USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 732 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 7 GLN : amide:sc= -0.233 X(o=1.1,f=1.4) USER MOD Set 1.2: A 26 TYR OH : rot -71:sc= 1.38 USER MOD Single : A 6 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.323) USER MOD Single : A 8 SER OG : rot 62:sc= 0.0106 USER MOD Single : A 12 LYS NZ :NH3+ -174:sc= 0.373 (180deg=0.342) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.022) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 30 SER OG : rot 180:sc= -0.113 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.403 K(o=-0.4,f=-2.8!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -4.48! C(o=-4.5!,f=-5.5!) USER MOD Single : A 40 SER OG : rot 64:sc= 0.155 USER MOD Single : A 42 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.8!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.58 F(o=-7.1!,f=-1.6) USER MOD Single : A 47 SER OG : rot 180:sc= -0.17 USER MOD Single : A 48 THR OG1 : rot 53:sc= 0.154 USER MOD Single : A 49 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.012) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 151:sc= -12.3! (180deg=-14.8!) USER MOD Single : A 58 THR OG1 : rot -63:sc= -2.76 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.607 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 98 THR OG1 : rot 70:sc= 0.22 USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -4.75! C(o=-4.8!,f=-6.1!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -7.73! C(o=-7.7!,f=-17!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -11.936 -11.935 12.272 1.00 0.00 N ATOM 38 CA ILE A 3 -11.674 -10.617 12.830 1.00 0.00 C ATOM 39 C ILE A 3 -11.591 -9.564 11.725 1.00 0.00 C ATOM 40 O ILE A 3 -10.905 -9.761 10.724 1.00 0.00 O ATOM 41 CB ILE A 3 -10.365 -10.594 13.641 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.278 -11.819 14.553 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.268 -9.313 14.455 1.00 0.00 C ATOM 44 CD1 ILE A 3 -11.405 -11.904 15.560 1.00 0.00 C ATOM 0 HA ILE A 3 -12.505 -10.385 13.496 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.526 -10.625 12.945 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.281 -12.720 13.939 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.327 -11.799 15.085 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.337 -9.312 15.022 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.285 -8.454 13.785 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.112 -9.254 15.142 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.279 -12.797 16.173 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.390 -11.021 16.199 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.359 -11.956 15.035 1.00 0.00 H new ATOM 56 N PRO A 4 -12.289 -8.426 11.888 1.00 0.00 N ATOM 57 CA PRO A 4 -12.280 -7.355 10.889 1.00 0.00 C ATOM 58 C PRO A 4 -10.876 -6.825 10.624 1.00 0.00 C ATOM 59 O PRO A 4 -10.166 -6.422 11.545 1.00 0.00 O ATOM 60 CB PRO A 4 -13.155 -6.261 11.513 1.00 0.00 C ATOM 61 CG PRO A 4 -13.983 -6.964 12.533 1.00 0.00 C ATOM 62 CD PRO A 4 -13.138 -8.094 13.045 1.00 0.00 C ATOM 0 HA PRO A 4 -12.644 -7.703 9.922 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.546 -5.481 11.969 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -13.780 -5.779 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.263 -6.289 13.342 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -14.909 -7.337 12.095 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.544 -7.794 13.908 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.746 -8.943 13.356 1.00 0.00 H new ATOM 70 N ILE A 5 -10.487 -6.826 9.355 1.00 0.00 N ATOM 71 CA ILE A 5 -9.168 -6.344 8.954 1.00 0.00 C ATOM 72 C ILE A 5 -9.214 -4.877 8.524 1.00 0.00 C ATOM 73 O ILE A 5 -8.188 -4.200 8.498 1.00 0.00 O ATOM 74 CB ILE A 5 -8.582 -7.193 7.809 1.00 0.00 C ATOM 75 CG1 ILE A 5 -8.662 -8.680 8.159 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.143 -6.786 7.532 1.00 0.00 C ATOM 77 CD1 ILE A 5 -7.824 -9.066 9.359 1.00 0.00 C ATOM 0 H ILE A 5 -11.067 -7.156 8.583 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.523 -6.435 9.828 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.169 -7.018 6.907 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.702 -8.944 8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.340 -9.265 7.298 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.743 -7.394 6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.111 -5.734 7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.543 -6.937 8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.930 -10.134 9.548 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.777 -8.834 9.162 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.161 -8.508 10.233 1.00 0.00 H new ATOM 89 N LYS A 6 -10.413 -4.391 8.205 1.00 0.00 N ATOM 90 CA LYS A 6 -10.610 -3.001 7.797 1.00 0.00 C ATOM 91 C LYS A 6 -12.062 -2.783 7.427 1.00 0.00 C ATOM 92 O LYS A 6 -12.527 -3.278 6.413 1.00 0.00 O ATOM 93 CB LYS A 6 -9.738 -2.636 6.586 1.00 0.00 C ATOM 94 CG LYS A 6 -8.844 -1.425 6.797 1.00 0.00 C ATOM 95 CD LYS A 6 -7.988 -1.550 8.050 1.00 0.00 C ATOM 96 CE LYS A 6 -7.566 -0.187 8.574 1.00 0.00 C ATOM 97 NZ LYS A 6 -6.492 -0.294 9.599 1.00 0.00 N ATOM 0 H LYS A 6 -11.269 -4.945 8.222 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.324 -2.367 8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.114 -3.493 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.387 -2.449 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.197 -1.298 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.461 -0.529 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.546 -2.081 8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.103 -2.146 7.829 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.216 0.428 7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.430 0.320 9.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.905 0.564 9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.920 -0.397 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.899 -1.124 9.396 1.00 0.00 H new ATOM 111 N GLN A 7 -12.770 -2.031 8.240 1.00 0.00 N ATOM 112 CA GLN A 7 -14.171 -1.751 7.970 1.00 0.00 C ATOM 113 C GLN A 7 -14.453 -0.260 8.110 1.00 0.00 C ATOM 114 O GLN A 7 -14.298 0.310 9.190 1.00 0.00 O ATOM 115 CB GLN A 7 -15.063 -2.555 8.922 1.00 0.00 C ATOM 116 CG GLN A 7 -16.532 -2.157 8.876 1.00 0.00 C ATOM 117 CD GLN A 7 -17.008 -1.530 10.175 1.00 0.00 C ATOM 118 OE1 GLN A 7 -17.523 -2.219 11.055 1.00 0.00 O ATOM 119 NE2 GLN A 7 -16.836 -0.219 10.299 1.00 0.00 N ATOM 0 H GLN A 7 -12.405 -1.602 9.091 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.395 -2.049 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -14.976 -3.614 8.678 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.695 -2.431 9.940 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -16.689 -1.453 8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -17.137 -3.038 8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -16.404 0.312 9.543 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -17.136 0.256 11.150 1.00 0.00 H new ATOM 128 N SER A 8 -14.863 0.365 7.015 1.00 0.00 N ATOM 129 CA SER A 8 -15.162 1.793 7.025 1.00 0.00 C ATOM 130 C SER A 8 -15.714 2.248 5.679 1.00 0.00 C ATOM 131 O SER A 8 -15.946 1.436 4.783 1.00 0.00 O ATOM 132 CB SER A 8 -13.905 2.593 7.374 1.00 0.00 C ATOM 133 OG SER A 8 -14.069 3.291 8.597 1.00 0.00 O ATOM 0 H SER A 8 -14.996 -0.090 6.112 1.00 0.00 H new ATOM 0 HA SER A 8 -15.923 1.974 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.050 1.920 7.447 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.686 3.300 6.574 1.00 0.00 H new ATOM 0 HG SER A 8 -14.216 2.649 9.323 1.00 0.00 H new ATOM 139 N PHE A 9 -15.924 3.554 5.548 1.00 0.00 N ATOM 140 CA PHE A 9 -16.451 4.122 4.315 1.00 0.00 C ATOM 141 C PHE A 9 -15.354 4.256 3.267 1.00 0.00 C ATOM 142 O PHE A 9 -14.265 4.755 3.552 1.00 0.00 O ATOM 143 CB PHE A 9 -17.087 5.491 4.579 1.00 0.00 C ATOM 144 CG PHE A 9 -17.811 5.586 5.896 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.418 4.472 6.454 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.884 6.793 6.571 1.00 0.00 C ATOM 147 CE1 PHE A 9 -19.083 4.561 7.663 1.00 0.00 C ATOM 148 CE2 PHE A 9 -18.547 6.888 7.780 1.00 0.00 C ATOM 149 CZ PHE A 9 -19.147 5.770 8.326 1.00 0.00 C ATOM 0 H PHE A 9 -15.737 4.238 6.281 1.00 0.00 H new ATOM 0 HA PHE A 9 -17.216 3.444 3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -16.309 6.254 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.787 5.716 3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.371 3.524 5.939 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -17.417 7.670 6.148 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.552 3.686 8.088 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -18.596 7.835 8.297 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.666 5.842 9.271 1.00 0.00 H new ATOM 159 N LEU A 10 -15.649 3.807 2.054 1.00 0.00 N ATOM 160 CA LEU A 10 -14.691 3.877 0.959 1.00 0.00 C ATOM 161 C LEU A 10 -15.305 4.569 -0.249 1.00 0.00 C ATOM 162 O LEU A 10 -16.507 4.469 -0.488 1.00 0.00 O ATOM 163 CB LEU A 10 -14.233 2.471 0.564 1.00 0.00 C ATOM 164 CG LEU A 10 -12.974 1.974 1.274 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.322 1.430 2.652 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.276 0.908 0.440 1.00 0.00 C ATOM 0 H LEU A 10 -16.545 3.390 1.804 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.831 4.455 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.045 1.772 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.056 2.452 -0.511 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.292 2.815 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.415 1.080 3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.779 2.219 3.250 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.022 0.601 2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.382 0.566 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.951 0.066 0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.995 1.328 -0.526 1.00 0.00 H new ATOM 178 N LEU A 11 -14.473 5.259 -1.018 1.00 0.00 N ATOM 179 CA LEU A 11 -14.946 5.950 -2.211 1.00 0.00 C ATOM 180 C LEU A 11 -14.920 5.001 -3.403 1.00 0.00 C ATOM 181 O LEU A 11 -13.912 4.343 -3.657 1.00 0.00 O ATOM 182 CB LEU A 11 -14.090 7.187 -2.498 1.00 0.00 C ATOM 183 CG LEU A 11 -14.864 8.504 -2.586 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.595 8.781 -1.283 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.925 9.649 -2.928 1.00 0.00 C ATOM 0 H LEU A 11 -13.473 5.355 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.971 6.279 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.336 7.278 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.558 7.032 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.605 8.418 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.140 9.722 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.296 7.972 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.874 8.849 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.491 10.579 -2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.162 9.737 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.448 9.454 -3.888 1.00 0.00 H new ATOM 197 N LYS A 12 -16.030 4.926 -4.128 1.00 0.00 N ATOM 198 CA LYS A 12 -16.121 4.046 -5.287 1.00 0.00 C ATOM 199 C LYS A 12 -16.226 4.847 -6.580 1.00 0.00 C ATOM 200 O LYS A 12 -17.226 5.521 -6.826 1.00 0.00 O ATOM 201 CB LYS A 12 -17.324 3.111 -5.154 1.00 0.00 C ATOM 202 CG LYS A 12 -17.123 