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 31 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 122 GLN : amide:sc= -2.69 K(o=-2.7,f=-14!) USER MOD Set 2.1: A 7 GLN : amide:sc= 0.729 K(o=1.6,f=-0.11) USER MOD Set 2.2: A 26 TYR OH : rot -75:sc= 0.916 USER MOD Set 3.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 25 LYS NZ :NH3+ 155:sc= -0.234 (180deg=-0.419) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 160:sc= 0.018 USER MOD Single : A 12 LYS NZ :NH3+ -146:sc= 1.03 (180deg=0.0916) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= -0.0825 (180deg=-0.505) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0208) USER MOD Single : A 28 THR OG1 : rot -171:sc= -1.26 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0257 USER MOD Single : A 32 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -4.74! C(o=-4.7!,f=-6.2!) USER MOD Single : A 40 SER OG : rot 180:sc= 0.00224 USER MOD Single : A 42 ASN : amide:sc= -0.402 K(o=-0.4,f=-2) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -1.77 F(o=-7.4!,f=-1.8) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 175:sc= -0.0401 USER MOD Single : A 49 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.022) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 164:sc= -11.1! (180deg=-12.5!) USER MOD Single : A 58 THR OG1 : rot -72:sc= -3.02! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -140:sc= 0.0736 USER MOD Single : A 98 THR OG1 : rot -52:sc= 1.23 USER MOD Single : A 100 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.031) USER MOD Single : A 101 THR OG1 : rot 51:sc= 0.396 USER MOD Single : A 103 HIS : no HD1:sc= -6.81! C(o=-6.8!,f=-7.4!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.1!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -12.489 -11.933 12.268 1.00 0.00 N ATOM 38 CA ILE A 3 -12.165 -10.645 12.862 1.00 0.00 C ATOM 39 C ILE A 3 -12.012 -9.574 11.785 1.00 0.00 C ATOM 40 O ILE A 3 -11.371 -9.803 10.762 1.00 0.00 O ATOM 41 CB ILE A 3 -10.866 -10.715 13.688 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.911 -11.900 14.657 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.648 -9.414 14.445 1.00 0.00 C ATOM 44 CD1 ILE A 3 -9.544 -12.357 15.116 1.00 0.00 C ATOM 0 HA ILE A 3 -12.990 -10.383 13.524 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.029 -10.861 13.005 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -11.505 -11.624 15.529 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.421 -12.734 14.175 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.726 -9.480 15.023 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.574 -8.589 13.737 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.487 -9.240 15.118 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.652 -13.199 15.800 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.954 -12.664 14.252 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.039 -11.537 15.627 1.00 0.00 H new ATOM 56 N PRO A 4 -12.601 -8.383 11.993 1.00 0.00 N ATOM 57 CA PRO A 4 -12.519 -7.290 11.020 1.00 0.00 C ATOM 58 C PRO A 4 -11.083 -6.846 10.765 1.00 0.00 C ATOM 59 O PRO A 4 -10.354 -6.492 11.692 1.00 0.00 O ATOM 60 CB PRO A 4 -13.322 -6.156 11.669 1.00 0.00 C ATOM 61 CG PRO A 4 -14.173 -6.818 12.697 1.00 0.00 C ATOM 62 CD PRO A 4 -13.394 -8.009 13.175 1.00 0.00 C ATOM 0 HA PRO A 4 -12.903 -7.592 10.046 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.662 -5.415 12.121 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -13.931 -5.633 10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.390 -6.138 13.521 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.130 -7.122 12.274 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.759 -7.761 14.025 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.050 -8.819 13.493 1.00 0.00 H new ATOM 70 N ILE A 5 -10.687 -6.863 9.498 1.00 0.00 N ATOM 71 CA ILE A 5 -9.340 -6.460 9.105 1.00 0.00 