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 81 ASN : amide:sc= -1.48! C(o=-0.85!,f=-5.3!) USER MOD Set 1.2: B 84 THR OG1 : rot 74:sc= 0.622 USER MOD Set 2.1: B 66 GLN : amide:sc= -4.75! C(o=-5.7!,f=-7.4!) USER MOD Set 2.2: B 76 ASN : amide:sc= -0.962 X(o=-5.7,f=-5.9) USER MOD Set 3.1: A 52 GLN : amide:sc= -6.09! C(o=-5.6!,f=-9.6!) USER MOD Set 3.2: B 56 SER OG : rot 70:sc= 2.14 USER MOD Set 3.3: B 62 LYS NZ :NH3+ -112:sc= 1.2 (180deg=-0.144) USER MOD Set 3.4: B 64 GLN : amide:sc= -2.85! C(o=-5.6!,f=-13!) USER MOD Single : B 13 LYS NZ :NH3+ -117:sc= -0.68 (180deg=-1.49) USER MOD Single : B 14 LYS NZ :NH3+ 142:sc= 1.32 (180deg=0.656) USER MOD Single : B 17 GLN : amide:sc= -2.29 X(o=-2.3,f=-1.9) USER MOD Single : B 18 LYS NZ :NH3+ -154:sc= -0.0967 (180deg=-0.567) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 153:sc= 0 (180deg=-0.861) USER MOD Single : B 42 THR OG1 : rot 170:sc= -0.724 USER MOD Single : B 44 SER OG : rot 13:sc= -0.108 USER MOD Single : B 45 HIS : no HD1:sc= -0.213 K(o=-0.21,f=-0.94) USER MOD Single : B 46 MET CE :methyl 180:sc= -0.0227 (180deg=-0.0227) USER MOD Single : B 47 TYR OH : rot 141:sc= 1.21 USER MOD Single : B 51 LYS NZ :NH3+ -131:sc= 2.17 (180deg=-4.51!) USER MOD Single : B 52 CYS SG : rot 180:sc= -9.48! USER MOD Single : B 53 GLN : amide:sc= -5.08! C(o=-5.1!,f=-5!) USER MOD Single : B 54 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.19) USER MOD Single : B 60 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0124) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -1.83 F(o=-2.6,f=-1.8) USER MOD Single : B 74 THR OG1 : rot 30:sc= 0.0307 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -4.13! X(o=-4.1!,f=-4.3) USER MOD Single : B 80 SER OG : rot 32:sc= -0.914! USER MOD Single : B 83 SER OG : rot 72:sc= 1.24 USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : B 93 LYS NZ :NH3+ -139:sc= 2.39 (180deg=2.14) USER MOD Single : B 97 GLN :FLIP amide:sc= -0.0971 F(o=-0.75,f=-0.097) USER MOD Single : B 98 GLN : amide:sc= 0.223 X(o=0.22,f=0) USER MOD Single : B 102 LYS NZ :NH3+ 138:sc= 0.96 (180deg=-0.979!) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.536 8.416 13.836 1.00 0.00 N ATOM 135 CA ILE A 50 -1.255 7.478 13.024 1.00 0.00 C ATOM 136 C ILE A 50 -1.870 6.357 13.862 1.00 0.00 C ATOM 137 O ILE A 50 -1.196 5.737 14.680 1.00 0.00 O ATOM 138 CB ILE A 50 -0.318 6.866 11.954 1.00 0.00 C ATOM 139 CG1 ILE A 50 -0.473 7.563 10.606 1.00 0.00 C ATOM 140 CG2 ILE A 50 -0.581 5.394 11.781 1.00 0.00 C ATOM 141 CD1 ILE A 50 0.656 7.257 9.648 1.00 0.00 C ATOM 0 HA ILE A 50 -2.064 8.023 12.538 1.00 0.00 H new ATOM 0 HB ILE A 50 0.702 7.011 12.310 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.418 7.261 10.154 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.526 8.640 10.764 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.091 4.991 11.024 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.411 4.880 12.727 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.614 5.243 11.467 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.488 7.782 8.708 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.601 7.584 10.082 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.695 6.184 9.462 1.00 0.00 H new ATOM 153 N GLU A 51 -3.172 6.223 13.668 1.00 0.00 N ATOM 154 CA GLU A 51 -4.055 5.179 14.230 1.00 0.00 C ATOM 155 C GLU A 51 -5.456 5.743 14.404 1.00 0.00 C ATOM 156 O GLU A 51 -6.087 5.661 15.455 1.00 0.00 O ATOM 157 CB GLU A 51 -3.558 4.475 15.497 1.00 0.00 C ATOM 158 CG GLU A 51 -2.689 3.258 15.183 1.00 0.00 C ATOM 159 CD GLU A 51 -3.098 2.567 13.892 1.00 0.00 C ATOM 160 OE1 GLU A 51 -3.980 1.682 13.934 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.546 2.917 12.825 1.00 0.00 O ATOM 0 H GLU A 51 -3.687 6.876 13.077 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.055 4.372 13.497 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.987 5.180 16.101 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.414 4.163 16.096 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.647 3.569 15.110 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.753 2.548 16.007 1.00 0.00 H new ATOM 168 N GLN A 52 -5.891 6.345 13.313 1.00 0.00 N ATOM 169 CA GLN A 52 -7.200 6.946 13.150 1.00 0.00 C ATOM 170 C GLN A 52 -7.624 6.575 11.762 1.00 0.00 C ATOM 171 O GLN A 52 -7.661 7.374 10.829 1.00 0.00 O ATOM 172 CB GLN A 52 -7.162 8.471 13.375 1.00 0.00 C ATOM 173 CG GLN A 52 -6.331 9.263 12.359 1.00 0.00 C ATOM 174 CD GLN A 52 -4.887 8.801 12.252 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.049 9.151 13.077 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.582 8.020 11.218 1.00 0.00 N ATOM 0 H GLN A 52 -5.313 6.432 12.477 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.914 6.584 13.890 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.184 8.850 13.358 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.767 8.665 14.372 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.801 9.184 11.379 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.346 10.317 12.635 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.306 7.750 10.552 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.624 7.692 11.092 1.00 0.00 H new ATOM 185 N TRP A 53 -7.885 5.311 11.638 1.00 0.00 N ATOM 186 CA TRP A 53 -8.210 4.736 10.381 1.00 0.00 C ATOM 187 C TRP A 53 -9.590 4.149 10.359 1.00 0.00 C ATOM 188 O TRP A 53 -10.308 4.131 11.353 1.00 0.00 O ATOM 189 CB TRP A 53 -7.223 3.611 10.099 1.00 0.00 C ATOM 190 CG TRP A 53 -5.783 4.011 10.171 1.00 0.00 C ATOM 191 CD1 TRP A 53 -5.060 4.337 11.263 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.907 4.083 9.079 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.764 4.665 10.893 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.647 4.505 9.534 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.097 3.836 7.757 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.569 4.685 8.639 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.075 3.996 6.898 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.825 4.416 7.323 1.00 0.00 C ATOM 0 H TRP A 53 -7.877 4.649 12.414 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.163 5.527 9.633 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.398 2.805 10.811 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.425 3.209 9.106 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.435 4.342 12.276 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.024 4.973 11.523 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.063 3.513 7.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.598 5.016 8.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.233 3.792 5.849 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.034 4.534 6.597 1.00 0.00 H new ATOM 209 N PHE A 54 -9.948 3.737 9.174 1.00 0.00 N ATOM 210 CA PHE A 54 -11.173 3.043 8.928 1.00 0.00 C ATOM 211 C PHE A 54 -10.723 1.708 8.466 1.00 0.00 C ATOM 212 O PHE A 54 -10.453 1.524 7.277 1.00 0.00 O ATOM 213 CB PHE A 54 -11.996 3.706 7.844 1.00 0.00 C ATOM 214 CG PHE A 54 -12.090 5.175 8.009 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.275 5.729 9.259 1.00 0.00 C ATOM 216 CD2 PHE A 54 -12.010 6.001 6.914 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.388 7.075 9.414 1.00 0.00 C ATOM 218 CE2 PHE A 54 -12.113 7.350 7.055 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.312 7.900 8.312 1.00 0.00 C ATOM 0 H PHE A 54 -9.381 3.879 8.338 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.810 3.019 9.812 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.556 3.482 6.872 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.999 3.280 7.845 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.331 5.086 10.125 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.864 5.575 5.932 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.537 7.497 10.397 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.040 7.992 6.189 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.407 8.970 8.427 1.00 0.00 H new ATOM 246 N GLU A 56 -10.651 -1.021 6.848 1.00 0.00 N ATOM 247 CA GLU A 56 -11.338 -1.728 5.781 1.00 0.00 C ATOM 248 C GLU A 56 -11.085 -3.242 5.848 1.00 0.00 C ATOM 249 O GLU A 56 -10.493 -3.815 4.930 1.00 0.00 O ATOM 250 CB GLU A 56 -10.833 -1.206 4.445 1.00 0.00 C ATOM 251 CG GLU A 56 -11.390 0.154 4.062 1.00 0.00 C ATOM 252 CD GLU A 56 -11.800 0.198 2.607 1.00 0.00 C ATOM 253 OE1 GLU A 56 -11.420 -0.732 1.861 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.491 1.157 2.205 1.00 0.00 O ATOM 0 HA GLU A 56 -12.409 -1.556 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.745 -1.145 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.089 -1.924 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.250 0.386 4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.640 0.922 4.253 1.00 0.00 H new ATOM 261 N ASP A 57 -11.514 -3.889 6.931 1.00 0.00 N ATOM 262 CA ASP A 57 -11.323 -5.327 7.077 1.00 0.00 C ATOM 263 C ASP A 57 -12.255 -5.958 8.114 1.00 0.00 C ATOM 264 O ASP A 57 -12.971 -6.897 7.780 1.00 0.00 O ATOM 265 CB ASP A 57 -9.861 -5.668 7.364 1.00 0.00 C ATOM 266 CG ASP A 57 -9.660 -7.092 7.869 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.463 -8.001 7.037 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.629 -7.297 9.105 1.00 0.00 O ATOM 0 H ASP A 57 -11.992 -3.442 7.713 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.595 -5.767 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.277 -5.527 6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.471 -4.969 8.104 1.00 0.00 H new ATOM 415 N GLU B 7 2.969 -9.462 -12.679 1.00 0.00 N ATOM 416 CA GLU B 7 2.601 -8.240 -13.362 1.00 0.00 C ATOM 417 C GLU B 7 2.355 -7.102 -12.380 1.00 0.00 C ATOM 418 O GLU B 7 1.952 -7.319 -11.232 1.00 0.00 O ATOM 419 CB GLU B 7 1.344 -8.474 -14.205 1.00 0.00 C ATOM 420 CG GLU B 7 0.117 -8.857 -13.392 1.00 0.00 C ATOM 421 CD GLU B 7 -0.073 -10.359 -13.286 1.00 0.00 C ATOM 422 OE1 GLU B 7 0.917 -11.070 -12.998 1.00 0.00 O ATOM 423 OE2 GLU B 7 -1.214 -10.828 -13.474 1.00 0.00 O ATOM 0 HA GLU B 7 3.432 -7.955 -14.008 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.124 -7.568 -14.771 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.547 -9.262 -14.931 1.00 0.00 H new ATOM 0 HG2 GLU B 7 0.204 -8.435 -12.391 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.768 -8.415 -13.849 1.00 0.00 H new ATOM 430 N VAL B 8 2.618 -5.889 -12.837 1.00 0.00 N ATOM 431 CA VAL B 8 2.401 -4.709 -12.032 1.00 0.00 C ATOM 432 C VAL B 8 0.966 -4.248 -12.232 1.00 0.00 C ATOM 433 O VAL B 8 0.553 -3.928 -13.345 1.00 0.00 O ATOM 434 CB VAL B 8 3.386 -3.579 -12.390 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.259 -2.424 -11.407 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.814 -4.111 -12.413 1.00 0.00 C ATOM 0 H VAL B 8 2.985 -5.700 -13.770 1.00 0.00 H new ATOM 0 HA VAL B 8 2.577 -4.959 -10.986 1.00 0.00 H new ATOM 0 HB VAL B 8 3.139 -3.206 -13.384 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.963 -1.637 -11.678 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.243 -2.029 -11.439 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.480 -2.778 -10.400 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.499 -3.303 -12.667 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.070 -4.509 -11.431 1.00 0.00 H new ATOM 0 HG23 VAL B 8 4.895 -4.903 -13.157 1.00 0.00 H new ATOM 446 N LEU B 9 0.221 -4.226 -11.149 1.00 0.00 N ATOM 447 CA LEU B 9 -1.176 -3.865 -11.173 1.00 0.00 C ATOM 448 C LEU B 9 -1.363 -2.377 -10.996 1.00 0.00 C ATOM 449 O LEU B 9 -2.223 -1.770 -11.631 1.00 0.00 O ATOM 450 CB LEU B 9 -1.903 -4.609 -10.058 1.00 0.00 C ATOM 451 CG LEU B 9 -2.284 -6.047 -10.387 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.703 -6.785 -9.129 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.405 -6.075 -11.414 1.00 0.00 C ATOM 0 H LEU B 9 0.572 -4.460 -10.220 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.588 -4.142 -12.143 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.271 -4.610 -9.170 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.808 -4.058 -9.804 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.413 -6.548 -10.809 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.972 -7.811 -9.381 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.877 -6.791 -8.418 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.562 -6.284 -8.682 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.666 -7.109 -11.639 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -4.278 -5.559 -11.014 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.075 -5.577 -12.326 1.00 0.00 H new ATOM 465 N LEU B 10 -0.560 -1.785 -10.133 1.00 0.00 N ATOM 466 CA LEU B 10 -0.690 -0.370 -9.882 1.00 0.00 C ATOM 467 C LEU B 10 0.639 0.281 -9.559 1.00 0.00 C ATOM 468 O LEU B 10 1.447 -0.263 -8.807 1.00 0.00 O ATOM 469 CB LEU B 10 -1.618 -0.146 -8.698 1.00 0.00 C ATOM 470 CG LEU B 10 -2.430 1.152 -8.737 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.470 1.102 -9.845 