1.762 -5.826 1.00 0.00 C ATOM 203 CD LYS A 12 -17.103 1.888 -7.343 1.00 0.00 C ATOM 204 CE LYS A 12 -15.723 1.597 -7.913 1.00 0.00 C ATOM 205 NZ LYS A 12 -15.776 1.294 -9.369 1.00 0.00 N ATOM 0 H LYS A 12 -16.876 5.462 -3.935 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.209 3.451 -5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.536 2.953 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.200 3.596 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.186 1.321 -5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.922 1.084 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.828 1.198 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.410 2.894 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.072 2.455 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.282 0.753 -7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.833 1.003 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.455 0.525 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.077 2.143 -9.889 1.00 0.00 H new ATOM 219 N ARG A 13 -15.184 4.765 -7.400 1.00 0.00 N ATOM 220 CA ARG A 13 -15.146 5.476 -8.673 1.00 0.00 C ATOM 221 C ARG A 13 -16.348 5.117 -9.539 1.00 0.00 C ATOM 222 O ARG A 13 -16.854 3.997 -9.483 1.00 0.00 O ATOM 223 CB ARG A 13 -13.851 5.145 -9.418 1.00 0.00 C ATOM 224 CG ARG A 13 -13.516 6.130 -10.526 1.00 0.00 C ATOM 225 CD ARG A 13 -12.289 5.693 -11.313 1.00 0.00 C ATOM 226 NE ARG A 13 -12.623 5.323 -12.687 1.00 0.00 N ATOM 227 CZ ARG A 13 -12.980 4.096 -13.064 1.00 0.00 C ATOM 228 NH1 ARG A 13 -13.052 3.111 -12.176 1.00 0.00 N ATOM 229 NH2 ARG A 13 -13.267 3.851 -14.334 1.00 0.00 N ATOM 0 H ARG A 13 -14.351 4.210 -7.205 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.182 6.545 -8.466 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -13.028 5.120 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -13.933 4.145 -9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -14.367 6.223 -11.200 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.341 7.116 -10.096 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.558 6.501 -11.323 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.821 4.845 -10.813 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.580 6.049 -13.402 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.833 3.291 -11.196 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.326 2.175 -12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.215 4.602 -15.023 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.540 2.912 -14.623 1.00 0.00 H new ATOM 319 N LYS A 20 -13.462 11.437 -13.561 1.00 0.00 N ATOM 320 CA LYS A 20 -13.705 10.555 -12.427 1.00 0.00 C ATOM 321 C LYS A 20 -14.822 11.094 -11.540 1.00 0.00 C ATOM 322 O LYS A 20 -15.192 12.266 -11.627 1.00 0.00 O ATOM 323 CB LYS A 20 -12.423 10.369 -11.613 1.00 0.00 C ATOM 324 CG LYS A 20 -11.805 8.991 -11.780 1.00 0.00 C ATOM 325 CD LYS A 20 -10.507 8.863 -11.003 1.00 0.00 C ATOM 326 CE LYS A 20 -9.403 8.259 -11.854 1.00 0.00 C ATOM 327 NZ LYS A 20 -8.397 7.537 -11.027 1.00 0.00 N ATOM 0 HA LYS A 20 -14.020 9.586 -12.815 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.697 11.125 -11.912 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.642 10.537 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.510 8.232 -11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.617 8.801 -12.837 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.197 9.846 -10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.669 8.242 -10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.838 7.571 -12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.908 9.048 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.661 7.140 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.963 8.199 -10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.864 6.768 -10.506 1.00 0.00 H new ATOM 341 N GLU A 21 -15.355 10.228 -10.687 1.00 0.00 N ATOM 342 CA GLU A 21 -16.433 10.599 -9.780 1.00 0.00 C ATOM 343 C GLU A 21 -16.722 9.453 -8.821 1.00 0.00 C ATOM 344 O GLU A 21 -17.371 8.472 -9.184 1.00 0.00 O ATOM 345 CB GLU A 21 -17.693 10.962 -10.564 1.00 0.00 C ATOM 346 CG GLU A 21 -18.599 11.944 -9.840 1.00 0.00 C ATOM 347 CD GLU A 21 -17.956 13.306 -9.660 1.00 0.00 C ATOM 348 OE1 GLU A 21 -17.159 13.465 -8.711 1.00 0.00 O ATOM 349 OE2 GLU A 21 -18.250 14.213 -10.466 1.00 0.00 O ATOM 0 H GLU A 21 -15.055 9.257 -10.605 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.122 11.472 -9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.403 11.388 -11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.254 10.052 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.528 12.056 -10.399 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.862 11.538 -8.863 1.00 0.00 H new ATOM 356 N TRP A 22 -16.223 9.580 -7.600 1.00 0.00 N ATOM 357 CA TRP A 22 -16.410 8.551 -6.586 1.00 0.00 C ATOM 358 C TRP A 22 -17.526 8.925 -5.618 1.00 0.00 C ATOM 359 O TRP A 22 -17.757 10.102 -5.343 1.00 0.00 O ATOM 360 CB TRP A 22 -15.104 8.326 -5.817 1.00 0.00 C ATOM 361 CG TRP A 22 -13.893 8.230 -6.699 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.461 9.154 -7.609 1.00 0.00 C ATOM 363 CD2 TRP A 22 -12.958 7.148 -6.754 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.317 8.713 -8.224 1.00 0.00 N ATOM 365 CE2 TRP A 22 -11.987 7.485 -7.717 1.00 0.00 C ATOM 366 CE3 TRP A 22 -12.843 5.926 -6.084 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -10.922 6.647 -8.021 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.781 5.097 -6.392 1.00 0.00 C ATOM 369 CH2 TRP A 22 -10.840 5.460 -7.347 1.00 0.00 C ATOM 0 H TRP A 22 -15.684 10.387 -7.286 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.695 7.628 -7.092 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -14.964 9.144 -5.110 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -15.190 7.410 -5.232 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -13.950 10.095 -7.814 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.797 9.218 -8.942 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.570 5.636 -5.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.186 6.923 -8.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.681 4.151 -5.881 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.023 4.788 -7.563 1.00 0.00 H new ATOM 380 N LYS A 23 -18.215 7.910 -5.105 1.00 0.00 N ATOM 381 CA LYS A 23 -19.309 8.126 -4.164 1.00 0.00 C ATOM 382 C LYS A 23 -19.008 7.461 -2.824 1.00 0.00 C ATOM 383 O LYS A 23 -18.254 6.489 -2.759 1.00 0.00 O ATOM 384 CB LYS A 23 -20.618 7.581 -4.740 1.00 0.00 C ATOM 385 CG LYS A 23 -21.654 8.659 -5.020 1.00 0.00 C ATOM 386 CD LYS A 23 -21.875 8.850 -6.512 1.00 0.00 C ATOM 387 CE LYS A 23 -22.850 9.983 -6.790 1.00 0.00 C ATOM 388 NZ LYS A 23 -22.146 11.249 -7.134 1.00 0.00 N ATOM 0 H LYS A 23 -18.035 6.930 -5.325 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.414 9.199 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.403 7.046 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.039 6.857 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -22.597 8.391 -4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.329 9.600 -4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.922 9.061 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.256 7.926 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.511 9.701 -7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.479 10.144 -5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.846 11.997 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.535 11.533 -6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.565 11.103 -7.984 1.00 0.00 H new ATOM 402 N LYS A 24 -19.602 7.987 -1.758 1.00 0.00 N ATOM 403 CA LYS A 24 -19.395 7.440 -0.421 1.00 0.00 C ATOM 404 C LYS A 24 -19.915 6.009 -0.338 1.00 0.00 C ATOM 405 O LYS A 24 -21.112 5.764 -0.486 1.00 0.00 O ATOM 406 CB LYS A 24 -20.092 8.313 0.623 1.00 0.00 C ATOM 407 CG LYS A 24 -19.224 9.446 1.148 1.00 0.00 C ATOM 408 CD LYS A 24 -18.598 9.098 2.491 1.00 0.00 C ATOM 409 CE LYS A 24 -19.136 9.983 3.605 1.00 0.00 C ATOM 410 NZ LYS A 24 -18.102 10.265 4.637 1.00 0.00 N ATOM 0 H LYS A 24 -20.230 8.790 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.324 7.432 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.998 8.733 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.402 7.687 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.438 9.667 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.826 10.349 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.799 8.053 2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.515 9.209 2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -19.493 10.922 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -19.993 9.498 4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.508 10.871 5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.779 9.371 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.295 10.751 4.196 1.00 0.00 H new ATOM 424 N LYS A 25 -19.008 5.067 -0.101 1.00 0.00 N ATOM 425 CA LYS A 25 -19.377 3.660 0.000 1.00 0.00 C ATOM 426 C LYS A 25 -19.062 3.108 1.388 1.00 0.00 C ATOM 427 O LYS A 25 -18.662 3.847 2.287 1.00 0.00 O ATOM 428 CB LYS A 25 -18.654 2.842 -1.073 1.00 0.00 C ATOM 429 CG LYS A 25 -19.595 2.045 -1.963 1.00 0.00 C ATOM 430 CD LYS A 25 -19.841 2.750 -3.290 1.00 0.00 C ATOM 431 CE LYS A 25 -21.327 2.893 -3.581 1.00 0.00 C ATOM 432 NZ LYS A 25 -21.585 3.845 -4.696 1.00 0.00 N ATOM 0 H LYS A 25 -18.013 5.252 0.025 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.452 3.580 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -18.062 3.514 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.957 2.158 -0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.173 1.057 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.544 1.895 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.377 3.736 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.364 2.190 -4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.743 1.918 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.841 3.237 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.607 4.019 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.095 4.742 -4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.233 3.440 -5.587 1.00 0.00 H new ATOM 446 N TYR A 26 -19.250 1.803 1.550 1.00 0.00 N ATOM 447 CA TYR A 26 -18.998 1.140 2.824 1.00 0.00 C ATOM 448 C TYR A 26 -18.416 -0.252 2.592 1.00 0.00 C ATOM 449 O TYR A 26 -19.077 -1.119 2.027 1.00 0.00 O ATOM 450 CB TYR A 26 -20.304 1.045 3.618 1.00 0.00 C ATOM 451 CG TYR A 26 -20.146 0.486 5.012 1.00 0.00 C ATOM 452 CD1 TYR A 26 -20.199 -0.882 5.245 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.956 1.330 6.098 1.00 0.00 C ATOM 454 CE1 TYR A 26 -20.066 -1.394 6.522 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.822 0.826 7.378 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.876 -0.536 7.585 1.00 0.00 C ATOM 457 OH TYR A 26 -19.742 -1.040 8.857 1.00 0.00 O ATOM 0 H TYR A 26 -19.578 1.181 0.811 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.274 1.723 3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.747 2.039 3.686 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -21.006 0.420 3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.347 -1.557 4.415 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.912 2.397 5.940 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -20.111 -2.460 6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.676 1.496 8.212 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.606 -1.385 9.165 1.00 0.00 H new