USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 SER OG : rot 36:sc= 0.239 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.331 K(o=0.57,f=-3.2!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.142 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.18 F(o=-2.1!,f=-0.18) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0475) USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.123) USER MOD Single : A 42 THR OG1 : rot 75:sc= 0.855 USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= 0.197 (180deg=-0.149) USER MOD Single : A 47 CYS SG : rot -62:sc= -0.905 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.58) USER MOD Single : A 63 GLN : amide:sc= 0.838 K(o=0.84,f=-5.4!) USER MOD Single : A 67 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.4) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 74 SER OG : rot 180:sc= -0.12 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 53:sc= 0.426 USER MOD Single : A 82 ASN : amide:sc= -0.439 K(o=-0.44,f=-1.1) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 101 MET CE :methyl -142:sc= -1.44 (180deg=-4.03!) USER MOD Single : A 105 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.5!) USER MOD Single : A 106 GLN : amide:sc= -4.7! C(o=-4.7!,f=-8!) USER MOD Single : A 108 GLN : amide:sc= -0.0478 X(o=-0.048,f=-0.54) USER MOD Single : A 111 ASN : amide:sc= 1.12 K(o=1.1,f=-0.048) USER MOD Single : A 113 MET CE :methyl 159:sc= -0.385 (180deg=-0.488) USER MOD Single : A 114 LYS NZ :NH3+ 145:sc= 0.369 (180deg=-0.177) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 24:sc= 0.0813 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -22:sc= 1.13 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 CYS SG : rot -90:sc= -0.415 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -13.724 -3.470 -4.852 1.00 0.00 N ATOM 107 CA VAL A 8 -13.072 -2.202 -4.526 1.00 0.00 C ATOM 108 C VAL A 8 -13.464 -1.720 -3.127 1.00 0.00 C ATOM 109 O VAL A 8 -12.687 -1.053 -2.450 1.00 0.00 O ATOM 110 CB VAL A 8 -13.406 -1.099 -5.565 1.00 0.00 C ATOM 111 CG1 VAL A 8 -12.939 -1.508 -6.961 1.00 0.00 C ATOM 112 CG2 VAL A 8 -14.900 -0.780 -5.563 1.00 0.00 C ATOM 0 HA VAL A 8 -11.998 -2.388 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.869 -0.194 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.184 -0.719 -7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.861 -1.666 -6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.439 -2.431 -7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.107 -0.004 -6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.464 -1.678 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.196 -0.430 -4.574 1.00 0.00 H new ATOM 122 N ALA A 9 -14.667 -2.085 -2.687 1.00 0.00 N ATOM 123 CA ALA A 9 -15.165 -1.683 -1.370 1.00 0.00 C ATOM 124 C ALA A 9 -14.304 -2.274 -0.251 1.00 0.00 C ATOM 125 O ALA A 9 -14.366 -1.833 0.899 1.00 0.00 O ATOM 126 CB ALA A 9 -16.619 -2.107 -1.207 1.00 0.00 C ATOM 0 H ALA A 9 -15.317 -2.660 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 9 -15.105 -0.597 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.979 -1.803 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.225 -1.632 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.695 -3.190 -1.302 1.00 0.00 H new ATOM 132 N SER A 10 -13.492 -3.267 -0.602 1.00 0.00 N ATOM 133 CA SER A 10 -12.624 -3.933 0.356 1.00 0.00 C ATOM 134 C SER A 10 -11.418 -3.059 0.727 1.00 0.00 C ATOM 135 O SER A 10 -10.642 -3.413 1.616 1.00 0.00 O ATOM 136 CB SER A 10 -12.162 -5.278 -0.211 1.00 0.00 C ATOM 137 OG SER A 10 -13.273 -6.071 -0.600 1.00 0.00 O ATOM 0 H SER A 10 -13.419 -3.629 -1.553 1.00 0.00 H new ATOM 0 HA SER A 10 -13.193 -4.106 1.269 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.511 -5.111 -1.069 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.574 -5.810 0.537 1.00 0.00 H new ATOM 0 HG SER A 10 -12.955 -6.925 -0.961 1.00 0.00 H new ATOM 143 N TRP A 11 -11.253 -1.923 0.042 1.00 0.00 N ATOM 144 CA TRP A 11 -10.177 -0.983 0.376 1.00 0.00 C ATOM 145 C TRP A 11 -10.325 -0.513 1.823 1.00 0.00 C ATOM 146 O TRP A 11 -9.341 -0.354 2.546 1.00 0.00 O ATOM 147 CB TRP A 11 -10.187 0.240 -0.553 1.00 0.00 C ATOM 148 CG TRP A 11 -9.948 -0.064 -2.007 1.00 0.00 C ATOM 149 CD1 TRP A 11 -9.328 -1.157 -2.546 1.00 0.00 C ATOM 150 CD2 TRP A 11 -10.319 0.769 -3.110 1.00 0.00 C ATOM 151 NE1 TRP A 11 -9.304 -1.055 -3.919 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.904 0.122 -4.287 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.964 2.001 -3.211 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -10.120 0.669 -5.550 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -11.177 2.545 -4.459 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.756 1.880 -5.618 1.00 0.00 C ATOM 0 H TRP A 11 -11.843 -1.634 -0.738 1.00 0.00 H new ATOM 0 HA TRP A 11 -9.230 -1.507 0.247 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -11.149 0.743 -0.456 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -9.425 0.941 -0.214 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.918 -1.979 -1.979 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.905 -1.743 -4.558 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -11.292 2.522 -2.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.797 0.156 -6.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.676 3.499 -4.545 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.936 2.331 -6.583 1.00 0.00 H new ATOM 167 N ALA A 12 -11.576 -0.319 2.240 1.00 0.00 N ATOM 168 CA ALA A 12 -11.884 0.170 3.583 1.00 0.00 C ATOM 169 C ALA A 12 -11.656 -0.910 4.643 1.00 0.00 C ATOM 170 O ALA A 12 -11.830 -0.663 5.836 1.00 0.00 O ATOM 171 CB ALA A 12 -13.318 0.684 3.638 1.00 0.00 C ATOM 0 H ALA A 12 -12.398 -0.495 1.662 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.204 0.993 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -13.537 1.046 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.440 1.499 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.004 -0.125 3.386 1.00 0.00 H new ATOM 177 N LEU A 13 -11.274 -2.107 4.208 1.00 0.00 N ATOM 178 CA LEU A 13 -10.968 -3.195 5.133 1.00 0.00 C ATOM 179 C LEU A 13 -9.506 -3.129 5.567 1.00 0.00 C ATOM 180 O LEU A 13 -9.184 -3.352 6.738 1.00 0.00 O ATOM 181 CB LEU A 13 -11.260 -4.556 4.487 1.00 0.00 C ATOM 182 CG LEU A 13 -12.722 -4.794 4.077 1.00 0.00 C ATOM 183 CD1 LEU A 13 -12.880 -6.164 3.422 1.00 0.00 C ATOM 184 CD2 LEU A 13 -13.649 -4.661 5.286 1.00 0.00 C ATOM 0 H LEU A 13 -11.169 -2.349 3.223 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.604 -3.082 6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.631 -4.661 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.964 -5.340 5.184 1.00 0.00 H new ATOM 0 HG LEU A 13 -13.002 -4.034 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.922 -6.314 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.251 -6.217 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.580 -6.940 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.679 -4.833 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.370 -5.396 6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.559 -3.659 5.705 1.00 0.00 H new ATOM 196 N SER A 14 -8.624 -2.816 4.619 1.00 0.00 N ATOM 197 CA SER A 14 -7.191 -2.765 4.890 1.00 0.00 C ATOM 198 C SER A 14 -6.485 -1.806 3.931 1.00 0.00 C ATOM 199 O SER A 14 -6.686 -1.866 2.712 1.00 0.00 O ATOM 200 CB SER A 14 -6.574 -4.164 4.760 1.00 0.00 C ATOM 201 OG SER A 14 -7.296 -5.125 5.516 1.00 0.00 O ATOM 0 H SER A 14 -8.878 -2.594 3.656 1.00 0.00 H new ATOM 0 HA SER A 14 -7.057 -2.402 5.909 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.560 -4.460 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.538 -4.138 5.097 1.00 0.00 H new ATOM 0 HG SER A 14 -6.878 -6.005 5.410 1.00 0.00 H new ATOM 207 N PHE A 15 -5.647 -0.938 4.490 1.00 0.00 N ATOM 208 CA PHE A 15 -4.827 -0.028 3.698 1.00 0.00 C ATOM 209 C PHE A 15 -3.933 -0.832 2.763 1.00 0.00 C ATOM 210 O PHE A 15 -3.776 -0.496 1.592 1.00 0.00 O ATOM 211 CB PHE A 15 -3.981 0.860 4.618 1.00 0.00 C ATOM 212 CG PHE A 15 -2.992 1.733 3.887 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.408 2.566 2.858 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.648 1.719 4.226 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.507 3.366 2.188 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.743 2.520 3.560 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.173 3.345 2.540 1.00 0.00 C ATOM 0 H PHE A 15 -5.518 -0.846 5.498 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.475 0.616 3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.645 1.494 5.205 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.441 0.226 5.321 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.451 2.588 2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.305 1.073 5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.845 4.009 1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.301 2.502 3.836 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.466 3.973 2.018 1.00 0.00 H new ATOM 227 N GLU A 16 -3.355 -1.891 3.315 1.00 0.00 N ATOM 228 CA GLU A 16 -2.589 -2.875 2.559 1.00 0.00 C ATOM 229 C GLU A 16 -3.302 -3.212 1.256 1.00 0.00 C ATOM 230 O GLU A 16 -2.773 -2.995 0.167 1.00 0.00 O ATOM 231 CB GLU A 16 -2.429 -4.182 3.360 1.00 0.00 C ATOM 232 CG GLU A 16 -1.783 -4.045 4.735 1.00 0.00 C ATOM 233 CD GLU A 16 -2.653 -3.305 5.749 1.00 0.00 C ATOM 234 OE1 GLU A 16 -3.607 -3.909 6.277 1.00 0.00 O ATOM 235 OE2 GLU A 16 -2.401 -2.111 6.004 1.00 0.00 O ATOM 0 H GLU A 16 -3.405 -2.094 4.313 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.610 -2.441 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.414 -4.631 3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.834 -4.878 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.556 -5.039 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.834 -3.519 4.630 1.00 0.00 H new ATOM 242 N ARG A 17 -4.529 -3.713 1.401 1.00 0.00 N ATOM 243 CA ARG A 17 -5.318 -4.202 0.275 1.00 0.00 C ATOM 244 C ARG A 17 -5.483 -3.112 -0.789 1.00 0.00 C ATOM 245 O ARG A 17 -5.518 -3.400 -1.986 1.00 0.00 O ATOM 246 CB ARG A 17 -6.690 -4.711 0.777 1.00 0.00 C ATOM 247 CG ARG A 17 -7.595 -5.327 -0.302 1.00 0.00 C ATOM 248 CD ARG A 17 -8.380 -4.272 -1.078 1.00 0.00 C ATOM 249 NE ARG A 17 -9.139 -4.844 -2.194 1.00 0.00 N ATOM 250 CZ ARG A 17 -8.669 -4.950 -3.441 1.00 0.00 C ATOM 251 NH1 ARG A 17 -7.416 -4.617 -3.718 1.00 0.00 N ATOM 252 NH2 ARG A 17 -9.452 -5.403 -4.409 1.00 0.00 N ATOM 0 H ARG A 17 -5.001 -3.790 2.302 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.791 -5.035 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.521 -5.456 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.220 -3.880 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.985 -5.905 -0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.292 -6.022 0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.065 -3.762 -0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.691 -3.519 -1.460 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.083 -5.182 -2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.803 -4.277 -2.977 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.065 -4.701 -4.672 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.414 -5.671 -4.203 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.092 -5.483 -5.360 1.00 0.00 H new ATOM 266 N LEU A 18 -5.605 -1.866 -0.336 1.00 0.00 N ATOM 267 CA LEU A 18 -5.691 -0.712 -1.235 1.00 0.00 C ATOM 268 C LEU A 18 -4.341 -0.440 -1.896 1.00 0.00 C ATOM 269 O LEU A 18 -4.247 -0.238 -3.107 1.00 0.00 O ATOM 270 CB LEU A 18 -6.122 0.535 -0.443 1.00 0.00 C ATOM 271 CG LEU A 18 -5.980 1.875 -1.194 1.00 0.00 C ATOM 272 CD1 LEU A 18 -7.011 1.992 -2.310 1.00 0.00 C ATOM 273 CD2 LEU A 18 -6.078 3.057 -0.232 1.00 0.00 C ATOM 0 H LEU A 18 -5.647 -1.627 0.655 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.427 -0.935 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.163 0.413 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.532 0.586 0.472 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.991 1.896 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.887 2.946 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.871 1.178 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.014 1.935 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.975 3.989 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.046 3.039 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.284 2.988 0.511 1.00 0.00 H new ATOM 285 N LEU A 19 -3.306 -0.462 -1.076 1.00 0.00 N ATOM 286 CA LEU A 19 -1.983 0.003 -1.461 1.00 0.00 C ATOM 287 C LEU A 19 -1.289 -0.974 -2.409 1.00 0.00 C ATOM 288 O LEU A 19 -0.392 -0.594 -3.160 1.00 0.00 O ATOM 289 CB LEU A 19 -1.143 0.217 -0.197 1.00 0.00 C ATOM 290 CG LEU A 19 0.211 0.896 -0.415 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.034 2.262 -1.075 1.00 0.00 C ATOM 292 CD2 LEU A 19 0.966 1.029 0.900 1.00 0.00 C ATOM 0 H LEU A 19 -3.359 -0.805 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.089 0.945 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.722 0.816 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.973 -0.751 0.274 1.00 0.00 H new ATOM 0 HG LEU A 19 0.799 0.269 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.010 2.725 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.456 2.139 -2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.578 2.898 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.925 1.514 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.380 1.629 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.134 0.039 1.325 1.00 0.00 H new ATOM 304 N GLN A 20 -1.698 -2.233 -2.370 1.00 0.00 N ATOM 305 CA GLN A 20 -1.139 -3.243 -3.268 1.00 0.00 C ATOM 306 C GLN A 20 -2.127 -3.569 -4.385 1.00 0.00 C ATOM 307 O GLN A 20 -1.999 -4.585 -5.071 1.00 0.00 O ATOM 308 CB GLN A 20 -0.743 -4.501 -2.479 1.00 0.00 C ATOM 309 CG GLN A 20 -1.891 -5.163 -1.725 1.00 0.00 C ATOM 310 CD GLN A 20 -1.406 -6.077 -0.610 1.00 0.00 C ATOM 311 OE1 GLN A 20 -0.272 -5.730 -0.007 1.00 0.00 O flip ATOM 312 NE2 GLN A 20 -2.049 -7.073 -0.280 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.412 -2.583 -1.731 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.236 -2.844 -3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.312 -5.227 -3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.038 -4.236 -1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.537 -4.393 -1.304 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.497 -5.739 -2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.914 -7.306 -0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.717 -7.666 0.481 1.00 0.00 H new ATOM 321 N ASP A 21 -3.103 -2.686 -4.572 1.00 0.00 N ATOM 322 CA ASP A 21 -4.067 -2.815 -5.660 1.00 0.00 C ATOM 323 C ASP A 21 -3.771 -1.763 -6.724 1.00 0.00 C ATOM 324 O ASP A 21 -3.733 -0.572 -6.417 1.00 0.00 O ATOM 325 CB ASP A 21 -5.498 -2.644 -5.142 1.00 0.00 C ATOM 326 CG ASP A 21 -6.540 -2.940 -6.210 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.891 -4.126 -6.390 1.00 0.00 O ATOM 328 OD2 ASP A 21 -7.021 -1.995 -6.865 1.00 0.00 O ATOM 0 H ASP A 21 -3.248 -1.868 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.978 -3.812 -6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.655 -3.307 -4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.631 -1.624 -4.781 1.00 0.00 H new ATOM 333 N PRO A 22 -3.550 -2.178 -7.984 1.00 0.00 N ATOM 334 CA PRO A 22 -3.177 -1.255 -9.066 1.00 0.00 C ATOM 335 C PRO A 22 -4.199 -0.134 -9.269 1.00 0.00 C ATOM 336 O PRO A 22 -3.827 1.031 -9.436 1.00 0.00 O ATOM 337 CB PRO A 22 -3.101 -2.159 -10.307 1.00 0.00 C ATOM 338 CG PRO A 22 -2.890 -3.534 -9.764 1.00 0.00 C ATOM 339 CD PRO A 22 -3.631 -3.574 -8.455 1.00 0.00 C ATOM 0 HA PRO A 22 -2.243 -0.737 -8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.017 -2.102 -10.895 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.282 -1.863 -10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.270 -4.289 -10.452 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.829 -3.739 -9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.664 -3.896 -8.586 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.168 -4.265 -7.750 1.00 0.00 H new ATOM 347 N LEU A 23 -5.480 -0.493 -9.240 1.00 0.00 N ATOM 348 CA LEU A 23 -6.563 0.469 -9.446 1.00 0.00 C ATOM 349 C LEU A 23 -6.637 1.411 -8.246 1.00 0.00 C ATOM 350 O LEU A 23 -6.739 2.636 -8.396 1.00 0.00 O ATOM 351 CB LEU A 23 -7.895 -0.291 -9.648 1.00 0.00 C ATOM 352 CG LEU A 23 -9.087 0.523 -10.206 1.00 0.00 C ATOM 353 CD1 LEU A 23 -10.198 -0.416 -10.676 1.00 0.00 C ATOM 354 CD2 LEU A 23 -9.641 1.499 -9.169 1.00 0.00 C ATOM 0 H LEU A 23 -5.796 -1.449 -9.075 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.373 1.066 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.710 -1.127 -10.322 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.193 -0.715 -8.689 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.718 1.103 -11.052 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.030 0.171 -11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.815 -1.069 -11.461 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.542 -1.021 -9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.476 2.051 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.984 0.945 -8.295 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.859 2.197 -8.872 1.00 0.00 H new ATOM 366 N GLY A 24 -6.567 0.821 -7.058 1.00 0.00 N ATOM 367 CA GLY A 24 -6.627 1.581 -5.829 1.00 0.00 C ATOM 368 C GLY A 24 -5.498 2.581 -5.721 1.00 0.00 C ATOM 369 O GLY A 24 -5.732 3.786 -5.603 1.00 0.00 O ATOM 0 H GLY A 24 -6.468 -0.186 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.581 2.105 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.589 0.899 -4.980 1.00 0.00 H new ATOM 373 N LEU A 25 -4.272 2.072 -5.771 1.00 0.00 N ATOM 374 CA LEU A 25 -3.077 2.903 -5.681 1.00 0.00 C ATOM 375 C LEU A 25 -3.079 3.962 -6.789 1.00 0.00 C ATOM 376 O LEU A 25 -2.572 5.063 -6.594 1.00 0.00 O ATOM 377 CB LEU A 25 -1.806 2.030 -5.770 1.00 0.00 C ATOM 378 CG LEU A 25 -0.646 2.427 -4.831 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.571 1.540 -5.073 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.276 3.901 -4.983 1.00 0.00 C ATOM 0 H LEU A 25 -4.079 1.076 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.079 3.411 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.083 0.997 -5.557 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.442 2.057 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.988 2.277 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.377 1.836 -4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.306 0.500 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.901 1.649 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.544 4.142 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.033 4.095 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.140 4.520 -4.741 1.00 0.00 H new ATOM 392 N ALA A 26 -3.662 3.624 -7.942 1.00 0.00 N ATOM 393 CA ALA A 26 -3.728 4.550 -9.075 1.00 0.00 C ATOM 394 C ALA A 26 -4.412 5.855 -8.671 1.00 0.00 C ATOM 395 O ALA A 26 -3.838 6.940 -8.811 1.00 0.00 O ATOM 396 CB ALA A 26 -4.455 3.911 -10.256 1.00 0.00 C ATOM 0 H ALA A 26 -4.095 2.717 -8.115 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.707 4.778 -9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.492 4.617 -11.086 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.923 3.012 -10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.470 3.647 -9.959 1.00 0.00 H new ATOM 402 N TYR A 27 -5.636 5.746 -8.162 1.00 0.00 N ATOM 403 CA TYR A 27 -6.376 6.918 -7.696 1.00 0.00 C ATOM 404 C TYR A 27 -5.722 7.504 -6.452 1.00 0.00 C ATOM 405 O TYR A 27 -5.621 8.727 -6.297 1.00 0.00 O ATOM 406 CB TYR A 27 -7.833 6.557 -7.390 1.00 0.00 C ATOM 407 CG TYR A 27 -8.709 6.428 -8.622 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.105 7.559 -9.328 1.00 0.00 C ATOM 409 CD2 TYR A 27 -9.149 5.189 -9.068 1.00 0.00 C ATOM 410 CE1 TYR A 27 -9.913 7.459 -10.441 1.00 0.00 C ATOM 411 CE2 TYR A 27 -9.957 5.081 -10.184 1.00 0.00 C ATOM 412 CZ TYR A 27 -10.336 6.219 -10.867 1.00 0.00 C ATOM 413 OH TYR A 27 -11.147 6.115 -11.974 1.00 0.00 O ATOM 0 H TYR A 27 -6.136 4.863 -8.061 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.358 7.662 -8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.856 5.616 -6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.255 7.319 -6.735 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.774 8.533 -8.999 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -8.856 4.297 -8.535 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.213 8.348 -10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.290 4.110 -10.520 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.354 5.172 -12.141 1.00 0.00 H new ATOM 423 N PHE A 28 -5.266 6.615 -5.581 1.00 0.00 N ATOM 424 CA PHE A 28 -4.666 7.003 -4.312 1.00 0.00 C ATOM 425 C PHE A 28 -3.438 7.892 -4.531 1.00 0.00 C ATOM 426 O PHE A 28 -3.233 8.868 -3.809 1.00 0.00 O ATOM 427 CB PHE A 28 -4.303 5.745 -3.510 1.00 0.00 C ATOM 428 CG PHE A 28 -3.730 6.025 -2.146 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.294 6.990 -1.324 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.634 5.316 -1.683 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.774 7.241 -0.072 1.00 0.00 C ATOM 432 CE2 PHE A 28 -2.110 5.565 -0.431 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.680 6.528 0.376 1.00 0.00 C ATOM 0 H PHE A 28 -5.301 5.607 -5.733 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.390 7.587 -3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.196 5.130 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.582 5.159 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.150 7.551 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.184 4.560 -2.309 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.222 7.995 0.558 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.254 5.006 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.271 6.724 1.356 1.00 0.00 H new ATOM 443 N THR A 29 -2.636 7.567 -5.539 1.00 0.00 N ATOM 444 CA THR A 29 -1.448 8.354 -5.850 1.00 0.00 C ATOM 445 C THR A 29 -1.817 9.568 -6.699 1.00 0.00 C ATOM 446 O THR A 29 -1.077 10.552 -6.735 1.00 0.00 O ATOM 447 CB THR A 29 -0.362 7.517 -6.580 1.00 0.00 C ATOM 448 OG1 THR A 29 0.868 8.255 -6.646 1.00 0.00 O ATOM 449 CG2 THR A 29 -0.795 7.137 -7.995 1.00 0.00 C ATOM 0 H THR A 29 -2.786 6.767 -6.153 1.00 0.00 H new ATOM 0 HA THR A 29 -1.030 8.685 -4.899 1.00 0.00 H new ATOM 0 HB THR A 29 -0.218 6.601 -6.008 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.547 7.719 -7.106 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.008 6.552 -8.472 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.709 6.545 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.977 8.042 -8.575 1.00 0.00 H new ATOM 457 N GLU A 30 -2.966 9.493 -7.376 1.00 0.00 N ATOM 458 CA GLU A 30 -3.433 10.583 -8.228 1.00 0.00 C ATOM 459 C GLU A 30 -3.582 11.859 -7.402 1.00 0.00 C ATOM 460 O GLU A 30 -2.836 12.826 -7.595 1.00 0.00 O ATOM 461 CB GLU A 30 -4.769 10.201 -8.900 1.00 0.00 C ATOM 462 CG GLU A 30 -5.175 11.071 -10.097 1.00 0.00 C ATOM 463 CD GLU A 30 -5.586 12.491 -9.724 1.00 0.00 C ATOM 464 OE1 GLU A 30 -6.697 12.668 -9.178 1.00 0.00 O ATOM 465 OE2 GLU A 30 -4.805 13.436 -9.982 1.00 0.00 O ATOM 0 H GLU A 30 -3.589 8.686 -7.349 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.699 10.764 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.707 9.164 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.560 10.250 -8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.341 11.118 -10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.003 10.590 -10.618 1.00 0.00 H new ATOM 472 N PHE A 31 -4.519 11.845 -6.454 1.00 0.00 N ATOM 473 CA PHE A 31 -4.797 13.037 -5.655 1.00 0.00 C ATOM 474 C PHE A 31 -3.635 13.330 -4.706 1.00 0.00 C ATOM 475 O PHE A 31 -3.364 14.482 -4.379 1.00 0.00 O ATOM 476 CB PHE A 31 -6.116 12.893 -4.871 1.00 0.00 C ATOM 477 CG PHE A 31 -6.016 12.068 -3.610 1.00 0.00 C ATOM 478 CD1 PHE A 31 -6.007 10.683 -3.665 1.00 0.00 C ATOM 479 CD2 PHE A 31 -5.939 12.684 -2.366 1.00 0.00 C ATOM 480 CE1 PHE A 31 -5.922 9.932 -2.508 1.00 0.00 C ATOM 481 CE2 PHE A 31 -5.853 11.936 -1.208 1.00 0.00 C ATOM 482 CZ PHE A 31 -5.845 10.558 -1.279 1.00 0.00 C ATOM 0 H PHE A 31 -5.091 11.033 -6.223 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.908 13.878 -6.339 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.478 13.888 -4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.864 12.443 -5.524 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.067 10.186 -4.622 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.947 13.762 -2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.916 8.854 -2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.792 12.429 -0.249 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.779 9.970 -0.376 1.00 0.00 H new ATOM 492 N LEU A 32 -2.935 12.280 -4.279 1.00 0.00 N ATOM 493 CA LEU A 32 -1.813 12.434 -3.357 1.00 0.00 C ATOM 494 C LEU A 32 -0.647 13.161 -4.035 1.00 0.00 C ATOM 495 O LEU A 32 0.096 13.899 -3.384 1.00 0.00 O ATOM 496 CB LEU A 32 -1.371 11.064 -2.822 1.00 0.00 C ATOM 497 CG LEU A 32 -0.341 11.093 -1.682 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.871 11.887 -0.490 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.035 9.675 -1.256 1.00 0.00 C ATOM 0 H LEU A 32 -3.125 11.317 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.139 13.042 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.254 10.528 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.954 10.489 -3.649 1.00 0.00 H new ATOM 0 HG LEU A 32 0.556 11.590 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.124 11.893 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.081 12.911 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.787 11.424 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.765 9.719 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.856 9.150 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.465 9.142 -2.104 1.00 0.00 H new ATOM 511 N LYS A 33 -0.491 12.957 -5.344 1.00 0.00 N ATOM 512 CA LYS A 33 0.517 13.688 -6.116 1.00 0.00 C ATOM 513 C LYS A 33 0.044 15.127 -6.298 1.00 0.00 C ATOM 514 O LYS A 33 0.841 16.068 -6.287 1.00 0.00 O ATOM 515 CB LYS A 33 0.765 13.004 -7.477 1.00 0.00 C ATOM 516 CG LYS A 33 2.083 13.388 -8.170 1.00 0.00 C ATOM 517 CD LYS A 33 2.052 14.790 -8.787 1.00 0.00 C ATOM 518 CE LYS A 33 3.364 15.140 -9.486 1.00 0.00 C ATOM 519 NZ LYS A 33 4.507 15.236 -8.535 1.00 0.00 N ATOM 0 H LYS A 33 -1.045 12.297 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 33 1.465 13.687 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.751 11.924 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.062 13.247 -8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.896 13.334 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.302 12.659 -8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.233 14.852 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.850 15.524 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.584 14.383 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.251 16.089 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.347 15.590 -9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.263 15.890 -7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.710 14.295 -8.141 1.00 0.00 H new ATOM 533 N LYS A 34 -1.268 15.285 -6.437 1.00 0.00 N ATOM 534 CA LYS A 34 -1.892 16.602 -6.517 1.00 0.00 C ATOM 535 C LYS A 34 -1.619 17.376 -5.222 1.00 0.00 C ATOM 536 O LYS A 34 -1.442 18.596 -5.231 1.00 0.00 O ATOM 537 CB LYS A 34 -3.403 16.440 -6.742 1.00 0.00 C ATOM 538 CG LYS A 34 -4.128 17.709 -7.183 1.00 0.00 C ATOM 539 CD LYS A 34 -5.636 17.478 -7.287 1.00 0.00 C ATOM 540 CE LYS A 34 -6.347 18.620 -8.006 1.00 0.00 C ATOM 541 NZ LYS A 34 -6.012 18.666 -9.456 1.00 0.00 N ATOM 0 H LYS A 34 -1.926 14.508 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.472 17.161 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.563 15.668 -7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.857 16.083 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.929 18.510 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.740 18.036 -8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.823 16.545 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.054 17.365 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.425 18.507 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.072 19.567 -7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.672 19.304 -9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.040 19.015 -9.