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.096 1.401 -7.395 1.00 0.00 C ATOM 0 H LEU B 10 0.175 -2.255 -9.604 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.088 0.079 -10.792 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.310 -0.986 -8.636 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.023 -0.155 -7.785 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.748 1.977 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.036 2.034 -9.855 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.972 0.969 -10.806 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.149 0.267 -9.670 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.669 2.327 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.764 0.572 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.334 1.483 -6.620 1.00 0.00 H new ATOM 484 N ILE B 11 0.861 1.432 -10.157 1.00 0.00 N ATOM 485 CA ILE B 11 2.049 2.223 -9.888 1.00 0.00 C ATOM 486 C ILE B 11 1.622 3.544 -9.272 1.00 0.00 C ATOM 487 O ILE B 11 1.079 4.419 -9.950 1.00 0.00 O ATOM 488 CB ILE B 11 2.896 2.488 -11.152 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.417 1.166 -11.724 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.051 3.432 -10.826 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.364 1.330 -12.894 1.00 0.00 C ATOM 0 H ILE B 11 0.228 1.847 -10.841 1.00 0.00 H new ATOM 0 HA ILE B 11 2.679 1.655 -9.204 1.00 0.00 H new ATOM 0 HB ILE B 11 2.269 2.964 -11.905 1.00 0.00 H new ATOM 0 HG12 ILE B 11 3.926 0.615 -10.933 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.568 0.559 -12.039 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.640 3.610 -11.726 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.655 4.378 -10.458 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.684 2.982 -10.061 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.687 0.349 -13.241 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.854 1.851 -13.704 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.233 1.908 -12.580 1.00 0.00 H new ATOM 503 N VAL B 12 1.864 3.670 -7.985 1.00 0.00 N ATOM 504 CA VAL B 12 1.511 4.864 -7.248 1.00 0.00 C ATOM 505 C VAL B 12 2.745 5.731 -7.072 1.00 0.00 C ATOM 506 O VAL B 12 3.849 5.216 -6.924 1.00 0.00 O ATOM 507 CB VAL B 12 0.923 4.508 -5.869 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.181 5.690 -5.277 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.005 3.301 -5.974 1.00 0.00 C ATOM 0 H VAL B 12 2.311 2.948 -7.420 1.00 0.00 H new ATOM 0 HA VAL B 12 0.753 5.409 -7.811 1.00 0.00 H new ATOM 0 HB VAL B 12 1.749 4.257 -5.204 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.225 5.414 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL B 12 0.867 6.529 -5.160 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.634 5.978 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.400 3.065 -4.990 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.813 3.524 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.569 2.447 -6.348 1.00 0.00 H new ATOM 519 N LYS B 13 2.559 7.035 -7.087 1.00 0.00 N ATOM 520 CA LYS B 13 3.681 7.955 -6.955 1.00 0.00 C ATOM 521 C LYS B 13 3.580 8.783 -5.688 1.00 0.00 C ATOM 522 O LYS B 13 2.519 8.865 -5.071 1.00 0.00 O ATOM 523 CB LYS B 13 3.770 8.870 -8.172 1.00 0.00 C ATOM 524 CG LYS B 13 4.148 8.137 -9.448 1.00 0.00 C ATOM 525 CD LYS B 13 3.143 8.376 -10.569 1.00 0.00 C ATOM 526 CE LYS B 13 1.851 7.598 -10.352 1.00 0.00 C ATOM 527 NZ LYS B 13 0.849 8.376 -9.575 1.00 0.00 N ATOM 0 H LYS B 13 1.649 7.484 -7.188 1.00 0.00 H new ATOM 0 HA LYS B 13 4.589 7.355 -6.893 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.810 9.365 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.506 9.651 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.136 8.463 -9.773 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.215 7.068 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.919 9.441 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.586 8.085 -11.521 1.00 0.00 H new ATOM 0 HE2 LYS B 13 1.427 7.325 -11.318 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.073 6.668 -9.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 0.652 7.889 -8.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 1.223 9.326 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -0.030 8.457 -10.125 1.00 0.00 H new ATOM 541 N LYS B 14 4.698 9.412 -5.338 1.00 0.00 N ATOM 542 CA LYS B 14 4.809 10.240 -4.146 1.00 0.00 C ATOM 543 C LYS B 14 4.260 9.545 -2.907 1.00 0.00 C ATOM 544 O LYS B 14 3.547 10.145 -2.099 1.00 0.00 O ATOM 545 CB LYS B 14 4.136 11.584 -4.380 1.00 0.00 C ATOM 546 CG LYS B 14 5.088 12.641 -4.918 1.00 0.00 C ATOM 547 CD LYS B 14 6.006 13.163 -3.820 1.00 0.00 C ATOM 548 CE LYS B 14 7.288 13.757 -4.385 1.00 0.00 C ATOM 549 NZ LYS B 14 8.411 12.780 -4.370 1.00 0.00 N ATOM 0 H LYS B 14 5.560 9.359 -5.881 1.00 0.00 H new ATOM 0 HA LYS B 14 5.868 10.411 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.312 11.454 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS B 14 3.704 11.936 -3.443 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.686 12.219 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.517 13.467 -5.342 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.481 13.920 -3.238 1.00 0.00 H new ATOM 0 HD3 LYS B 14 6.253 12.350 -3.137 1.00 0.00 H new ATOM 0 HE2 LYS B 14 7.112 14.091 -5.407 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.566 14.637 -3.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.983 12.895 -5.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 9.006 12.948 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.030 11.813 -4.334 1.00 0.00 H new ATOM 563 N VAL B 15 4.597 8.274 -2.768 1.00 0.00 N ATOM 564 CA VAL B 15 4.170 7.500 -1.617 1.00 0.00 C ATOM 565 C VAL B 15 5.293 7.479 -0.598 1.00 0.00 C ATOM 566 O VAL B 15 6.343 6.892 -0.836 1.00 0.00 O ATOM 567 CB VAL B 15 3.766 6.058 -1.991 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.178 5.343 -0.786 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.774 6.081 -3.136 1.00 0.00 C ATOM 0 H VAL B 15 5.165 7.757 -3.439 1.00 0.00 H new ATOM 0 HA VAL B 15 3.283 7.976 -1.200 1.00 0.00 H new ATOM 0 HB VAL B 15 4.654 5.513 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.898 4.328 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.918 5.308 0.013 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.295 5.880 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.493 5.060 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.885 6.637 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.229 6.563 -4.002 1.00 0.00 H new ATOM 579 N ARG B 16 5.073 8.135 0.523 1.00 0.00 N ATOM 580 CA ARG B 16 6.076 8.230 1.563 1.00 0.00 C ATOM 581 C ARG B 16 5.967 7.108 2.573 1.00 0.00 C ATOM 582 O ARG B 16 4.972 6.976 3.285 1.00 0.00 O ATOM 583 CB ARG B 16 5.979 9.585 2.262 1.00 0.00 C ATOM 584 CG ARG B 16 6.412 10.722 1.363 1.00 0.00 C ATOM 585 CD ARG B 16 6.417 12.065 2.060 1.00 0.00 C ATOM 586 NE ARG B 16 7.538 12.885 1.602 1.00 0.00 N ATOM 587 CZ ARG B 16 7.532 14.210 1.536 1.00 0.00 C ATOM 588 NH1 ARG B 16 6.466 14.901 1.930 1.00 0.00 N ATOM 589 NH2 ARG B 16 8.598 14.839 1.057 1.00 0.00 N ATOM 0 H ARG B 16 4.199 8.615 0.738 1.00 0.00 H new ATOM 0 HA ARG B 16 7.051 8.136 1.084 1.00 0.00 H new ATOM 0 HB2 ARG B 16 4.952 9.752 2.587 1.00 0.00 H new ATOM 0 HB3 ARG B 16 6.600 9.575 3.158 1.00 0.00 H new ATOM 0 HG2 ARG B 16 7.412 10.514 0.981 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.746 10.769 0.502 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.478 12.584 1.866 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.484 11.920 3.138 1.00 0.00 H new ATOM 0 HE ARG B 16 8.388 12.402 1.312 1.00 0.00 H new ATOM 0 HH11 ARG B 16 5.645 14.412 2.286 1.00 0.00 H new ATOM 0 HH12 ARG B 16 6.470 15.920 1.876 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.409 14.304 0.745 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.607 15.857 1.001 1.00 0.00 H new ATOM 603 N GLN B 17 7.010 6.307 2.627 1.00 0.00 N ATOM 604 CA GLN B 17 7.082 5.210 3.563 1.00 0.00 C ATOM 605 C GLN B 17 8.170 5.522 4.573 1.00 0.00 C ATOM 606 O GLN B 17 9.357 5.450 4.258 1.00 0.00 O ATOM 607 CB GLN B 17 7.378 3.893 2.839 1.00 0.00 C ATOM 608 CG GLN B 17 6.781 2.669 3.522 1.00 0.00 C ATOM 609 CD GLN B 17 7.484 2.296 4.817 1.00 0.00 C ATOM 610 OE1 GLN B 17 6.852 1.850 5.771 1.00 0.00 O ATOM 611 NE2 GLN B 17 8.798 2.469 4.857 1.00 0.00 N ATOM 0 H GLN B 17 7.828 6.399 2.025 1.00 0.00 H new ATOM 0 HA GLN B 17 6.124 5.092 4.070 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.993 3.954 1.821 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.458 3.765 2.764 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.728 2.856 3.730 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.825 1.822 2.837 1.00 0.00 H new ATOM 0 HE21 GLN B 17 9.288 2.842 4.044 1.00 0.00 H new ATOM 0 HE22 GLN B 17 9.319 2.229 5.701 1.00 0.00 H new ATOM 620 N LYS B 18 7.749 5.903 5.772 1.00 0.00 N ATOM 621 CA LYS B 18 8.670 6.241 6.851 1.00 0.00 C ATOM 622 C LYS B 18 9.520 7.468 6.500 1.00 0.00 C ATOM 623 O LYS B 18 10.742 7.386 6.396 1.00 0.00 O ATOM 624 CB LYS B 18 9.559 5.041 7.203 1.00 0.00 C ATOM 625 CG LYS B 18 9.218 4.386 8.537 1.00 0.00 C ATOM 626 CD LYS B 18 7.985 3.495 8.441 1.00 0.00 C ATOM 627 CE LYS B 18 6.702 4.257 8.750 1.00 0.00 C ATOM 628 NZ LYS B 18 6.670 4.752 10.147 1.00 0.00 N ATOM 0 H LYS B 18 6.764 5.986 6.024 1.00 0.00 H new ATOM 0 HA LYS B 18 8.074 6.494 7.728 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.475 4.296 6.412 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.599 5.367 7.225 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.067 3.793 8.877 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.049 5.159 9.287 1.00 0.00 H new ATOM 0 HD2 LYS B 18 7.922 3.071 7.439 1.00 0.00 H new ATOM 0 HD3 LYS B 18 8.086 2.660 9.135 1.00 0.00 H new ATOM 0 HE2 LYS B 18 6.607 5.100 8.065 1.00 0.00 H new ATOM 0 HE3 LYS B 18 5.844 3.607 8.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.682 4.858 10.455 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 7.155 4.073 10.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 7.150 5.673 10.200 1.00 0.00 H new ATOM 642 N LYS B 19 8.833 8.593 6.284 1.00 0.00 N ATOM 643 CA LYS B 19 9.472 9.883 5.982 1.00 0.00 C ATOM 644 C LYS B 19 10.257 9.884 4.662 1.00 0.00 C ATOM 645 O LYS B 19 11.104 10.747 4.451 1.00 0.00 O ATOM 646 CB LYS B 19 10.393 10.289 7.143 1.00 0.00 C ATOM 647 CG LYS B 19 10.478 11.790 7.382 1.00 0.00 C ATOM 648 CD LYS B 19 9.119 12.382 7.722 1.00 0.00 C ATOM 649 CE LYS B 19 9.226 13.451 8.799 1.00 0.00 C ATOM 650 NZ LYS B 19 9.307 12.857 10.160 1.00 0.00 N ATOM 0 H LYS B 19 7.814 8.638 6.313 1.00 0.00 H new ATOM 0 HA LYS B 19 8.669 10.610 5.862 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.041 9.807 8.055 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.395 9.907 6.947 1.00 0.00 H new ATOM 0 HG2 LYS B 19 11.176 11.990 8.195 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.876 12.278 6.492 1.00 0.00 H new ATOM 0 HD2 LYS B 19 8.674 12.812 6.825 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.451 11.590 8.060 1.00 0.00 H new ATOM 0 HE2 LYS B 19 10.109 14.064 8.617 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.362 14.112 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.379 13.617 10.867 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.453 12.293 10.