ATOM 467 N VAL A 27 -17.172 -0.460 3.019 1.00 0.00 N ATOM 468 CA VAL A 27 -16.516 -1.752 2.833 1.00 0.00 C ATOM 469 C VAL A 27 -16.052 -2.346 4.149 1.00 0.00 C ATOM 470 O VAL A 27 -15.722 -1.627 5.091 1.00 0.00 O ATOM 471 CB VAL A 27 -15.277 -1.656 1.917 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.955 -3.016 1.318 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.477 -0.622 0.818 1.00 0.00 C ATOM 0 H VAL A 27 -16.603 0.242 3.492 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.272 -2.388 2.372 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.434 -1.332 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.079 -2.932 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.750 -3.727 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.804 -3.365 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.586 -0.580 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.337 -0.901 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.652 0.356 1.266 1.00 0.00 H new ATOM 483 N THR A 28 -15.976 -3.669 4.181 1.00 0.00 N ATOM 484 CA THR A 28 -15.489 -4.374 5.352 1.00 0.00 C ATOM 485 C THR A 28 -14.584 -5.518 4.937 1.00 0.00 C ATOM 486 O THR A 28 -14.980 -6.401 4.174 1.00 0.00 O ATOM 487 CB THR A 28 -16.621 -4.919 6.220 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.489 -3.882 6.647 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.101 -5.636 7.457 1.00 0.00 C ATOM 0 H THR A 28 -16.247 -4.275 3.406 1.00 0.00 H new ATOM 0 HA THR A 28 -14.932 -3.649 5.946 1.00 0.00 H new ATOM 0 HB THR A 28 -17.162 -5.628 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.204 -4.261 7.199 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.942 -6.006 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.473 -6.474 7.155 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.515 -4.942 8.060 1.00 0.00 H new ATOM 497 N LEU A 29 -13.380 -5.510 5.471 1.00 0.00 N ATOM 498 CA LEU A 29 -12.414 -6.549 5.204 1.00 0.00 C ATOM 499 C LEU A 29 -12.321 -7.433 6.428 1.00 0.00 C ATOM 500 O LEU A 29 -11.906 -6.977 7.489 1.00 0.00 O ATOM 501 CB LEU A 29 -11.049 -5.950 4.875 1.00 0.00 C ATOM 502 CG LEU A 29 -10.390 -6.528 3.627 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.182 -8.024 3.785 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.229 -6.235 2.394 1.00 0.00 C ATOM 0 H LEU A 29 -13.046 -4.782 6.102 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.732 -7.134 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.160 -4.873 4.747 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.385 -6.103 5.725 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.417 -6.053 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.711 -8.423 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.541 -8.213 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.145 -8.511 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.742 -6.655 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.216 -6.682 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.331 -5.157 2.271 1.00 0.00 H new ATOM 516 N SER A 30 -12.736 -8.680 6.290 1.00 0.00 N ATOM 517 CA SER A 30 -12.719 -9.606 7.413 1.00 0.00 C ATOM 518 C SER A 30 -11.599 -10.619 7.271 1.00 0.00 C ATOM 519 O SER A 30 -11.091 -10.855 6.174 1.00 0.00 O ATOM 520 CB SER A 30 -14.062 -10.330 7.523 1.00 0.00 C ATOM 521 OG SER A 30 -14.004 -11.369 8.485 1.00 0.00 O ATOM 0 H SER A 30 -13.087 -9.075 5.418 1.00 0.00 H new ATOM 0 HA SER A 30 -12.546 -9.028 8.321 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.841 -9.619 7.798 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.336 -10.744 6.553 1.00 0.00 H new ATOM 0 HG SER A 30 -14.875 -11.815 8.538 1.00 0.00 H new ATOM 527 N SER A 31 -11.220 -11.222 8.391 1.00 0.00 N ATOM 528 CA SER A 31 -10.160 -12.220 8.390 1.00 0.00 C ATOM 529 C SER A 31 -10.649 -13.548 7.800 1.00 0.00 C ATOM 530 O SER A 31 -9.907 -14.529 7.763 1.00 0.00 O ATOM 531 CB SER A 31 -9.634 -12.448 9.808 1.00 0.00 C ATOM 532 OG SER A 31 -8.274 -12.850 9.790 1.00 0.00 O ATOM 0 H SER A 31 -11.629 -11.038 9.307 1.00 0.00 H new ATOM 0 HA SER A 31 -9.351 -11.841 7.765 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.738 -11.532 10.389 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.235 -13.210 10.304 1.00 0.00 H new ATOM 0 HG SER A 31 -7.961 -12.988 10.709 1.00 0.00 H new ATOM 538 N ASN A 32 -11.905 -13.574 7.342 1.00 0.00 N ATOM 539 CA ASN A 32 -12.489 -14.778 6.760 1.00 0.00 C ATOM 540 C ASN A 32 -12.252 -14.838 5.257 1.00 0.00 C ATOM 541 O ASN A 32 -13.022 -15.456 4.523 1.00 0.00 O ATOM 542 CB ASN A 32 -13.990 -14.838 7.059 1.00 0.00 C ATOM 543 CG ASN A 32 -14.410 -16.176 7.633 1.00 0.00 C ATOM 544 OD1 ASN A 32 -13.576 -16.970 8.069 1.00 0.00 O ATOM 545 ND2 ASN A 32 -15.713 -16.435 7.636 1.00 0.00 N ATOM 0 H ASN A 32 -12.534 -12.772 7.365 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.999 -15.640 7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.250 -14.046 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.548 -14.647 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.056 -17.320 8.009 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.370 -15.749 7.265 1.00 0.00 H new ATOM 552 N GLY A 33 -11.187 -14.188 4.805 1.00 0.00 N ATOM 553 CA GLY A 33 -10.877 -14.177 3.392 1.00 0.00 C ATOM 554 C GLY A 33 -12.057 -13.730 2.562 1.00 0.00 C ATOM 555 O GLY A 33 -12.331 -14.287 1.498 1.00 0.00 O ATOM 0 H GLY A 33 -10.534 -13.669 5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.032 -13.512 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.570 -15.175 3.079 1.00 0.00 H new ATOM 559 N PHE A 34 -12.769 -12.724 3.056 1.00 0.00 N ATOM 560 CA PHE A 34 -13.934 -12.208 2.356 1.00 0.00 C ATOM 561 C PHE A 34 -13.979 -10.687 2.389 1.00 0.00 C ATOM 562 O PHE A 34 -13.816 -10.070 3.443 1.00 0.00 O ATOM 563 CB PHE A 34 -15.212 -12.777 2.968 1.00 0.00 C ATOM 564 CG PHE A 34 -16.084 -13.469 1.966 1.00 0.00 C ATOM 565 CD1 PHE A 34 -16.708 -12.747 0.962 1.00 0.00 C ATOM 566 CD2 PHE A 34 -16.270 -14.836 2.021 1.00 0.00 C ATOM 567 CE1 PHE A 34 -17.506 -13.383 0.030 1.00 0.00 C ATOM 568 CE2 PHE A 34 -17.068 -15.480 1.094 1.00 0.00 C ATOM 569 CZ PHE A 34 -17.687 -14.751 0.096 1.00 0.00 C ATOM 0 H PHE A 34 -12.559 -12.252 3.936 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.859 -12.521 1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -14.948 -13.480 3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -15.775 -11.969 3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.570 -11.677 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -15.786 -15.409 2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.988 -12.811 -0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -17.207 -16.550 1.149 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.311 -15.250 -0.631 1.00 0.00 H new ATOM 579 N LEU A 35 -14.217 -10.092 1.228 1.00 0.00 N ATOM 580 CA LEU A 35 -14.306 -8.644 1.113 1.00 0.00 C ATOM 581 C LEU A 35 -15.712 -8.246 0.684 1.00 0.00 C ATOM 582 O LEU A 35 -16.162 -8.607 -0.401 1.00 0.00 O ATOM 583 CB LEU A 35 -13.271 -8.129 0.105 1.00 0.00 C ATOM 584 CG LEU A 35 -13.574 -6.760 -0.511 1.00 0.00 C ATOM 585 CD1 LEU A 35 -14.007 -5.767 0.559 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.360 -6.239 -1.266 1.00 0.00 C ATOM 0 H LEU A 35 -14.352 -10.593 0.350 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.095 -8.195 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.301 -8.078 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.180 -8.858 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.397 -6.877 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.217 -4.802 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.906 -6.135 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.209 -5.652 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.591 -5.265 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.519 -6.141 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.100 -6.937 -2.062 1.00 0.00 H new ATOM 598 N LEU A 36 -16.407 -7.507 1.542 1.00 0.00 N ATOM 599 CA LEU A 36 -17.768 -7.077 1.242 1.00 0.00 C ATOM 600 C LEU A 36 -17.870 -5.557 1.206 1.00 0.00 C ATOM 601 O LEU A 36 -17.126 -4.858 1.895 1.00 0.00 O ATOM 602 CB LEU A 36 -18.751 -7.637 2.279 1.00 0.00 C ATOM 603 CG LEU A 36 -18.259 -8.860 3.056 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.470 -8.430 4.283 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.432 -9.743 3.457 1.00 0.00 C ATOM 0 H LEU A 36 -16.053 -7.195 2.446 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.027 -7.465 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.990 -6.847 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.679 -7.900 1.771 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.599 -9.438 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.128 -9.313 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.609 -7.838 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.107 -7.831 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.064 -10.608 4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.116 -9.175 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -19.957 -10.079 2.563 1.00 0.00 H new ATOM 617 N TYR A 37 -18.800 -5.050 0.402 1.00 0.00 N ATOM 618 CA TYR A 37 -18.999 -3.612 0.289 1.00 0.00 C ATOM 619 C TYR A 37 -20.429 -3.281 -0.135 1.00 0.00 C ATOM 620 O TYR A 37 -21.002 -3.927 -1.017 1.00 0.00 O ATOM 621 CB TYR A 37 -17.975 -3.002 -0.683 1.00 0.00 C ATOM 622 CG TYR A 37 -18.459 -2.839 -2.111 1.00 0.00 C ATOM 623 CD1 TYR A 37 -18.821 -3.939 -2.878 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.541 -1.578 -2.691 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.253 -3.786 -4.183 1.00 0.00 C ATOM 626 CE2 TYR A 37 -18.972 -1.419 -3.994 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.326 -2.524 -4.735 1.00 0.00 C ATOM 628 OH TYR A 37 -19.754 -2.371 -6.034 1.00 0.00 O ATOM 0 H TYR A 37 -19.424 -5.612 -0.177 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.841 -3.169 1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.675 -2.025 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.084 -3.629 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.764 -4.929 -2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.263 -0.709 -2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.532 -4.651 -4.767 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.031 -0.432 -4.429 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.749 -1.420 -6.270 1.00 0.00 H new ATOM 638 N HIS A 38 -20.999 -2.269 0.514 1.00 0.00 N ATOM 639 CA HIS A 38 -22.358 -1.829 0.232 1.00 0.00 C ATOM 640 C HIS A 38 -22.363 -0.371 -0.220 1.00 0.00 C ATOM 641 O HIS A 38 -21.396 0.358 0.003 1.00 0.00 O ATOM 642 CB HIS A 38 -23.237 -1.984 1.477 1.00 0.00 C ATOM 643 CG HIS A 38 -23.044 -3.276 2.212 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.810 -3.737 2.624 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.942 -4.207 2.618 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.957 -4.893 3.246 1.00 0.00 C ATOM 647 NE2 HIS A 38 -23.241 -5.199 3.257 1.00 0.00 N ATOM 0 H HIS A 38 -20.532 -1.734 1.247 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.759 -2.451 -0.568 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -23.031 -1.158 2.158 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.283 -1.900 1.182 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -25.011 -4.174 2.467 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -21.162 -5.487 3.673 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -23.647 -6.037 3.673 1.00 0.00 H new ATOM 