C ATOM 72 C ILE A 5 -9.293 -4.983 8.706 1.00 0.00 C ATOM 73 O ILE A 5 -8.230 -4.365 8.709 1.00 0.00 O ATOM 74 CB ILE A 5 -8.813 -7.316 7.939 1.00 0.00 C ATOM 75 CG1 ILE A 5 -9.013 -8.803 8.238 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.346 -7.016 7.677 1.00 0.00 C ATOM 77 CD1 ILE A 5 -8.212 -9.294 9.425 1.00 0.00 C ATOM 0 H ILE A 5 -11.281 -7.153 8.721 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.702 -6.614 9.975 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.379 -7.065 7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.071 -8.989 8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.736 -9.383 7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.991 -7.630 6.850 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.230 -5.963 7.423 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.764 -7.240 8.571 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.403 -10.356 9.578 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.150 -9.140 9.236 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.506 -8.740 10.317 1.00 0.00 H new ATOM 89 N LYS A 6 -10.457 -4.424 8.379 1.00 0.00 N ATOM 90 CA LYS A 6 -10.572 -3.020 7.995 1.00 0.00 C ATOM 91 C LYS A 6 -12.009 -2.717 7.633 1.00 0.00 C ATOM 92 O LYS A 6 -12.504 -3.182 6.622 1.00 0.00 O ATOM 93 CB LYS A 6 -9.679 -2.685 6.789 1.00 0.00 C ATOM 94 CG LYS A 6 -8.734 -1.514 7.013 1.00 0.00 C ATOM 95 CD LYS A 6 -7.881 -1.694 8.260 1.00 0.00 C ATOM 96 CE LYS A 6 -7.425 -0.357 8.819 1.00 0.00 C ATOM 97 NZ LYS A 6 -6.535 -0.522 10.001 1.00 0.00 N ATOM 0 H LYS A 6 -11.343 -4.930 8.373 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.249 -2.415 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.091 -3.566 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.315 -2.464 5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.085 -1.402 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.312 -0.594 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.451 -2.231 9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.011 -2.306 8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.899 0.200 8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.296 0.235 9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.247 0.414 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.045 -1.031 10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.691 -1.064 9.727 1.00 0.00 H new ATOM 111 N GLN A 7 -12.675 -1.933 8.449 1.00 0.00 N ATOM 112 CA GLN A 7 -14.061 -1.582 8.176 1.00 0.00 C ATOM 113 C GLN A 7 -14.247 -0.069 8.222 1.00 0.00 C ATOM 114 O GLN A 7 -14.113 0.551 9.277 1.00 0.00 O ATOM 115 CB GLN A 7 -14.991 -2.262 9.187 1.00 0.00 C ATOM 116 CG GLN A 7 -16.443 -1.819 9.084 1.00 0.00 C ATOM 117 CD GLN A 7 -16.961 -1.210 10.374 1.00 0.00 C ATOM 118 OE1 GLN A 7 -17.861 -1.758 11.012 1.00 0.00 O ATOM 119 NE2 GLN A 7 -16.397 -0.073 10.762 1.00 0.00 N ATOM 0 H GLN A 7 -12.289 -1.526 9.301 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.316 -1.932 7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -14.940 -3.341 9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.629 -2.056 10.194 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -16.541 -1.091 8.278 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -17.062 -2.675 8.817 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.654 0.345 10.202 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.706 0.383 11.621 1.00 0.00 H new ATOM 128 N SER A 8 -14.554 0.519 7.073 1.00 0.00 N ATOM 129 CA SER A 8 -14.755 1.960 6.988 1.00 0.00 C ATOM 130 C SER A 8 -15.373 2.350 5.650 1.00 0.00 C ATOM 131 O SER A 8 -15.687 1.493 4.826 1.00 0.00 O ATOM 132 CB SER A 8 -13.426 2.693 7.182 1.00 0.00 C ATOM 133 OG SER A 8 -12.444 2.219 6.278 1.00 0.00 O ATOM 0 H SER A 8 -14.669 0.022 6.190 1.00 0.00 H new ATOM 0 HA SER A 8 -15.444 2.251 7.781 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.573 3.763 