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.146 12.246 10.223 1.00 0.00 H new ATOM 664 N GLN B 20 9.962 8.949 3.765 1.00 0.00 N ATOM 665 CA GLN B 20 10.665 8.885 2.483 1.00 0.00 C ATOM 666 C GLN B 20 9.682 8.722 1.336 1.00 0.00 C ATOM 667 O GLN B 20 8.956 7.731 1.279 1.00 0.00 O ATOM 668 CB GLN B 20 11.661 7.725 2.477 1.00 0.00 C ATOM 669 CG GLN B 20 12.881 7.965 3.346 1.00 0.00 C ATOM 670 CD GLN B 20 13.466 6.679 3.887 1.00 0.00 C ATOM 671 OE1 GLN B 20 14.331 6.064 3.267 1.00 0.00 O ATOM 672 NE2 GLN B 20 12.990 6.261 5.048 1.00 0.00 N ATOM 0 H GLN B 20 9.249 8.231 3.897 1.00 0.00 H new ATOM 0 HA GLN B 20 11.207 9.821 2.350 1.00 0.00 H new ATOM 0 HB2 GLN B 20 11.155 6.822 2.818 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.986 7.542 1.453 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.640 8.490 2.765 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.609 8.615 4.177 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.272 6.802 5.529 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.341 5.397 5.462 1.00 0.00 H new ATOM 681 N ASP B 21 9.649 9.692 0.430 1.00 0.00 N ATOM 682 CA ASP B 21 8.739 9.636 -0.711 1.00 0.00 C ATOM 683 C ASP B 21 9.303 8.802 -1.842 1.00 0.00 C ATOM 684 O ASP B 21 10.426 9.004 -2.302 1.00 0.00 O ATOM 685 CB ASP B 21 8.336 11.030 -1.237 1.00 0.00 C ATOM 686 CG ASP B 21 9.378 12.113 -1.041 1.00 0.00 C ATOM 687 OD1 ASP B 21 9.771 12.368 0.121 1.00 0.00 O ATOM 688 OD2 ASP B 21 9.754 12.751 -2.044 1.00 0.00 O ATOM 0 H ASP B 21 10.238 10.524 0.461 1.00 0.00 H new ATOM 0 HA ASP B 21 7.836 9.156 -0.334 1.00 0.00 H new ATOM 0 HB2 ASP B 21 8.112 10.950 -2.301 1.00 0.00 H new ATOM 0 HB3 ASP B 21 7.416 11.337 -0.740 1.00 0.00 H new ATOM 693 N GLY B 22 8.509 7.836 -2.254 1.00 0.00 N ATOM 694 CA GLY B 22 8.877 6.966 -3.334 1.00 0.00 C ATOM 695 C GLY B 22 7.686 6.598 -4.180 1.00 0.00 C ATOM 696 O GLY B 22 6.863 7.448 -4.519 1.00 0.00 O ATOM 0 H GLY B 22 7.595 7.638 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.628 7.454 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.333 6.061 -2.933 1.00 0.00 H new ATOM 700 N ALA B 23 7.561 5.324 -4.474 1.00 0.00 N ATOM 701 CA ALA B 23 6.484 4.842 -5.301 1.00 0.00 C ATOM 702 C ALA B 23 5.943 3.539 -4.750 1.00 0.00 C ATOM 703 O ALA B 23 6.706 2.664 -4.336 1.00 0.00 O ATOM 704 CB ALA B 23 6.979 4.665 -6.720 1.00 0.00 C ATOM 0 H ALA B 23 8.200 4.599 -4.148 1.00 0.00 H new ATOM 0 HA ALA B 23 5.672 5.569 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.165 4.300 -7.346 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.332 5.622 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.797 3.945 -6.733 1.00 0.00 H new ATOM 710 N LEU B 24 4.630 3.409 -4.758 1.00 0.00 N ATOM 711 CA LEU B 24 3.981 2.220 -4.243 1.00 0.00 C ATOM 712 C LEU B 24 3.578 1.351 -5.427 1.00 0.00 C ATOM 713 O LEU B 24 2.816 1.777 -6.291 1.00 0.00 O ATOM 714 CB LEU B 24 2.753 2.622 -3.418 1.00 0.00 C ATOM 715 CG LEU B 24 2.398 1.717 -2.235 1.00 0.00 C ATOM 716 CD1 LEU B 24 0.990 2.013 -1.748 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.538 0.250 -2.584 1.00 0.00 C ATOM 0 H LEU B 24 3.990 4.117 -5.118 1.00 0.00 H new ATOM 0 HA LEU B 24 4.655 1.661 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.912 3.632 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.892 2.664 -4.086 1.00 0.00 H new ATOM 0 HG LEU B 24 3.105 1.932 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.752 1.362 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.926 3.054 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.281 1.836 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.277 -0.357 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.871 0.007 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.568 0.042 -2.875 1.00 0.00 H new ATOM 729 N TYR B 25 4.104 0.145 -5.475 1.00 0.00 N ATOM 730 CA TYR B 25 3.815 -0.763 -6.579 1.00 0.00 C ATOM 731 C TYR B 25 2.945 -1.938 -6.146 1.00 0.00 C ATOM 732 O TYR B 25 3.235 -2.613 -5.159 1.00 0.00 O ATOM 733 CB TYR B 25 5.114 -1.300 -7.188 1.00 0.00 C ATOM 734 CG TYR B 25 6.018 -0.239 -7.772 1.00 0.00 C ATOM 735 CD1 TYR B 25 6.966 0.403 -6.986 1.00 0.00 C ATOM 736 CD2 TYR B 25 5.930 0.112 -9.112 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.801 1.365 -7.520 1.00 0.00 C ATOM 738 CE2 TYR B 25 6.762 1.075 -9.652 1.00 0.00 C ATOM 739 CZ TYR B 25 7.695 1.697 -8.853 1.00 0.00 C ATOM 740 OH TYR B 25 8.525 2.654 -9.389 1.00 0.00 O ATOM 0 H TYR B 25 4.733 -0.234 -4.767 1.00 0.00 H new ATOM 0 HA TYR B 25 3.265 -0.187 -7.323 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.663 -1.844 -6.419 1.00 0.00 H new ATOM 0 HB3 TYR B 25 4.865 -2.017 -7.970 1.00 0.00 H new ATOM 0 HD1 TYR B 25 7.052 0.146 -5.941 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.200 -0.375 -9.742 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.534 1.855 -6.896 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.680 1.338 -10.696 1.00 0.00 H new ATOM 0 HH TYR B 25 8.321 2.768 -10.341 1.00 0.00 H new ATOM 750 N LEU B 26 1.876 -2.170 -6.892 1.00 0.00 N ATOM 751 CA LEU B 26 0.980 -3.285 -6.625 1.00 0.00 C ATOM 752 C LEU B 26 1.277 -4.397 -7.613 1.00 0.00 C ATOM 753 O LEU B 26 1.350 -4.143 -8.812 1.00 0.00 O ATOM 754 CB LEU B 26 -0.490 -2.881 -6.772 1.00 0.00 C ATOM 755 CG LEU B 26 -0.992 -1.811 -5.807 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.511 -1.791 -5.773 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.444 -2.043 -4.424 1.00 0.00 C ATOM 0 H LEU B 26 1.607 -1.597 -7.692 1.00 0.00 H new ATOM 0 HA LEU B 26 1.144 -3.613 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.648 -2.526 -7.790 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.105 -3.772 -6.646 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.639 -0.843 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.849 -1.021 -5.079 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.894 -1.575 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.880 -2.763 -5.445 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.814 -1.269 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.766 -3.020 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.645 -2.008 -4.453 1.00 0.00 H new ATOM 769 N MET B 27 1.467 -5.612 -7.126 1.00 0.00 N ATOM 770 CA MET B 27 1.743 -6.738 -8.005 1.00 0.00 C ATOM 771 C MET B 27 0.679 -7.809 -7.838 1.00 0.00 C ATOM 772 O MET B 27 0.001 -7.868 -6.818 1.00 0.00 O ATOM 773 CB MET B 27 3.123 -7.346 -7.734 1.00 0.00 C ATOM 774 CG MET B 27 4.270 -6.354 -7.798 1.00 0.00 C ATOM 775 SD MET B 27 5.824 -7.068 -7.222 1.00 0.00 S ATOM 776 CE MET B 27 6.922 -5.667 -7.403 1.00 0.00 C ATOM 0 H MET B 27 1.436 -5.844 -6.133 1.00 0.00 H new ATOM 0 HA MET B 27 1.731 -6.361 -9.028 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.115 -7.810 -6.748 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.305 -8.140 -8.458 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.390 -6.007 -8.824 1.00 0.00 H new ATOM 0 HG3 MET B 27 4.027 -5.481 -7.192 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.741 -5.752 -6.689 1.00 0.00 H new ATOM 0 HE2 MET B 27 7.324 -5.648 -8.416 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.371 -4.746 -7.214 1.00 0.00 H new ATOM 786 N ALA B 28 0.577 -8.663 -8.838 1.00 0.00 N ATOM 787 CA ALA B 28 -0.406 -9.745 -8.882 1.00 0.00 C ATOM 788 C ALA B 28 -0.528 -10.556 -7.589 1.00 0.00 C ATOM 789 O ALA B 28 -1.637 -10.922 -7.189 1.00 0.00 O ATOM 790 CB ALA B 28 -0.059 -10.675 -10.017 1.00 0.00 C ATOM 0 H ALA B 28 1.181 -8.630 -9.659 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.375 -9.266 -9.025 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.786 -11.486 -10.058 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.076 -10.124 -10.957 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.937 -11.089 -9.857 1.00 0.00 H new ATOM 796 N GLU B 29 0.592 -10.858 -6.945 1.00 0.00 N ATOM 797 CA GLU B 29 0.552 -11.664 -5.730 1.00 0.00 C ATOM 798 C GLU B 29 1.067 -10.918 -4.501 1.00 0.00 C ATOM 799 O GLU B 29 0.958 -11.419 -3.373 1.00 0.00 O ATOM 800 CB GLU B 29 1.357 -12.953 -5.932 1.00 0.00 C ATOM 801 CG GLU B 29 0.887 -13.794 -7.115 1.00 0.00 C ATOM 802 CD GLU B 29 0.100 -15.022 -6.700 1.00 0.00 C ATOM 803 OE1 GLU B 29 0.717 -15.986 -6.200 1.00 0.00 O ATOM 804 OE2 GLU B 29 -1.139 -15.032 -6.875 1.00 0.00 O ATOM 0 H GLU B 29 1.524 -10.564 -7.236 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.495 -11.900 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU B 29 2.407 -12.696 -6.075 1.00 0.00 H new ATOM 0 HB3 GLU B 29 1.297 -13.554 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.269 -13.178 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.754 -14.106 -7.698 1.00 0.00 H new ATOM 811 N ARG B 30 1.572 -9.707 -4.681 1.00 0.00 N ATOM 812 CA ARG B 30 2.120 -8.982 -3.532 1.00 0.00 C ATOM 813 C ARG B 30 2.245 -7.491 -3.775 1.00 0.00 C ATOM 814 O ARG B 30 2.125 -7.014 -4.895 1.00 0.00 O ATOM 815 CB ARG B 30 3.498 -9.544 -3.169 1.00 0.00 C ATOM 816 CG ARG B 30 4.559 -9.272 -4.219 1.00 0.00 C ATOM 817 CD ARG B 30 5.814 -10.091 -3.974 1.00 0.00 C ATOM 818 NE ARG B 30 6.566 -10.296 -5.209 1.00 0.00 N ATOM 819 CZ ARG B 30 6.251 -11.211 -6.125 1.00 0.00 C ATOM 820 NH1 ARG B 30 5.248 -12.056 -5.901 1.00 0.00 N ATOM 821 NH2 ARG B 30 6.943 -11.293 -7.256 1.00 0.00 N ATOM 0 H ARG B 30 1.617 -9.215 -5.574 1.00 0.00 H new ATOM 0 HA ARG B 30 1.416 -9.123 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.819 -9.114 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.414 -10.620 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.161 -9.503 -5.207 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.810 -8.211 -4.216 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.444 -9.585 -3.243 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.543 -11.056 -3.547 1.00 0.00 H new ATOM 0 HE ARG B 30 7.379 -9.705 -5.380 1.00 0.00 H new ATOM 0 HH11 ARG B 30 4.721 -12.003 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG B 30 5.006 -12.757 -6.601 1.00 0.00 H new ATOM 0 HH21 ARG B 30 7.719 -10.654 -7.426 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.698 -11.995 -7.954 1.00 0.00 H new ATOM 835 N ILE B 31 2.495 -6.769 -2.697 1.00 0.00 N ATOM 836 CA ILE B 31 2.673 -5.332 -2.745 1.00 0.00 C ATOM 837 C ILE B 31 4.155 -5.017 -2.555 1.00 0.00 C ATOM 838 O ILE B 31 4.880 -5.798 -1.932 1.00 0.00 O ATOM 839 CB ILE B 31 1.828 -4.629 -1.655 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.798 -3.117 -1.873 1.00 0.00 C ATOM 841 CG2 ILE B 31 2.356 -4.954 -0.263 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.872 -2.389 -0.923 1.00 0.00 C ATOM 0 H ILE B 31 2.580 -7.166 -1.761 1.00 0.00 H new ATOM 0 HA ILE B 31 2.334 -4.960 -3.712 1.00 0.00 H new ATOM 0 HB ILE B 31 0.808 -5.006 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.807 -2.721 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.489 -2.912 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.745 -4.448 0.485 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.312 -6.031 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.389 -4.616 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.901 -1.320 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.146 -2.758 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE B 31 1.193 -2.564 0.104 1.00 0.00 H new ATOM 854 N ALA B 32 4.617 -3.912 -3.112 1.00 0.00 N ATOM 855 CA ALA B 32 6.012 -3.531 -2.980 1.00 0.00 C ATOM 856 C ALA B 32 6.169 -2.021 -3.000 1.00 0.00 C ATOM 857 O ALA B 32 5.297 -1.303 -3.483 1.00 0.00 O ATOM 858 CB ALA B 32 6.842 -4.165 -4.081 1.00 0.00 C ATOM 0 H ALA B 32 4.049 -3.264 -3.658 1.00 0.00 H new ATOM 0 HA ALA B 32 6.372 -3.896 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.885 -3.869 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.764 -5.250 -4.017 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.474 -3.832 -5.052 1.00 0.00 H new ATOM 864 N TRP B 33 7.283 -1.543 -2.476 1.00 0.00 N ATOM 865 CA TRP B 33 7.545 -0.121 -2.436 1.00 0.00 C ATOM 866 C TRP B 33 9.020 0.160 -2.725 1.00 0.00 C ATOM 867 O TRP B 33 9.897 -0.612 -2.331 1.00 0.00 O ATOM 868 CB TRP B 33 7.130 0.454 -1.077 1.00 0.00 C ATOM 869 CG TRP B 33 7.199 1.942 -1.044 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.206 2.819 -1.364 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.334 2.729 -0.694 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.665 4.105 -1.248 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.967 4.073 -0.836 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.628 2.424 -0.276 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.847 5.111 -0.583 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.500 3.454 -0.020 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.110 4.788 -0.176 1.00 0.00 C ATOM 0 H TRP B 33 8.020 -2.122 -2.073 1.00 0.00 H new ATOM 0 HA TRP B 33 6.953 0.369 -3.209 1.00 0.00 H new ATOM 0 HB2 TRP B 33 6.114 0.135 -0.846 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.777 0.046 -0.300 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.206 2.542 -1.664 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.123 4.948 -1.438 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.939 1.397 -0.156 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.545 6.141 -0.703 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.504 3.230 0.307 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.820 5.576 0.029 1.00 0.00 H new ATOM 888 N ALA B 34 9.273 1.263 -3.420 1.00 0.00 N ATOM 889 CA ALA B 34 10.620 1.676 -3.791 1.00 0.00 C ATOM 890 C ALA B 34 10.715 3.197 -3.782 1.00 0.00 C ATOM 891 O ALA B 34 9.816 3.865 -4.285 1.00 0.00 O ATOM 892 CB ALA B 34 10.994 1.127 -5.161 1.00 0.00 C ATOM 0 H ALA B 34 8.544 1.899 -3.744 1.00 0.00 H new ATOM 0 HA ALA B 34 11.323 1.272 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.004 1.448 -5.418 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.953 0.038 -5.140 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.293 1.502 -5.907 1.00 0.00 H new ATOM 898 N PRO B 35 11.774 3.774 -3.188 1.00 0.00 N ATOM 899 CA PRO B 35 11.936 5.228 -3.134 1.00 0.00 C ATOM 900 C PRO B 35 12.075 5.840 -4.526 1.00 0.00 C ATOM 901 O PRO B 35 12.541 5.179 -5.461 1.00 0.00 O ATOM 902 CB PRO B 35 13.219 5.447 -2.328 1.00 0.00 C ATOM 903 CG PRO B 35 13.559 4.126 -1.719 1.00 0.00 C ATOM 904 CD PRO B 35 12.901 3.066 -2.560 1.00 0.00 C ATOM 0 HA PRO B 35 11.065 5.706 -2.685 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.027 5.799 -2.970 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.071 6.204 -1.558 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.639 3.981 -1.693 1.00 0.00 H new ATOM 0 