656 N PRO A 39 -23.452 0.078 -0.864 1.00 0.00 N ATOM 657 CA PRO A 39 -23.573 1.458 -1.348 1.00 0.00 C ATOM 658 C PRO A 39 -23.193 2.493 -0.288 1.00 0.00 C ATOM 659 O PRO A 39 -22.637 3.542 -0.611 1.00 0.00 O ATOM 660 CB PRO A 39 -25.052 1.576 -1.708 1.00 0.00 C ATOM 661 CG PRO A 39 -25.461 0.188 -2.063 1.00 0.00 C ATOM 662 CD PRO A 39 -24.652 -0.723 -1.179 1.00 0.00 C ATOM 0 HA PRO A 39 -22.898 1.655 -2.181 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.635 1.960 -0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.204 2.260 -2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.529 0.042 -1.900 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.268 -0.018 -3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.199 -0.997 -0.277 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.393 -1.651 -1.689 1.00 0.00 H new ATOM 670 N SER A 40 -23.497 2.196 0.973 1.00 0.00 N ATOM 671 CA SER A 40 -23.183 3.115 2.067 1.00 0.00 C ATOM 672 C SER A 40 -23.462 2.476 3.426 1.00 0.00 C ATOM 673 O SER A 40 -23.677 1.268 3.524 1.00 0.00 O ATOM 674 CB SER A 40 -23.991 4.406 1.917 1.00 0.00 C ATOM 675 OG SER A 40 -23.142 5.542 1.922 1.00 0.00 O ATOM 0 H SER A 40 -23.957 1.333 1.263 1.00 0.00 H new ATOM 0 HA SER A 40 -22.119 3.348 2.017 1.00 0.00 H new ATOM 0 HB2 SER A 40 -24.560 4.377 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 40 -24.713 4.484 2.730 1.00 0.00 H new ATOM 0 HG SER A 40 -22.554 5.514 1.139 1.00 0.00 H new ATOM 681 N ILE A 41 -23.455 3.298 4.475 1.00 0.00 N ATOM 682 CA ILE A 41 -23.705 2.816 5.830 1.00 0.00 C ATOM 683 C ILE A 41 -25.133 2.295 5.968 1.00 0.00 C ATOM 684 O ILE A 41 -25.354 1.206 6.499 1.00 0.00 O ATOM 685 CB ILE A 41 -23.449 3.922 6.877 1.00 0.00 C ATOM 686 CG1 ILE A 41 -21.959 4.264 6.919 1.00 0.00 C ATOM 687 CG2 ILE A 41 -23.933 3.490 8.256 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.529 5.228 5.835 1.00 0.00 C ATOM 0 H ILE A 41 -23.279 4.301 4.411 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.010 1.997 6.016 1.00 0.00 H new ATOM 0 HB ILE A 41 -24.011 4.810 6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.721 4.694 7.892 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.381 3.345 6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.741 4.286 8.975 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -25.003 3.285 8.218 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.402 2.589 8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.461 5.425 5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -21.736 4.792 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -22.080 6.162 5.939 1.00 0.00 H new ATOM 700 N ASN A 42 -26.100 3.066 5.479 1.00 0.00 N ATOM 701 CA ASN A 42 -27.501 2.660 5.540 1.00 0.00 C ATOM 702 C ASN A 42 -27.662 1.250 4.968 1.00 0.00 C ATOM 703 O ASN A 42 -28.572 0.511 5.335 1.00 0.00 O ATOM 704 CB ASN A 42 -28.375 3.644 4.761 1.00 0.00 C ATOM 705 CG ASN A 42 -28.012 3.700 3.289 1.00 0.00 C ATOM 706 OD1 ASN A 42 -26.853 3.912 2.931 1.00 0.00 O ATOM 707 ND2 ASN A 42 -29.005 3.511 2.428 1.00 0.00 N ATOM 0 H ASN A 42 -25.941 3.972 5.038 1.00 0.00 H new ATOM 0 HA ASN A 42 -27.820 2.660 6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -29.421 3.356 4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -28.274 4.639 5.196 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -28.822 3.538 1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -29.950 3.338 2.770 1.00 0.00 H new ATOM 714 N ASP A 43 -26.762 0.886 4.065 1.00 0.00 N ATOM 715 CA ASP A 43 -26.792 -0.431 3.448 1.00 0.00 C ATOM 716 C ASP A 43 -26.251 -1.489 4.406 1.00 0.00 C ATOM 717 O ASP A 43 -26.812 -2.575 4.528 1.00 0.00 O ATOM 718 CB ASP A 43 -25.982 -0.422 2.155 1.00 0.00 C ATOM 719 CG ASP A 43 -26.542 0.549 1.136 1.00 0.00 C ATOM 720 OD1 ASP A 43 -26.260 1.760 1.253 1.00 0.00 O ATOM 721 OD2 ASP A 43 -27.263 0.100 0.221 1.00 0.00 O ATOM 0 H ASP A 43 -26.002 1.485 3.744 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.827 -0.680 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -24.948 -0.157 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.969 -1.425 1.729 1.00 0.00 H new ATOM 726 N TYR A 44 -25.159 -1.160 5.090 1.00 0.00 N ATOM 727 CA TYR A 44 -24.545 -2.079 6.045 1.00 0.00 C ATOM 728 C TYR A 44 -25.465 -2.274 7.249 1.00 0.00 C ATOM 729 O TYR A 44 -25.768 -3.399 7.645 1.00 0.00 O ATOM 730 CB TYR A 44 -23.179 -1.536 6.492 1.00 0.00 C ATOM 731 CG TYR A 44 -22.841 -1.803 7.946 1.00 0.00 C ATOM 732 CD1 TYR A 44 -22.349 -3.037 8.349 1.00 0.00 C ATOM 733 CD2 TYR A 44 -23.014 -0.818 8.911 1.00 0.00 C ATOM 734 CE1 TYR A 44 -22.041 -3.285 9.674 1.00 0.00 C ATOM 735 CE2 TYR A 44 -22.706 -1.058 10.237 1.00 0.00 C ATOM 736 CZ TYR A 44 -22.220 -2.293 10.613 1.00 0.00 C ATOM 737 OH TYR A 44 -21.914 -2.535 11.933 1.00 0.00 O ATOM 0 H TYR A 44 -24.680 -0.264 5.001 1.00 0.00 H new ATOM 0 HA TYR A 44 -24.394 -3.046 5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -22.404 -1.977 5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -23.155 -0.460 6.318 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -22.204 -3.816 7.615 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -23.395 0.150 8.620 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -21.662 -4.252 9.971 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.845 -0.282 10.975 1.00 0.00 H new ATOM 0 HH TYR A 44 -22.097 -1.732 12.464 1.00 0.00 H new ATOM 747 N ILE A 45 -25.899 -1.158 7.817 1.00 0.00 N ATOM 748 CA ILE A 45 -26.784 -1.159 8.975 1.00 0.00 C ATOM 749 C ILE A 45 -28.089 -1.888 8.675 1.00 0.00 C ATOM 750 O ILE A 45 -28.425 -2.890 9.307 1.00 0.00 O ATOM 751 CB ILE A 45 -27.100 0.297 9.399 1.00 0.00 C ATOM 752 CG1 ILE A 45 -25.933 0.878 10.195 1.00 0.00 C ATOM 753 CG2 ILE A 45 -28.401 0.390 10.197 1.00 0.00 C ATOM 754 CD1 ILE A 45 -26.011 2.380 10.365 1.00 0.00 C ATOM 0 H ILE A 45 -25.648 -0.226 7.489 1.00 0.00 H new ATOM 0 HA ILE A 45 -26.273 -1.681 9.784 1.00 0.00 H new ATOM 0 HB ILE A 45 -27.238 0.885 8.492 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.905 0.409 11.179 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -24.999 0.624 9.694 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.584 1.428 10.474 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -29.228 0.025 9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.319 -0.217 11.099 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -25.152 2.726 10.939 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -26.009 2.858 9.385 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.929 2.639 10.893 1.00 0.00 H new ATOM 766 N HIS A 46 -28.825 -1.342 7.725 1.00 0.00 N ATOM 767 CA HIS A 46 -30.118 -1.876 7.324 1.00 0.00 C ATOM 768 C HIS A 46 -29.989 -3.167 6.517 1.00 0.00 C ATOM 769 O HIS A 46 -30.912 -3.979 6.487 1.00 0.00 O ATOM 770 CB HIS A 46 -30.870 -0.796 6.547 1.00 0.00 C ATOM 771 CG HIS A 46 -30.847 0.524 7.261 1.00 0.00 C ATOM 772 ND1 HIS A 46 -29.827 1.387 7.495 1.00 0.00 N flip ATOM 773 CD2 HIS A 46 -31.948 1.069 7.885 1.00 0.00 C flip ATOM 774 CE1 HIS A 46 -30.323 2.417 8.244 1.00 0.00 C flip ATOM 775 NE2 HIS A 46 -31.599 2.205 8.469 1.00 0.00 N flip ATOM 0 H HIS A 46 -28.543 -0.511 7.205 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.682 -2.144 8.217 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.424 -0.682 5.559 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.903 -1.110 6.396 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -32.938 0.638 7.896 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -29.757 3.268 8.594 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -32.218 2.814 9.004 1.00 0.00 H new ATOM 784 N SER A 47 -28.839 -3.356 5.874 1.00 0.00 N ATOM 785 CA SER A 47 -28.588 -4.557 5.075 1.00 0.00 C ATOM 786 C SER A 47 -29.284 -4.479 3.720 1.00 0.00 C ATOM 787 O SER A 47 -30.288 -5.150 3.483 1.00 0.00 O ATOM 788 CB SER A 47 -29.043 -5.813 5.824 1.00 0.00 C ATOM 789 OG SER A 47 -28.757 -5.712 7.208 1.00 0.00 O ATOM 0 H SER A 47 -28.064 -2.693 5.890 1.00 0.00 H new ATOM 0 HA SER A 47 -27.513 -4.617 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.114 -5.958 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 47 -28.544 -6.689 5.409 1.00 0.00 H new ATOM 0 HG SER A 47 -29.058 -6.525 7.665 1.00 0.00 H new ATOM 795 N THR A 48 -28.728 -3.668 2.829 1.00 0.00 N ATOM 796 CA THR A 48 -29.272 -3.504 1.487 1.00 0.00 C ATOM 797 C THR A 48 -28.144 -3.321 0.484 1.00 0.00 C ATOM 798 O THR A 48 -27.385 -2.359 0.562 1.00 0.00 O ATOM 799 CB THR A 48 -30.225 -2.311 1.429 1.00 0.00 C ATOM 800 OG1 THR A 48 -29.532 -1.103 1.698 1.00 0.00 O ATOM 801 CG2 THR A 48 -31.371 -2.413 2.411 1.00 0.00 C ATOM 0 H THR A 48 -27.894 -3.110 3.014 1.00 0.00 H new ATOM 0 HA THR A 48 -29.833 -4.403 1.232 1.00 0.00 H new ATOM 0 HB THR A 48 -30.634 -2.315 0.419 1.00 0.00 H new ATOM 0 HG1 THR A 48 -28.758 -1.030 1.101 1.00 0.00 H new ATOM 0 HG21 THR A 48 -32.009 -1.534 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 48 -31.954 -3.309 2.198 1.00 0.00 H new ATOM 0 HG23 THR A 48 -30.977 -2.469 3.426 1.00 0.00 H new ATOM 809 N HIS A 49 -28.024 -4.259 -0.445 1.00 0.00 N ATOM 810 CA HIS A 49 -26.966 -4.204 -1.445 1.00 0.00 C ATOM 811 C HIS A 49 -25.606 -4.328 -0.765 1.00 0.00 C ATOM 812 O HIS A 49 -24.985 -3.330 -0.404 1.00 0.00 O ATOM 813 CB HIS A 49 -27.041 -2.898 -2.242 1.00 0.00 C ATOM 814 CG HIS A 49 -28.341 -2.707 -2.957 1.00 0.00 C ATOM 815 ND1 HIS A 49 -28.443 -2.641 -4.331 1.00 0.00 N ATOM 816 CD2 HIS A 49 -29.602 -2.567 -2.482 1.00 0.00 C ATOM 817 CE1 HIS A 49 -29.708 -2.469 -4.670 1.00 0.00 C ATOM 818 NE2 HIS A 49 -30.431 -2.422 -3.568 1.00 0.00 N ATOM 0 H HIS A 49 -28.644 -5.065 -0.527 1.00 0.00 H new ATOM 0 HA HIS A 49 -27.098 -5.035 -2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -26.882 -2.059 -1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.229 -2.879 -2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -29.900 -2.569 -1.444 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -30.086 -2.382 -5.678 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -31.443 -2.298 -3.528 1.00 0.00 H new ATOM 827 N GLY A 50 -25.157 -5.565 -0.590 1.00 0.00 N ATOM 828 CA GLY A 50 -23.882 -5.817 0.051 1.00 0.00 C ATOM 829 C GLY A 50 -23.098 -6.891 -0.665 1.00 0.00 C ATOM 830 O GLY A 50 -23.184 -8.071 -0.324 1.00 0.00 O ATOM 0 H GLY A 50 -25.658 -6.403 -0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.299 -4.896 0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -24.048 -6.117 1.086 1.00 0.00 H new ATOM 834 N LYS A 51 -22.340 -6.479 -1.667 1.00 0.00 N ATOM 835 CA LYS A 51 -21.539 -7.408 -2.454 1.00 0.00 C ATOM 836 C LYS A 51 -20.399 -7.991 -1.624 1.00 0.00 C ATOM 837 O LYS A 51 -19.937 -7.374 -0.666 1.00 0.00 O ATOM 838 CB LYS A 51 -20.980 -6.703 -3.693 1.00 0.00 C ATOM 839 CG LYS A 51 -21.194 -7.479 -4.982 1.00 0.00 C ATOM 840 CD LYS A 51 -21.976 -6.667 -6.002 1.00 0.00 C ATOM 841 CE LYS A 51 -23.373 -6.338 -5.499 1.00 0.00 C ATOM 842 NZ LYS A 51 -23.993 -5.223 -6.267 1.00 0.00 N ATOM 0 H LYS A 51 -22.261 -5.504 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.184 -8.228 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.449 -5.723 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.912 -6.533 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.228 -7.760 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.728 -8.404 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -21.440 -5.743 -6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.046 -7.225 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.003 -7.224 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.325 -6.069 -4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.944 -5.030 -5.