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.089 17.711 -9.861 1.00 0.00 H new ATOM 555 N GLU A 35 -1.571 16.635 -4.112 1.00 0.00 N ATOM 556 CA GLU A 35 -1.248 17.192 -2.795 1.00 0.00 C ATOM 557 C GLU A 35 0.264 17.147 -2.544 1.00 0.00 C ATOM 558 O GLU A 35 0.729 17.445 -1.441 1.00 0.00 O ATOM 559 CB GLU A 35 -1.981 16.404 -1.697 1.00 0.00 C ATOM 560 CG GLU A 35 -3.499 16.397 -1.845 1.00 0.00 C ATOM 561 CD GLU A 35 -4.107 17.789 -1.779 1.00 0.00 C ATOM 562 OE1 GLU A 35 -4.326 18.294 -0.659 1.00 0.00 O ATOM 563 OE2 GLU A 35 -4.370 18.387 -2.844 1.00 0.00 O ATOM 0 H GLU A 35 -1.755 15.632 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.574 18.232 -2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.621 15.375 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.723 16.828 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.764 15.935 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.933 15.779 -1.059 1.00 0.00 H new ATOM 570 N PHE A 36 1.012 16.730 -3.569 1.00 0.00 N ATOM 571 CA PHE A 36 2.482 16.677 -3.542 1.00 0.00 C ATOM 572 C PHE A 36 3.016 15.522 -2.689 1.00 0.00 C ATOM 573 O PHE A 36 4.110 15.015 -2.948 1.00 0.00 O ATOM 574 CB PHE A 36 3.081 18.015 -3.064 1.00 0.00 C ATOM 575 CG PHE A 36 4.584 17.989 -2.894 1.00 0.00 C ATOM 576 CD1 PHE A 36 5.422 17.900 -3.998 1.00 0.00 C ATOM 577 CD2 PHE A 36 5.155 18.041 -1.628 1.00 0.00 C ATOM 578 CE1 PHE A 36 6.795 17.867 -3.842 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.527 18.005 -1.469 1.00 0.00 C ATOM 580 CZ PHE A 36 7.348 17.918 -2.576 1.00 0.00 C ATOM 0 H PHE A 36 0.612 16.415 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 36 2.799 16.496 -4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.820 18.795 -3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.623 18.288 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.996 17.856 -4.989 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.519 18.110 -0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 36 7.436 17.801 -4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.957 18.045 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.421 17.890 -2.453 1.00 0.00 H new ATOM 590 N SER A 37 2.238 15.065 -1.712 1.00 0.00 N ATOM 591 CA SER A 37 2.745 14.115 -0.722 1.00 0.00 C ATOM 592 C SER A 37 2.749 12.680 -1.263 1.00 0.00 C ATOM 593 O SER A 37 2.754 11.713 -0.493 1.00 0.00 O ATOM 594 CB SER A 37 1.934 14.207 0.580 1.00 0.00 C ATOM 595 OG SER A 37 2.653 13.629 1.662 1.00 0.00 O ATOM 0 H SER A 37 1.262 15.333 -1.583 1.00 0.00 H new ATOM 0 HA SER A 37 3.779 14.384 -0.506 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.710 15.250 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.979 13.695 0.457 1.00 0.00 H new ATOM 0 HG SER A 37 3.610 13.809 1.552 1.00 0.00 H new ATOM 601 N ALA A 38 2.795 12.546 -2.594 1.00 0.00 N ATOM 602 CA ALA A 38 2.946 11.242 -3.245 1.00 0.00 C ATOM 603 C ALA A 38 4.222 10.558 -2.762 1.00 0.00 C ATOM 604 O ALA A 38 4.402 9.357 -2.948 1.00 0.00 O ATOM 605 CB ALA A 38 2.968 11.401 -4.761 1.00 0.00 C ATOM 0 H ALA A 38 2.729 13.330 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 38 2.093 10.619 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.081 10.423 -5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.035 11.856 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.804 12.038 -5.048 1.00 0.00 H new ATOM 611 N GLU A 39 5.086 11.361 -2.132 1.00 0.00 N ATOM 612 CA GLU A 39 6.328 10.903 -1.504 1.00 0.00 C ATOM 613 C GLU A 39 6.140 9.527 -0.866 1.00 0.00 C ATOM 614 O GLU A 39 6.948 8.617 -1.059 1.00 0.00 O ATOM 615 CB GLU A 39 6.735 11.905 -0.411 1.00 0.00 C ATOM 616 CG GLU A 39 6.605 13.367 -0.830 1.00 0.00 C ATOM 617 CD GLU A 39 6.627 14.317 0.357 1.00 0.00 C ATOM 618 OE1 GLU A 39 5.600 14.403 1.074 1.00 0.00 O ATOM 619 OE2 GLU A 39 7.664 14.970 0.589 1.00 0.00 O ATOM 0 H GLU A 39 4.938 12.366 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 39 7.101 10.833 -2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.119 11.734 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.768 11.711 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.419 13.621 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.675 13.502 -1.382 1.00 0.00 H new ATOM 626 N ASN A 40 5.043 9.397 -0.125 1.00 0.00 N ATOM 627 CA ASN A 40 4.730 8.177 0.612 1.00 0.00 C ATOM 628 C ASN A 40 4.596 6.974 -0.322 1.00 0.00 C ATOM 629 O ASN A 40 5.395 6.036 -0.266 1.00 0.00 O ATOM 630 CB ASN A 40 3.431 8.354 1.417 1.00 0.00 C ATOM 631 CG ASN A 40 3.548 9.402 2.513 1.00 0.00 C ATOM 632 OD1 ASN A 40 3.967 9.103 3.629 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.158 10.633 2.210 1.00 0.00 N ATOM 0 H ASN A 40 4.346 10.134 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 40 5.558 7.988 1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.625 8.634 0.739 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.154 7.399 1.863 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.200 11.369 2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.816 10.843 1.272 1.00 0.00 H new ATOM 640 N VAL A 41 3.591 7.018 -1.192 1.00 0.00 N ATOM 641 CA VAL A 41 3.274 5.893 -2.068 1.00 0.00 C ATOM 642 C VAL A 41 4.394 5.617 -3.066 1.00 0.00 C ATOM 643 O VAL A 41 4.623 4.468 -3.440 1.00 0.00 O ATOM 644 CB VAL A 41 1.946 6.121 -2.828 1.00 0.00 C ATOM 645 CG1 VAL A 41 0.779 6.160 -1.853 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.002 7.402 -3.657 1.00 0.00 C ATOM 0 H VAL A 41 2.979 7.825 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 41 3.164 5.022 -1.422 1.00 0.00 H new ATOM 0 HB VAL A 41 1.797 5.287 -3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.149 6.321 -2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.723 5.214 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.926 6.973 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.056 7.538 -4.181 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.178 8.253 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.812 7.330 -4.383 1.00 0.00 H new ATOM 656 N THR A 42 5.093 6.663 -3.491 1.00 0.00 N ATOM 657 CA THR A 42 6.189 6.510 -4.439 1.00 0.00 C ATOM 658 C THR A 42 7.380 5.825 -3.762 1.00 0.00 C ATOM 659 O THR A 42 8.036 4.961 -4.354 1.00 0.00 O ATOM 660 CB THR A 42 6.615 7.877 -5.017 1.00 0.00 C ATOM 661 OG1 THR A 42 5.454 8.586 -5.475 1.00 0.00 O ATOM 662 CG2 THR A 42 7.592 7.710 -6.177 1.00 0.00 C ATOM 0 H THR A 42 4.921 7.624 -3.195 1.00 0.00 H new ATOM 0 HA THR A 42 5.843 5.887 -5.264 1.00 0.00 H new ATOM 0 HB THR A 42 7.113 8.438 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.956 8.930 -4.704 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.872 8.691 -6.561 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.484 7.188 -5.829 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.119 7.131 -6.970 1.00 0.00 H new ATOM 670 N PHE A 43 7.636 6.197 -2.506 1.00 0.00 N ATOM 671 CA PHE A 43 8.698 5.574 -1.721 1.00 0.00 C ATOM 672 C PHE A 43 8.349 4.118 -1.441 1.00 0.00 C ATOM 673 O PHE A 43 9.211 3.242 -1.506 1.00 0.00 O ATOM 674 CB PHE A 43 8.920 6.328 -0.402 1.00 0.00 C ATOM 675 CG PHE A 43 9.995 5.729 0.479 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.330 5.790 0.109 1.00 0.00 C ATOM 677 CD2 PHE A 43 9.670 5.108 1.677 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.316 5.250 0.912 1.00 0.00 C ATOM 679 CE2 PHE A 43 10.652 4.567 2.485 1.00 0.00 C ATOM 680 CZ PHE A 43 11.976 4.637 2.101 1.00 0.00 C ATOM 0 H PHE A 43 7.121 6.927 -2.013 1.00 0.00 H new ATOM 0 HA PHE A 43 9.623 5.617 -2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.184 7.361 -0.627 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.982 6.352 0.153 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.603 6.267 -0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.636 5.047 1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.351 5.307 0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.384 4.090 3.416 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.745 4.213 2.730 1.00 0.00 H new ATOM 690 N TRP A 44 7.078 3.866 -1.142 1.00 0.00 N ATOM 691 CA TRP A 44 6.611 2.508 -0.895 1.00 0.00 C ATOM 692 C TRP A 44 6.658 1.703 -2.195 1.00 0.00 C ATOM 693 O TRP A 44 6.972 0.516 -2.190 1.00 0.00 O ATOM 694 CB TRP A 44 5.194 2.513 -0.303 1.00 0.00 C ATOM 695 CG TRP A 44 4.778 1.181 0.261 1.00 0.00 C ATOM 696 CD1 TRP A 44 4.984 0.727 1.536 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.095 0.127 -0.431 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.463 -0.537 1.679 1.00 0.00 N ATOM 699 CE2 TRP A 44 3.915 -0.929 0.485 1.00 0.00 C ATOM 700 CE3 TRP A 44 3.618 -0.024 -1.737 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.276 -2.116 0.135 1.00 0.00 C ATOM 702 CZ3 TRP A 44 2.985 -1.203 -2.081 1.00 0.00 C ATOM 703 CH2 TRP A 44 2.821 -2.237 -1.150 1.00 0.00 C ATOM 0 H TRP A 44 6.356 4.583 -1.065 1.00 0.00 H new ATOM 0 HA TRP A 44 7.269 2.037 -0.165 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.139 3.266 0.484 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.486 2.809 -1.077 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.484 1.282 2.317 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.481 -1.093 2.534 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.742 0.766 -2.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.144 -2.913 0.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.610 -1.330 -3.086 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.326 -3.148 -1.452 1.00 0.00 H new ATOM 714 N LYS A 45 6.366 2.365 -3.313 1.00 0.00 N ATOM 715 CA LYS A 45 6.469 1.727 -4.626 1.00 0.00 C ATOM 716 C LYS A 45 7.910 1.329 -4.913 1.00 0.00 C ATOM 717 O LYS A 45 8.172 0.415 -5.698 1.00 0.00 O ATOM 718 CB LYS A 45 5.935 2.641 -5.741 1.00 0.00 C ATOM 719 CG LYS A 45 4.440 2.484 -5.989 1.00 0.00 C ATOM 720 CD LYS A 45 4.010 3.138 -7.297 1.00 0.00 C ATOM 721 CE LYS A 45 2.823 2.410 -7.917 1.00 0.00 C ATOM 722 NZ LYS A 45 3.145 0.982 -8.213 1.00 0.00 N ATOM 0 H LYS A 45 6.058 3.337 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 45 5.851 0.829 -4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.146 3.679 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.473 2.427 -6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.185 1.425 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.886 2.928 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.746 4.180 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.845 3.138 -7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.972 2.458 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.526 2.914 -8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.486 0.619 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.119 0.913 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.055 0.418 -7.344 1.00 0.00 H new ATOM 736 N ALA A 46 8.844 2.016 -4.272 1.00 0.00 N ATOM 737 CA ALA A 46 10.245 1.662 -4.383 1.00 0.00 C ATOM 738 C ALA A 46 10.490 0.274 -3.789 1.00 0.00 C ATOM 739 O ALA A 46 11.357 -0.455 -4.259 1.00 0.00 O ATOM 740 CB ALA A 46 11.124 2.708 -3.706 1.00 0.00 C ATOM 0 H ALA A 46 8.655 2.819 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 46 10.512 1.636 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.171 2.421 -3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.968 3.677 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.862 2.775 -2.650 1.00 0.00 H new ATOM 746 N CYS A 47 9.694 -0.105 -2.781 1.00 0.00 N ATOM 747 CA CYS A 47 9.881 -1.390 -2.107 1.00 0.00 C ATOM 748 C CYS A 47 9.427 -2.542 -3.000 1.00 0.00 C ATOM 749 O CYS A 47 10.144 -3.530 -3.150 1.00 0.00 O ATOM 750 CB CYS A 47 9.127 -1.449 -0.771 1.00 0.00 C ATOM 751 SG CYS A 47 7.346 -1.733 -0.910 1.00 0.00 S ATOM 0 H CYS A 47 8.923 0.456 -2.419 1.00 0.00 H new ATOM 0 HA CYS A 47 10.947 -1.489 -1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.560 -2.242 -0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 47 9.290 -0.513 -0.238 1.00 0.00 H new ATOM 0 HG CYS A 47 6.799 -0.748 -1.558 1.00 0.00 H new ATOM 757 N GLU A 48 8.244 -2.404 -3.605 1.00 0.00 N ATOM 758 CA GLU A 48 7.692 -3.457 -4.462 1.00 0.00 C ATOM 759 C GLU A 48 8.627 -3.734 -5.643 1.00 0.00 C ATOM 760 O GLU A 48 8.608 -4.821 -6.228 1.00 0.00 O ATOM 761 CB GLU A 48 6.280 -3.091 -4.962 1.00 0.00 C ATOM 762 CG GLU A 48 6.232 -1.903 -5.922 1.00 0.00 C ATOM 763 CD GLU A 48 4.845 -1.665 -6.507 1.00 0.00 C ATOM 764 OE1 GLU A 48 4.445 -2.411 -7.425 1.00 0.00 O ATOM 765 OE2 GLU A 48 4.143 -0.731 -6.059 1.00 0.00 O ATOM 0 H GLU A 48 7.652 -1.578 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 48 7.608 -4.365 -3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.848 -3.960 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.650 -2.871 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.558 -1.005 -5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.939 -2.071 -6.734 1.00 0.00 H new ATOM 772 N ARG A 49 9.448 -2.745 -5.981 1.00 0.00 N ATOM 773 CA ARG A 49 10.440 -2.885 -7.043 1.00 0.00 C ATOM 774 C ARG A 49 11.786 -3.318 -6.451 1.00 0.00 C ATOM 775 O ARG A 49 12.573 -4.004 -7.101 1.00 0.00 O ATOM 776 CB ARG A 49 10.585 -1.558 -7.799 1.00 0.00 C ATOM 777 CG ARG A 49 11.419 -1.655 -9.073 1.00 0.00 C ATOM 778 CD ARG A 49 11.471 -0.324 -9.815 1.00 0.00 C ATOM 779 NE ARG A 49 12.223 0.697 -9.073 1.00 0.00 N ATOM 780 CZ ARG A 49 11.713 1.863 -8.658 1.00 0.00 C ATOM 781 NH1 ARG A 49 10.433 2.148 -8.872 1.00 0.00 N ATOM 782 NH2 ARG A 49 12.488 2.740 -8.028 1.00 0.00 N ATOM 0 H ARG A 49 9.446 -1.830 -5.531 1.00 0.00 H new ATOM 0 HA ARG A 49 10.109 -3.651 -7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.592 -1.187 -8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.039 -0.822 -7.136 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.431 -1.972 -8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.998 -2.420 -9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.931 -0.473 -10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.456 0.032 -9.991 1.00 0.00 H new ATOM 0 HE ARG A 49 13.202 0.504 -8.859 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.835 1.477 -9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.049 3.038 -8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.471 2.524 -7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.100 3.629 -7.712 1.00 0.00 H new ATOM 796 N PHE A 50 12.021 -2.924 -5.203 1.00 0.00 N ATOM 797 CA PHE A 50 13.264 -3.234 -4.493 1.00 0.00 C ATOM 798 C PHE A 50 13.358 -4.739 -4.225 1.00 0.00 C ATOM 799 O PHE A 50 14.353 -5.384 -4.556 1.00 0.00 O ATOM 800 CB PHE A 50 13.298 -2.439 -3.174 1.00 0.00 C ATOM 801 CG PHE A 50 14.649 -2.336 -2.514 1.00 0.00 C ATOM 802 CD1 PHE A 50 15.759 -1.921 -3.232 1.00 0.00 C ATOM 803 CD2 PHE A 50 14.801 -2.630 -1.166 1.00 0.00 C ATOM 804 CE1 PHE A 50 16.993 -1.805 -2.623 1.00 0.00 C ATOM 805 CE2 PHE A 50 16.033 -2.512 -0.554 1.00 0.00 C ATOM 806 CZ PHE A 50 17.129 -2.101 -1.283 1.00 0.00 C ATOM 0 H PHE A 50 11.356 -2.380 -4.652 1.00 0.00 H new ATOM 0 HA PHE A 50 14.120 -2.949 -5.104 1.00 0.00 H new ATOM 0 HB2 PHE A 50 12.930 -1.432 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 50 12.605 -2.903 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 50 15.658 -1.685 -4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 50 13.947 -2.954 -0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 50 17.850 -1.483 -3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 50 16.138 -2.742 0.496 1.00 0.00 H new ATOM 0 HZ PHE A 50 18.093 -2.011 -0.805 1.00 0.00 H new ATOM 816 N GLN A 51 12.289 -5.296 -3.657 1.00 0.00 N ATOM 817 CA GLN A 51 12.230 -6.724 -3.337 1.00 0.00 C ATOM 818 C GLN A 51 12.097 -7.558 -4.611 1.00 0.00 C ATOM 819 O GLN A 51 12.265 -8.779 -4.583 1.00 0.00 O ATOM 820 CB GLN A 51 11.056 -7.020 -2.389 1.00 0.00 C ATOM 821 CG GLN A 51 9.688 -6.660 -2.963 1.00 0.00 C ATOM 822 CD GLN A 51 8.544 -6.994 -2.019 1.00 0.00 C ATOM 823 OE1 GLN A 51 8.155 -6.178 -1.182 1.00 0.00 O ATOM 824 NE2 GLN A 51 7.986 -8.189 -2.154 1.00 0.00 N ATOM 0 H GLN A 51 11.447 -4.777 -3.407 1.00 0.00 H new ATOM 0 HA GLN A 51 13.160 -6.996 -2.837 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.065 -8.080 -2.136 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.205 -6.470 -1.460 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.664 -5.595 -3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.543 -7.191 -3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.335 -8.838 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.207 -8.459 -1.553 1.00 0.00 H new ATOM 833 N GLN A 52 11.785 -6.892 -5.721 1.00 0.00 N ATOM 834 CA GLN A 52 11.661 -7.556 -7.016 1.00 0.00 C ATOM 835 C GLN A 52 13.026 -8.060 -7.479 1.00 0.00 C ATOM 836 O GLN A 52 13.128 -9.072 -8.179 1.00 0.00 O ATOM 837 CB GLN A 52 11.066 -6.587 -8.047 1.00 0.00 C ATOM 838 CG GLN A 52 10.972 -7.149 -9.461 1.00 0.00 C ATOM 839 CD GLN A 52 10.353 -6.162 -10.435 1.00 0.00 C ATOM 840 OE1 GLN A 52 9.140 -6.150 -10.635 1.00 0.00 O ATOM 841 NE2 GLN A 52 11.179 -5.325 -11.040 1.00 0.00 N ATOM 0 H GLN A 52 11.613 -5.887 -5.749 1.00 0.00 H new ATOM 0 HA GLN A 52 10.992 -8.411 -6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.069 -6.294 -7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.673 -5.682 -8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 