.499 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.556 5.270 -1.297 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.942 7.292 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.580 7.438 -0.608 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -6.900 5.044 0.463 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.470 5.464 1.385 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.534 6.027 2.599 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.558 7.448 2.282 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.837 6.792 0.461 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -7.301 8.837 2.875 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -8.376 10.207 2.581 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -10.233 8.550 0.087 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.031 10.045 1.007 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.723 5.499 -2.228 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.914 4.716 -2.517 1.00 0.00 C ATOM 1769 C ASP B 90 -8.704 3.772 -3.691 1.00 0.00 C ATOM 1770 O ASP B 90 -9.245 2.675 -3.707 1.00 0.00 O ATOM 1771 CB ASP B 90 -10.104 5.635 -2.777 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.860 5.945 -1.500 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -10.389 6.803 -0.722 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.909 5.312 -1.261 1.00 0.00 O ATOM 0 H ASP B 90 -7.834 6.504 -2.362 1.00 0.00 H new ATOM 0 HA ASP B 90 -9.123 4.103 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.755 6.564 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.777 5.165 -3.494 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.873 4.175 -4.639 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.614 3.353 -5.824 1.00 0.00 C ATOM 1781 C ALA B 91 -6.827 2.102 -5.455 1.00 0.00 C ATOM 1782 O ALA B 91 -7.069 1.010 -5.976 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.864 4.156 -6.879 1.00 0.00 C ATOM 0 H ALA B 91 -7.366 5.060 -4.617 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.574 3.045 -6.238 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.681 3.529 -7.751 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.461 5.019 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.912 4.495 -6.470 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.900 2.274 -4.532 1.00 0.00 N ATOM 1790 CA VAL B 92 -5.059 1.186 -4.065 1.00 0.00 C ATOM 1791 C VAL B 92 -5.860 0.312 -3.116 1.00 0.00 C ATOM 1792 O VAL B 92 -5.818 -0.914 -3.200 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.787 1.710 -3.358 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.992 0.566 -2.751 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.917 2.495 -4.327 1.00 0.00 C ATOM 0 H VAL B 92 -5.708 3.170 -4.085 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.736 0.604 -4.928 1.00 0.00 H new ATOM 0 HB VAL B 92 -4.103 2.375 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -2.103 0.961 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.608 0.043 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.694 -0.128 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -2.028 2.854 -3.809 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.619 1.850 -5.153 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.479 3.345 -4.714 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.601 0.968 -2.228 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.455 0.288 -1.261 1.00 0.00 C ATOM 1807 C LYS B 93 -8.382 -0.671 -1.985 1.00 0.00 C ATOM 1808 O LYS B 93 -8.477 -1.850 -1.649 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.285 1.326 -0.501 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.328 0.729 0.425 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.740 0.912 -0.114 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.155 2.372 -0.117 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.126 2.676 -1.204 1.00 0.00 N ATOM 0 H LYS B 93 -6.626 1.985 -2.159 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.836 -0.271 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.613 1.955 0.083 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.783 1.975 -1.221 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.127 -0.334 0.561 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.251 1.196 1.407 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.797 0.515 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.439 0.336 0.493 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.599 2.624 0.846 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.271 2.999 -0.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -12.030 3.672 -1.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.934 2.064 -2.