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -23.405 -4.370 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.063 -5.489 -7.270 1.00 0.00 H new ATOM 856 N GLU A 52 -19.957 -9.189 -2.002 1.00 0.00 N ATOM 857 CA GLU A 52 -18.874 -9.872 -1.301 1.00 0.00 C ATOM 858 C GLU A 52 -18.147 -10.822 -2.245 1.00 0.00 C ATOM 859 O GLU A 52 -18.774 -11.581 -2.984 1.00 0.00 O ATOM 860 CB GLU A 52 -19.425 -10.643 -0.099 1.00 0.00 C ATOM 861 CG GLU A 52 -20.522 -11.631 -0.460 1.00 0.00 C ATOM 862 CD GLU A 52 -20.521 -12.856 0.433 1.00 0.00 C ATOM 863 OE1 GLU A 52 -20.727 -12.700 1.656 1.00 0.00 O ATOM 864 OE2 GLU A 52 -20.313 -13.972 -0.089 1.00 0.00 O ATOM 0 H GLU A 52 -20.335 -9.708 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.165 -9.124 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.608 -11.180 0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -19.813 -9.932 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.490 -11.135 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.399 -11.942 -1.497 1.00 0.00 H new ATOM 871 N MET A 53 -16.821 -10.768 -2.221 1.00 0.00 N ATOM 872 CA MET A 53 -16.010 -11.618 -3.081 1.00 0.00 C ATOM 873 C MET A 53 -15.093 -12.519 -2.265 1.00 0.00 C ATOM 874 O MET A 53 -14.653 -12.150 -1.175 1.00 0.00 O ATOM 875 CB MET A 53 -15.165 -10.766 -4.018 1.00 0.00 C ATOM 876 CG MET A 53 -14.298 -9.750 -3.294 1.00 0.00 C ATOM 877 SD MET A 53 -13.391 -8.696 -4.432 1.00 0.00 S ATOM 878 CE MET A 53 -14.727 -8.209 -5.510 1.00 0.00 C ATOM 0 H MET A 53 -16.286 -10.145 -1.616 1.00 0.00 H new ATOM 0 HA MET A 53 -16.690 -12.243 -3.660 1.00 0.00 H new ATOM 0 HB2 MET A 53 -14.526 -11.418 -4.614 1.00 0.00 H new ATOM 0 HB3 MET A 53 -15.822 -10.242 -4.713 1.00 0.00 H new ATOM 0 HG2 MET A 53 -14.925 -9.132 -2.651 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.594 -10.272 -2.646 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.519 -7.223 -5.925 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.822 -8.931 -6.321 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.658 -8.175 -4.944 1.00 0.00 H new ATOM 888 N ASP A 54 -14.789 -13.690 -2.811 1.00 0.00 N ATOM 889 CA ASP A 54 -13.901 -14.631 -2.146 1.00 0.00 C ATOM 890 C ASP A 54 -12.456 -14.188 -2.336 1.00 0.00 C ATOM 891 O ASP A 54 -12.005 -13.984 -3.463 1.00 0.00 O ATOM 892 CB ASP A 54 -14.099 -16.042 -2.702 1.00 0.00 C ATOM 893 CG ASP A 54 -13.860 -16.113 -4.199 1.00 0.00 C ATOM 894 OD1 ASP A 54 -14.198 -15.138 -4.900 1.00 0.00 O ATOM 895 OD2 ASP A 54 -13.333 -17.144 -4.666 1.00 0.00 O ATOM 0 H ASP A 54 -15.145 -14.009 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.136 -14.648 -1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.420 -16.728 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.113 -16.377 -2.482 1.00 0.00 H new ATOM 900 N LEU A 55 -11.736 -14.021 -1.233 1.00 0.00 N ATOM 901 CA LEU A 55 -10.348 -13.581 -1.293 1.00 0.00 C ATOM 902 C LEU A 55 -9.385 -14.755 -1.468 1.00 0.00 C ATOM 903 O LEU A 55 -8.258 -14.714 -0.982 1.00 0.00 O ATOM 904 CB LEU A 55 -9.988 -12.794 -0.033 1.00 0.00 C ATOM 905 CG LEU A 55 -10.274 -11.292 -0.100 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.901 -10.806 1.197 1.00 0.00 C ATOM 907 CD2 LEU A 55 -8.997 -10.520 -0.395 1.00 0.00 C ATOM 0 H LEU A 55 -12.089 -14.183 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.247 -12.936 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.538 -13.215 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.928 -12.937 0.175 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.981 -11.114 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.096 -9.736 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.838 -11.335 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.219 -10.998 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.218 -9.454 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.268 -10.707 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.588 -10.846 -1.351 1.00 0.00 H new ATOM 919 N LEU A 56 -9.827 -15.795 -2.167 1.00 0.00 N ATOM 920 CA LEU A 56 -8.985 -16.963 -2.402 1.00 0.00 C ATOM 921 C LEU A 56 -8.062 -16.725 -3.594 1.00 0.00 C ATOM 922 O LEU A 56 -6.857 -16.969 -3.520 1.00 0.00 O ATOM 923 CB LEU A 56 -9.850 -18.204 -2.642 1.00 0.00 C ATOM 924 CG LEU A 56 -9.675 -19.322 -1.614 1.00 0.00 C ATOM 925 CD1 LEU A 56 -11.002 -20.015 -1.344 1.00 0.00 C ATOM 926 CD2 LEU A 56 -8.635 -20.325 -2.091 1.00 0.00 C ATOM 0 H LEU A 56 -10.758 -15.854 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.372 -17.130 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.897 -17.902 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.622 -18.601 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.325 -18.880 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.856 -20.807 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.719 -19.290 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.383 -20.445 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.523 -21.114 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.957 -20.761 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.679 -19.820 -2.231 1.00 0.00 H new ATOM 938 N ARG A 57 -8.638 -16.241 -4.688 1.00 0.00 N ATOM 939 CA ARG A 57 -7.875 -15.959 -5.899 1.00 0.00 C ATOM 940 C ARG A 57 -8.167 -14.546 -6.392 1.00 0.00 C ATOM 941 O ARG A 57 -8.620 -14.348 -7.520 1.00 0.00 O ATOM 942 CB ARG A 57 -8.211 -16.979 -6.990 1.00 0.00 C ATOM 943 CG ARG A 57 -7.471 -18.297 -6.839 1.00 0.00 C ATOM 944 CD ARG A 57 -6.672 -18.637 -8.088 1.00 0.00 C ATOM 945 NE ARG A 57 -5.443 -19.361 -7.771 1.00 0.00 N ATOM 946 CZ ARG A 57 -4.425 -19.497 -8.617 1.00 0.00 C ATOM 947 NH1 ARG A 57 -4.484 -18.960 -9.829 1.00 0.00 N ATOM 948 NH2 ARG A 57 -3.344 -20.171 -8.249 1.00 0.00 N ATOM 0 H ARG A 57 -9.634 -16.035 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.813 -16.035 -5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.284 -17.171 -6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.975 -16.549 -7.963 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.801 -18.242 -5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.185 -19.095 -6.635 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.285 -19.240 -8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.425 -17.719 -8.621 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.361 -19.787 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.313 -18.440 -10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.700 -19.068 -10.473 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.293 -20.585 -7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.563 -20.276 -8.897 1.00 0.00 H new ATOM 962 N THR A 58 -7.909 -13.566 -5.533 1.00 0.00 N ATOM 963 CA THR A 58 -8.149 -12.166 -5.869 1.00 0.00 C ATOM 964 C THR A 58 -6.843 -11.445 -6.180 1.00 0.00 C ATOM 965 O THR A 58 -5.762 -11.907 -5.820 1.00 0.00 O ATOM 966 CB THR A 58 -8.868 -11.458 -4.720 1.00 0.00 C ATOM 967 OG1 THR A 58 -8.674 -12.155 -3.503 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.359 -11.322 -4.937 1.00 0.00 C ATOM 0 H THR A 58 -7.533 -13.715 -4.597 1.00 0.00 H new ATOM 0 HA THR A 58 -8.779 -12.140 -6.758 1.00 0.00 H new ATOM 0 HB THR A 58 -8.432 -10.460 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.074 -13.047 -3.570 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.806 -10.811 -4.084 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.544 -10.745 -5.843 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.803 -12.312 -5.040 1.00 0.00 H new ATOM 976 N THR A 59 -6.959 -10.303 -6.846 1.00 0.00 N ATOM 977 CA THR A 59 -5.796 -9.501 -7.204 1.00 0.00 C ATOM 978 C THR A 59 -5.984 -8.060 -6.747 1.00 0.00 C ATOM 979 O THR A 59 -7.097 -7.635 -6.437 1.00 0.00 O ATOM 980 CB THR A 59 -5.557 -9.547 -8.714 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.401 -10.502 -9.332 1.00 0.00 O ATOM 982 CG2 THR A 59 -4.131 -9.895 -9.083 1.00 0.00 C ATOM 0 H THR A 59 -7.850 -9.910 -7.150 1.00 0.00 H new ATOM 0 HA THR A 59 -4.924 -9.918 -6.701 1.00 0.00 H new ATOM 0 HB THR A 59 -5.776 -8.540 -9.068 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.232 -10.512 -10.297 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.029 -9.911 -10.168 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.455 -9.149 -8.666 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.880 -10.877 -8.681 1.00 0.00 H new ATOM 990 N VAL A 60 -4.891 -7.309 -6.710 1.00 0.00 N ATOM 991 CA VAL A 60 -4.939 -5.915 -6.293 1.00 0.00 C ATOM 992 C VAL A 60 -4.045 -5.052 -7.174 1.00 0.00 C ATOM 993 O VAL A 60 -2.884 -5.386 -7.410 1.00 0.00 O ATOM 994 CB VAL A 60 -4.508 -5.747 -4.824 1.00 0.00 C ATOM 995 CG1 VAL A 60 -5.567 -6.314 -3.890 1.00 0.00 C ATOM 996 CG2 VAL A 60 -3.163 -6.414 -4.583 1.00 0.00 C ATOM 0 H VAL A 60 -3.961 -7.642 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.975 -5.591 -6.395 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.402 -4.683 -4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.246 -6.187 -2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.509 -5.787 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.706 -7.375 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.875 -6.285 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.238 -7.477 -4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.410 -5.958 -5.226 1.00 0.00 H new ATOM 1407 N PHE A 90 -4.259 7.949 -3.347 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.426 6.651 -2.701 1.00 0.00 C ATOM 1409 C PHE A 90 -5.684 5.945 -3.206 1.00 0.00 C ATOM 1410 O PHE A 90 -6.797 6.285 -2.810 1.00 0.00 O ATOM 1411 CB PHE A 90 -4.507 6.827 -1.181 1.00 0.00 C ATOM 1412 CG PHE A 90 -3.177 7.081 -0.520 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -2.227 7.897 -1.114 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -2.882 6.501 0.705 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -1.010 8.129 -0.502 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -1.666 6.729 1.321 1.00 0.00 C ATOM 1417 CZ PHE A 90 -0.729 7.544 0.717 1.00 0.00 C ATOM 0 HA PHE A 90 -3.562 6.035 -2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.176 7.658 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.952 5.932 -0.746 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.441 8.357 -2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.611 5.864 1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.279 8.767 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.449 6.270 2.274 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.222 7.724 1.197 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.494 4.954 -4.075 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.610 4.192 -4.633 1.00 0.00 C ATOM 1429 C GLU A 91 -6.167 2.773 -4.985 1.00 0.00 C ATOM 1430 O GLU A 91 -5.095 2.575 -5.554 1.00 0.00 O ATOM 1431 CB GLU A 91 -7.172 4.887 -5.877 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.152 6.407 -5.803 1.00 0.00 C ATOM 1433 CD GLU A 91 -5.767 6.988 -6.016 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -4.825 6.206 -6.260 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -5.626 8.226 -5.937 1.00 0.00 O ATOM 0 H GLU A 91 -4.576 4.659 -4.409 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.394 4.139 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.599 4.569 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.199 4.555 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.830 6.812 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.528 6.724 -4.830 1.00 0.00 H new ATOM 1442 N