52 11.969 -7.421 -9.808 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.378 -8.063 -9.447 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.180 -5.367 -10.847 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.815 -4.637 -11.700 1.00 0.00 H new ATOM 850 N ILE A 53 14.068 -7.349 -7.070 1.00 0.00 N ATOM 851 CA ILE A 53 15.439 -7.719 -7.392 1.00 0.00 C ATOM 852 C ILE A 53 15.913 -8.803 -6.414 1.00 0.00 C ATOM 853 O ILE A 53 15.858 -8.611 -5.200 1.00 0.00 O ATOM 854 CB ILE A 53 16.360 -6.469 -7.325 1.00 0.00 C ATOM 855 CG1 ILE A 53 15.769 -5.350 -8.211 1.00 0.00 C ATOM 856 CG2 ILE A 53 17.789 -6.817 -7.759 1.00 0.00 C ATOM 857 CD1 ILE A 53 16.454 -4.007 -8.066 1.00 0.00 C ATOM 0 H ILE A 53 13.987 -6.502 -6.507 1.00 0.00 H new ATOM 0 HA ILE A 53 15.484 -8.115 -8.406 1.00 0.00 H new ATOM 0 HB ILE A 53 16.410 -6.117 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.825 -5.662 -9.254 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.712 -5.233 -7.970 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.414 -5.925 -7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 53 18.193 -7.585 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.778 -7.189 -8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.975 -3.281 -8.723 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.375 -3.668 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 53 17.505 -4.104 -8.337 1.00 0.00 H new ATOM 869 N PRO A 54 16.383 -9.964 -6.919 1.00 0.00 N ATOM 870 CA PRO A 54 16.681 -11.131 -6.090 1.00 0.00 C ATOM 871 C PRO A 54 18.120 -11.128 -5.574 1.00 0.00 C ATOM 872 O PRO A 54 18.674 -12.183 -5.249 1.00 0.00 O ATOM 873 CB PRO A 54 16.445 -12.310 -7.061 1.00 0.00 C ATOM 874 CG PRO A 54 16.332 -11.711 -8.442 1.00 0.00 C ATOM 875 CD PRO A 54 16.689 -10.250 -8.324 1.00 0.00 C ATOM 0 HA PRO A 54 16.067 -11.170 -5.190 1.00 0.00 H new ATOM 0 HB2 PRO A 54 17.268 -13.023 -7.013 1.00 0.00 H new ATOM 0 HB3 PRO A 54 15.537 -12.853 -6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.003 -12.216 -9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.321 -11.830 -8.832 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.738 -10.068 -8.556 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.100 -9.632 -9.002 1.00 0.00 H new ATOM 883 N ALA A 55 18.705 -9.934 -5.482 1.00 0.00 N ATOM 884 CA ALA A 55 20.100 -9.773 -5.078 1.00 0.00 C ATOM 885 C ALA A 55 21.030 -10.442 -6.090 1.00 0.00 C ATOM 886 O ALA A 55 20.621 -10.729 -7.217 1.00 0.00 O ATOM 887 CB ALA A 55 20.332 -10.337 -3.678 1.00 0.00 C ATOM 0 H ALA A 55 18.227 -9.056 -5.684 1.00 0.00 H new ATOM 0 HA ALA A 55 20.326 -8.707 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 55 21.378 -10.205 -3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 55 19.698 -9.811 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 55 20.086 -11.399 -3.668 1.00 0.00 H new ATOM 893 N SER A 56 22.290 -10.629 -5.693 1.00 0.00 N ATOM 894 CA SER A 56 23.293 -11.335 -6.495 1.00 0.00 C ATOM 895 C SER A 56 23.824 -10.441 -7.615 1.00 0.00 C ATOM 896 O SER A 56 24.978 -10.563 -8.028 1.00 0.00 O ATOM 897 CB SER A 56 22.732 -12.653 -7.059 1.00 0.00 C ATOM 898 OG SER A 56 23.754 -13.441 -7.652 1.00 0.00 O ATOM 0 H SER A 56 22.647 -10.292 -4.799 1.00 0.00 H new ATOM 0 HA SER A 56 24.127 -11.585 -5.839 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.253 -13.218 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.963 -12.435 -7.800 1.00 0.00 H new ATOM 0 HG SER A 56 23.367 -14.272 -7.999 1.00 0.00 H new ATOM 904 N ASP A 57 22.980 -9.546 -8.112 1.00 0.00 N ATOM 905 CA ASP A 57 23.409 -8.555 -9.090 1.00 0.00 C ATOM 906 C ASP A 57 23.849 -7.303 -8.344 1.00 0.00 C ATOM 907 O ASP A 57 23.109 -6.323 -8.265 1.00 0.00 O ATOM 908 CB ASP A 57 22.275 -8.222 -10.076 1.00 0.00 C ATOM 909 CG ASP A 57 22.795 -7.683 -11.405 1.00 0.00 C ATOM 910 OD1 ASP A 57 23.352 -6.564 -11.437 1.00 0.00 O ATOM 911 OD2 ASP A 57 22.644 -8.379 -12.433 1.00 0.00 O ATOM 0 H ASP A 57 21.995 -9.486 -7.854 1.00 0.00 H new ATOM 0 HA ASP A 57 24.239 -8.956 -9.672 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.682 -9.118 -10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.610 -7.486 -9.624 1.00 0.00 H new ATOM 916 N THR A 58 25.038 -7.365 -7.750 1.00 0.00 N ATOM 917 CA THR A 58 25.546 -6.285 -6.907 1.00 0.00 C ATOM 918 C THR A 58 25.612 -4.965 -7.678 1.00 0.00 C ATOM 919 O THR A 58 25.451 -3.886 -7.101 1.00 0.00 O ATOM 920 CB THR A 58 26.937 -6.646 -6.336 1.00 0.00 C ATOM 921 OG1 THR A 58 26.881 -7.949 -5.732 1.00 0.00 O ATOM 922 CG2 THR A 58 27.395 -5.625 -5.298 1.00 0.00 C ATOM 0 H THR A 58 25.673 -8.159 -7.838 1.00 0.00 H new ATOM 0 HA THR A 58 24.852 -6.157 -6.077 1.00 0.00 H new ATOM 0 HB THR A 58 27.654 -6.641 -7.157 1.00 0.00 H new ATOM 0 HG1 THR A 58 27.762 -8.180 -5.371 1.00 0.00 H new ATOM 0 HG21 THR A 58 28.376 -5.909 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 58 27.456 -4.639 -5.759 1.00 0.00 H new ATOM 0 HG23 THR A 58 26.680 -5.597 -4.475 1.00 0.00 H new ATOM 930 N GLN A 59 25.833 -5.061 -8.987 1.00 0.00 N ATOM 931 CA GLN A 59 25.811 -3.888 -9.857 1.00 0.00 C ATOM 932 C GLN A 59 24.443 -3.209 -9.786 1.00 0.00 C ATOM 933 O GLN A 59 24.346 -2.018 -9.487 1.00 0.00 O ATOM 934 CB GLN A 59 26.127 -4.290 -11.302 1.00 0.00 C ATOM 935 CG GLN A 59 26.043 -3.135 -12.298 1.00 0.00 C ATOM 936 CD GLN A 59 26.253 -3.584 -13.732 1.00 0.00 C ATOM 937 OE1 GLN A 59 25.305 -3.951 -14.425 1.00 0.00 O ATOM 938 NE2 GLN A 59 27.494 -3.557 -14.188 1.00 0.00 N ATOM 0 H GLN A 59 26.029 -5.939 -9.468 1.00 0.00 H new ATOM 0 HA GLN A 59 26.572 -3.186 -9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 59 27.129 -4.717 -11.339 1.00 0.00 H new ATOM 0 HB3 GLN A 59 25.435 -5.074 -11.610 1.00 0.00 H new ATOM 0 HG2 GLN A 59 25.068 -2.655 -12.211 1.00 0.00 H new ATOM 0 HG3 GLN A 59 26.792 -2.385 -12.043 1.00 0.00 H new ATOM 0 HE21 GLN A 59 28.253 -3.246 -13.582 1.00 0.00 H new ATOM 0 HE22 GLN A 59 27.692 -3.847 -15.146 1.00 0.00 H new ATOM 947 N GLN A 60 23.392 -3.988 -10.048 1.00 0.00 N ATOM 948 CA GLN A 60 22.016 -3.500 -9.970 1.00 0.00 C ATOM 949 C GLN A 60 21.727 -2.969 -8.572 1.00 0.00 C ATOM 950 O GLN A 60 21.226 -1.856 -8.422 1.00 0.00 O ATOM 951 CB GLN A 60 21.035 -4.629 -10.339 1.00 0.00 C ATOM 952 CG GLN A 60 19.557 -4.333 -10.064 1.00 0.00 C ATOM 953 CD GLN A 60 19.046 -3.072 -10.745 1.00 0.00 C ATOM 954 OE1 GLN A 60 18.622 -3.102 -11.902 1.00 0.00 O ATOM 955 NE2 GLN A 60 19.026 -1.972 -10.011 1.00 0.00 N ATOM 0 H GLN A 60 23.470 -4.968 -10.318 1.00 0.00 H new ATOM 0 HA GLN A 60 21.886 -2.684 -10.680 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.151 -4.856 -11.399 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.317 -5.526 -9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.958 -5.182 -10.395 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.409 -4.239 -8.988 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.387 -1.989 -9.057 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.650 -1.107 -10.399 1.00 0.00 H new ATOM 964 N LEU A 61 22.081 -3.759 -7.560 1.00 0.00 N ATOM 965 CA LEU A 61 21.839 -3.388 -6.166 1.00 0.00 C ATOM 966 C LEU A 61 22.424 -2.012 -5.850 1.00 0.00 C ATOM 967 O LEU A 61 21.804 -1.198 -5.167 1.00 0.00 O ATOM 968 CB LEU A 61 22.409 -4.451 -5.220 1.00 0.00 C ATOM 969 CG LEU A 61 21.730 -5.830 -5.298 1.00 0.00 C ATOM 970 CD1 LEU A 61 22.376 -6.805 -4.317 1.00 0.00 C ATOM 971 CD2 LEU A 61 20.228 -5.712 -5.036 1.00 0.00 C ATOM 0 H LEU A 61 22.538 -4.663 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 61 20.761 -3.333 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 61 23.471 -4.574 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU A 61 22.331 -4.083 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 61 21.867 -6.220 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 61 21.881 -7.774 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 61 23.433 -6.918 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 61 22.276 -6.420 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 61 19.769 -6.699 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.064 -5.296 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 61 19.779 -5.057 -5.783 1.00 0.00 H new ATOM 983 N ALA A 62 23.619 -1.747 -6.360 1.00 0.00 N ATOM 984 CA ALA A 62 24.245 -0.447 -6.174 1.00 0.00 C ATOM 985 C ALA A 62 23.417 0.644 -6.851 1.00 0.00 C ATOM 986 O ALA A 62 23.345 1.779 -6.372 1.00 0.00 O ATOM 987 CB ALA A 62 25.667 -0.461 -6.720 1.00 0.00 C ATOM 0 H ALA A 62 24.171 -2.411 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 62 24.289 -0.230 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 62 26.123 0.518 -6.574 1.00 0.00 H new ATOM 0 HB2 ALA A 62 26.252 -1.215 -6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.646 -0.696 -7.784 1.00 0.00 H new ATOM 993 N GLN A 63 22.769 0.279 -7.953 1.00 0.00 N ATOM 994 CA GLN A 63 22.006 1.226 -8.756 1.00 0.00 C ATOM 995 C GLN A 63 20.683 1.608 -8.088 1.00 0.00 C ATOM 996 O GLN A 63 20.477 2.779 -7.758 1.00 0.00 O ATOM 997 CB GLN A 63 21.752 0.656 -10.162 1.00 0.00 C ATOM 998 CG GLN A 63 23.021 0.480 -10.990 1.00 0.00 C ATOM 999 CD GLN A 63 23.753 1.792 -11.223 1.00 0.00 C ATOM 1000 OE1 GLN A 63 24.612 2.191 -10.434 1.00 0.00 O ATOM 1001 NE2 GLN A 63 23.418 2.473 -12.308 1.00 0.00 N ATOM 0 H GLN A 63 22.758 -0.676 -8.312 1.00 0.00 H new ATOM 0 HA GLN A 63 22.602 2.134 -8.843 1.00 0.00 H new ATOM 0 HB2 GLN A 63 21.253 -0.308 -10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 63 21.070 1.318 -10.695 1.00 0.00 H new ATOM 0 HG2 GLN A 63 23.687 -0.219 -10.483 1.00 0.00 H new ATOM 0 HG3 GLN A 63 22.764 0.035 -11.952 1.00 0.00 H new ATOM 0 HE21 GLN A 63 22.702 2.110 -12.937 1.00 0.00 H new ATOM 0 HE22 GLN A 63 23.876 3.361 -12.515 1.00 0.00 H new ATOM 1010 N GLU A 64 19.795 0.634 -7.866 1.00 0.00 N ATOM 1011 CA GLU A 64 18.444 0.949 -7.390 1.00 0.00 C ATOM 1012 C GLU A 64 18.490 1.482 -5.957 1.00 0.00 C ATOM 1013 O GLU A 64 17.752 2.407 -5.607 1.00 0.00 O ATOM 1014 CB GLU A 64 17.483 -0.259 -7.514 1.00 0.00 C ATOM 1015 CG GLU A 64 17.393 -1.165 -6.290 1.00 0.00 C ATOM 1016 CD GLU A 64 18.622 -2.025 -6.098 1.00 0.00 C ATOM 1017 OE1 GLU A 64 19.028 -2.689 -7.070 1.00 0.00 O ATOM 1018 OE2 GLU A 64 19.171 -2.045 -4.979 1.00 0.00 O ATOM 0 H GLU A 64 19.981 -0.359 -8.005 1.00 0.00 H new ATOM 0 HA GLU A 64 18.044 1.732 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 64 16.485 0.117 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.796 -0.862 -8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.243 -0.552 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.518 -1.808 -6.385 1.00 0.00 H new ATOM 1025 N ALA A 65 19.373 0.912 -5.136 1.00 0.00 N ATOM 1026 CA ALA A 65 19.579 1.399 -3.775 1.00 0.00 C ATOM 1027 C ALA A 65 20.029 2.858 -3.789 1.00 0.00 C ATOM 1028 O ALA A 65 19.515 3.688 -3.031 1.00 0.00 O ATOM 1029 CB ALA A 65 20.594 0.532 -3.037 1.00 0.00 C ATOM 0 H ALA A 65 19.955 0.114 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 65 18.629 1.337 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.731 0.914 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.231 -0.495 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.546 0.556 -3.566 1.00 0.00 H new ATOM 1035 N ARG A 66 20.985 3.171 -4.665 1.00 0.00 N ATOM 1036 CA ARG A 66 21.486 4.537 -4.800 1.00 0.00 C ATOM 1037 C ARG A 66 20.408 5.457 -5.371 1.00 0.00 C ATOM 1038 O ARG A 66 20.343 6.641 -5.026 1.00 0.00 O ATOM 1039 CB ARG A 66 22.747 4.557 -5.675 1.00 0.00 C ATOM 1040 CG ARG A 66 23.309 5.951 -5.943 1.00 0.00 C ATOM 1041 CD ARG A 66 24.759 5.900 -6.419 1.00 0.00 C ATOM 1042 NE ARG A 66 24.954 4.989 -7.552 1.00 0.00 N ATOM 1043 CZ ARG A 66 26.137 4.766 -8.133 1.00 0.00 C ATOM 1044 NH1 ARG A 66 27.221 5.411 -7.715 1.00 0.00 N ATOM 1045 NH2 ARG A 66 26.233 3.903 -9.137 1.00 0.00 N ATOM 0 H ARG A 66 21.427 2.497 -5.290 1.00 0.00 H new ATOM 0 HA ARG A 66 21.750 4.909 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.518 3.955 -5.194 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.520 4.081 -6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 66 22.698 6.450 -6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 66 23.247 6.548 -5.033 1.00 0.00 H new ATOM 0 HD2 ARG A 66 25.078 6.902 -6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 66 25.397 5.586 -5.593 1.00 0.00 H new ATOM 0 HE ARG A 66 24.139 4.497 -7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 66 27.153 6.080 -6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 66 28.122 5.238 -8.161 1.00 0.00 H new ATOM 0 HH21 ARG A 66 25.403 3.409 -9.466 1.00 0.00 H new ATOM 0 HH22 ARG A 66 27.136 3.734 -9.579 1.00 0.00 H new ATOM 1059 N ASN A 67 19.560 4.903 -6.234 1.00 0.00 N ATOM 1060 CA ASN A 67 18.434 5.650 -6.795 1.00 0.00 C ATOM 1061 C ASN A 67 17.497 6.098 -5.680 1.00 0.00 C ATOM 1062 O ASN A 67 17.199 7.286 -5.551 1.00 0.00 O ATOM 1063 CB ASN A 67 17.652 4.809 -7.819 1.00 0.00 C ATOM 1064 CG ASN A 67 18.417 4.546 -9.109 1.00 0.00 C ATOM 1065 OD1 ASN A 67 18.243 3.503 -9.739 1.00 0.00 O ATOM 1066 ND2 ASN A 67 19.245 5.493 -9.528 1.00 0.00 N ATOM 0 H ASN A 67 19.630 3.939 -6.561 1.00 0.00 H new ATOM 0 HA ASN A 67 18.838 6.522 -7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.386 3.855 -7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.719 5.320 -8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 67 19.762 5.370 -10.398 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.365 6.345 -8.980 1.00 0.00 H new ATOM 1073 N ILE A 68 17.050 5.137 -4.870 1.00 0.00 N ATOM 1074 CA ILE A 68 16.159 5.414 -3.747 1.00 0.00 C ATOM 1075 C ILE A 68 16.821 6.388 -2.770 1.00 0.00 C ATOM 1076 O ILE A 68 16.168 7.286 -2.222 1.00 0.00 O ATOM 1077 CB ILE A 68 15.762 4.106 -3.003 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.008 3.155 -3.956 1.00 0.00 C ATOM 1079 CG2 ILE A 68 14.914 4.417 -1.769 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.608 1.829 -3.331 1.00 0.00 C ATOM 0 H ILE A 68 17.294 4.152 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 68 15.252 5.867 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 68 16.674 3.611 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.111 3.658 -4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.635 2.959 -4.825 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.649 3.487 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.482 5.049 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.005 4.937 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.084 1.222 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.501 1.301 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 68 13.953 2.011 -2.479 1.00 0.00 H new ATOM 1092 N TYR A 69 18.128 6.218 -2.575 1.00 0.00 N ATOM 1093 CA TYR A 69 18.898 7.096 -1.700 1.00 0.00 C ATOM 1094 C TYR A 69 18.769 8.549 -2.154 1.00 0.00 C ATOM 1095 O TYR A 69 18.213 9.380 -1.443 1.00 0.00 O ATOM 1096 CB TYR A 69 20.377 6.673 -1.668 1.00 0.00 C ATOM 1097 CG TYR A 69 21.261 7.550 -0.788 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.433 7.270 0.564 1.00 0.00 C ATOM 1099 CD2 TYR A 69 21.932 8.651 -1.316 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.243 8.059 1.361 1.00 0.00 C ATOM 1101 CE2 TYR A 69 22.740 9.444 -0.525 1.00 0.00 C ATOM 1102 CZ TYR A 69 22.894 9.144 0.811 1.00 0.00 C ATOM 1103 OH TYR A 69 23.707 9.925 1.601 1.00 0.00 O ATOM 0 H TYR A 69 