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -13.094 2.505 -0.863 1.00 0.00 H new ATOM 1827 N ASP B 94 -9.045 -0.127 -2.988 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.974 -0.857 -3.829 1.00 0.00 C ATOM 1829 C ASP B 94 -9.339 -2.102 -4.428 1.00 0.00 C ATOM 1830 O ASP B 94 -9.883 -3.202 -4.316 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.466 0.072 -4.934 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.734 0.814 -4.553 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.812 1.319 -3.407 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.653 0.888 -5.389 1.00 0.00 O ATOM 0 H ASP B 94 -8.951 0.855 -3.246 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.811 -1.191 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.685 0.794 -5.171 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.648 -0.509 -5.838 1.00 0.00 H new ATOM 1839 N LEU B 95 -8.187 -1.932 -5.058 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.489 -3.055 -5.666 1.00 0.00 C ATOM 1841 C LEU B 95 -7.057 -4.061 -4.605 1.00 0.00 C ATOM 1842 O LEU B 95 -7.233 -5.266 -4.780 1.00 0.00 O ATOM 1843 CB LEU B 95 -6.273 -2.571 -6.464 1.00 0.00 C ATOM 1844 CG LEU B 95 -6.257 -2.968 -7.949 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.483 -2.420 -8.667 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.986 -2.468 -8.619 1.00 0.00 C ATOM 0 H LEU B 95 -7.717 -1.033 -5.162 1.00 0.00 H new ATOM 0 HA LEU B 95 -8.178 -3.549 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.224 -1.484 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.371 -2.961 -5.992 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.280 -4.056 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.451 -2.713 -9.716 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.385 -2.822 -8.205 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.492 -1.332 -8.594 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.991 -2.758 -9.670 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.937 -1.382 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.118 -2.906 -8.126 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.542 -3.560 -3.490 1.00 0.00 N ATOM 1859 CA LEU B 96 -6.068 -4.419 -2.414 1.00 0.00 C ATOM 1860 C LEU B 96 -7.188 -5.235 -1.784 1.00 0.00 C ATOM 1861 O LEU B 96 -7.064 -6.450 -1.640 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.359 -3.604 -1.346 1.00 0.00 C ATOM 1863 CG LEU B 96 -4.027 -3.032 -1.800 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.345 -2.287 -0.667 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.128 -4.131 -2.337 1.00 0.00 C ATOM 0 H LEU B 96 -6.442 -2.561 -3.307 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.363 -5.119 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.009 -2.786 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.195 -4.232 -0.471 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.219 -2.322 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.393 -1.886 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -3.983 -1.468 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.168 -2.970 0.164 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.179 -3.701 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.947 -4.868 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.612 -4.615 -3.186 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.288 -4.577 -1.433 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.415 -5.262 -0.808 1.00 0.00 C ATOM 1879 C GLN B 97 -10.036 -6.271 -1.766 1.00 0.00 C ATOM 1880 O GLN B 97 -10.681 -7.225 -1.342 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.467 -4.260 -0.321 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.212 -3.541 -1.430 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.370 -2.715 -0.905 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -12.237 -2.211 0.315 1.00 0.00 O flip ATOM 1885 NE2 GLN B 97 -13.377 -2.532 -1.586 1.00 0.00 N flip ATOM 0 H GLN B 97 -8.423 -3.575 -1.570 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.037 -5.803 0.060 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.189 -4.786 0.303 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.979 -3.519 0.312 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.521 -2.892 -1.968 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.586 -4.272 -2.147 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.441 -2.937 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.148 -1.976 -1.217 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.841 -6.053 -3.059 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.357 -6.965 -4.069 1.00 0.00 C ATOM 1896 C GLN B 98 -9.404 -8.145 -4.265 1.00 0.00 C ATOM 1897 O GLN B 98 -9.807 -9.230 -4.694 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.549 -6.232 -5.392 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.924 -5.605 -5.550 1.00 0.00 C ATOM 1900 CD GLN B 98 -12.028 -4.737 -6.788 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -12.328 -5.223 -7.877 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.781 -3.448 -6.628 1.00 0.00 N ATOM 0 H GLN B 98 -9.330 -5.253 -3.433 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.320 -7.345 -3.728 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.792 -5.452 -5.478 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.382 -6.931 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.676 -6.393 -5.599 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.149 -5.004 -4.669 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.535 -3.086 -5.706 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.836 -2.815 -7.426 1.00 0.00 H new ATOM 1911 N LEU B 99 -8.133 -7.912 -3.982 1.00 0.00 N ATOM 1912 CA LEU B 99 -7.106 -8.935 -4.122 1.00 0.00 C ATOM 1913 C LEU B 99 -6.963 -9.786 -2.860 1.00 0.00 C ATOM 1914 O LEU B 99 -6.693 -10.980 -2.948 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.766 -8.286 -4.474 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.692 -7.704 -5.885 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.622 -6.627 -5.969 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.421 -8.802 -6.903 1.00 0.00 C ATOM 0 H LEU B 99 -7.784 -7.013 -3.650 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.414 -9.600 -4.929 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.563 -7.491 