PHE A 92 -6.996 1.787 -4.646 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.674 0.392 -4.936 1.00 0.00 C ATOM 1444 C PHE A 92 -7.853 -0.325 -5.588 1.00 0.00 C ATOM 1445 O PHE A 92 -9.012 -0.015 -5.314 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.247 -0.343 -3.658 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.339 -0.481 -2.634 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -8.398 -1.351 -2.839 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.307 0.262 -1.463 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -9.401 -1.480 -1.897 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.308 0.138 -0.518 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.357 -0.735 -0.736 1.00 0.00 C ATOM 0 H PHE A 92 -7.889 1.927 -4.174 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.841 0.385 -5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.888 -1.337 -3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.408 0.189 -3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.440 -1.935 -3.746 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.490 0.946 -1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.219 -2.164 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.270 0.722 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.141 -0.834 0.001 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.544 -1.288 -6.455 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.568 -2.057 -7.153 1.00 0.00 C ATOM 1464 C LEU A 93 -8.586 -3.501 -6.662 1.00 0.00 C ATOM 1465 O LEU A 93 -7.533 -4.107 -6.461 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.326 -2.029 -8.663 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.729 -0.727 -9.363 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.631 -0.267 -10.308 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -10.039 -0.911 -10.114 1.00 0.00 C ATOM 0 H LEU A 93 -6.588 -1.554 -6.690 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.534 -1.600 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.267 -2.210 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.875 -2.853 -9.118 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.872 0.043 -8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.935 0.659 -10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.714 -0.096 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.455 -1.034 -11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.311 0.023 -10.605 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.922 -1.694 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.824 -1.194 -9.413 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.788 -4.038 -6.472 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.958 -5.407 -5.998 1.00 0.00 C ATOM 1483 C ILE A 94 -10.597 -6.286 -7.072 1.00 0.00 C ATOM 1484 O ILE A 94 -11.779 -6.147 -7.369 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.841 -5.447 -4.735 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.459 -4.318 -3.776 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.727 -6.795 -4.044 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.034 -4.408 -3.275 1.00 0.00 C ATOM 0 H ILE A 94 -10.663 -3.542 -6.640 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.965 -5.790 -5.761 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.878 -5.304 -5.038 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.599 -3.361 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.137 -4.332 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.358 -6.803 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.051 -7.582 -4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.691 -6.969 -3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.832 -3.576 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.894 -5.349 -2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.348 -4.364 -4.121 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.816 -7.195 -7.647 1.00 0.00 N ATOM 1501 CA VAL A 95 -10.329 -8.084 -8.684 1.00 0.00 C ATOM 1502 C VAL A 95 -10.670 -9.459 -8.119 1.00 0.00 C ATOM 1503 O VAL A 95 -9.822 -10.127 -7.528 1.00 0.00 O ATOM 1504 CB VAL A 95 -9.326 -8.248 -9.844 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.855 -9.228 -10.884 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -9.025 -6.900 -10.480 1.00 0.00 C ATOM 0 H VAL A 95 -8.833 -7.335 -7.415 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.237 -7.619 -9.068 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.399 -8.654 -9.440 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.130 -9.327 -11.692 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.015 -10.201 -10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.798 -8.858 -11.286 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.316 -7.033 -11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.947 -6.466 -10.867 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.596 -6.233 -9.732 1.00 0.00 H new ATOM 1516 N SER A 96 -11.918 -9.876 -8.313 1.00 0.00 N ATOM 1517 CA SER A 96 -12.375 -11.172 -7.833 1.00 0.00 C ATOM 1518 C SER A 96 -12.195 -12.240 -8.908 1.00 0.00 C ATOM 1519 O SER A 96 -11.861 -11.930 -10.052 1.00 0.00 O ATOM 1520 CB SER A 96 -13.845 -11.096 -7.413 1.00 0.00 C ATOM 1521 OG SER A 96 -14.415 -12.390 -7.310 1.00 0.00 O ATOM 0 H SER A 96 -12.630 -9.332 -8.800 1.00 0.00 H new ATOM 0 HA SER A 96 -11.773 -11.446 -6.967 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.926 -10.582 -6.455 1.00 0.00 H new ATOM 0 HB3 SER A 96 -14.404 -10.506 -8.140 1.00 0.00 H new ATOM 0 HG SER A 96 -15.354 -12.313 -7.039 1.00 0.00 H new ATOM 1527 N SER A 97 -12.414 -13.495 -8.534 1.00 0.00 N ATOM 1528 CA SER A 97 -12.271 -14.605 -9.468 1.00 0.00 C ATOM 1529 C SER A 97 -13.363 -14.578 -10.536 1.00 0.00 C ATOM 1530 O SER A 97 -13.268 -15.276 -11.545 1.00 0.00 O ATOM 1531 CB SER A 97 -12.309 -15.938 -8.718 1.00 0.00 C ATOM 1532 OG SER A 97 -12.519 -17.019 -9.610 1.00 0.00 O ATOM 0 H SER A 97 -12.691 -13.769 -7.591 1.00 0.00 H new ATOM 0 HA SER A 97 -11.307 -14.499 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.372 -16.083 -8.180 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.104 -15.917 -7.973 1.00 0.00 H new ATOM 0 HG SER A 97 -12.538 -17.860 -9.107 1.00 0.00 H new ATOM 1538 N THR A 98 -14.399 -13.774 -10.313 1.00 0.00 N ATOM 1539 CA THR A 98 -15.498 -13.672 -11.268 1.00 0.00 C ATOM 1540 C THR A 98 -15.380 -12.409 -12.110 1.00 0.00 C ATOM 1541 O THR A 98 -16.369 -11.906 -12.641 1.00 0.00 O ATOM 1542 CB THR A 98 -16.845 -13.696 -10.541 1.00 0.00 C ATOM 1543 OG1 THR A 98 -17.203 -12.398 -10.101 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.855 -14.606 -9.334 1.00 0.00 C ATOM 0 H THR A 98 -14.500 -13.187 -9.485 1.00 0.00 H new ATOM 0 HA THR A 98 -15.441 -14.533 -11.934 1.00 0.00 H new ATOM 0 HB THR A 98 -17.560 -14.076 -11.271 1.00 0.00 H new ATOM 0 HG1 THR A 98 -17.419 -11.838 -10.876 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.838 -14.577 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 98 -16.632 -15.626 -9.646 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.102 -14.272 -8.620 1.00 0.00 H new ATOM 1552 N GLY A 99 -14.160 -11.906 -12.228 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.920 -10.708 -13.010 1.00 0.00 C ATOM 1554 C GLY A 99 -14.499 -9.456 -12.375 1.00 0.00 C ATOM 1555 O GLY A 99 -14.465 -8.382 -12.975 1.00 0.00 O ATOM 0 H GLY A 99 -13.328 -12.307 -11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.846 -10.577 -13.143 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.351 -10.837 -14.003 1.00 0.00 H new ATOM 1559 N GLN A 100 -15.024 -9.583 -11.159 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.598 -8.440 -10.457 1.00 0.00 C ATOM 1561 C GLN A 100 -14.492 -7.552 -9.903 1.00 0.00 C ATOM 1562 O GLN A 100 -13.721 -7.972 -9.040 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.513 -8.916 -9.326 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.904 -8.304 -9.371 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.879 -9.130 -10.185 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -18.510 -9.427 -11.426 1.00 0.00 O flip ATOM 1567 NE2 GLN A 100 -19.952 -9.496 -9.707 1.00 0.00 N flip ATOM 0 H GLN A 100 -15.064 -10.461 -10.642 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.191 -7.859 -11.163 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.601 -10.001 -9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -16.050 -8.675 -8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.283 -8.199 -8.355 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.842 -7.301 -9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -20.195 -9.245 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.598 -10.050 -10.269 1.00 0.00 H new ATOM 1576 N THR A 101 -14.410 -6.326 -10.409 1.00 0.00 N ATOM 1577 CA THR A 101 -13.383 -5.393 -9.965 1.00 0.00 C ATOM 1578 C THR A 101 -13.976 -4.253 -9.144 1.00 0.00 C ATOM 1579 O THR A 101 -14.733 -3.429 -9.656 1.00 0.00 O ATOM 1580 CB THR A 101 -12.628 -4.827 -11.168 1.00 0.00 C ATOM 1581 OG1 THR A 101 -12.416 -5.831 -12.145 1.00 0.00 O ATOM 1582 CG2 THR A 101 -11.277 -4.247 -10.806 1.00 0.00 C ATOM 0 H THR A 101 -15.039 -5.958 -11.123 1.00 0.00 H new ATOM 0 HA THR A 101 -12.691 -5.943 -9.327 1.00 0.00 H new ATOM 0 HB THR A 101 -13.259 -4.027 -11.555 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.933 -5.449 -12.907 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.794 -3.863 -11.704 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.409 -3.436 -10.090 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.654 -5.024 -10.363 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.607 -4.206 -7.869 1.00 0.00 N ATOM 1591 CA TRP A 102 -14.076 -3.162 -6.968 1.00 0.00 C ATOM 1592 C TRP A 102 -13.012 -2.090 -6.798 1.00 0.00 C ATOM 1593 O TRP A 102 -12.023 -2.299 -6.096 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.398 -3.740 -5.597 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.447 -4.802 -5.597 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -16.108 -5.326 -6.670 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.949 -5.473 -4.447 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -16.992 -6.292 -6.247 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.912 -6.397 -4.883 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.669 -5.379 -3.087 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.598 -7.225 -3.997 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.352 -6.202 -2.216 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.299 -7.110 -2.672 1.00 0.00 C ATOM 0 H TRP A 102 -12.980 -4.884 -7.435 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.975 -2.728 -7.405 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.484 -4.151 -5.168 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.721 -2.930 -4.943 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.959 -5.027 -7.697 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.606 -6.840 -6.850 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.934 -4.677 -2.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.338 -7.930 -4.