18.676 5.478 -3.013 1.00 0.00 H new ATOM 0 HA TYR A 69 18.496 7.010 -0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.441 5.643 -1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 69 20.769 6.687 -2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.925 6.422 0.999 1.00 0.00 H new ATOM 0 HD2 TYR A 69 21.818 8.889 -2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.365 7.827 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 69 23.249 10.296 -0.952 1.00 0.00 H new ATOM 0 HH TYR A 69 24.091 10.647 1.061 1.00 0.00 H new ATOM 1113 N GLN A 70 19.244 8.833 -3.363 1.00 0.00 N ATOM 1114 CA GLN A 70 19.294 10.205 -3.877 1.00 0.00 C ATOM 1115 C GLN A 70 17.907 10.743 -4.237 1.00 0.00 C ATOM 1116 O GLN A 70 17.777 11.900 -4.651 1.00 0.00 O ATOM 1117 CB GLN A 70 20.206 10.275 -5.108 1.00 0.00 C ATOM 1118 CG GLN A 70 21.664 9.938 -4.823 1.00 0.00 C ATOM 1119 CD GLN A 70 22.533 10.031 -6.066 1.00 0.00 C ATOM 1120 OE1 GLN A 70 22.710 9.050 -6.788 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.064 11.214 -6.334 1.00 0.00 N ATOM 0 H GLN A 70 19.602 8.131 -4.010 1.00 0.00 H new ATOM 0 HA GLN A 70 19.695 10.830 -3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.828 9.590 -5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 70 20.152 11.279 -5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.049 10.617 -4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.728 8.930 -4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 70 22.893 12.003 -5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 70 23.644 11.337 -7.164 1.00 0.00 H new ATOM 1130 N GLU A 71 16.874 9.917 -4.081 1.00 0.00 N ATOM 1131 CA GLU A 71 15.524 10.299 -4.494 1.00 0.00 C ATOM 1132 C GLU A 71 14.611 10.548 -3.295 1.00 0.00 C ATOM 1133 O GLU A 71 13.734 11.415 -3.347 1.00 0.00 O ATOM 1134 CB GLU A 71 14.937 9.214 -5.409 1.00 0.00 C ATOM 1135 CG GLU A 71 13.666 9.623 -6.146 1.00 0.00 C ATOM 1136 CD GLU A 71 13.268 8.609 -7.212 1.00 0.00 C ATOM 1137 OE1 GLU A 71 13.971 8.519 -8.242 1.00 0.00 O ATOM 1138 OE2 GLU A 71 12.269 7.886 -7.023 1.00 0.00 O ATOM 0 H GLU A 71 16.944 8.984 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 71 15.590 11.238 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.691 8.929 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.725 8.328 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.852 9.733 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.815 10.597 -6.611 1.00 0.00 H new ATOM 1145 N PHE A 72 14.824 9.801 -2.210 1.00 0.00 N ATOM 1146 CA PHE A 72 13.979 9.921 -1.017 1.00 0.00 C ATOM 1147 C PHE A 72 14.817 10.106 0.248 1.00 0.00 C ATOM 1148 O PHE A 72 14.427 10.837 1.163 1.00 0.00 O ATOM 1149 CB PHE A 72 13.104 8.673 -0.851 1.00 0.00 C ATOM 1150 CG PHE A 72 12.249 8.350 -2.049 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.086 9.065 -2.304 1.00 0.00 C ATOM 1152 CD2 PHE A 72 12.604 7.326 -2.913 1.00 0.00 C ATOM 1153 CE1 PHE A 72 10.300 8.762 -3.399 1.00 0.00 C ATOM 1154 CE2 PHE A 72 11.821 7.021 -4.007 1.00 0.00 C ATOM 1155 CZ PHE A 72 10.668 7.739 -4.249 1.00 0.00 C ATOM 0 H PHE A 72 15.570 9.110 -2.131 1.00 0.00 H new ATOM 0 HA PHE A 72 13.351 10.801 -1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 72 13.747 7.819 -0.637 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.457 8.810 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 72 10.793 9.865 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 72 13.505 6.760 -2.727 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.398 9.325 -3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.110 6.221 -4.673 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.053 7.500 -5.104 1.00 0.00 H new ATOM 1165 N LEU A 73 15.961 9.432 0.296 1.00 0.00 N ATOM 1166 CA LEU A 73 16.764 9.354 1.517 1.00 0.00 C ATOM 1167 C LEU A 73 17.758 10.510 1.622 1.00 0.00 C ATOM 1168 O LEU A 73 18.239 10.818 2.713 1.00 0.00 O ATOM 1169 CB LEU A 73 17.505 8.011 1.559 1.00 0.00 C ATOM 1170 CG LEU A 73 16.607 6.769 1.413 1.00 0.00 C ATOM 1171 CD1 LEU A 73 17.441 5.495 1.337 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.607 6.687 2.561 1.00 0.00 C ATOM 0 H LEU A 73 16.357 8.929 -0.498 1.00 0.00 H new ATOM 0 HA LEU A 73 16.089 9.430 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.249 7.999 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.046 7.941 2.503 1.00 0.00 H new ATOM 0 HG LEU A 73 16.052 6.866 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.781 4.634 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.107 5.547 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.032 5.392 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.983 5.802 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.144 6.623 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 73 14.978 7.577 2.560 1.00 0.00 H new ATOM 1184 N SER A 74 18.063 11.151 0.497 1.00 0.00 N ATOM 1185 CA SER A 74 19.017 12.255 0.489 1.00 0.00 C ATOM 1186 C SER A 74 18.406 13.497 1.149 1.00 0.00 C ATOM 1187 O SER A 74 17.185 13.572 1.343 1.00 0.00 O ATOM 1188 CB SER A 74 19.461 12.551 -0.949 1.00 0.00 C ATOM 1189 OG SER A 74 18.346 12.685 -1.811 1.00 0.00 O ATOM 0 H SER A 74 17.666 10.927 -0.415 1.00 0.00 H new ATOM 0 HA SER A 74 19.896 11.971 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.052 13.467 -0.969 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.106 11.748 -1.306 1.00 0.00 H new ATOM 0 HG SER A 74 18.657 12.875 -2.721 1.00 0.00 H new ATOM 1195 N SER A 75 19.252 14.461 1.506 1.00 0.00 N ATOM 1196 CA SER A 75 18.796 15.677 2.170 1.00 0.00 C ATOM 1197 C SER A 75 17.883 16.476 1.237 1.00 0.00 C ATOM 1198 O SER A 75 16.725 16.752 1.569 1.00 0.00 O ATOM 1199 CB SER A 75 19.996 16.528 2.613 1.00 0.00 C ATOM 1200 OG SER A 75 19.579 17.697 3.297 1.00 0.00 O ATOM 0 H SER A 75 20.259 14.422 1.346 1.00 0.00 H new ATOM 0 HA SER A 75 18.228 15.400 3.058 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.643 15.937 3.261 1.00 0.00 H new ATOM 0 HB3 SER A 75 20.587 16.807 1.741 1.00 0.00 H new ATOM 0 HG SER A 75 20.365 18.216 3.567 1.00 0.00 H new ATOM 1206 N GLN A 76 18.403 16.799 0.054 1.00 0.00 N ATOM 1207 CA GLN A 76 17.669 17.577 -0.942 1.00 0.00 C ATOM 1208 C GLN A 76 17.077 16.631 -1.989 1.00 0.00 C ATOM 1209 O GLN A 76 17.172 16.861 -3.199 1.00 0.00 O ATOM 1210 CB GLN A 76 18.605 18.608 -1.596 1.00 0.00 C ATOM 1211 CG GLN A 76 17.884 19.636 -2.463 1.00 0.00 C ATOM 1212 CD GLN A 76 18.843 20.577 -3.168 1.00 0.00 C ATOM 1213 OE1 GLN A 76 19.201 21.630 -2.640 1.00 0.00 O ATOM 1214 NE2 GLN A 76 19.263 20.204 -4.368 1.00 0.00 N ATOM 0 H GLN A 76 19.342 16.530 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 76 16.854 18.118 -0.460 1.00 0.00 H new ATOM 0 HB2 GLN A 76 19.157 19.130 -0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 76 19.338 18.082 -2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.277 19.118 -3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 76 17.202 20.216 -1.842 1.00 0.00 H new ATOM 0 HE21 GLN A 76 18.942 19.323 -4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 76 19.907 20.798 -4.890 1.00 0.00 H new ATOM 1223 N ALA A 77 16.477 15.557 -1.497 1.00 0.00 N ATOM 1224 CA ALA A 77 15.858 14.538 -2.342 1.00 0.00 C ATOM 1225 C ALA A 77 14.759 15.120 -3.235 1.00 0.00 C ATOM 1226 O ALA A 77 14.242 16.212 -2.975 1.00 0.00 O ATOM 1227 CB ALA A 77 15.295 13.426 -1.465 1.00 0.00 C ATOM 0 H ALA A 77 16.404 15.364 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 77 16.626 14.135 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.833 12.665 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 77 16.101 12.977 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.548 13.840 -0.788 1.00 0.00 H new ATOM 1233 N LEU A 78 14.405 14.378 -4.287 1.00 0.00 N ATOM 1234 CA LEU A 78 13.321 14.774 -5.189 1.00 0.00 C ATOM 1235 C LEU A 78 12.030 14.921 -4.393 1.00 0.00 C ATOM 1236 O LEU A 78 11.258 15.866 -4.586 1.00 0.00 O ATOM 1237 CB LEU A 78 13.132 13.738 -6.315 1.00 0.00 C ATOM 1238 CG LEU A 78 14.237 13.692 -7.391 1.00 0.00 C ATOM 1239 CD1 LEU A 78 15.582 13.284 -6.796 1.00 0.00 C ATOM 1240 CD2 LEU A 78 13.840 12.745 -8.525 1.00 0.00 C ATOM 0 H LEU A 78 14.855 13.497 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 78 13.580 15.728 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 78 13.054 12.750 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 78 12.181 13.938 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 78 14.348 14.697 -7.797 1.00 0.00 H new ATOM 0 HD11 LEU A 78 16.336 13.262 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.875 14.004 -6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.496 12.294 -6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.630 12.724 -9.275 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.692 11.741 -8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.914 13.094 -8.983 1.00 0.00 H new ATOM 1252 N SER A 79 11.816 13.972 -3.494 1.00 0.00 N ATOM 1253 CA SER A 79 10.712 14.019 -2.552 1.00 0.00 C ATOM 1254 C SER A 79 11.177 13.452 -1.209 1.00 0.00 C ATOM 1255 O SER A 79 11.070 12.248 -0.959 1.00 0.00 O ATOM 1256 CB SER A 79 9.509 13.242 -3.101 1.00 0.00 C ATOM 1257 OG SER A 79 9.887 11.937 -3.508 1.00 0.00 O ATOM 0 H SER A 79 12.406 13.146 -3.398 1.00 0.00 H new ATOM 0 HA SER A 79 10.394 15.051 -2.406 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.734 13.178 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.080 13.780 -3.946 1.00 0.00 H new ATOM 0 HG SER A 79 10.356 11.488 -2.774 1.00 0.00 H new ATOM 1263 N PRO A 80 11.761 14.310 -0.349 1.00 0.00 N ATOM 1264 CA PRO A 80 12.303 13.883 0.942 1.00 0.00 C ATOM 1265 C PRO A 80 11.208 13.378 1.879 1.00 0.00 C ATOM 1266 O PRO A 80 10.464 14.164 2.468 1.00 0.00 O ATOM 1267 CB PRO A 80 12.977 15.148 1.499 1.00 0.00 C ATOM 1268 CG PRO A 80 12.305 16.280 0.797 1.00 0.00 C ATOM 1269 CD PRO A 80 11.929 15.761 -0.567 1.00 0.00 C ATOM 0 HA PRO A 80 12.995 13.047 0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.849 15.221 2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.049 15.143 1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.423 16.610 1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.971 17.139 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.011 16.221 -0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 80 12.705 15.969 -1.304 1.00 0.00 H new ATOM 1277 N VAL A 81 11.119 12.057 2.002 1.00 0.00 N ATOM 1278 CA VAL A 81 10.104 11.411 2.833 1.00 0.00 C ATOM 1279 C VAL A 81 10.225 11.818 4.307 1.00 0.00 C ATOM 1280 O VAL A 81 9.323 11.556 5.105 1.00 0.00 O ATOM 1281 CB VAL A 81 10.180 9.873 2.702 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.721 9.428 1.314 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.595 9.373 2.986 1.00 0.00 C ATOM 0 H VAL A 81 11.746 11.405 1.531 1.00 0.00 H new ATOM 0 HA VAL A 81 9.134 11.751 2.470 1.00 0.00 H new ATOM 0 HB VAL A 81 9.510 9.436 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.782 8.342 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.691 9.745 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.363 9.879 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.624 8.288 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.289 9.820 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.884 9.653 3.999 1.00 0.00 H new ATOM 1293 N ASN A 82 11.356 12.435 4.657 1.00 0.00 N ATOM 1294 CA ASN A 82 11.552 13.053 5.976 1.00 0.00 C ATOM 1295 C ASN A 82 11.593 12.004 7.098 1.00 0.00 C ATOM 1296 O ASN A 82 11.413 12.325 8.274 1.00 0.00 O ATOM 1297 CB ASN A 82 10.444 14.093 6.242 1.00 0.00 C ATOM 1298 CG ASN A 82 10.708 14.953 7.470 1.00 0.00 C ATOM 1299 OD1 ASN A 82 11.857 15.267 7.792 1.00 0.00 O ATOM 1300 ND2 ASN A 82 9.647 15.337 8.165 1.00 0.00 N ATOM 0 H ASN A 82 12.162 12.522 4.038 1.00 0.00 H new ATOM 0 HA ASN A 82 12.519 13.556 5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.344 14.739 5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.492 13.576 6.367 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.764 15.913 8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.713 15.057 7.866 1.00 0.00 H new ATOM 1307 N ILE A 83 11.852 10.752 6.728 1.00 0.00 N ATOM 1308 CA ILE A 83 11.989 9.669 7.705 1.00 0.00 C ATOM 1309 C ILE A 83 13.271 9.838 8.525 1.00 0.00 C ATOM 1310 O ILE A 83 13.916 10.889 8.471 1.00 0.00 O ATOM 1311 CB ILE A 83 12.002 8.286 7.007 1.00 0.00 C ATOM 1312 CG1 ILE A 83 13.149 8.216 5.984 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.655 8.007 6.346 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.187 6.926 5.193 1.00 0.00 C ATOM 0 H ILE A 83 11.972 10.460 5.758 1.00 0.00 H new ATOM 0 HA ILE A 83 11.128 9.718 8.371 1.00 0.00 H new ATOM 0 HB ILE A 83 12.171 7.515 7.759 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.057 9.053 5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 83 14.097 8.338 6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.683 7.031 5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.870 8.014 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.448 8.776 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.022 6.953 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.311 6.085 5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.255 6.810 4.640 1.00 0.00 H new ATOM 1326 N ASP A 84 13.637 8.807 9.280 1.00 0.00 N ATOM 1327 CA ASP A 84 14.831 8.849 10.117 1.00 0.00 C ATOM 1328 C ASP A 84 16.098 8.834 9.261 1.00 0.00 C ATOM 1329 O ASP A 84 16.721 7.796 9.060 1.00 0.00 O ATOM 1330 CB ASP A 84 14.832 7.691 11.135 1.00 0.00 C ATOM 1331 CG ASP A 84 14.570 6.325 10.504 1.00 0.00 C ATOM 1332 OD1 ASP A 84 13.417 6.077 10.079 1.00 0.00 O ATOM 1333 OD2 ASP A 84 15.495 5.486 10.466 1.00 0.00 O ATOM 0 H ASP A 84 13.121 7.928 9.329 1.00 0.00 H new ATOM 0 HA ASP A 84 14.818 9.784 10.677 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.795 7.668 11.646 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.073 7.884 11.893 1.00 0.00 H new ATOM 1338 N ARG A 85 16.449 10.004 8.730 1.00 0.00 N ATOM 1339 CA ARG A 85 17.664 10.171 7.937 1.00 0.00 C ATOM 1340 C ARG A 85 18.834 10.536 8.847 1.00 0.00 C ATOM 1341 O ARG A 85 19.945 10.030 8.688 1.00 0.00 O ATOM 1342 CB ARG A 85 17.468 11.264 6.875 1.00 0.00 C ATOM 1343 CG ARG A 85 16.374 10.957 5.857 1.00 0.00 C ATOM 1344 CD ARG A 85 16.225 12.081 4.834 1.00 0.00 C ATOM 1345 NE ARG A 85 15.856 13.353 5.463 1.00 0.00 N ATOM 1346 CZ ARG A 85 15.761 14.517 4.816 1.00 0.00 C ATOM 1347 NH1 ARG A 85 16.031 14.595 3.514 1.00 0.00 N ATOM 1348 NH2 ARG A 85 15.405 15.606 5.480 1.00 0.00 N ATOM 0 H ARG A 85 15.902 10.858 8.837 1.00 0.00 H new ATOM 0 HA ARG A 85 17.881 9.229 7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.230 12.203 7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.409 11.414 6.346 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.607 10.025 5.342 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.426 10.808 6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 85 17.162 12.204 4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.466 11.806 4.101 1.00 0.00 H new ATOM 0 HE ARG A 85 15.658 13.348 6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.314 13.760 3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.955 15.490 3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 85 15.206 15.552 6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.330 