HG3 PRO B 35 13.205 4.075 -0.689 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.586 2.662 -3.305 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.560 2.227 -1.953 1.00 0.00 H new ATOM 992 N PHE B 41 13.027 -2.616 -5.344 1.00 0.00 N ATOM 993 CA PHE B 41 12.028 -2.405 -4.303 1.00 0.00 C ATOM 994 C PHE B 41 12.623 -2.691 -2.931 1.00 0.00 C ATOM 995 O PHE B 41 13.221 -3.745 -2.710 1.00 0.00 O ATOM 996 CB PHE B 41 10.813 -3.304 -4.544 1.00 0.00 C ATOM 997 CG PHE B 41 10.349 -3.313 -5.973 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.534 -2.303 -6.458 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.735 -4.328 -6.834 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.112 -2.306 -7.774 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.316 -4.337 -8.150 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.503 -3.324 -8.621 1.00 0.00 C ATOM 0 HA PHE B 41 11.709 -1.363 -4.337 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.059 -4.322 -4.244 1.00 0.00 H new ATOM 0 HB3 PHE B 41 9.994 -2.973 -3.906 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.225 -1.504 -5.800 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.371 -5.122 -6.471 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.477 -1.513 -8.140 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.623 -5.135 -8.810 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.174 -3.328 -9.650 1.00 0.00 H new ATOM 1012 N THR B 42 12.455 -1.755 -2.017 1.00 0.00 N ATOM 1013 CA THR B 42 12.991 -1.887 -0.677 1.00 0.00 C ATOM 1014 C THR B 42 12.063 -2.686 0.230 1.00 0.00 C ATOM 1015 O THR B 42 12.515 -3.366 1.148 1.00 0.00 O ATOM 1016 CB THR B 42 13.229 -0.499 -0.065 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.277 0.432 -0.598 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.636 -0.013 -0.362 1.00 0.00 C ATOM 0 H THR B 42 11.946 -0.886 -2.181 1.00 0.00 H new ATOM 0 HA THR B 42 13.935 -2.426 -0.756 1.00 0.00 H new ATOM 0 HB THR B 42 13.108 -0.572 1.016 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.322 1.271 -0.094 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.782 0.972 0.081 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.359 -0.711 0.060 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.779 0.050 -1.441 1.00 0.00 H new ATOM 1026 N ILE B 43 10.770 -2.609 -0.042 1.00 0.00 N ATOM 1027 CA ILE B 43 9.780 -3.304 0.766 1.00 0.00 C ATOM 1028 C ILE B 43 8.815 -4.101 -0.108 1.00 0.00 C ATOM 1029 O ILE B 43 8.402 -3.634 -1.167 1.00 0.00 O ATOM 1030 CB ILE B 43 8.998 -2.291 1.640 1.00 0.00 C ATOM 1031 CG1 ILE B 43 9.838 -1.891 2.856 1.00 0.00 C ATOM 1032 CG2 ILE B 43 7.652 -2.851 2.081 1.00 0.00 C ATOM 1033 CD1 ILE B 43 9.212 -0.799 3.697 1.00 0.00 C ATOM 0 H ILE B 43 10.381 -2.072 -0.817 1.00 0.00 H new ATOM 0 HA ILE B 43 10.305 -4.005 1.415 1.00 0.00 H new ATOM 0 HB ILE B 43 8.801 -1.406 1.035 1.00 0.00 H new ATOM 0 HG12 ILE B 43 9.999 -2.770 3.480 1.00 0.00 H new ATOM 0 HG13 ILE B 43 10.818 -1.558 2.515 1.00 0.00 H new ATOM 0 HG21 ILE B 43 7.133 -2.112 2.692 1.00 0.00 H new ATOM 0 HG22 ILE B 43 7.049 -3.084 1.203 1.00 0.00 H new ATOM 0 HG23 ILE B 43 7.809 -3.758 2.664 1.00 0.00 H new ATOM 0 HD11 ILE B 43 9.864 -0.569 4.539 1.00 0.00 H new ATOM 0 HD12 ILE B 43 9.076 0.096 3.089 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.244 -1.136 4.069 1.00 0.00 H new ATOM 1045 N SER B 44 8.494 -5.315 0.324 1.00 0.00 N ATOM 1046 CA SER B 44 7.563 -6.175 -0.383 1.00 0.00 C ATOM 1047 C SER B 44 6.797 -7.024 0.628 1.00 0.00 C ATOM 1048 O SER B 44 7.384 -7.526 1.587 1.00 0.00 O ATOM 1049 CB SER B 44 8.312 -7.066 -1.374 1.00 0.00 C ATOM 1050 OG SER B 44 7.433 -7.587 -2.359 1.00 0.00 O ATOM 0 H SER B 44 8.874 -5.728 1.176 1.00 0.00 H new ATOM 0 HA SER B 44 6.858 -5.563 -0.945 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.104 -6.493 -1.856 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.791 -7.886 -0.840 1.00 0.00 H new ATOM 0 HG SER B 44 6.581 -7.103 -2.326 1.00 0.00 H new ATOM 1056 N HIS B 45 5.495 -7.179 0.418 1.00 0.00 N ATOM 1057 CA HIS B 45 4.654 -7.946 1.316 1.00 0.00 C ATOM 1058 C HIS B 45 3.619 -8.690 0.507 1.00 0.00 C ATOM 1059 O HIS B 45 2.911 -8.091 -0.305 1.00 0.00 O ATOM 1060 CB HIS B 45 3.940 -7.042 2.337 1.00 0.00 C ATOM 1061 CG HIS B 45 4.850 -6.227 3.211 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.745 -6.766 4.108 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.985 -4.878 3.313 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.382 -5.754 4.713 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.958 -4.589 4.265 1.00 0.00 N ATOM 0 H HIS B 45 4.999 -6.777 -0.377 1.00 0.00 H new ATOM 0 HA HIS B 45 5.289 -8.641 1.865 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.277 -6.365 1.799 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.312 -7.665 2.974 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.427 -4.148 2.746 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.143 -5.877 5.469 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.278 -3.665 4.556 1.00 0.00 H new ATOM 1073 N MET B 46 3.549 -9.986 0.695 1.00 0.00 N ATOM 1074 CA MET B 46 2.572 -10.785 -0.006 1.00 0.00 C ATOM 1075 C MET B 46 1.206 -10.462 0.571 1.00 0.00 C ATOM 1076 O MET B 46 1.088 -10.235 1.774 1.00 0.00 O ATOM 1077 CB MET B 46 2.880 -12.267 0.167 1.00 0.00 C ATOM 1078 CG MET B 46 4.095 -12.751 -0.607 1.00 0.00 C ATOM 1079 SD MET B 46 3.787 -12.916 -2.377 1.00 0.00 S ATOM 1080 CE MET B 46 5.265 -13.789 -2.883 1.00 0.00 C ATOM 0 H MET B 46 4.156 -10.509 1.326 1.00 0.00 H new ATOM 0 HA MET B 46 2.595 -10.560 -1.072 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.034 -12.472 1.226 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.011 -12.845 -0.147 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.919 -12.054 -0.451 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.412 -13.714 -0.208 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.231 -13.970 -3.957 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.142 -13.188 -2.644 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.323 -14.742 -2.356 1.00 0.00 H new ATOM 1090 N TYR B 47 0.182 -10.412 -0.265 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.165 -10.105 0.232 1.00 0.00 C ATOM 1092 C TYR B 47 -1.622 -11.130 1.273 1.00 0.00 C ATOM 1093 O TYR B 47 -2.539 -10.870 2.045 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.182 -10.023 -0.906 1.00 0.00 C ATOM 1095 CG TYR B 47 -1.828 -9.011 -1.970 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.477 -7.713 -1.633 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -1.845 -9.356 -3.312 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.154 -6.788 -2.602 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.523 -8.436 -4.288 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.178 -7.153 -3.926 1.00 0.00 C ATOM 1101 OH TYR B 47 -0.854 -6.232 -4.895 1.00 0.00 O ATOM 0 H TYR B 47 0.245 -10.575 -1.270 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.110 -9.127 0.710 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.275 -11.005 -1.369 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.158 -9.773 -0.491 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.456 -7.422 -0.593 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.115 -10.362 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.883 -5.781 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.541 -8.720 -5.330 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.327 -6.668 -5.597 1.00 0.00 H new ATOM 1111 N ALA B 48 -0.980 -12.294 1.281 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.297 -13.342 2.242 1.00 0.00 C ATOM 1113 C ALA B 48 -0.777 -12.975 3.624 1.00 0.00 C ATOM 1114 O ALA B 48 -1.335 -13.387 4.634 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.705 -14.672 1.800 1.00 0.00 C ATOM 0 H ALA B 48 -0.234 -12.535 0.629 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.381 -13.441 2.290 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.953 -15.442 2.531 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.116 -14.948 0.829 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.378 -14.580 1.723 1.00 0.00 H new ATOM 1121 N ASP B 49 0.296 -12.189 3.656 1.00 0.00 N ATOM 1122 CA ASP B 49 0.894 -11.764 4.916 1.00 0.00 C ATOM 1123 C ASP B 49 0.169 -10.544 5.445 1.00 0.00 C ATOM 1124 O ASP B 49 0.423 -10.096 6.558 1.00 0.00 O ATOM 1125 CB ASP B 49 2.382 -11.421 4.755 1.00 0.00 C ATOM 1126 CG ASP B 49 3.146 -12.404 3.892 1.00 0.00 C ATOM 1127 OD1 ASP B 49 3.022 -13.626 4.121 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.878 -11.947 2.985 1.00 0.00 O ATOM 0 H ASP B 49 0.768 -11.834 2.824 1.00 0.00 H new ATOM 0 HA ASP B 49 0.804 -12.596 5.615 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.471 -10.425 4.321 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.845 -11.381 5.741 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.718 -9.999 4.635 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.491 -8.838 5.023 1.00 0.00 C ATOM 1135 C ILE B 50 -2.809 -9.284 5.635 1.00 0.00 C ATOM 1136 O ILE B 50 -3.710 -9.740 4.933 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.771 -7.923 3.821 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.462 -7.502 3.151 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.574 -6.704 4.251 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.665 -6.731 1.867 1.00 0.00 C ATOM 0 H ILE B 50 -0.921 -10.346 3.698 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.910 -8.275 5.753 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.362 -8.480 3.094 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.113 -6.890 3.846 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.133 -8.391 2.942 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.762 -6.068 3.386 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.524 -7.026 4.678 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.012 -6.143 4.998 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.304 -6.464 1.446 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -1.213 -7.348 1.155 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.233 -5.824 2.073 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.915 -9.154 6.944 1.00 0.00 N ATOM 1153 CA LYS B 51 -4.112 -9.565 7.648 1.00 0.00 C ATOM 1154 C LYS B 51 -5.259 -8.591 7.399 1.00 0.00 C ATOM 1155 O LYS B 51 -6.418 -9.003 7.309 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.821 -9.696 9.146 1.00 0.00 C ATOM 1157 CG LYS B 51 -5.031 -10.098 9.971 1.00 0.00 C ATOM 1158 CD LYS B 51 -5.632 -8.898 10.672 1.00 0.00 C ATOM 1159 CE LYS B 51 -7.125 -9.070 10.909 1.00 0.00 C ATOM 1160 NZ LYS B 51 -7.890 -9.174 9.633 1.00 0.00 N ATOM 0 H LYS B 51 -2.185 -8.766 7.541 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.420 -10.538 7.266 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -3.032 -10.434 9.291 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.439 -8.745 9.517 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.779 -10.559 9.326 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.741 -10.847 10.708 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -5.128 -8.745 11.626 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -5.460 -8.004 10.073 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -7.295 -9.965 11.507 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -7.499 -8.225 11.