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.146 -6.139 -1.158 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.811 -7.740 -1.960 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.215 -0.938 -7.419 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.256 0.147 -7.293 1.00 0.00 C ATOM 1616 C HIS A 103 -12.640 1.055 -6.133 1.00 0.00 C ATOM 1617 O HIS A 103 -13.701 1.678 -6.145 1.00 0.00 O ATOM 1618 CB HIS A 103 -12.167 0.956 -8.588 1.00 0.00 C ATOM 1619 CG HIS A 103 -10.974 1.854 -8.615 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -10.130 1.986 -7.536 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.484 2.669 -9.578 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.177 2.843 -7.825 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.362 3.273 -9.061 1.00 0.00 N ATOM 0 H HIS A 103 -14.023 -0.732 -8.007 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.276 -0.288 -7.096 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -12.125 0.274 -9.437 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -13.071 1.554 -8.703 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.896 2.817 -10.565 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.378 3.145 -7.164 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.770 3.943 -9.551 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.782 1.120 -5.118 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.064 1.946 -3.951 1.00 0.00 C ATOM 1634 C PHE A 104 -10.990 3.000 -3.713 1.00 0.00 C ATOM 1635 O PHE A 104 -9.872 2.907 -4.222 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.194 1.077 -2.696 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.274 0.033 -2.768 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.512 0.329 -3.318 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.052 -1.242 -2.272 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.506 -0.630 -3.371 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -14.042 -2.204 -2.325 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.272 -1.897 -2.875 1.00 0.00 C ATOM 0 H PHE A 104 -10.896 0.616 -5.081 1.00 0.00 H new ATOM 0 HA PHE A 104 -13.005 2.457 -4.153 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.240 0.583 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.388 1.724 -1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.701 1.318 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.093 -1.486 -1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.467 -0.388 -3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.855 -3.194 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.048 -2.647 -2.917 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.353 3.996 -2.908 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.453 5.084 -2.550 1.00 0.00 C ATOM 1654 C GLU A 105 -10.475 5.290 -1.041 1.00 0.00 C ATOM 1655 O GLU A 105 -11.397 5.903 -0.501 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.867 6.375 -3.259 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.749 7.399 -3.362 1.00 0.00 C ATOM 1658 CD GLU A 105 -9.765 8.397 -2.221 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -10.322 8.066 -1.152 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -9.223 9.507 -2.395 1.00 0.00 O ATOM 0 H GLU A 105 -12.279 4.069 -2.487 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.442 4.824 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -11.219 6.132 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.707 6.819 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.789 6.883 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.837 7.933 -4.308 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.462 4.762 -0.362 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.366 4.873 1.089 1.00 0.00 C ATOM 1669 C ALA A 106 -9.516 6.318 1.555 1.00 0.00 C ATOM 1670 O ALA A 106 -8.761 7.198 1.140 1.00 0.00 O ATOM 1671 CB ALA A 106 -8.043 4.298 1.573 1.00 0.00 C ATOM 0 H ALA A 106 -8.693 4.251 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.186 4.300 1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.983 4.387 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.978 3.247 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.219 4.848 1.118 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.491 6.554 2.428 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.733 7.890 2.958 1.00 0.00 C ATOM 1679 C ALA A 107 -9.500 8.411 3.687 1.00 0.00 C ATOM 1680 O ALA A 107 -9.228 9.611 3.695 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.937 7.879 3.890 1.00 0.00 C ATOM 0 H ALA A 107 -11.125 5.838 2.782 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.945 8.558 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.106 8.883 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.819 7.549 3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.749 7.196 4.719 1.00 0.00 H new ATOM 1687 N SER A 108 -8.753 7.492 4.292 1.00 0.00 N ATOM 1688 CA SER A 108 -7.541 7.844 5.018 1.00 0.00 C ATOM 1689 C SER A 108 -6.316 7.250 4.331 1.00 0.00 C ATOM 1690 O SER A 108 -6.354 6.121 3.843 1.00 0.00 O ATOM 1691 CB SER A 108 -7.623 7.352 6.464 1.00 0.00 C ATOM 1692 OG SER A 108 -8.959 7.054 6.828 1.00 0.00 O ATOM 0 H SER A 108 -8.968 6.495 4.293 1.00 0.00 H new ATOM 0 HA SER A 108 -7.447 8.930 5.022 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.004 6.463 6.584 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.222 8.113 7.133 1.00 0.00 H new ATOM 0 HG SER A 108 -8.983 6.740 7.756 1.00 0.00 H new ATOM 1698 N PHE A 109 -5.232 8.017 4.292 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.999 7.564 3.658 1.00 0.00 C ATOM 1700 C PHE A 109 -3.499 6.268 4.288 1.00 0.00 C ATOM 1701 O PHE A 109 -3.024 5.372 3.591 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.924 8.647 3.758 1.00 0.00 C ATOM 1703 CG PHE A 109 -3.052 9.706 2.701 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -4.279 10.293 2.437 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -1.948 10.112 1.970 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -4.403 11.265 1.464 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -2.065 11.086 0.995 1.00 0.00 C ATOM 1708 CZ PHE A 109 -3.295 11.663 0.742 1.00 0.00 C ATOM 0 H PHE A 109 -5.182 8.954 4.691 1.00 0.00 H new ATOM 0 HA PHE A 109 -4.212 7.369 2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.979 9.115 4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.941 8.182 3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -5.149 9.987 2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.985 9.663 2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -5.366 11.714 1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.197 11.395 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.390 12.424 -0.019 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.614 6.173 5.608 1.00 0.00 N ATOM 1719 CA GLU A 110 -3.177 4.982 6.327 1.00 0.00 C ATOM 1720 C GLU A 110 -4.134 3.820 6.081 1.00 0.00 C ATOM 1721 O GLU A 110 -3.725 2.660 6.050 1.00 0.00 O ATOM 1722 CB GLU A 110 -3.081 5.272 7.826 1.00 0.00 C ATOM 1723 CG GLU A 110 -1.895 6.145 8.203 1.00 0.00 C ATOM 1724 CD GLU A 110 -0.688 5.335 8.633 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -0.681 4.844 9.781 1.00 0.00 O ATOM 1726 OE2 GLU A 110 0.251 5.192 7.821 1.00 0.00 O ATOM 0 H GLU A 110 -4.005 6.905 6.201 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.191 4.703 5.956 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.999 5.760 8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.013 4.328 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.624 6.770 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.185 6.816 9.012 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.412 4.144 5.908 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.432 3.130 5.665 1.00 0.00 C ATOM 1735 C GLU A 111 -6.222 2.453 4.315 1.00 0.00 C ATOM 1736 O GLU A 111 -6.448 1.252 4.171 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.827 3.756 5.723 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.893 2.816 6.262 1.00 0.00 C ATOM 1739 CD GLU A 111 -10.295 3.242 5.872 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -10.615 3.197 4.665 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -11.073 3.622 6.772 1.00 0.00 O ATOM 0 H GLU A 111 -5.766 5.100 5.932 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.346 2.374 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.790 4.648 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.113 4.080 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.706 1.809 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.819 2.773 7.349 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.790 3.227 3.324 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.559 2.692 1.987 1.00 0.00 C ATOM 1750 C ARG A 112 -4.575 1.531 2.030 1.00 0.00 C ATOM 1751 O ARG A 112 -4.835 0.465 1.471 1.00 0.00 O ATOM 1752 CB ARG A 112 -5.028 3.786 1.058 1.00 0.00 C ATOM 1753 CG ARG A 112 -5.103 3.417 -0.415 1.00 0.00 C ATOM 1754 CD ARG A 112 -3.805 3.735 -1.144 1.00 0.00 C ATOM 1755 NE ARG A 112 -3.060 2.525 -1.491 1.00 0.00 N ATOM 1756 CZ ARG A 112 -2.097 1.999 -0.735 1.00 0.00 C ATOM 1757 NH1 ARG A 112 -1.758 2.561 0.418 1.00 0.00 N ATOM 1758 NH2 ARG A 112 -1.468 0.901 -1.138 1.00 0.00 N ATOM 0 H ARG A 112 -5.594 4.223 3.421 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.511 2.328 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -5.596 4.701 1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.992 4.002 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.324 2.354 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.925 3.958 -0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.027 4.296 -2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -3.185 4.375 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.292 2.055 -2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.236 3.405 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.019 2.149 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.723 0.463 -2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.730 0.495 -0.562 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.449 1.738 2.701 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.437 0.697 2.816 1.00 0.00 C ATOM 1774 C ASP A 113 -2.980 -0.486 3.605 1.00 0.00 C ATOM 1775 O ASP A 113 -2.793 -1.639 3.217 1.00 0.00 O ATOM 1776 CB ASP A 113 -1.175 1.244 3.485 1.00 0.00 C ATOM 1777 CG ASP A 113 0.026 0.341 3.282 1.00 0.00 C ATOM 1778 OD1 ASP A 113 0.200 -0.605 4.079 1.00 0.00 O ATOM 1779 OD2 ASP A 113 0.791 0.579 2.325 1.00 0.00 O ATOM 0 H ASP A 113 -3.215 2.612 3.171 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.178 0.359 1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.954 2.233 3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.357 1.367 4.553 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.670 -0.197 4.705 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.251 -1.248 5.529 1.00 0.00 C ATOM 1786 C ALA A 114 -5.162 -2.128 4.689 1.00 0.00 C ATOM 1787 O ALA A 114 -5.023 -3.348 4.678 1.00 0.00 O ATOM 1788 CB ALA A 114 -5.014 -0.649 6.702 1.00 0.00 C ATOM 0 H ALA A 114 -3.839 0.750 5.043 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.445 -1.864 5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.441 -1.450 7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.334 -0.056 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.815 -0.011 6.328 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.082 -1.494 3.968 1.00 0.00 N ATOM 1795 CA TRP A 115 -7.001 -2.214 3.099 1.00 0.00 C ATOM 1796 C TRP A 115 -6.237 -3.058 2.092 1.00 0.00 C ATOM 1797 O TRP A 115 -6.431 -4.269 2.016 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.903 -1.228 2.373 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.103 -0.862 3.175 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.271 0.252 3.939 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.296 -1.628 3.313 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.504 0.238 4.527 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.156 -0.906 4.158 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.728 -2.851 2.798 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.418 -1.370 4.497 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -11.986 -3.301 3.146 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.812 -2.566 3.979 1.00 0.00 C ATOM 0 H TRP A 115 -6.209 -0.482 3.970 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.612 -2.877 3.712 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.337 -0.326 2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.221 -1.661 1.424 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.536 1.034 4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.877 0.962 5.141 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.094 -3.431 2.