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.976 -9.029 -4.360 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.655 -7.249 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.587 -6.227 -6.982 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.858 -5.825 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.653 -7.056 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.372 -8.368 -7.902 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.473 -9.287 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.224 -9.538 -6.866 1.00 0.00 H new ATOM 1930 N LEU B 100 -7.158 -9.169 -1.698 1.00 0.00 N ATOM 1931 CA LEU B 100 -7.027 -9.863 -0.411 1.00 0.00 C ATOM 1932 C LEU B 100 -7.788 -11.196 -0.338 1.00 0.00 C ATOM 1933 O LEU B 100 -7.173 -12.222 -0.059 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.444 -8.958 0.750 1.00 0.00 C ATOM 1935 CG LEU B 100 -6.311 -8.133 1.358 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.821 -7.301 2.520 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -5.181 -9.040 1.816 1.00 0.00 C ATOM 0 H LEU B 100 -7.409 -8.184 -1.617 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.968 -10.106 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -8.222 -8.279 0.402 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.886 -9.575 1.533 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.928 -7.459 0.592 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -6.000 -6.720 2.940 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.601 -6.625 2.169 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -7.229 -7.959 3.287 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.382 -8.437 2.247 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.555 -9.736 2.567 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.795 -9.599 0.964 1.00 0.00 H new ATOM 1949 N PRO B 101 -9.116 -11.228 -0.595 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.903 -12.473 -0.517 1.00 0.00 C ATOM 1951 C PRO B 101 -9.466 -13.526 -1.535 1.00 0.00 C ATOM 1952 O PRO B 101 -9.904 -14.672 -1.481 1.00 0.00 O ATOM 1953 CB PRO B 101 -11.338 -12.017 -0.803 1.00 0.00 C ATOM 1954 CG PRO B 101 -11.191 -10.728 -1.535 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.960 -10.080 -0.973 1.00 0.00 C ATOM 0 HA PRO B 101 -9.778 -12.957 0.452 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.874 -12.753 -1.402 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.902 -11.885 0.120 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.090 -10.896 -2.607 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -12.067 -10.095 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.468 -9.444 -1.709 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -10.193 -9.451 -0.113 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.606 -13.129 -2.461 1.00 0.00 N ATOM 1964 CA LYS B 102 -8.112 -14.032 -3.488 1.00 0.00 C ATOM 1965 C LYS B 102 -6.878 -14.788 -3.001 1.00 0.00 C ATOM 1966 O LYS B 102 -6.531 -15.837 -3.540 1.00 0.00 O ATOM 1967 CB LYS B 102 -7.770 -13.241 -4.752 1.00 0.00 C ATOM 1968 CG LYS B 102 -8.414 -13.780 -6.019 1.00 0.00 C ATOM 1969 CD LYS B 102 -9.167 -12.686 -6.767 1.00 0.00 C ATOM 1970 CE LYS B 102 -8.254 -11.525 -7.136 1.00 0.00 C ATOM 1971 NZ LYS B 102 -8.978 -10.223 -7.124 1.00 0.00 N ATOM 0 H LYS B 102 -8.234 -12.181 -2.522 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.893 -14.758 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -8.079 -12.205 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.688 -13.236 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.647 -14.205 -6.667 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.100 -14.588 -5.765 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.610 -13.102 -7.672 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -9.988 -12.321 -6.149 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.420 -11.483 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -7.831 -11.696 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.321 -9.458 -7.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.759 -10.254 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.360 -10.047 -6.173 1.00 0.00 H new ATOM 1985 N PHE B 103 -6.215 -14.245 -1.985 1.00 0.00 N ATOM 1986 CA PHE B 103 -5.006 -14.862 -1.449 1.00 0.00 C ATOM 1987 C PHE B 103 -5.138 -15.156 0.039 1.00 0.00 C ATOM 1988 O PHE B 103 -4.263 -15.775 0.646 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.800 -13.967 -1.735 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.612 -13.716 -3.205 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -2.985 -14.656 -4.005 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -4.085 -12.553 -3.790 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -2.833 -14.440 -5.361 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -3.933 -12.329 -5.144 1.00 0.00 C ATOM 1995 CZ PHE B 103 -3.307 -13.275 -5.932 1.00 0.00 C ATOM 0 H PHE B 103 -6.493 -13.382 -1.517 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.857 -15.820 -1.946 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.926 -13.015 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.901 -14.432 -1.330 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.611 -15.568 -3.564 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.579 -11.812 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.344 -15.182 -5.975 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.303 -11.416 -5.586 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.188 -13.104 -6.992 1.00 0.00 H new