16.499 4.993 1.00 0.00 H new ATOM 1362 N GLN A 86 18.563 11.411 9.813 1.00 0.00 N ATOM 1363 CA GLN A 86 19.580 11.855 10.767 1.00 0.00 C ATOM 1364 C GLN A 86 20.091 10.678 11.603 1.00 0.00 C ATOM 1365 O GLN A 86 21.216 10.696 12.110 1.00 0.00 O ATOM 1366 CB GLN A 86 19.003 12.947 11.679 1.00 0.00 C ATOM 1367 CG GLN A 86 18.478 14.162 10.919 1.00 0.00 C ATOM 1368 CD GLN A 86 17.878 15.222 11.830 1.00 0.00 C ATOM 1369 OE1 GLN A 86 17.344 14.915 12.898 1.00 0.00 O ATOM 1370 NE2 GLN A 86 17.963 16.478 11.419 1.00 0.00 N ATOM 0 H GLN A 86 17.644 11.829 9.957 1.00 0.00 H new ATOM 0 HA GLN A 86 20.422 12.267 10.210 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.194 12.523 12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.775 13.271 12.377 1.00 0.00 H new ATOM 0 HG2 GLN A 86 19.292 14.604 10.345 1.00 0.00 H new ATOM 0 HG3 GLN A 86 17.723 13.837 10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 86 18.412 16.694 10.529 1.00 0.00 H new ATOM 0 HE22 GLN A 86 17.579 17.229 11.992 1.00 0.00 H new ATOM 1379 N ALA A 87 19.253 9.653 11.727 1.00 0.00 N ATOM 1380 CA ALA A 87 19.592 8.444 12.474 1.00 0.00 C ATOM 1381 C ALA A 87 19.572 7.232 11.545 1.00 0.00 C ATOM 1382 O ALA A 87 19.331 6.101 11.977 1.00 0.00 O ATOM 1383 CB ALA A 87 18.612 8.258 13.630 1.00 0.00 C ATOM 0 H ALA A 87 18.321 9.636 11.313 1.00 0.00 H new ATOM 0 HA ALA A 87 20.597 8.544 12.885 1.00 0.00 H new ATOM 0 HB1 ALA A 87 18.869 7.355 14.184 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.667 9.120 14.295 1.00 0.00 H new ATOM 0 HB3 ALA A 87 17.599 8.166 13.237 1.00 0.00 H new ATOM 1389 N TRP A 88 19.839 7.476 10.266 1.00 0.00 N ATOM 1390 CA TRP A 88 19.788 6.427 9.254 1.00 0.00 C ATOM 1391 C TRP A 88 21.108 5.654 9.202 1.00 0.00 C ATOM 1392 O TRP A 88 22.111 6.083 9.782 1.00 0.00 O ATOM 1393 CB TRP A 88 19.467 7.035 7.882 1.00 0.00 C ATOM 1394 CG TRP A 88 19.105 6.015 6.850 1.00 0.00 C ATOM 1395 CD1 TRP A 88 18.027 5.178 6.877 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.811 5.724 5.641 1.00 0.00 C ATOM 1397 NE1 TRP A 88 18.033 4.370 5.769 1.00 0.00 N ATOM 1398 CE2 TRP A 88 19.115 4.690 4.993 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.967 6.234 5.047 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 19.537 4.159 3.783 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 21.385 5.705 3.842 1.00 0.00 C ATOM 1402 CH2 TRP A 88 20.671 4.676 3.220 1.00 0.00 C ATOM 0 H TRP A 88 20.094 8.395 9.905 1.00 0.00 H new ATOM 0 HA TRP A 88 18.998 5.726 9.523 1.00 0.00 H new ATOM 0 HB2 TRP A 88 18.643 7.741 7.989 1.00 0.00 H new ATOM 0 HB3 TRP A 88 20.330 7.603 7.534 1.00 0.00 H new ATOM 0 HD1 TRP A 88 17.280 5.155 7.656 1.00 0.00 H new ATOM 0 HE1 TRP A 88 17.344 3.648 5.557 1.00 0.00 H new ATOM 0 HE3 TRP A 88 21.524 7.028 5.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.988 3.363 3.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 22.277 6.092 3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 88 21.022 4.282 2.277 1.00 0.00 H new ATOM 1413 N LEU A 89 21.090 4.522 8.498 1.00 0.00 N ATOM 1414 CA LEU A 89 22.252 3.641 8.374 1.00 0.00 C ATOM 1415 C LEU A 89 23.471 4.423 7.885 1.00 0.00 C ATOM 1416 O LEU A 89 24.487 4.515 8.577 1.00 0.00 O ATOM 1417 CB LEU A 89 21.934 2.499 7.399 1.00 0.00 C ATOM 1418 CG LEU A 89 20.619 1.750 7.676 1.00 0.00 C ATOM 1419 CD1 LEU A 89 20.375 0.669 6.625 1.00 0.00 C ATOM 1420 CD2 LEU A 89 20.621 1.149 9.081 1.00 0.00 C ATOM 0 H LEU A 89 20.267 4.189 7.996 1.00 0.00 H new ATOM 0 HA LEU A 89 22.482 3.225 9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 89 21.896 2.905 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 89 22.754 1.782 7.424 1.00 0.00 H new ATOM 0 HG LEU A 89 19.803 2.470 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.439 0.154 6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 89 20.315 1.128 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 89 21.196 -0.048 6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.681 0.625 9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 89 21.450 0.448 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 89 20.733 1.945 9.817 1.00 0.00 H new ATOM 1432 N GLY A 90 23.359 4.981 6.686 1.00 0.00 N ATOM 1433 CA GLY A 90 24.403 5.840 6.161 1.00 0.00 C ATOM 1434 C GLY A 90 25.035 5.316 4.886 1.00 0.00 C ATOM 1435 O GLY A 90 24.516 4.395 4.248 1.00 0.00 O ATOM 0 H GLY A 90 22.560 4.853 6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.987 6.829 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 90 25.178 5.961 6.918 1.00 0.00 H new ATOM 1439 N GLU A 91 26.173 5.910 4.538 1.00 0.00 N ATOM 1440 CA GLU A 91 26.924 5.588 3.321 1.00 0.00 C ATOM 1441 C GLU A 91 27.264 4.097 3.208 1.00 0.00 C ATOM 1442 O GLU A 91 27.579 3.613 2.116 1.00 0.00 O ATOM 1443 CB GLU A 91 28.213 6.422 3.290 1.00 0.00 C ATOM 1444 CG GLU A 91 29.051 6.290 4.559 1.00 0.00 C ATOM 1445 CD GLU A 91 30.274 7.190 4.560 1.00 0.00 C ATOM 1446 OE1 GLU A 91 30.107 8.428 4.590 1.00 0.00 O ATOM 1447 OE2 GLU A 91 31.409 6.668 4.552 1.00 0.00 O ATOM 0 H GLU A 91 26.609 6.641 5.100 1.00 0.00 H new ATOM 0 HA GLU A 91 26.289 5.830 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 91 28.814 6.117 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.955 7.471 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 91 28.431 6.528 5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 91 29.370 5.254 4.671 1.00 0.00 H new ATOM 1454 N GLU A 92 27.179 3.369 4.323 1.00 0.00 N ATOM 1455 CA GLU A 92 27.523 1.949 4.351 1.00 0.00 C ATOM 1456 C GLU A 92 26.644 1.179 3.373 1.00 0.00 C ATOM 1457 O GLU A 92 27.048 0.150 2.826 1.00 0.00 O ATOM 1458 CB GLU A 92 27.361 1.390 5.772 1.00 0.00 C ATOM 1459 CG GLU A 92 25.952 1.538 6.343 1.00 0.00 C ATOM 1460 CD GLU A 92 25.846 1.037 7.775 1.00 0.00 C ATOM 1461 OE1 GLU A 92 25.553 -0.160 7.978 1.00 0.00 O ATOM 1462 OE2 GLU A 92 26.055 1.838 8.710 1.00 0.00 O ATOM 0 H GLU A 92 26.873 3.743 5.221 1.00 0.00 H new ATOM 0 HA GLU A 92 28.564 1.833 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.631 0.334 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 92 28.064 1.897 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.657 2.587 6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.250 0.987 5.716 1.00 0.00 H new ATOM 1469 N VAL A 93 25.447 1.710 3.147 1.00 0.00 N ATOM 1470 CA VAL A 93 24.494 1.109 2.229 1.00 0.00 C ATOM 1471 C VAL A 93 24.979 1.236 0.785 1.00 0.00 C ATOM 1472 O VAL A 93 24.847 0.310 -0.013 1.00 0.00 O ATOM 1473 CB VAL A 93 23.097 1.761 2.360 1.00 0.00 C ATOM 1474 CG1 VAL A 93 22.127 1.187 1.327 1.00 0.00 C ATOM 1475 CG2 VAL A 93 22.555 1.586 3.778 1.00 0.00 C ATOM 0 H VAL A 93 25.114 2.564 3.594 1.00 0.00 H new ATOM 0 HA VAL A 93 24.413 0.054 2.491 1.00 0.00 H new ATOM 0 HB VAL A 93 23.198 2.828 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.152 1.662 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 93 22.509 1.377 0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.027 0.112 1.479 1.00 0.00 H new ATOM 0 HG21 VAL A 93 21.572 2.051 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 93 22.472 0.524 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 93 23.234 2.059 4.488 1.00 0.00 H new ATOM 1485 N LEU A 94 25.550 2.392 0.464 1.00 0.00 N ATOM 1486 CA LEU A 94 26.036 2.664 -0.886 1.00 0.00 C ATOM 1487 C LEU A 94 27.294 1.852 -1.165 1.00 0.00 C ATOM 1488 O LEU A 94 27.650 1.605 -2.319 1.00 0.00 O ATOM 1489 CB LEU A 94 26.318 4.165 -1.076 1.00 0.00 C ATOM 1490 CG LEU A 94 25.084 5.091 -1.046 1.00 0.00 C ATOM 1491 CD1 LEU A 94 24.020 4.612 -2.031 1.00 0.00 C ATOM 1492 CD2 LEU A 94 24.504 5.208 0.363 1.00 0.00 C ATOM 0 H LEU A 94 25.688 3.159 1.122 1.00 0.00 H new ATOM 0 HA LEU A 94 25.261 2.371 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 94 27.009 4.487 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 94 26.828 4.301 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 94 25.412 6.084 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 94 23.160 5.281 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 94 24.432 4.611 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 94 23.707 3.602 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 94 23.637 5.868 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 94 24.203 4.222 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.259 5.618 1.034 1.00 0.00 H new ATOM 1504 N ALA A 95 27.967 1.449 -0.092 1.00 0.00 N ATOM 1505 CA ALA A 95 29.145 0.603 -0.194 1.00 0.00 C ATOM 1506 C ALA A 95 28.734 -0.843 -0.460 1.00 0.00 C ATOM 1507 O ALA A 95 29.235 -1.484 -1.388 1.00 0.00 O ATOM 1508 CB ALA A 95 29.982 0.700 1.080 1.00 0.00 C ATOM 0 H ALA A 95 27.712 1.698 0.864 1.00 0.00 H new ATOM 0 HA ALA A 95 29.753 0.949 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.860 0.061 0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 95 30.298 1.732 1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 95 29.385 0.376 1.933 1.00 0.00 H new ATOM 1514 N GLU A 96 27.805 -1.346 0.352 1.00 0.00 N ATOM 1515 CA GLU A 96 27.356 -2.734 0.258 1.00 0.00 C ATOM 1516 C GLU A 96 25.826 -2.800 0.291 1.00 0.00 C ATOM 1517 O GLU A 96 25.218 -2.754 1.362 1.00 0.00 O ATOM 1518 CB GLU A 96 27.960 -3.561 1.401 1.00 0.00 C ATOM 1519 CG GLU A 96 29.482 -3.475 1.467 1.00 0.00 C ATOM 1520 CD GLU A 96 30.075 -4.342 2.558 1.00 0.00 C ATOM 1521 OE1 GLU A 96 30.070 -3.915 3.731 1.00 0.00 O ATOM 1522 OE2 GLU A 96 30.556 -5.453 2.246 1.00 0.00 O ATOM 0 H GLU A 96 27.346 -0.808 1.087 1.00 0.00 H new ATOM 0 HA GLU A 96 27.696 -3.153 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 96 27.542 -3.219 2.348 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.666 -4.604 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.900 -3.774 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 96 29.775 -2.439 1.634 1.00 0.00 H new ATOM 1529 N PRO A 97 25.191 -2.881 -0.892 1.00 0.00 N ATOM 1530 CA PRO A 97 23.734 -2.873 -1.020 1.00 0.00 C ATOM 1531 C PRO A 97 23.102 -4.267 -0.900 1.00 0.00 C ATOM 1532 O PRO A 97 23.799 -5.290 -0.909 1.00 0.00 O ATOM 1533 CB PRO A 97 23.542 -2.301 -2.425 1.00 0.00 C ATOM 1534 CG PRO A 97 24.719 -2.807 -3.198 1.00 0.00 C ATOM 1535 CD PRO A 97 25.851 -2.968 -2.211 1.00 0.00 C ATOM 0 HA PRO A 97 23.250 -2.304 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.603 -2.637 -2.866 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.515 -1.211 -2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.487 -3.757 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.992 -2.108 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 97 26.360 -3.923 -2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.602 -2.187 -2.334 1.00 0.00 H new ATOM 1543 N ARG A 98 21.772 -4.288 -0.803 1.00 0.00 N ATOM 1544 CA ARG A 98 20.999 -5.520 -0.634 1.00 0.00 C ATOM 1545 C ARG A 98 19.512 -5.209 -0.824 1.00 0.00 C ATOM 1546 O ARG A 98 19.037 -4.168 -0.367 1.00 0.00 O ATOM 1547 CB ARG A 98 21.252 -6.130 0.755 1.00 0.00 C ATOM 1548 CG ARG A 98 20.961 -5.170 1.903 1.00 0.00 C ATOM 1549 CD ARG A 98 21.430 -5.714 3.245 1.00 0.00 C ATOM 1550 NE ARG A 98 20.546 -6.758 3.760 1.00 0.00 N ATOM 1551 CZ ARG A 98 20.733 -7.391 4.917 1.00 0.00 C ATOM 1552 NH1 ARG A 98 21.827 -7.165 5.638 1.00 0.00 N ATOM 1553 NH2 ARG A 98 19.829 -8.260 5.346 1.00 0.00 N ATOM 0 H ARG A 98 21.197 -3.446 -0.840 1.00 0.00 H new ATOM 0 HA ARG A 98 21.313 -6.249 -1.381 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.633 -7.020 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.291 -6.454 0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.451 -4.216 1.709 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.890 -4.974 1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 98 22.438 -6.114 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.484 -4.899 3.966 1.00 0.00 H new ATOM 0 HE ARG A 98 19.735 -7.018 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 98 22.529 -6.504 5.306 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.964 -7.653 6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.993 -8.442 4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.969 -8.746 6.232 1.00 0.00 H new ATOM 1567 N PRO A 99 18.748 -6.120 -1.456 1.00 0.00 N ATOM 1568 CA PRO A 99 17.364 -5.847 -1.889 1.00 0.00 C ATOM 1569 C PRO A 99 16.350 -5.850 -0.740 1.00 0.00 C ATOM 1570 O PRO A 99 15.142 -5.939 -0.969 1.00 0.00 O ATOM 1571 CB PRO A 99 17.086 -7.000 -2.857 1.00 0.00 C ATOM 1572 CG PRO A 99 17.892 -8.127 -2.312 1.00 0.00 C ATOM 1573 CD PRO A 99 19.158 -7.504 -1.780 1.00 0.00 C ATOM 0 HA PRO A 99 17.264 -4.852 -2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.025 -7.247 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.387 -6.749 -3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.351 -8.649 -1.523 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.113 -8.861 -3.087 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.526 -8.031 -0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.958 -7.523 -2.521 1.00 0.00 H new ATOM 1581 N ASP A 100 16.836 -5.742 0.493 1.00 0.00 N ATOM 1582 CA ASP A 100 15.961 -5.708 1.667 1.00 0.00 C ATOM 1583 C ASP A 100 16.422 -4.631 2.645 1.00 0.00 C ATOM 1584 O ASP A 100 15.865 -4.487 3.733 1.00 0.00 O ATOM 1585 CB ASP A 100 15.948 -7.079 2.362 1.00 0.00 C ATOM 1586 CG ASP A 100 17.296 -7.438 2.972 1.00 0.00 C ATOM 1587 OD1 ASP A 100 18.260 -7.660 2.209 1.00 0.00 O ATOM 1588 OD2 ASP A 100 17.404 -7.487 4.217 1.00 0.00 O ATOM 0 H ASP A 100 17.831 -5.676 0.708 1.00 0.00 H new ATOM 0 HA ASP A 100 14.950 -5.470 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 100 15.188 -7.079 3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 100 15.664 -7.845 1.641 1.00 0.00 H new ATOM 1593 N MET A 101 17.409 -3.847 2.224 1.00 0.00 N ATOM 1594 CA MET A 101 18.080 -2.887 3.101 1.00 0.00 C ATOM 1595 C MET A 101 17.120 -1.832 3.660 1.00 0.00 C ATOM 1596 O MET A 101 17.291 -1.365 4.788 1.00 0.00 O ATOM 1597 CB MET A 101 19.212 -2.184 2.336 1.00 0.00 C ATOM 1598 CG MET A 101 20.136 -1.326 3.205 1.00 0.00 C ATOM 1599 SD MET A 101 21.337 -2.287 4.163 1.00 0.00 S ATOM 1600 CE MET A 101 20.348 -2.894 5.532 1.00 0.00 C ATOM 0 H MET A 101 17.767 -3.857 1.269 1.00 0.00 H new ATOM 0 HA MET A 101 18.481 -3.451 3.943 1.00 0.00 H new ATOM 0 HB2 MET A 101 19.812 -2.939 1.828 1.00 0.00 H new ATOM 0 HB3 MET A 101 18.773 -1.553 1.564 1.00 0.00 H new ATOM 0 HG2 MET A 101 20.672 -0.624 2.566 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.529 -0.734 3.890 1.00 0.00 H new ATOM 0 HE1 MET A 101 20.943 -2.879 6.445 1.00 0.00 H new ATOM 0 HE2 MET A 101 19.473 -2.257 5.659 1.00 0.00 H new ATOM 0 HE3 MET A 101 20.027 -3.915 5.324 1.00 0.00 H new ATOM 1610 N PHE A 102 16.110 -1.462 2.876 1.00 0.00 N ATOM 1611 CA PHE A 102 15.262 -0.314 3.215 1.00 0.00 C ATOM 1612 C PHE A 102 13.880 -0.733 3.720 1.00 0.00 C ATOM 1613 O PHE A 102 13.000 0.117 3.865 1.00 0.00 O ATOM 1614 CB PHE A 102 15.106 0.603 1.990 1.00 0.00 C ATOM 1615 CG PHE A 102 16.417 1.042 1.385 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.497 1.365 2.193 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.572 1.129 0.008 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.698 1.762 1.642 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.774 1.527 -0.545 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.837 1.843 0.273 1.00 0.00 C ATOM 0 H PHE A 102 15.857 -1.934 2.008 1.00 0.00 H new ATOM 0 HA PHE A 102 15.758 0.221 4.025 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.523 0.082 1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.537 1.486 2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.397 1.305 3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.743 0.883 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.530 2.010 2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.880 1.590 -1.618 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.777 2.154 -0.158 1.00 0.00 H new ATOM 1630 N ARG A 103 13.689 -2.020 4.017 1.00 0.00 N ATOM 1631 CA ARG A 103 12.368 -2.516 4.425 1.00 0.00 C ATOM 1632 C ARG A 103 11.851 -1.774 5.661 1.00 0.00 C ATOM 1633 O ARG A 103 10.677 -1.407 5.726 1.00 0.00 O ATOM 1634 CB ARG A 103 12.390 -4.030 4.689 1.00 0.00 C ATOM 1635 CG ARG A 103 12.560 -4.874 3.428 1.00 0.00 C ATOM 1636 CD ARG A 103 12.303 -6.356 3.696 1.00 0.00 C ATOM 1637 NE ARG A 103 13.247 -6.919 4.662 1.00 0.00 N ATOM 1638 CZ ARG A 103 13.085 -8.094 5.278 1.00 0.00 C ATOM 1639 NH1 ARG A 103 11.986 -8.816 5.079 1.00 0.00 N ATOM 1640 NH2 ARG A 103 14.022 -8.538 6.104 1.00 0.00 N ATOM 0 H ARG A 103 14.420 -2.731 3.984 1.00 0.00 H new ATOM 0 HA ARG A 103 11.687 -2.323 3.596 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.203 -4.257 5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.462 -4.316 5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.874 -4.520 2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.570 -4.745 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.286 -6.484 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.372 -6.909 2.759 1.00 0.00 H new ATOM 0 HE ARG A 103 14.084 -6.379 4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.258 -8.474 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.871 -9.712 5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.862 -7.983 6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.903 -9.434 6.576 1.00 0.00 H new ATOM 1654 N ALA A 104 12.737 -1.540 6.624 1.00 0.00 N ATOM 1655 CA ALA A 104 12.375 -0.843 7.855 1.00 0.00 C ATOM 1656 C ALA A 104 11.779 0.533 7.552 1.00 0.00 C ATOM 1657 O ALA A 104 10.659 0.846 7.969 1.00 0.00 O ATOM 1658 CB ALA A 104 13.595 -0.714 8.764 1.00 0.00 C ATOM 0 H ALA A 104 13.715 -1.824 6.576 1.00 0.00 H new ATOM 0 HA ALA A 104 11.614 -1.429 8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.314 -0.193 9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.970 -1.707 9.013 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.374 -0.150 8.250 1.00 0.00 H new ATOM 1664 N GLN A 105 12.524 1.339 6.799 1.00 0.00 N ATOM 1665 CA GLN A 105 12.086 2.689 6.439 1.00 0.00 C ATOM 1666 C GLN A 105 10.798 2.641 5.613 1.00 0.00 C ATOM 1667 O GLN A 105 9.941 3.521 5.727 1.00 0.00 O ATOM 1668 CB GLN A 105 13.184 3.427 5.652 1.00 0.00 C ATOM 1669 CG GLN A 105 14.407 3.832 6.479 1.00 0.00 C ATOM 1670 CD GLN A 105 15.236 2.651 6.959 1.00 0.00 C ATOM 1671 OE1 GLN A 105 16.132 2.185 6.257 1.00 0.00 O ATOM 1672 NE2 GLN A 105 14.955 2.174 8.160 1.00 0.00 N ATOM 0 H GLN A 105 13.437 1.081 6.424 1.00 0.00 H new ATOM 0 HA GLN A 105 11.890 3.233 7.363 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.513 2.790 4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.752 4.323 5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 105 15.038 4.489 5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 105 14.076 4.408 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 105 14.203 2.589 8.711 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.490 1.391 8.536 1.00 0.00 H new ATOM 1681 N GLN A 106 10.669 1.602 4.791 1.00 0.00 N ATOM 1682 CA GLN A 106 9.495 1.424 3.938 1.00 0.00 C ATOM 1683 C GLN A 106 8.217 1.342 4.770 1.00 0.00 C ATOM 1684 O GLN A 106 7.230 2.023 4.481 1.00 0.00 O ATOM 1685 CB GLN A 106 9.651 0.163 3.075 1.00 0.00 C ATOM 1686 CG GLN A 106 10.660 0.321 1.943 1.00 0.00 C ATOM 1687 CD GLN A 106 10.216 1.346 0.917 1.00 0.00 C ATOM 1688 OE1 GLN A 106 9.024 1.542 0.705 1.00 0.00 O ATOM 1689 NE2 GLN A 106 11.165 1.999 0.268 1.00 0.00 N ATOM 0 H GLN A 106 11.368 0.865 4.697 1.00 0.00 H new ATOM 0 HA GLN A 106 9.417 2.293 3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.958 -0.667 3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.681 -0.101 2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.624 0.618 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.806 -0.641 1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.146 1.809 0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.916 2.693 -0.437 1.00 0.00 H new ATOM 1698 N LEU A 107 8.245 0.517 5.812 1.00 0.00 N ATOM 1699 CA LEU A 107 7.081 0.341 6.673 1.00 0.00 C ATOM 1700 C LEU A 107 6.811 1.595 7.501 1.00 0.00 C ATOM 1701 O LEU A 107 5.671 1.845 7.893 1.00 0.00 O ATOM 1702 CB LEU A 107 7.236 -0.897 7.574 1.00 0.00 C ATOM 1703 CG LEU A 107 6.880 -2.243 6.911 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.427 -2.248 6.443 1.00 0.00 C ATOM 1705 CD2 LEU A 107 7.822 -2.555 5.749 1.00 0.00 C ATOM 0 H LEU A 107 9.058 -0.038 6.080 1.00 0.00 H new ATOM 0 HA LEU A 107 6.217 0.176 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.267 -0.945 7.924 1.00 0.00 H new ATOM 0 HB3 LEU A 107 6.606 -0.767 8.454 1.00 0.00 H new ATOM 0 HG LEU A 107 7.003 -3.025 7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.198 -3.207 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.769 -2.092 7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.275 -1.448 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.545 -3.510 5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.747 -1.768 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.847 -2.610 6.116 1.00 0.00 H new ATOM 1717 N GLN A 108 7.850 2.392 7.754 1.00 0.00 N ATOM 1718 CA GLN A 108 7.672 3.666 8.452 1.00 0.00 C ATOM 1719 C GLN A 108 6.714 4.556 7.661 1.00 0.00 C ATOM 1720 O GLN A 108 5.718 5.051 8.192 1.00 0.00 O ATOM 1721 CB GLN A 108 9.019 4.381 8.648 1.00 0.00 C ATOM 1722 CG GLN A 108 8.900 5.739 9.341 1.00 0.00 C ATOM 1723 CD GLN A 108 8.268 5.649 10.722 1.00 0.00 C ATOM 1724 OE1 GLN A 108 8.426 4.652 11.428 1.00 0.00 O ATOM 1725 NE2 GLN A 108 7.534 6.683 11.111 1.00 0.00 N ATOM 0 H GLN A 108 8.813 2.182 7.490 1.00 0.00 H new ATOM 0 HA GLN A 108 7.251 3.465 9.437 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.678 3.741 9.234 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.491 4.520 7.676 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.891 6.183 9.430 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.305 6.407 8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.426 7.491 10.498 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.077 6.670 12.023 1.00 0.00 H new ATOM 1734 N ILE A 109 7.021 4.730 6.380 1.00 0.00 N ATOM 1735 CA ILE A 109 6.177 5.505 5.479 1.00 0.00 C ATOM 1736 C ILE A 109 4.811 4.843 5.315 1.00 0.00 C ATOM 1737 O ILE A 109 3.778 5.519 5.298 1.00 0.00 O ATOM 1738 CB ILE A 109 6.859 5.681 4.095 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.978 6.734 4.185 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.846 6.053 3.016 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.488 8.115 4.576 1.00 0.00 C ATOM 0 H ILE A 109 7.855 4.341 5.940 1.00 0.00 H new ATOM 0 HA ILE A 109 6.034 6.492 5.920 1.00 0.00 H new ATOM 0 HB ILE A 109 7.300 4.726 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.719 6.402 4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.483 6.797 3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.358 6.168 2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.097 5.266 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.359 6.991 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.333 8.802 4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.769 8.469 3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.009 8.068 5.554 1.00 0.00 H new ATOM 1753 N PHE A 110 4.815 3.516 5.211 1.00 0.00 N ATOM 1754 CA PHE A 110 3.580 2.746 5.104 1.00 0.00 C ATOM 1755 C PHE A 110 2.617 3.119 6.234 1.00 0.00 C ATOM 1756 O PHE A 110 1.465 3.471 5.984 1.00 0.00 O ATOM 1757 CB PHE A 110 3.895 1.239 5.122 1.00 0.00 C ATOM 1758 CG PHE A 110 2.678 0.348 5.058 1.00 0.00 C ATOM 1759 CD1 PHE A 110 2.028 -0.060 6.217 1.00 0.00 C ATOM 1760 CD2 PHE A 110 2.186 -0.082 3.838 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.913 -0.873 6.151 1.00 0.00 C ATOM 1762 CE2 PHE A 110 1.073 -0.894 3.769 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.437 -1.290 4.924 1.00 0.00 C ATOM 0 H PHE A 110 5.664 2.951 5.199 1.00 0.00 H new ATOM 0 HA PHE A 110 3.095 2.985 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.546 1.006 4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.453 1.007 6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.398 0.262 7.179 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.680 0.222 2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.414 -1.182 7.058 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.701 -1.219 2.809 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.434 -1.927 4.870 1.00 0.00 H new ATOM 1773 N ASN A 111 3.109 3.074 7.473 1.00 0.00 N ATOM 1774 CA ASN A 111 2.288 3.397 8.644 1.00 0.00 C ATOM 1775 C ASN A 111 1.949 4.887 8.691 1.00 0.00 C ATOM 1776 O ASN A 111 0.882 5.270 9.176 1.00 0.00 O ATOM 1777 CB ASN A 111 2.987 2.978 9.948 1.00 0.00 C ATOM 1778 CG ASN A 111 2.960 1.474 10.176 1.00 0.00 C ATOM 1779 OD1 ASN A 111 1.992 0.937 10.712 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.025 0.786 9.797 1.00 0.00 N ATOM 0 H ASN A 111 4.071 2.817 7.693 1.00 0.00 H new ATOM 0 HA ASN A 111 1.360 2.833 8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.022 3.319 9.925 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.506 3.477 10.789 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.061 -0.222 9.947 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.810 1.264 9.355 1.00 0.00 H new ATOM 1787 N LEU A 112 2.854 5.718 8.178 1.00 0.00 N ATOM 1788 CA LEU A 112 2.656 7.166 8.173 1.00 0.00 C ATOM 1789 C LEU A 112 1.376 7.530 7.420 1.00 0.00 C ATOM 1790 O LEU A 112 0.519 8.252 7.937 1.00 0.00 O ATOM 1791 CB LEU A 112 3.866 7.872 7.542 1.00 0.00 C ATOM 1792 CG LEU A 112 3.806 9.410 7.533 1.00 0.00 C ATOM 1793 CD1 LEU A 112 3.754 9.962 8.957 1.00 0.00 C ATOM 1794 CD2 LEU A 112 4.994 9.991 6.767 1.00 0.00 C ATOM 0 H LEU A 112 3.733 5.413 7.760 1.00 0.00 H new ATOM 0 HA LEU A 112 2.557 7.502 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.764 7.564 8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.972 7.524 6.515 1.00 0.00 H new ATOM 0 HG LEU A 112 2.891 9.711 7.023 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.712 11.051 8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.867 9.580 9.463 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.645 9.650 9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.933 11.079 6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.923 9.677 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.975 9.631 5.738 1.00 0.00 H new ATOM 1806 N MET A 113 1.244 7.009 6.202 1.00 0.00 N ATOM 1807 CA MET A 113 0.076 7.288 5.364 1.00 0.00 C ATOM 1808 C MET A 113 -1.077 6.329 5.676 1.00 0.00 C ATOM 1809 O MET A 113 -2.226 6.593 5.309 1.00 0.00 O ATOM 1810 CB MET A 113 0.447 7.209 3.874 1.00 0.00 C ATOM 1811 CG MET A 113 1.093 5.893 3.458 1.00 0.00 C ATOM 1812 SD MET A 113 1.461 5.827 1.692 1.00 0.00 S ATOM 1813 CE MET A 113 2.386 4.296 1.594 1.00 0.00 C ATOM 0 H MET A 113 1.931 6.390 5.771 1.00 0.00 H new ATOM 0 HA MET A 113 -0.258 8.301 5.589 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.453 7.363 3.279 1.00 0.00 H new ATOM 0 HB3 MET A 113 1.129 8.026 3.637 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.014 5.750 4.023 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.429 5.069 3.718 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.364 3.923 0.570 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.419 4.475 1.893 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.938 3.557 2.259 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.766 5.233 6.368 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.757 4.210 6.725 1.00 0.00 C ATOM 1825 C LYS A 114 -2.940 4.817 7.482 1.00 0.00 C ATOM 1826 O LYS A 114 -4.081 4.392 7.312 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.088 3.115 7.571 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.008 1.972 7.996 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.255 0.937 8.834 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.179 -0.126 9.420 1.00 0.00 C ATOM 1831 NZ LYS A 114 -2.767 -1.012 8.380 1.00 0.00 N ATOM 0 H LYS A 114 0.177 5.027 6.698 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.144 3.773 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.255 2.699 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.668 3.575 8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.845 2.370 8.571 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.428 1.492 7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.498 0.455 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.729 1.443 9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.622 -0.732 10.135 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.982 0.361 9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.862 -1.976 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.704 -0.653 8.