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.066 -0.803 5.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.333 -4.248 2.760 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.791 -2.950 4.224 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.354 -2.415 1.328 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.558 -3.123 0.336 1.00 0.00 C ATOM 1820 C VAL A 116 -3.834 -4.300 0.981 1.00 0.00 C ATOM 1821 O VAL A 116 -3.709 -5.371 0.383 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.538 -2.186 -0.345 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.612 -2.967 -1.270 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -4.256 -1.082 -1.109 1.00 0.00 C ATOM 0 H VAL A 116 -5.175 -1.412 1.379 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.238 -3.495 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.927 -1.727 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.903 -2.283 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.068 -3.715 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.201 -3.462 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.522 -0.431 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.895 -1.525 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.866 -0.499 -0.419 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.381 -4.103 2.216 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.696 -5.161 2.944 1.00 0.00 C ATOM 1836 C GLN A 117 -3.706 -6.180 3.454 1.00 0.00 C ATOM 1837 O GLN A 117 -3.399 -7.363 3.582 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.894 -4.578 4.112 1.00 0.00 C ATOM 1839 CG GLN A 117 -0.395 -4.802 3.992 1.00 0.00 C ATOM 1840 CD GLN A 117 0.134 -5.779 5.023 1.00 0.00 C ATOM 1841 OE1 GLN A 117 0.700 -5.380 6.040 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -0.049 -7.069 4.766 1.00 0.00 N ATOM 0 H GLN A 117 -3.476 -3.226 2.729 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.003 -5.659 2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.089 -3.508 4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.246 -5.024 5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.166 -5.174 2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.121 -3.848 4.103 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -0.524 -7.356 3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 117 0.285 -7.773 5.425 1.00 0.00 H new ATOM 1851 N ALA A 118 -4.922 -5.712 3.730 1.00 0.00 N ATOM 1852 CA ALA A 118 -5.984 -6.581 4.211 1.00 0.00 C ATOM 1853 C ALA A 118 -6.428 -7.529 3.109 1.00 0.00 C ATOM 1854 O ALA A 118 -6.692 -8.707 3.356 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.160 -5.756 4.712 1.00 0.00 C ATOM 0 H ALA A 118 -5.192 -4.734 3.627 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.601 -7.172 5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.946 -6.422 5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.832 -5.113 5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.546 -5.142 3.899 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.497 -7.014 1.887 1.00 0.00 N ATOM 1862 CA ILE A 119 -6.898 -7.826 0.746 1.00 0.00 C ATOM 1863 C ILE A 119 -5.840 -8.884 0.458 1.00 0.00 C ATOM 1864 O ILE A 119 -6.147 -10.070 0.367 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.126 -6.983 -0.532 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -7.681 -5.588 -0.203 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -8.065 -7.713 -1.480 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.763 -5.582 0.855 1.00 0.00 C ATOM 0 H ILE A 119 -6.282 -6.043 1.662 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.845 -8.295 1.012 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.159 -6.847 -1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.860 -4.952 0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -8.079 -5.144 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -8.218 -7.111 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -7.628 -8.672 -1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -9.023 -7.880 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.099 -4.559 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -9.604 -6.188 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.367 -5.994 1.783 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.589 -8.447 0.329 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.490 -9.368 0.068 1.00 0.00 C ATOM 1882 C GLU A 120 -3.293 -10.307 1.254 1.00 0.00 C ATOM 1883 O GLU A 120 -2.912 -11.464 1.088 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.199 -8.596 -0.211 1.00 0.00 C ATOM 1885 CG GLU A 120 -1.915 -8.397 -1.692 1.00 0.00 C ATOM 1886 CD GLU A 120 -0.474 -8.698 -2.056 1.00 0.00 C ATOM 1887 OE1 GLU A 120 0.421 -8.385 -1.241 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -0.240 -9.246 -3.153 1.00 0.00 O ATOM 0 H GLU A 120 -4.314 -7.467 0.401 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.739 -9.960 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.257 -7.621 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.363 -9.128 0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.575 -9.040 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.148 -7.369 -1.968 1.00 0.00 H new ATOM 1895 N SER A 121 -3.561 -9.794 2.452 1.00 0.00 N ATOM 1896 CA SER A 121 -3.420 -10.586 3.668 1.00 0.00 C ATOM 1897 C SER A 121 -4.426 -11.729 3.685 1.00 0.00 C ATOM 1898 O SER A 121 -4.100 -12.850 4.078 1.00 0.00 O ATOM 1899 CB SER A 121 -3.608 -9.707 4.905 1.00 0.00 C ATOM 1900 OG SER A 121 -3.649 -10.490 6.086 1.00 0.00 O ATOM 0 H SER A 121 -3.876 -8.836 2.605 1.00 0.00 H new ATOM 0 HA SER A 121 -2.414 -11.006 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.792 -8.987 4.971 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.531 -9.135 4.812 1.00 0.00 H new ATOM 0 HG SER A 121 -3.768 -9.904 6.863 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.648 -11.440 3.251 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.694 -12.452 3.213 1.00 0.00 C ATOM 1908 C GLN A 122 -6.395 -13.487 2.135 1.00 0.00 C ATOM 1909 O GLN A 122 -6.719 -14.666 2.282 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.057 -11.803 2.957 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.866 -11.570 4.222 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.157 -10.659 5.206 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -8.253 -9.435 5.118 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.437 -11.255 6.150 1.00 0.00 N ATOM 0 H GLN A 122 -5.936 -10.518 2.923 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.722 -12.954 4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -7.907 -10.849 2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.631 -12.436 2.280 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.830 -11.134 3.958 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.070 -12.528 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.385 -12.273 6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -6.936 -10.695 6.839 1.00 0.00 H new ATOM 1923 N ILE A 123 -5.768 -13.037 1.056 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.416 -13.922 -0.044 1.00 0.00 C ATOM 1925 C ILE A 123 -4.254 -14.828 0.339 1.00 0.00 C ATOM 1926 O ILE A 123 -4.228 -16.005 -0.018 1.00 0.00 O ATOM 1927 CB ILE A 123 -5.050 -13.126 -1.313 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.188 -12.180 -1.692 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -4.740 -14.069 -2.463 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -5.730 -10.955 -2.455 1.00 0.00 C ATOM 0 H ILE A 123 -5.493 -12.064 0.920 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.293 -14.534 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.159 -12.533 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -6.915 -12.723 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.702 -11.862 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.484 -13.489 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -3.900 -14.709 -2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.613 -14.686 -2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -6.591 -10.330 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.026 -10.389 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.242 -11.264 -3.380 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.300 -14.274 1.077 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.140 -15.037 1.516 1.00 0.00 C ATOM 1944 C LEU A 124 -2.556 -16.123 2.500 1.00 0.00 C ATOM 1945 O LEU A 124 -2.017 -17.230 2.485 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.108 -14.112 2.164 1.00 0.00 C ATOM 1947 CG LEU A 124 0.322 -14.655 2.189 1.00 0.00 C ATOM 1948 CD1 LEU A 124 1.327 -13.525 2.030 1.00 0.00 C ATOM 1949 CD2 LEU A 124 0.578 -15.420 3.479 1.00 0.00 C ATOM 0 H LEU A 124 -3.307 -13.301 1.383 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.691 -15.510 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.110 -13.161 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.420 -13.905 3.188 1.00 0.00 H new ATOM 0 HG LEU A 124 0.444 -15.341 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.338 -13.932 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.158 -13.019 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.206 -12.813 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.600 -15.799 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.437 -14.755 4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.119 -16.255 3.551 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.526 -15.803 3.351 1.00 0.00 N ATOM 1962 CA ALA A 125 -4.022 -16.753 4.338 1.00 0.00 C ATOM 1963 C ALA A 125 -4.936 -17.788 3.689 1.00 0.00 C ATOM 1964 O ALA A 125 -5.048 -18.917 4.164 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.754 -16.023 5.452 1.00 0.00 C ATOM 0 H ALA A 125 -3.984 -14.892 3.376 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.167 -17.277 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.119 -16.745 6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.072 -15.327 5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.597 -15.472 5.034 1.00 0.00 H new ATOM 1971 N SER A 126 -5.590 -17.392 2.599 1.00 0.00 N ATOM 1972 CA SER A 126 -6.495 -18.285 1.885 1.00 0.00 C ATOM 1973 C SER A 126 -5.732 -19.182 0.914 1.00 0.00 C ATOM 1974 O SER A 126 -6.105 -20.334 0.697 1.00 0.00 O ATOM 1975 CB SER A 126 -7.551 -17.474 1.128 1.00 0.00 C ATOM 1976 OG SER A 126 -8.738 -17.348 1.890 1.00 0.00 O ATOM 0 H SER A 126 -5.509 -16.460 2.193 1.00 0.00 H new ATOM 0 HA SER A 126 -6.989 -18.921 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.157 -16.485 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.775 -17.959 0.178 1.00 0.00 H new ATOM 0 HG SER A 126 -9.396 -16.825 1.386 1.00 0.00 H new