7.036 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.078 2.556 8.206 1.00 0.00 H new ATOM 0 HG SER A 8 -11.732 2.886 6.189 1.00 0.00 H new ATOM 139 N PHE A 9 -15.545 3.652 5.444 1.00 0.00 N ATOM 140 CA PHE A 9 -16.128 4.159 4.208 1.00 0.00 C ATOM 141 C PHE A 9 -15.068 4.297 3.119 1.00 0.00 C ATOM 142 O PHE A 9 -13.925 4.665 3.391 1.00 0.00 O ATOM 143 CB PHE A 9 -16.803 5.511 4.451 1.00 0.00 C ATOM 144 CG PHE A 9 -17.586 5.575 5.733 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.362 4.502 6.143 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.544 6.710 6.528 1.00 0.00 C ATOM 147 CE1 PHE A 9 -19.083 4.561 7.321 1.00 0.00 C ATOM 148 CE2 PHE A 9 -18.263 6.774 7.707 1.00 0.00 C ATOM 149 CZ PHE A 9 -19.032 5.698 8.103 1.00 0.00 C ATOM 0 H PHE A 9 -15.289 4.374 6.117 1.00 0.00 H new ATOM 0 HA PHE A 9 -16.877 3.442 3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -16.041 6.290 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.470 5.729 3.617 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.404 3.610 5.535 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -16.943 7.554 6.223 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.685 3.719 7.629 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -18.223 7.664 8.317 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.594 5.745 9.024 1.00 0.00 H new ATOM 159 N LEU A 10 -15.460 3.999 1.886 1.00 0.00 N ATOM 160 CA LEU A 10 -14.552 4.089 0.747 1.00 0.00 C ATOM 161 C LEU A 10 -15.234 4.781 -0.424 1.00 0.00 C ATOM 162 O LEU A 10 -16.457 4.761 -0.542 1.00 0.00 O ATOM 163 CB LEU A 10 -14.098 2.692 0.315 1.00 0.00 C ATOM 164 CG LEU A 10 -12.828 2.175 0.990 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.135 1.687 2.400 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.203 1.061 0.161 1.00 0.00 C ATOM 0 H LEU A 10 -16.403 3.692 1.648 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.683 4.672 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.906 1.989 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.939 2.698 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.113 2.995 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.220 1.322 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.540 2.510 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.866 0.879 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.299 0.703 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.912 0.239 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.949 1.442 -0.828 1.00 0.00 H new ATOM 178 N LEU A 11 -14.439 5.378 -1.301 1.00 0.00 N ATOM 179 CA LEU A 11 -14.985 6.053 -2.471 1.00 0.00 C ATOM 180 C LEU A 11 -15.065 5.078 -3.641 1.00 0.00 C ATOM 181 O LEU A 11 -14.133 4.314 -3.884 1.00 0.00 O ATOM 182 CB LEU A 11 -14.131 7.269 -2.841 1.00 0.00 C ATOM 183 CG LEU A 11 -14.870 8.609 -2.827 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.490 8.862 -1.462 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.928 9.743 -3.204 1.00 0.00 C ATOM 0 H LEU A 11 -13.422 5.409 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.989 6.405 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.291 7.328 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.714 7.112 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.670 8.567 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.011 9.819 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.197 8.066 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.706 8.883 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.471 10.688 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.106 9.786 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.531 9.569 -4.204 1.00 0.00 H new ATOM 197 N LYS A 12 -16.187 5.095 -4.359 1.00 0.00 N ATOM 198 CA LYS A 12 -16.377 4.196 -5.493 1.00 0.00 C ATOM 199 C LYS A 12 -16.746 4.968 -6.757 1.00 0.00 C ATOM 200 O LYS A 12 -17.826 5.551 -6.848 1.00 0.00 