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -8.701 -8.524 9.660 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -7.271 -8.922 8.836 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -8.232 -10.149 9.512 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.948 -7.305 7.299 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.983 -6.300 7.057 1.00 0.00 C ATOM 1176 C CYS B 52 -5.395 -5.000 6.534 1.00 0.00 C ATOM 1177 O CYS B 52 -4.184 -4.796 6.577 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.789 -6.021 8.328 1.00 0.00 C ATOM 1179 SG CYS B 52 -5.813 -5.722 9.812 1.00 0.00 S ATOM 0 H CYS B 52 -4.002 -6.933 7.380 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.647 -6.710 6.296 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -7.425 -5.154 8.151 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.449 -6.868 8.513 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.608 -5.497 10.816 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.262 -4.118 6.050 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.830 -2.840 5.529 1.00 0.00 C ATOM 1187 C GLN B 53 -6.684 -1.739 6.124 1.00 0.00 C ATOM 1188 O GLN B 53 -7.882 -1.916 6.335 1.00 0.00 O ATOM 1189 CB GLN B 53 -5.934 -2.809 4.001 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.361 -2.878 3.478 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.457 -2.535 2.007 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -6.538 -2.799 1.238 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.566 -1.935 1.606 1.00 0.00 N ATOM 0 H GLN B 53 -7.270 -4.271 6.010 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.786 -2.687 5.803 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.467 -1.895 3.633 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.367 -3.645 3.591 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.756 -3.881 3.640 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.987 -2.193 4.049 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.307 -1.733 2.277 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.679 -1.675 0.626 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.065 -0.626 6.440 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.790 0.498 6.973 1.00 0.00 C ATOM 1204 C LYS B 54 -6.602 1.682 6.058 1.00 0.00 C ATOM 1205 O LYS B 54 -5.690 1.698 5.230 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.301 0.937 8.343 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.703 -0.104 9.262 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.438 0.570 10.601 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.703 -0.314 11.798 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.141 0.481 12.975 1.00 0.00 N ATOM 0 H LYS B 54 -5.061 -0.477 6.337 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.829 0.177 7.055 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.554 1.717 8.194 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.141 1.396 8.864 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.385 -0.946 9.384 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.779 -0.501 8.842 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.400 0.902 10.630 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.060 1.462 10.676 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.469 -1.048 11.547 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.799 -0.870 12.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.428 -0.162 13.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.356 1.080 13.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.947 1.082 12.708 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.432 2.694 6.233 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.302 3.911 5.422 1.00 0.00 C ATOM 1226 C ILE B 55 -7.436 5.190 6.258 1.00 0.00 C ATOM 1227 O ILE B 55 -8.434 5.392 6.950 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.297 3.945 4.244 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.741 3.856 4.715 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.008 2.811 3.283 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.702 3.668 3.569 1.00 0.00 C ATOM 0 H ILE B 55 -8.192 2.708 6.913 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.293 3.878 5.012 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.167 4.902 3.738 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.843 3.025 5.413 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -10.001 4.764 5.260 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.717 2.846 2.456 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -6.994 2.911 2.896 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.105 1.859 3.804 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.720 3.610 3.954 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.621 4.512 2.884 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.461 2.746 3.040 1.00 0.00 H new ATOM 1243 N SER B 56 -6.385 6.024 6.239 1.00 0.00 N ATOM 1244 CA SER B 56 -6.398 7.287 6.971 1.00 0.00 C ATOM 1245 C SER B 56 -7.153 8.351 6.200 1.00 0.00 C ATOM 1246 O SER B 56 -6.743 8.727 5.086 1.00 0.00 O ATOM 1247 CB SER B 56 -4.992 7.789 7.242 1.00 0.00 C ATOM 1248 OG SER B 56 -4.398 7.086 8.312 1.00 0.00 O ATOM 0 H SER B 56 -5.522 5.843 5.726 1.00 0.00 H new ATOM 0 HA SER B 56 -6.897 7.095 7.921 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.383 7.675 6.345 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.021 8.854 7.474 1.00 0.00 H new ATOM 0 HG SER B 56 -4.204 6.167 8.032 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.218 8.874 6.837 1.00 0.00 N ATOM 1255 CA PRO B 57 -9.120 9.890 6.275 1.00 0.00 C ATOM 1256 C PRO B 57 -8.490 11.265 6.115 1.00 0.00 C ATOM 1257 O PRO B 57 -7.364 11.515 6.558 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.213 10.014 7.328 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.543 9.630 8.594 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.614 8.521 8.214 1.00 0.00 C ATOM 0 HA PRO B 57 -9.439 9.587 5.278 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.605 11.030 7.377 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.055 9.357 7.108 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.000 10.471 9.025 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.266 9.302 9.341 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.753 8.470 8.881 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.107 7.550 8.255 1.00 0.00 H new ATOM 1268 N GLU B 58 -9.241 12.147 5.475 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.833 13.524 5.290 1.00 0.00 C ATOM 1270 C GLU B 58 -8.895 14.236 6.639 1.00 0.00 C ATOM 1271 O GLU B 58 -9.666 13.847 7.517 1.00 0.00 O ATOM 1272 CB GLU B 58 -9.757 14.223 4.286 1.00 0.00 C ATOM 1273 CG GLU B 58 -9.441 13.926 2.825 1.00 0.00 C ATOM 1274 CD GLU B 58 -9.429 12.443 2.501 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -10.309 11.703 2.999 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -8.530 12.009 1.762 1.00 0.00 O ATOM 0 H GLU B 58 -10.151 11.925 5.070 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.816 13.555 4.898 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.786 13.926 4.490 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.699 15.300 4.446 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -10.178 14.423 2.193 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -8.469 14.353 2.577 1.00 0.00 H new ATOM 1283 N GLY B 59 -8.090 15.265 6.803 1.00 0.00 N ATOM 1284 CA GLY B 59 -8.065 15.992 8.056 1.00 0.00 C ATOM 1285 C GLY B 59 -6.647 16.193 8.518 1.00 0.00 C ATOM 1286 O GLY B 59 -6.295 17.237 9.062 1.00 0.00 O ATOM 0 H GLY B 59 -7.449 15.615 6.091 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.554 16.958 7.933 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.627 15.444 8.813 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.831 15.172 8.302 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.424 15.235 8.644 1.00 0.00 C ATOM 1292 C LYS B 60 -3.695 16.026 7.573 1.00 0.00 C ATOM 1293 O LYS B 60 -4.271 16.357 6.537 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.806 13.833 8.715 1.00 0.00 C ATOM 1295 CG LYS B 60 -3.849 13.165 10.080 1.00 0.00 C ATOM 1296 CD LYS B 60 -2.699 12.173 10.215 1.00 0.00 C ATOM 1297 CE LYS B 60 -2.830 11.285 11.443 1.00 0.00 C ATOM 1298 NZ LYS B 60 -2.885 12.068 12.709 1.00 0.00 N ATOM 0 H LYS B 60 -6.124 14.287 7.889 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.328 15.711 9.620 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.321 13.192 8.000 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.766 13.897 8.394 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -3.783 13.919 10.865 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.801 12.650 10.212 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.657 11.548 9.323 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -1.757 12.720 10.266 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.732 10.679 11.355 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.986 10.597 11.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -2.889 11.417 13.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -2.054 12.691 12.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -3.751 12.644 12.724 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.426 16.307 7.808 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.622 17.021 6.830 1.00 0.00 C ATOM 1314 C ALA B 61 -1.092 16.028 5.804 1.00 0.00 C ATOM 1315 O ALA B 61 -0.216 16.343 5.000 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.477 17.754 7.516 1.00 0.00 C ATOM 0 H ALA B 61 -1.931 16.054 8.663 1.00 0.00 H new ATOM 0 HA ALA B 61 -2.237 17.765 6.324 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.115 18.283 6.770 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.880 18.469 8.233 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.155 17.035 8.037 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.646 14.817 5.853 1.00 0.00 N ATOM 1323 CA LYS B 62 -1.255 13.737 4.966 1.00 0.00 C ATOM 1324 C LYS B 62 -2.276 12.600 5.014 1.00 0.00 C ATOM 1325 O LYS B 62 -2.797 12.264 6.081 1.00 0.00 O ATOM 1326 CB LYS B 62 0.129 13.214 5.356 1.00 0.00 C ATOM 1327 CG LYS B 62 0.353 13.100 6.858 1.00 0.00 C ATOM 1328 CD LYS B 62 1.713 12.497 7.172 1.00 0.00 C ATOM 1329 CE LYS B 62 1.953 12.399 8.671 1.00 0.00 C ATOM 1330 NZ LYS B 62 0.971 11.505 9.341 1.00 0.00 N ATOM 0 H LYS B 62 -2.381 14.563 6.513 1.00 0.00 H new ATOM 0 HA LYS B 62 -1.218 14.124 3.948 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.276 12.234 4.903 1.00 0.00 H new ATOM 0 HB3 LYS B 62 0.887 13.876 4.936 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.277 14.087 7.315 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.431 12.483 7.298 1.00 0.00 H new ATOM 0 HD2 LYS B 62 1.782 11.505 6.727 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.495 13.106 6.717 1.00 0.00 H new ATOM 0 HE2 LYS B 62 2.962 12.028 8.852 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.895 13.394 9.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.350 12.070 9.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 0.397 11.019 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 1.478 10.800 9.914 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.564 12.029 3.852 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.508 10.919 3.730 1.00 0.00 C ATOM 1346 C ILE B 63 -2.729 9.606 3.812 1.00 0.00 C ATOM 1347 O ILE B 63 -1.615 9.530 3.291 1.00 0.00 O ATOM 1348 CB ILE B 63 -4.278 11.006 2.387 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -5.294 12.152 2.425 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.972 9.696 2.053 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -4.746 13.471 1.919 1.00 0.00 C ATOM 0 H ILE B 63 -2.151 12.320 2.966 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.238 10.967 4.538 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.549 11.205 1.602 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -6.162 11.876 1.826 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.642 12.283 3.450 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.501 9.796 1.105 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.230 8.901 1.973 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.683 9.450 2.841 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -5.523 14.234 1.976 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.896 13.771 2.532 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -4.424 13.358 0.884 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.279 8.564 4.448 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.507 7.319 4.556 1.00 0.00 C ATOM 1365 C GLN B 64 -3.316 6.056 4.250 1.00 0.00 C ATOM 1366 O GLN B 64 -4.545 6.053 4.267 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.886 7.161 5.955 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.785 8.151 6.305 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.205 9.203 7.322 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.621 10.280 7.390 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.205 8.903 8.135 1.00 0.00 N ATOM 0 H GLN B 64 -4.205 8.552 4.875 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.730 7.415 3.797 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.680 7.252 6.697 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.483 6.152 6.041 1.00 0.00 H new ATOM 0 HG2 GLN B 64 0.072 7.603 6.696 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.456 8.651 5.394 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.673 8.000 8.056 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.508 9.575 8.840 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.573 4.987 3.972 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.107 3.655 3.701 1.00 0.00 C ATOM 1382 C LEU B 65 -2.185 2.652 4.390 1.00 0.00 C ATOM 1383 O LEU B 65 -1.029 2.538 4.011 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.105 3.365 2.210 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.165 2.377 1.740 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.418 3.107 1.330 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.620 1.522 0.611 1.00 0.00 C ATOM 0 H LEU B 65 -1.555 5.025 3.928 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.132 3.587 4.065 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.243 4.304 1.673 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.124 2.980 1.932 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.425 1.713 2.564 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.166 2.387 0.997 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.807 3.667 2.180 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.189 