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.146 -1.028 7.546 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.660 5.819 8.311 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.698 6.484 9.103 1.00 0.00 C ATOM 1847 C PHE A 115 -3.784 7.967 8.752 1.00 0.00 C ATOM 1848 O PHE A 115 -4.264 8.776 9.546 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.411 6.313 10.602 1.00 0.00 C ATOM 1850 CG PHE A 115 -3.485 4.882 11.073 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -4.712 4.296 11.350 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -2.334 4.126 11.241 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -4.790 2.988 11.783 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -2.407 2.816 11.674 1.00 0.00 C ATOM 1855 CZ PHE A 115 -3.636 2.247 11.945 1.00 0.00 C ATOM 0 H PHE A 115 -1.721 6.191 8.454 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.656 6.020 8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.419 6.707 10.820 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.124 6.911 11.170 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.618 4.871 11.225 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -1.370 4.566 11.031 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.752 2.545 11.995 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.504 2.237 11.800 1.00 0.00 H new ATOM 0 HZ PHE A 115 -3.694 1.223 12.283 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.350 8.312 7.546 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.314 9.709 7.108 1.00 0.00 C ATOM 1867 C ASP A 116 -3.893 9.837 5.705 1.00 0.00 C ATOM 1868 O ASP A 116 -5.078 10.127 5.538 1.00 0.00 O ATOM 1869 CB ASP A 116 -1.874 10.251 7.153 1.00 0.00 C ATOM 1870 CG ASP A 116 -1.771 11.706 6.710 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -1.966 12.607 7.555 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -1.489 11.956 5.518 1.00 0.00 O ATOM 0 H ASP A 116 -3.017 7.645 6.850 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.923 10.303 7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.488 10.158 8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.240 9.637 6.514 1.00 0.00 H new ATOM 1877 N SER A 117 -3.061 9.582 4.699 1.00 0.00 N ATOM 1878 CA SER A 117 -3.483 9.665 3.310 1.00 0.00 C ATOM 1879 C SER A 117 -4.599 8.654 3.034 1.00 0.00 C ATOM 1880 O SER A 117 -5.529 8.929 2.275 1.00 0.00 O ATOM 1881 CB SER A 117 -2.281 9.418 2.394 1.00 0.00 C ATOM 1882 OG SER A 117 -1.176 10.212 2.795 1.00 0.00 O ATOM 0 H SER A 117 -2.085 9.315 4.825 1.00 0.00 H new ATOM 0 HA SER A 117 -3.876 10.662 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.007 8.363 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.548 9.651 1.363 1.00 0.00 H new ATOM 0 HG SER A 117 -0.417 10.040 2.200 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.502 7.489 3.674 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.535 6.465 3.577 1.00 0.00 C ATOM 1890 C TYR A 118 -6.856 6.986 4.136 1.00 0.00 C ATOM 1891 O TYR A 118 -7.904 6.867 3.496 1.00 0.00 O ATOM 1892 CB TYR A 118 -5.106 5.201 4.334 1.00 0.00 C ATOM 1893 CG TYR A 118 -6.204 4.159 4.474 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.692 3.477 3.362 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.756 3.861 5.717 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.692 2.532 3.489 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -7.754 2.918 5.848 1.00 0.00 C ATOM 1898 CZ TYR A 118 -8.220 2.259 4.734 1.00 0.00 C ATOM 1899 OH TYR A 118 -9.219 1.321 4.865 1.00 0.00 O ATOM 0 H TYR A 118 -3.713 7.233 4.268 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.674 6.215 2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.257 4.752 3.818 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.761 5.485 5.328 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.283 3.690 2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.396 4.378 6.595 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.059 2.010 2.618 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -8.168 2.698 6.821 1.00 0.00 H new ATOM 0 HH TYR A 118 -9.178 0.693 4.114 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.787 7.579 5.327 1.00 0.00 N ATOM 1910 CA ALA A 119 -7.971 8.122 5.989 1.00 0.00 C ATOM 1911 C ALA A 119 -8.623 9.198 5.125 1.00 0.00 C ATOM 1912 O ALA A 119 -9.844 9.343 5.104 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.601 8.682 7.358 1.00 0.00 C ATOM 0 H ALA A 119 -5.921 7.695 5.854 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.691 7.316 6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.492 9.083 7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.181 7.887 7.975 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -6.864 9.476 7.239 1.00 0.00 H new ATOM 1919 N ARG A 120 -7.786 9.943 4.410 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.249 10.983 3.498 1.00 0.00 C ATOM 1921 C ARG A 120 -8.898 10.360 2.260 1.00 0.00 C ATOM 1922 O ARG A 120 -9.952 10.809 1.811 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.066 11.878 3.098 1.00 0.00 C ATOM 1924 CG ARG A 120 -7.409 13.002 2.123 1.00 0.00 C ATOM 1925 CD ARG A 120 -8.451 13.967 2.682 1.00 0.00 C ATOM 1926 NE ARG A 120 -8.568 15.165 1.846 1.00 0.00 N ATOM 1927 CZ ARG A 120 -9.715 15.775 1.538 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -10.874 15.318 1.999 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -9.694 16.853 0.768 1.00 0.00 N ATOM 0 H ARG A 120 -6.772 9.843 4.446 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.000 11.592 4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.641 12.317 4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.292 11.254 2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -6.502 13.555 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -7.780 12.571 1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.418 13.467 2.743 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.177 14.254 3.697 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.707 15.563 1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.895 14.491 2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.743 15.794 1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.806 17.211 0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -10.566 17.325 0.528 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.271 9.309 1.733 1.00 0.00 N ATOM 1944 CA PHE A 121 -8.733 8.650 0.509 1.00 0.00 C ATOM 1945 C PHE A 121 -10.143 8.079 0.674 1.00 0.00 C ATOM 1946 O PHE A 121 -11.048 8.406 -0.095 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.761 7.531 0.105 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.210 6.738 -1.100 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.049 7.244 -2.382 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.793 5.487 -0.951 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.458 6.523 -3.485 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -9.204 4.763 -2.052 1.00 0.00 C ATOM 1953 CZ PHE A 121 -9.036 5.281 -3.321 1.00 0.00 C ATOM 0 H PHE A 121 -7.433 8.891 2.138 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.764 9.404 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -6.785 7.968 -0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.633 6.852 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.597 8.216 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.927 5.075 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.326 6.931 -4.476 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.657 3.791 -1.921 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.356 4.715 -4.183 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.327 7.229 1.678 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.612 6.562 1.886 1.00 0.00 C ATOM 1965 C VAL A 122 -12.697 7.558 2.303 1.00 0.00 C ATOM 1966 O VAL A 122 -13.891 7.264 2.211 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.512 5.437 2.948 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.592 4.318 2.462 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.038 5.993 4.292 1.00 0.00 C ATOM 0 H VAL A 122 -9.608 6.985 2.359 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.887 6.115 0.930 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.508 5.018 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.535 3.538 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.988 3.897 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.595 4.720 2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.976 5.183 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.055 6.448 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.745 6.744 4.644 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.275 8.735 2.760 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.206 9.765 3.212 1.00 0.00 C ATOM 1981 C LYS A 123 -13.559 10.721 2.070 1.00 0.00 C ATOM 1982 O LYS A 123 -14.649 11.295 2.047 1.00 0.00 O ATOM 1983 CB LYS A 123 -12.603 10.532 4.396 1.00 0.00 C ATOM 1984 CG LYS A 123 -13.567 11.508 5.069 1.00 0.00 C ATOM 1985 CD LYS A 123 -12.994 12.064 6.373 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.713 10.954 7.383 1.00 0.00 C ATOM 1987 NZ LYS A 123 -12.176 11.482 8.664 1.00 0.00 N ATOM 0 H LYS A 123 -11.292 8.999 2.827 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.127 9.282 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.253 9.815 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -11.729 11.083 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.786 12.331 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -14.511 11.004 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -12.073 12.608 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -13.695 12.779 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -13.632 10.401 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -12.000 10.249 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -12.000 10.693 9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.285 11.988 8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -12.866 12.135 9.087 1.00 0.00 H new ATOM 2001 N SER A 124 -12.634 10.887 1.125 1.00 0.00 N ATOM 2002 CA SER A 124 -12.865 11.753 -0.029 1.00 0.00 C ATOM 2003 C SER A 124 -13.891 11.115 -0.973 1.00 0.00 C ATOM 2004 O SER A 124 -13.927 9.888 -1.118 1.00 0.00 O ATOM 2005 CB SER A 124 -11.544 12.025 -0.768 1.00 0.00 C ATOM 2006 OG SER A 124 -10.930 10.819 -1.195 1.00 0.00 O ATOM 0 H SER A 124 -11.720 10.434 1.136 1.00 0.00 H new ATOM 0 HA SER A 124 -13.263 12.705 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.733 12.664 -1.631 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.864 12.569 -0.112 1.00 0.00 H new ATOM 0 HG SER A 124 -11.263 10.073 -0.654 1.00 0.00 H new ATOM 2012 N PRO A 125 -14.742 11.938 -1.626 1.00 0.00 N ATOM 2013 CA PRO A 125 -15.782 11.446 -2.544 1.00 0.00 C ATOM 2014 C PRO A 125 -15.230 10.495 -3.609 1.00 0.00 C ATOM 2015 O PRO A 125 -15.954 9.633 -4.109 1.00 0.00 O ATOM 2016 CB PRO A 125 -16.328 12.730 -3.187 1.00 0.00 C ATOM 2017 CG PRO A 125 -16.058 13.797 -2.180 1.00 0.00 C ATOM 2018 CD PRO A 125 -14.764 13.413 -1.512 1.00 0.00 C ATOM 0 HA PRO A 125 -16.540 10.862 -2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.830 12.942 -4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -17.394 12.645 -3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -15.977 14.774 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -16.868 13.863 -1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.906 13.867 -2.008 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -14.738 13.736 -0.471 1.00 0.00 H new ATOM 2026 N LEU A 126 -13.942 10.651 -3.934 1.00 0.00 N ATOM 2027 CA LEU A 126 -13.263 9.808 -4.922 1.00 0.00 C ATOM 2028 C LEU A 126 -13.563 8.328 -4.665 1.00 0.00 C ATOM 2029 O LEU A 126 -13.871 7.573 -5.593 1.00 0.00 O ATOM 2030 CB LEU A 126 -11.742 10.080 -4.877 1.00 0.00 C ATOM 2031 CG LEU A 126 -10.901 9.540 -6.058 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -9.511 10.176 -6.058 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -10.776 8.018 -6.010 1.00 0.00 C ATOM 0 H LEU A 126 -13.342 11.364 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 126 -13.634 10.054 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.591 11.158 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.348 9.652 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 126 -11.419 9.808 -6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -8.932 9.785 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -9.606 11.257 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.003 9.939 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -10.179 7.675 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -10.292 7.722 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.768 7.570 -6.061 1.00 0.00 H new ATOM 2045 N TYR A 127 -13.487 7.925 -3.399 1.00 0.00 N ATOM 2046 CA TYR A 127 -13.760 6.542 -3.011 1.00 0.00 C ATOM 2047 C TYR A 127 -15.171 6.140 -3.443 1.00 0.00 C ATOM 2048 O TYR A 127 -15.369 5.100 -4.077 1.00 0.00 O ATOM 2049 CB TYR A 127 -13.587 6.379 -1.492 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.912 4.990 -0.964 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.304 3.856 -1.495 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -14.829 4.815 0.069 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.601 2.593 -1.013 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -15.127 3.556 0.556 1.00 0.00 C ATOM 2055 CZ TYR A 127 -14.512 2.449 0.011 1.00 0.00 C ATOM 2056 OH TYR A 127 -14.807 1.196 0.493 1.00 0.00 O ATOM 0 H TYR A 127 -13.238 8.537 -2.622 1.00 0.00 H new ATOM 0 HA TYR A 127 -13.050 5.885 -3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -12.558 6.622 -1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -14.225 7.104 -0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.588 3.963 -2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -15.316 5.678 0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -13.121 1.724 -1.438 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -15.839 3.440 1.360 1.00 0.00 H new ATOM 0 HH TYR A 127 -15.467 1.270 1.214 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.138 6.998 -3.134 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.540 6.742 -3.462 1.00 0.00 C ATOM 2068 C ARG A 128 -17.734 6.677 -4.978 1.00 0.00 C ATOM 2069 O ARG A 128 -18.519 5.872 -5.478 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.427 7.840 -2.853 1.00 0.00 C ATOM 2071 CG ARG A 128 -19.924 7.589 -3.010 1.00 0.00 C ATOM 2072 CD ARG A 128 -20.754 8.726 -2.419 1.00 0.00 C ATOM 2073 NE ARG A 128 -20.455 8.949 -0.999 1.00 0.00 N ATOM 2074 CZ ARG A 128 -21.382 9.126 -0.054 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -22.669 9.091 -0.370 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -21.019 9.344 1.204 1.00 0.00 N ATOM 0 H ARG A 128 -15.977 7.883 -2.654 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.830 5.779 -3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.194 7.934 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -18.178 8.793 -3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.165 7.475 -4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -20.189 6.652 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -20.562 9.642 -2.977 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.814 8.498 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 128 -19.475 8.970 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -22.953 8.929 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -23.376 9.226 0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -20.030 9.377 1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -21.729 9.479 1.924 1.00 0.00 H new ATOM 2090 N GLU A 129 -16.994 7.514 -5.704 1.00 0.00 N ATOM 2091 CA GLU A 129 -17.072 7.551 -7.165 1.00 0.00 C ATOM 2092 C GLU A 129 -16.638 6.211 -7.763 1.00 0.00 C ATOM 2093 O GLU A 129 -17.183 5.763 -8.776 1.00 0.00 O ATOM 2094 CB GLU A 129 -16.199 8.684 -7.724 1.00 0.00 C ATOM 2095 CG GLU A 129 -16.607 10.072 -7.234 1.00 0.00 C ATOM 2096 CD GLU A 129 -15.779 11.189 -7.856 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -16.169 11.698 -8.930 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -14.743 11.571 -7.276 1.00 0.00 O ATOM 0 H GLU A 129 -16.331 8.178 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.109 7.738 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -15.161 8.501 -7.447 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.247 8.664 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -17.660 10.237 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -16.506 10.113 -6.149 1.00 0.00 H new ATOM 2105 N CYS A 130 -15.663 5.570 -7.125 1.00 0.00 N ATOM 2106 CA CYS A 130 -15.173 4.268 -7.574 1.00 0.00 C ATOM 2107 C CYS A 130 -16.199 3.172 -7.275 1.00 0.00 C ATOM 2108 O CYS A 130 -16.312 2.194 -8.019 1.00 0.00 O ATOM 2109 CB CYS A 130 -13.835 3.946 -6.901 1.00 0.00 C ATOM 2110 SG CYS A 130 -12.547 5.177 -7.210 1.00 0.00 S ATOM 0 H CYS A 130 -15.195 5.931 -6.294 1.00 0.00 H new ATOM 0 HA CYS A 130 -15.022 4.309 -8.653 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -13.991 3.860 -5.826 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -13.487 2.974 -7.252 1.00 0.00 H new ATOM 0 HG CYS A 130 -11.884 4.852 -8.280 1.00 0.00 H new