O ATOM 201 CB LYS A 12 -17.463 3.164 -5.172 1.00 0.00 C ATOM 202 CG LYS A 12 -17.811 2.248 -6.337 1.00 0.00 C ATOM 203 CD LYS A 12 -16.738 1.194 -6.559 1.00 0.00 C ATOM 204 CE LYS A 12 -15.970 1.440 -7.848 1.00 0.00 C ATOM 205 NZ LYS A 12 -16.835 1.285 -9.050 1.00 0.00 N ATOM 0 H LYS A 12 -16.973 5.718 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.434 3.681 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.133 2.555 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.364 3.688 -4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.767 1.760 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.933 2.841 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.046 1.195 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.198 0.207 -6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.547 2.445 -7.832 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.134 0.744 -7.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.274 0.893 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.622 0.641 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.214 2.213 -9.327 1.00 0.00 H new ATOM 219 N ARG A 13 -15.841 4.957 -7.729 1.00 0.00 N ATOM 220 CA ARG A 13 -16.063 5.648 -8.996 1.00 0.00 C ATOM 221 C ARG A 13 -17.329 5.138 -9.678 1.00 0.00 C ATOM 222 O ARG A 13 -17.690 3.970 -9.546 1.00 0.00 O ATOM 223 CB ARG A 13 -14.860 5.456 -9.921 1.00 0.00 C ATOM 224 CG ARG A 13 -14.351 4.023 -9.963 1.00 0.00 C ATOM 225 CD ARG A 13 -13.530 3.757 -11.215 1.00 0.00 C ATOM 226 NE ARG A 13 -13.869 2.476 -11.831 1.00 0.00 N ATOM 227 CZ ARG A 13 -13.124 1.877 -12.755 1.00 0.00 C ATOM 228 NH1 ARG A 13 -11.995 2.437 -13.172 1.00 0.00 N ATOM 229 NH2 ARG A 13 -13.505 0.714 -13.263 1.00 0.00 N ATOM 0 H ARG A 13 -14.944 4.476 -7.664 1.00 0.00 H new ATOM 0 HA ARG A 13 -16.187 6.710 -8.786 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.134 5.766 -10.930 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.052 6.111 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.743 3.826 -9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.196 3.335 -9.928 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.695 4.560 -11.934 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.470 3.768 -10.962 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.729 2.014 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.695 3.331 -12.783 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.427 1.973 -13.881 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.370 0.278 -12.945 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.933 0.255 -13.972 1.00 0.00 H new ATOM 319 N LYS A 20 -14.051 10.952 -13.749 1.00 0.00 N ATOM 320 CA LYS A 20 -14.343 10.055 -12.636 1.00 0.00 C ATOM 321 C LYS A 20 -15.384 10.662 -11.698 1.00 0.00 C ATOM 322 O LYS A 20 -15.665 11.858 -11.750 1.00 0.00 O ATOM 323 CB LYS A 20 -13.063 9.735 -11.859 1.00 0.00 C ATOM 324 CG LYS A 20 -12.457 8.380 -12.199 1.00 0.00 C ATOM 325 CD LYS A 20 -13.477 7.256 -12.076 1.00 0.00 C ATOM 326 CE LYS A 20 -13.693 6.548 -13.403 1.00 0.00 C ATOM 327 NZ LYS A 20 -12.478 5.804 -13.840 1.00 0.00 N ATOM 0 HA LYS A 20 -14.750 9.132 -13.048 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.325 10.512 -12.058 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.280 9.767 -10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.063 8.403 -13.215 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.616 8.181 -11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.138 6.537 -11.330 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.425 7.661 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.530 5.856 -13.313 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.965 7.279 -14.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.754 5.037 -14.