3.795 0.516 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.387 0.820 0.284 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.333 2.161 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.748 0.970 0.961 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.660 1.920 5.382 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.773 1.008 6.098 1.00 0.00 C ATOM 1401 C GLN B 66 -2.249 -0.428 6.054 1.00 0.00 C ATOM 1402 O GLN B 66 -3.444 -0.702 5.961 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.582 1.449 7.551 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.692 1.007 8.479 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.172 0.321 9.724 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.759 -0.832 9.672 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.224 1.009 10.856 1.00 0.00 N ATOM 0 H GLN B 66 -3.627 1.933 5.707 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.814 1.051 5.581 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.635 1.053 7.919 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.507 2.536 7.583 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.286 1.874 8.768 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -3.358 0.328 7.946 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.575 1.967 10.855 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.913 0.581 11.728 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.292 -1.333 6.116 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.574 -2.751 6.093 1.00 0.00 C ATOM 1418 C LEU B 67 -1.108 -3.414 7.383 1.00 0.00 C ATOM 1419 O LEU B 67 0.054 -3.287 7.770 1.00 0.00 O ATOM 1420 CB LEU B 67 -0.870 -3.400 4.901 1.00 0.00 C ATOM 1421 CG LEU B 67 -0.992 -2.632 3.589 1.00 0.00 C ATOM 1422 CD1 LEU B 67 0.148 -2.995 2.653 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.335 -2.904 2.932 1.00 0.00 C ATOM 0 H LEU B 67 -0.300 -1.105 6.184 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.652 -2.887 6.000 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.187 -3.516 5.141 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.276 -4.401 4.758 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.930 -1.566 3.807 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.045 -2.438 1.722 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.099 -2.744 3.123 1.00 0.00 H new ATOM 0 HD13 LEU B 67 0.119 -4.064 2.442 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.402 -2.347 1.998 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.430 -3.970 2.727 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.137 -2.590 3.600 1.00 0.00 H new ATOM 1435 N VAL B 68 -2.026 -4.090 8.051 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.714 -4.817 9.272 1.00 0.00 C ATOM 1437 C VAL B 68 -1.337 -6.223 8.868 1.00 0.00 C ATOM 1438 O VAL B 68 -2.184 -6.986 8.407 1.00 0.00 O ATOM 1439 CB VAL B 68 -2.902 -4.851 10.256 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.568 -5.681 11.488 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.314 -3.441 10.654 1.00 0.00 C ATOM 0 H VAL B 68 -3.003 -4.151 7.766 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.899 -4.314 9.792 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.743 -5.323 9.749 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.423 -5.688 12.165 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.335 -6.702 11.187 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.707 -5.248 11.996 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.153 -3.489 11.348 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.474 -2.938 11.134 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.610 -2.884 9.765 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.073 -6.562 9.015 1.00 0.00 N ATOM 1452 CA LEU B 69 0.393 -7.863 8.585 1.00 0.00 C ATOM 1453 C LEU B 69 0.305 -8.918 9.677 1.00 0.00 C ATOM 1454 O LEU B 69 0.174 -8.609 10.861 1.00 0.00 O ATOM 1455 CB LEU B 69 1.819 -7.775 8.057 1.00 0.00 C ATOM 1456 CG LEU B 69 2.169 -6.474 7.336 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.618 -6.489 6.886 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.255 -6.250 6.145 1.00 0.00 C ATOM 0 H LEU B 69 0.643 -5.962 9.424 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.274 -8.179 7.783 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.507 -7.905 8.892 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.988 -8.607 7.373 1.00 0.00 H new ATOM 0 HG LEU B 69 2.026 -5.652 8.038 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.850 -5.555 6.374 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.268 -6.598 7.754 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.779 -7.325 6.205 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.525 -5.318 5.649 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.362 -7.078 5.444 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.221 -6.194 6.485 1.00 0.00 H new ATOM 1470 N HIS B 70 0.382 -10.173 9.243 1.00 0.00 N ATOM 1471 CA HIS B 70 0.321 -11.332 10.137 1.00 0.00 C ATOM 1472 C HIS B 70 1.516 -11.371 11.085 1.00 0.00 C ATOM 1473 O HIS B 70 1.500 -12.086 12.084 1.00 0.00 O ATOM 1474 CB HIS B 70 0.272 -12.634 9.325 1.00 0.00 C ATOM 1475 CG HIS B 70 -0.992 -12.805 8.541 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.667 -11.912 7.785 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -1.720 -13.971 8.485 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -2.807 -12.509 7.271 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -2.793 -13.742 7.718 1.00 0.00 N flip ATOM 0 H HIS B 70 0.489 -10.419 8.259 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.588 -11.237 10.731 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.120 -12.658 8.641 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.386 -13.480 10.003 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -1.471 -14.902 8.972 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.552 -12.054 6.635 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -3.509 -14.438 7.508 1.00 0.00 H new ATOM 1487 N ALA B 71 2.551 -10.604 10.767 1.00 0.00 N ATOM 1488 CA ALA B 71 3.744 -10.555 11.598 1.00 0.00 C ATOM 1489 C ALA B 71 3.516 -9.671 12.819 1.00 0.00 C ATOM 1490 O ALA B 71 4.295 -9.695 13.770 1.00 0.00 O ATOM 1491 CB ALA B 71 4.933 -10.056 10.790 1.00 0.00 C ATOM 0 H ALA B 71 2.587 -10.008 9.940 1.00 0.00 H new ATOM 0 HA ALA B 71 3.962 -11.565 11.946 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.818 -10.025 11.426 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.112 -10.730 9.952 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.722 -9.055 10.413 1.00 0.00 H new ATOM 1497 N GLY B 72 2.436 -8.898 12.787 1.00 0.00 N ATOM 1498 CA GLY B 72 2.122 -8.021 13.898 1.00 0.00 C ATOM 1499 C GLY B 72 2.554 -6.595 13.642 1.00 0.00 C ATOM 1500 O GLY B 72 2.302 -5.705 14.455 1.00 0.00 O ATOM 0 H GLY B 72 1.773 -8.863 12.012 1.00 0.00 H new ATOM 0 HA2 GLY B 72 1.048 -8.045 14.085 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.611 -8.390 14.799 1.00 0.00 H new ATOM 1504 N ASP B 73 3.205 -6.377 12.510 1.00 0.00 N ATOM 1505 CA ASP B 73 3.675 -5.053 12.139 1.00 0.00 C ATOM 1506 C ASP B 73 2.673 -4.389 11.204 1.00 0.00 C ATOM 1507 O ASP B 73 1.761 -5.042 10.687 1.00 0.00 O ATOM 1508 CB ASP B 73 5.052 -5.137 11.475 1.00 0.00 C ATOM 1509 CG ASP B 73 5.005 -5.810 10.120 1.00 0.00 C ATOM 1510 OD1 ASP B 73 4.560 -6.979 10.048 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.417 -5.172 9.130 1.00 0.00 O ATOM 0 H ASP B 73 3.420 -7.105 11.829 1.00 0.00 H new ATOM 0 HA ASP B 73 3.768 -4.449 13.042 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.459 -4.132 11.363 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.732 -5.686 12.126 1.00 0.00 H new ATOM 1516 N THR B 74 2.831 -3.090 10.994 1.00 0.00 N ATOM 1517 CA THR B 74 1.922 -2.347 10.141 1.00 0.00 C ATOM 1518 C THR B 74 2.678 -1.413 9.202 1.00 0.00 C ATOM 1519 O THR B 74 3.567 -0.672 9.632 1.00 0.00 O ATOM 1520 CB THR B 74 0.948 -1.501 10.989 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.688 -0.562 11.782 1.00 0.00 O ATOM 1522 CG2 THR B 74 0.103 -2.378 11.904 1.00 0.00 C ATOM 0 H THR B 74 3.580 -2.532 11.403 1.00 0.00 H new ATOM 0 HA THR B 74 1.368 -3.079 9.553 1.00 0.00 H new ATOM 0 HB THR B 74 0.281 -0.972 10.308 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.517 -0.323 11.317 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.572 -1.751 12.487 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.479 -3.077 11.303 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.754 -2.935 12.578 1.00 0.00 H new ATOM 1530 N THR B 75 2.318 -1.442 7.929 1.00 0.00 N ATOM 1531 CA THR B 75 2.939 -0.579 6.939 1.00 0.00 C ATOM 1532 C THR B 75 1.987 0.562 6.582 1.00 0.00 C ATOM 1533 O THR B 75 1.066 0.372 5.791 1.00 0.00 O ATOM 1534 CB THR B 75 3.276 -1.375 5.662 1.00 0.00 C ATOM 1535 OG1 THR B 75 3.216 -2.782 5.935 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.660 -1.010 5.145 1.00 0.00 C ATOM 0 H THR B 75 1.595 -2.057 7.556 1.00 0.00 H new ATOM 0 HA THR B 75 3.860 -0.176 7.360 1.00 0.00 H new ATOM 0 HB THR B 75 2.543 -1.121 4.896 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.429 -3.283 5.120 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.875 -1.584 4.244 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.693 0.055 4.913 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.405 -1.238 5.907 1.00 0.00 H new ATOM 1544 N ASN B 76 2.189 1.745 7.168 1.00 0.00 N ATOM 1545 CA ASN B 76 1.310 2.876 6.883 1.00 0.00 C ATOM 1546 C ASN B 76 1.903 3.698 5.741 1.00 0.00 C ATOM 1547 O ASN B 76 2.949 4.331 5.892 1.00 0.00 O ATOM 1548 CB ASN B 76 1.087 3.764 8.127 1.00 0.00 C ATOM 1549 CG ASN B 76 1.201 3.010 9.443 1.00 0.00 C ATOM 1550 OD1 ASN B 76 2.300 2.669 9.880 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.077 2.776 10.101 1.00 0.00 N ATOM 0 H ASN B 76 2.940 1.941 7.830 1.00 0.00 H new ATOM 0 HA ASN B 76 0.335 2.485 6.592 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.815 4.575 8.119 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.099 4.221 8.064 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.103 2.298 11.002 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.816 3.073 9.707 1.00 0.00 H new ATOM 1558 N PHE B 77 1.228 3.671 4.603 1.00 0.00 N ATOM 1559 CA PHE B 77 1.671 4.382 3.409 1.00 0.00 C ATOM 1560 C PHE B 77 1.123 5.803 3.381 1.00 0.00 C ATOM 1561 O PHE B 77 -0.087 6.010 3.388 1.00 0.00 O ATOM 1562 CB PHE B 77 1.241 3.628 2.149 1.00 0.00 C ATOM 1563 CG PHE B 77 2.146 2.479 1.805 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.472 2.705 1.470 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.675 1.176 1.812 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.311 1.657 1.151 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.511 0.123 1.491 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.830 0.363 1.160 1.00 0.00 C ATOM 0 H PHE B 77 0.357 3.156 4.478 1.00 0.00 H new ATOM 0 HA PHE B 77 2.759 4.437 3.436 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.227 3.254 2.287 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.213 4.323 1.310 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.854 3.715 1.459 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.645 0.981 2.071 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.342 1.849 0.895 1.00 0.00 H new ATOM 0 HE2 PHE B 77 2.132 -0.888 1.499 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.484 -0.459 0.909 1.00 0.00 H new ATOM 1578 N HIS B 78 2.024 6.769 3.359 1.00 0.00 N ATOM 1579 CA HIS B 78 1.662 8.178 3.335 1.00 0.00 C ATOM 1580 C HIS B 78 1.637 8.703 1.898 1.00 0.00 C ATOM 1581 O HIS B 78 2.662 8.743 1.227 1.00 0.00 O ATOM 1582 CB HIS B 78 2.675 8.947 4.204 1.00 0.00 C ATOM 1583 CG HIS B 78 2.762 10.436 3.986 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.833 11.196 4.407 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.914 11.303 3.375 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.607 12.464 4.046 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.460 12.583 3.417 1.00 0.00 N ATOM 0 H HIS B 78 3.030 6.600 3.357 1.00 0.00 H new ATOM 0 HA HIS B 78 0.660 8.320 3.739 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.428 8.770 5.251 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.663 8.520 4.033 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.967 11.041 2.928 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.281 13.284 4.246 1.00 0.00 H new ATOM 0 HE2 HIS B 78 2.053 13.438 3.037 1.00 0.00 H new ATOM 1595 N PHE B 79 0.466 9.105 1.430 1.00 0.00 N ATOM 1596 CA PHE B 79 0.338 9.646 0.084 1.00 0.00 C ATOM 1597 C PHE B 79 0.588 11.147 0.125 1.00 0.00 C ATOM 1598 O PHE B 79 -0.277 11.916 0.539 1.00 0.00 O ATOM 1599 CB PHE B 79 -1.048 9.363 -0.510 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.307 7.913 -0.809 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.411 6.982 0.211 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.459 7.487 -2.115 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.660 5.652 -0.069 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.713 6.161 -2.401 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.813 5.242 -1.378 1.00 0.00 C ATOM 0 H PHE B 79 -0.406 9.068 1.958 1.00 0.00 H new ATOM 0 HA PHE B 79 1.075 9.159 -0.554 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.808 9.720 0.185 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.161 9.938 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -1.296 7.299 1.237 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.378 8.201 -2.922 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.735 4.935 0.735 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.833 5.843 -3.426 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.011 4.204 -1.600 1.00 0.00 H new ATOM 1615 N SER B 80 1.776 11.560 -0.295 1.00 0.00 N ATOM 1616 CA SER B 80 2.137 12.971 -0.279 1.00 0.00 C ATOM 1617 C SER B 80 1.821 13.655 -1.602 1.00 0.00 C ATOM 1618 O SER B 80 2.369 14.713 -1.908 1.00 0.00 O ATOM 1619 CB SER B 80 3.617 13.133 0.054 1.00 0.00 C ATOM 1620 OG SER B 80 4.382 12.062 -0.472 1.00 0.00 O ATOM 0 H SER B 80 2.504 10.940 -0.650 1.00 0.00 H new ATOM 0 HA SER B 80 1.537 13.453 0.493 1.00 0.00 H new ATOM 0 HB2 SER B 80 3.982 14.077 -0.351 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.746 13.179 1.135 1.00 0.00 H new ATOM 0 HG SER B 80 3.970 11.743 -1.302 1.00 0.00 H new ATOM 1626 N ASN B 81 0.950 13.048 -2.389 1.00 0.00 N ATOM 1627 CA ASN B 81 0.560 13.629 -3.658 1.00 0.00 C ATOM 1628 C ASN B 81 -0.482 14.703 -3.372 1.00 0.00 C ATOM 1629 O ASN B 81 -1.499 14.425 -2.762 1.00 0.00 O ATOM 1630 CB ASN B 81 0.010 12.538 -4.577 1.00 0.00 C ATOM 1631 CG ASN B 81 0.051 12.931 -6.036 1.00 0.00 C ATOM 1632 OD1 ASN B 81 -0.167 14.085 -6.386 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.296 11.965 -6.906 1.00 0.00 N ATOM 0 H ASN B 81 0.502 12.158 -2.172 1.00 0.00 H new ATOM 0 HA ASN B 81 1.412 14.080 -4.167 1.00 0.00 H new ATOM 0 HB2 ASN B 81 0.586 11.624 -4.435 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -1.018 12.314 -4.294 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.308 12.169 -7.905 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.473 11.016 -6.578 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.246 15.920 -3.811 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.169 17.012 -3.500 1.00 0.00 C ATOM 1642 C GLU B 82 -2.536 16.822 -4.146 1.00 0.00 C ATOM 1643 O GLU B 82 -3.542 16.650 -3.455 1.00 0.00 O ATOM 1644 CB GLU B 82 -0.586 18.381 -3.896 1.00 0.00 C ATOM 1645 CG GLU B 82 0.674 18.323 -4.754 1.00 0.00 C ATOM 1646 CD GLU B 82 0.452 17.640 -6.088 1.00 0.00 C ATOM 1647 OE1 GLU B 82 -0.528 17.988 -6.784 1.00 0.00 O ATOM 1648 OE2 GLU B 82 1.240 16.738 -6.421 1.00 0.00 O ATOM 0 H GLU B 82 0.561 16.185 -4.376 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.305 16.990 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -1.349 18.941 -4.436 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -0.363 18.940 -2.987 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.036 19.337 -4.927 1.00 0.00 H new ATOM 0 HG3 GLU B 82 1.455 17.795 -4.207 1.00 0.00 H new ATOM 1655 N SER B 83 -2.573 16.821 -5.460 1.00 0.00 N ATOM 1656 CA SER B 83 -3.822 16.680 -6.182 1.00 0.00 C ATOM 1657 C SER B 83 -4.208 15.224 -6.383 1.00 0.00 C ATOM 1658 O SER B 83 -5.251 14.934 -6.978 1.00 0.00 O ATOM 1659 CB SER B 83 -3.697 17.359 -7.544 1.00 0.00 C ATOM 1660 OG SER B 83 -3.073 18.627 -7.425 1.00 0.00 O ATOM 0 H SER B 83 -1.750 16.917 -6.054 1.00 0.00 H new ATOM 0 HA SER B 83 -4.603 17.152 -5.586 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.118 16.727 -8.218 1.00 0.00 H new ATOM 0 HB3 SER B 83 -4.686 17.477 -7.988 1.00 0.00 H new ATOM 0 HG SER B 83 -2.119 18.506 -7.236 1.00 0.00 H new ATOM 1666 N THR B 84 -3.396 14.298 -5.903 1.00 0.00 N ATOM 1667 CA THR B 84 -3.704 12.904 -6.131 1.00 0.00 C ATOM 1668 C THR B 84 -3.618 12.001 -4.894 1.00 0.00 C ATOM 1669 O THR B 84 -3.844 10.803 -5.014 1.00 0.00 O ATOM 1670 CB THR B 84 -2.798 12.358 -7.240 1.00 0.00 C ATOM 1671 OG1 THR B 84 -2.266 13.447 -8.011 1.00 0.00 O ATOM 1672 CG2 THR B 84 -3.575 11.455 -8.155 1.00 0.00 C ATOM 0 H THR B 84 -2.546 14.480 -5.370 1.00 0.00 H new ATOM 0 HA THR B 84 -4.753 12.880 -6.424 1.00 0.00 H new ATOM 0 HB THR B 84 -1.988 11.795 -6.777 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.570 13.904 -7.494 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.917 11.076 -8.937 1.00 0.00 H new ATOM 0 HG22 THR B 84 -3.979 10.619 -7.584 1.00 0.00 H new ATOM 0 HG23 THR B 84 -4.393 12.014 -8.609 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.335 12.548 -3.712 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.228 11.715 -2.503 1.00 0.00 C ATOM 1682 C ALA B 85 -4.492 10.909 -2.279 1.00 0.00 C ATOM 1683 O ALA B 85 -4.462 9.683 -2.208 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.957 12.561 -1.268 1.00 0.00 C ATOM 0 H ALA B 85 -3.177 13.544 -3.561 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.390 11.036 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.884 11.915 -0.393 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -2.021 13.104 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.772 13.271 -1.127 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.595 11.623 -2.182 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.903 11.018 -1.958 1.00 0.00 C ATOM 1692 C VAL B 86 -7.249 10.003 -3.049 1.00 0.00 C ATOM 1693 O VAL B 86 -7.607 8.861 -2.767 1.00 0.00 O ATOM 1694 CB VAL B 86 -8.000 12.103 -1.922 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.344 11.505 -1.533 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.611 13.228 -0.975 1.00 0.00 C ATOM 0 H VAL B 86 -5.616 12.640 -2.256 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.857 10.502 -0.999 1.00 0.00 H new ATOM 0 HB VAL B 86 -8.098 12.521 -2.924 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.100 12.290 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.628 10.744 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.268 11.052 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.397 13.983 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.478 12.828 0.030 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.678 13.681 -1.312 1.00 0.00 H new ATOM 1706 N LYS B 87 -7.098 10.428 -4.296 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.422 9.592 -5.448 1.00 0.00 C ATOM 1708 C LYS B 87 -6.550 8.339 -5.531 1.00 0.00 C ATOM 1709 O LYS B 87 -7.059 7.240 -5.763 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.290 10.409 -6.735 1.00 0.00 C ATOM 1711 CG LYS B 87 -8.340 11.503 -6.870 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.733 12.819 -7.335 1.00 0.00 C ATOM 1713 CE LYS B 87 -7.132 12.706 -8.728 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.488 13.979 -9.158 1.00 0.00 N ATOM 0 H LYS B 87 -6.750 11.356 -4.539 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.451 9.256 -5.324 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.299 10.861 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.363 9.738 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -9.105 11.186 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -8.835 11.651 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -8.500 13.593 -7.332 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.962 13.132 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.395 11.903 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.912 12.435 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -6.090 13.862 -10.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -7.197 14.740 -9.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -5.727 14.225 -8.493 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.246 8.491 -5.330 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.346 7.353 -5.415 1.00 0.00 C ATOM 1730 C GLU B 88 -4.555 6.425 -4.227 1.00 0.00 C ATOM 1731 O GLU B 88 -4.464 5.208 -4.361 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.884 7.815 -5.513 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.542 8.433 -6.863 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.077 8.303 -7.246 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.701 7.270 -7.838 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.299 9.250 -7.005 1.00 0.00 O ATOM 0 H GLU B 88 -4.795 9.379 -5.110 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.575 6.797 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.686 8.543 -4.726 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.227 6.964 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.152 7.961 -7.633 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.811 9.489 -6.847 1.00 0.00 H new ATOM 1743 N ARG B 89 -4.876 7.006 -3.074 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.110 6.232 -1.858 1.00 0.00 C ATOM 1745 C ARG B 89 -6.215 5.207 -2.069 1.00 0.00 C ATOM 1746 O ARG B 89 -6.043 4.019 -1.785 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.481 7.162 -0.696 1.00 0.00 C ATOM 1748 CG ARG B 89 -5.918 6.427 0.564 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.401 6.626 0.857 1.00 0.00 C ATOM 1750 NE ARG B 89 -7.617 7.624 1.901 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.562 8.565 1.854 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -9.443 8.594 0.858 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -8.639 9.462 2.827 1.00 0.00 N ATOM 0 H ARG B 89 -4.980 8.014 -2.956 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.188 5.704 -1.614 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.624 7.792 -0.459 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.285 7.825 -1.016 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -5.710 5.363 0.453 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.331 6.780 1.412 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.913 6.936 -0.054 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.842 5.677 1.164 1.00 0.00 H new ATOM 0 HE ARG B 89 -7.007 7.600 2.718 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.401 7.892 0.119 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.161 9.318 0.833 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -7.979 9.430 3.604 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -9.358 10.185 2.799 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.341 5.670 -2.583 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.489 4.809 -2.816 1.00 0.00 C ATOM 1769 C ASP B 90 -8.217 3.769 -3.895 1.00 0.00 C ATOM 1770 O ASP B 90 -8.662 2.630 -3.780 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.715 5.646 -3.175 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.510 6.038 -1.946 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -9.982 6.810 -1.115 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.651 5.550 -1.794 1.00 0.00 O ATOM 0 H ASP B 90 -7.486 6.644 -2.849 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.685 4.268 -1.890 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.399 6.545 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.353 5.082 -3.856 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.449 4.139 -4.914 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.140 3.216 -6.010 1.00 0.00 C ATOM 1781 C ALA B 91 -6.369 2.001 -5.499 1.00 0.00 C ATOM 1782 O ALA B 91 -6.551 0.876 -5.973 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.346 3.928 -7.094 1.00 0.00 C ATOM 0 H ALA B 91 -7.030 5.064 -5.008 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.081 2.868 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.124 3.229 -7.901 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.930 4.761 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.414 4.305 -6.674 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.532 2.243 -4.507 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.718 1.197 -3.907 1.00 0.00 C ATOM 1791 C VAL B 92 -5.571 0.375 -2.958 1.00 0.00 C ATOM 1792 O VAL B 92 -5.557 -0.853 -3.003 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.514 1.778 -3.134 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.562 0.676 -2.708 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.778 2.803 -3.974 1.00 0.00 C ATOM 0 H VAL B 92 -5.396 3.166 -4.094 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.332 0.572 -4.712 1.00 0.00 H new ATOM 0 HB VAL B 92 -3.899 2.270 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.722 1.110 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.086 -0.028 -2.062 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.193 0.153 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.934 3.198 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.414 2.332 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.456 3.617 -4.231 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.324 1.079 -2.115 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.223 0.456 -1.148 1.00 0.00 C ATOM 1807 C LYS B 93 -8.119 -0.554 -1.847 1.00 0.00 C ATOM 1808 O LYS B 93 -8.269 -1.695 -1.408 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.082 1.543 -0.489 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.282 1.016 0.283 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.575 1.200 -0.500 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.015 2.654 -0.516 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.008 2.922 -1.587 1.00 0.00 N ATOM 0 H LYS B 93 -6.327 2.099 -2.084 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.637 -0.061 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.455 2.122 0.189 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.434 2.228 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.137 -0.041 0.505 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.357 1.535 1.239 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.435 0.850 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.360 0.586 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.446 2.913 0.451 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.145 3.295 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.794 3.834 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.964 2.165 -2.299 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.962 2.955 -1.175 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.691 -0.104 -2.943 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.584 -0.897 -3.761 1.00 0.00 C ATOM 1829 C ASP B 94 -8.923 -2.166 -4.272 1.00 0.00 C ATOM 1830 O ASP B 94 -9.409 -3.269 -4.017 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.062 -0.043 -4.933 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.356 0.694 -4.638 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.373 1.533 -3.710 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.355 0.434 -5.335 1.00 0.00 O ATOM 0 H ASP B 94 -8.546 0.841 -3.297 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.428 -1.208 -3.145 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.288 0.681 -5.188 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.203 -0.680 -5.806 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.816 -2.015 -4.984 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.116 -3.167 -5.537 1.00 0.00 C ATOM 1841 C LEU B 95 -6.627 -4.106 -4.442 1.00 0.00 C ATOM 1842 O LEU B 95 -6.761 -5.322 -4.560 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.941 -2.724 -6.414 1.00 0.00 C ATOM 1844 CG LEU B 95 -6.110 -2.982 -7.916 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -6.466 -4.439 -8.180 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -7.168 -2.059 -8.502 1.00 0.00 C ATOM 0 H LEU B 95 -7.385 -1.114 -5.192 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.830 -3.711 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.777 -1.657 -6.262 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.041 -3.236 -6.073 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.159 -2.771 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.581 -4.597 -9.252 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -5.672 -5.082 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.401 -4.682 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -7.273 -2.257 -9.569 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -8.121 -2.236 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -6.868 -1.022 -8.354 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.093 -3.544 -3.369 1.00 0.00 N ATOM 1859 CA LEU B 96 -5.572 -4.349 -2.275 1.00 0.00 C ATOM 1860 C LEU B 96 -6.661 -5.177 -1.605 1.00 0.00 C ATOM 1861 O LEU B 96 -6.509 -6.385 -1.424 1.00 0.00 O ATOM 1862 CB LEU B 96 -4.883 -3.473 -1.246 1.00 0.00 C ATOM 1863 CG LEU B 96 -3.585 -2.863 -1.737 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -2.920 -2.056 -0.636 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -2.655 -3.943 -2.250 1.00 0.00 C ATOM 0 H LEU B 96 -6.009 -2.537 -3.232 1.00 0.00 H new ATOM 0 HA LEU B 96 -4.845 -5.039 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.561 -2.673 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -4.681 -4.066 -0.354 1.00 0.00 H new ATOM 0 HG LEU B 96 -3.812 -2.186 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -1.990 -1.627 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -3.587 -1.255 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -2.704 -2.706 0.212 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -1.728 -3.489 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.435 -4.646 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.132 -4.473 -3.074 1.00 0.00 H new ATOM 1877 N GLN B 97 -7.766 -4.529 -1.263 1.00 0.00 N ATOM 1878 CA GLN B 97 -8.870 -5.204 -0.596 1.00 0.00 C ATOM 1879 C GLN B 97 -9.492 -6.273 -1.493 1.00 0.00 C ATOM 1880 O GLN B 97 -9.983 -7.289 -1.009 1.00 0.00 O ATOM 1881 CB GLN B 97 -9.923 -4.184 -0.143 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.014 -3.891 -1.155 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.371 -3.733 -0.492 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -12.379 -3.233 0.739 1.00 0.00 O flip ATOM 1885 NE2 GLN B 97 -13.401 -4.058 -1.079 1.00 0.00 N flip ATOM 0 H GLN B 97 -7.922 -3.536 -1.437 1.00 0.00 H new ATOM 0 HA GLN B 97 -8.476 -5.708 0.286 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -10.388 -4.548 0.773 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.418 -3.250 0.104 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.768 -2.980 -1.701 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.058 -4.699 -1.886 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.351 -4.438 -2.024 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.306 -3.947 -0.621 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.451 -6.044 -2.800 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.008 -6.990 -3.758 1.00 0.00 C ATOM 1896 C GLN B 98 -9.103 -8.208 -3.923 1.00 0.00 C ATOM 1897 O GLN B 98 -9.571 -9.309 -4.214 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.219 -6.308 -5.110 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.586 -5.659 -5.255 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.658 -4.693 -6.421 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -11.950 -5.083 -7.549 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.395 -3.424 -6.153 1.00 0.00 N ATOM 0 H GLN B 98 -9.038 -5.212 -3.220 1.00 0.00 H new ATOM 0 HA GLN B 98 -10.969 -7.331 -3.374 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.449 -5.549 -5.249 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.089 -7.044 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.340 -6.436 -5.386 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.831 -5.129 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.157 -3.142 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.431 -2.728 -6.897 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.810 -8.007 -3.728 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.836 -9.084 -3.870 1.00 0.00 C ATOM 1913 C LEU B 99 -6.661 -9.876 -2.579 1.00 0.00 C ATOM 1914 O LEU B 99 -6.263 -11.037 -2.613 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.491 -8.514 -4.308 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.483 -7.935 -5.719 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.315 -6.981 -5.897 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.425 -9.050 -6.754 1.00 0.00 C ATOM 0 H LEU B 99 -7.407 -7.106 -3.470 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.216 -9.768 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.194 -7.734 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.739 -9.301 -4.247 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.408 -7.377 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.326 -6.578 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.400 -6.164 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.380 -7.515 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.420 -8.618 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.518 -9.636 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.296 -9.696 -6.642 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.969 -9.251 -1.450 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.818 -9.892 -0.142 1.00 0.00 C ATOM 1932 C LEU B 100 -7.483 -11.276 -0.049 1.00 0.00 C ATOM 1933 O LEU B 100 -6.823 -12.230 0.355 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.321 -8.975 0.972 1.00 0.00 C ATOM 1935 CG LEU B 100 -6.307 -7.925 1.429 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.925 -6.985 2.447 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -5.069 -8.594 2.009 1.00 0.00 C ATOM 0 H LEU B 100 -7.327 -8.297 -1.410 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.749 -10.063 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -8.223 -8.467 0.629 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.605 -9.586 1.829 1.00 0.00 H new ATOM 0 HG LEU B 100 -6.010 -7.340 0.559 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -6.185 -6.247 2.757 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.780 -6.476 2.001 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -7.255 -7.555 3.315 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.359 -7.831 2.329 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.353 -9.206 2.865 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.607 -9.224 1.250 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.776 -11.435 -0.420 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.460 -12.741 -0.347 1.00 0.00 C ATOM 1951 C PRO B 101 -8.805 -13.816 -1.215 1.00 0.00 C ATOM 1952 O PRO B 101 -9.084 -15.003 -1.066 1.00 0.00 O ATOM 1953 CB PRO B 101 -10.881 -12.445 -0.842 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.770 -11.163 -1.592 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.684 -10.383 -0.913 1.00 0.00 C ATOM 0 HA PRO B 101 -9.422 -13.144 0.665 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.250 -13.246 -1.482 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.578 -12.356 -0.009 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.526 -11.343 -2.639 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.713 -10.617 -1.574 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.180 -9.707 -1.604 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -10.075 -9.773 -0.098 1.00 0.00 H new ATOM 1963 N LYS B 102 -7.935 -13.393 -2.118 1.00 0.00 N ATOM 1964 CA LYS B 102 -7.238 -14.313 -2.999 1.00 0.00 C ATOM 1965 C LYS B 102 -5.956 -14.828 -2.336 1.00 0.00 C ATOM 1966 O LYS B 102 -5.309 -15.753 -2.834 1.00 0.00 O ATOM 1967 CB LYS B 102 -6.907 -13.604 -4.319 1.00 0.00 C ATOM 1968 CG LYS B 102 -6.261 -14.500 -5.362 1.00 0.00 C ATOM 1969 CD LYS B 102 -5.483 -13.691 -6.392 1.00 0.00 C ATOM 1970 CE LYS B 102 -4.458 -14.548 -7.123 1.00 0.00 C ATOM 1971 NZ LYS B 102 -3.317 -13.742 -7.646 1.00 0.00 N ATOM 0 H LYS B 102 -7.694 -12.412 -2.260 1.00 0.00 H new ATOM 0 HA LYS B 102 -7.883 -15.169 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.824 -13.185 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.240 -12.767 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -5.591 -15.206 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.030 -15.087 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.176 -13.258 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -4.978 -12.862 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -4.079 -15.314 -6.446 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -4.944 -15.066 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -2.426 -14.252 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -3.440 -13.587 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -3.288 -12.824 -7.158 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.588 -14.227 -1.207 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.366 -14.612 -0.513 1.00 0.00 C ATOM 1987 C PHE B 103 -4.609 -14.934 0.955 1.00 0.00 C ATOM 1988 O PHE B 103 -3.822 -15.651 1.573 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.326 -13.510 -0.660 1.00 0.00 C ATOM 1990 CG PHE B 103 -2.935 -13.299 -2.087 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -1.930 -14.054 -2.660 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -3.600 -12.371 -2.867 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -1.593 -13.883 -3.982 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -3.273 -12.200 -4.192 1.00 0.00 C ATOM 1995 CZ PHE B 103 -2.268 -12.956 -4.750 1.00 0.00 C ATOM 0 H PHE B 103 -6.115 -13.478 -0.758 1.00 0.00 H new ATOM 0 HA PHE B 103 -3.995 -15.527 -0.974 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.722 -12.580 -0.251 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.442 -13.765 -0.075 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -1.404 -14.785 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.386 -11.773 -2.430 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -0.801 -14.473 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.803 -11.475 -4.792 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.007 -12.824 -5.790 1.00 0.00 H new