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.831 6.454 -14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.000 5.402 -13.009 1.00 0.00 H new ATOM 341 N GLU A 21 -15.945 9.820 -10.838 1.00 0.00 N ATOM 342 CA GLU A 21 -16.950 10.249 -9.877 1.00 0.00 C ATOM 343 C GLU A 21 -17.130 9.184 -8.805 1.00 0.00 C ATOM 344 O GLU A 21 -17.832 8.193 -9.007 1.00 0.00 O ATOM 345 CB GLU A 21 -18.282 10.527 -10.577 1.00 0.00 C ATOM 346 CG GLU A 21 -19.300 11.227 -9.692 1.00 0.00 C ATOM 347 CD GLU A 21 -20.580 11.564 -10.431 1.00 0.00 C ATOM 348 OE1 GLU A 21 -20.493 12.100 -11.556 1.00 0.00 O ATOM 349 OE2 GLU A 21 -21.669 11.293 -9.885 1.00 0.00 O ATOM 0 H GLU A 21 -15.717 8.827 -10.788 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.611 11.173 -9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.098 11.140 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.703 9.584 -10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.534 10.590 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.862 12.143 -9.295 1.00 0.00 H new ATOM 356 N TRP A 22 -16.471 9.388 -7.675 1.00 0.00 N ATOM 357 CA TRP A 22 -16.529 8.443 -6.571 1.00 0.00 C ATOM 358 C TRP A 22 -17.555 8.869 -5.528 1.00 0.00 C ATOM 359 O TRP A 22 -17.628 10.038 -5.154 1.00 0.00 O ATOM 360 CB TRP A 22 -15.148 8.310 -5.924 1.00 0.00 C ATOM 361 CG TRP A 22 -14.031 8.178 -6.915 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.712 9.052 -7.916 1.00 0.00 C ATOM 363 CD2 TRP A 22 -13.079 7.109 -6.999 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.627 8.589 -8.619 1.00 0.00 N ATOM 365 CE2 TRP A 22 -12.222 7.400 -8.076 1.00 0.00 C ATOM 366 CE3 TRP A 22 -12.869 5.933 -6.271 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -11.176 6.561 -8.440 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.827 5.102 -6.637 1.00 0.00 C ATOM 369 CH2 TRP A 22 -10.997 5.421 -7.708 1.00 0.00 C ATOM 0 H TRP A 22 -15.886 10.205 -7.498 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.837 7.477 -6.970 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -14.965 9.182 -5.296 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -15.146 7.439 -5.268 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -14.237 9.973 -8.124 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.194 9.055 -9.416 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.509 5.679 -5.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.529 6.801 -9.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.654 4.191 -6.083 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.191 4.750 -7.967 1.00 0.00 H new ATOM 380 N LYS A 23 -18.342 7.907 -5.059 1.00 0.00 N ATOM 381 CA LYS A 23 -19.363 8.172 -4.054 1.00 0.00 C ATOM 382 C LYS A 23 -19.016 7.482 -2.739 1.00 0.00 C ATOM 383 O LYS A 23 -18.271 6.502 -2.720 1.00 0.00 O ATOM 384 CB LYS A 23 -20.732 7.702 -4.550 1.00 0.00 C ATOM 385 CG LYS A 23 -21.587 8.818 -5.128 1.00 0.00 C ATOM 386 CD LYS A 23 -22.429 8.328 -6.295 1.00 0.00 C ATOM 387 CE LYS A 23 -23.805 7.869 -5.838 1.00 0.00 C ATOM 388 NZ LYS A 23 -24.016 6.416 -6.082 1.00 0.00 N ATOM 0 H LYS A 23 -18.291 6.934 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.401 9.247 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.589 6.934 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.268 7.236 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -22.238 9.218 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.946 9.635 -5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.536 9.127 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.917 7.505 -6.794 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.923 8.079 -4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.571 8.440 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -24.965 6.144 -5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -23.929 6.219 -7.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -23.301 5.869 -5.561 1.00 0.00 H new ATOM 402 N LYS A 24 -19.557 8.000 -1.642 1.00 0.00 N ATOM 403 CA LYS A 24 -19.299 7.431 -0.324 1.00 0.00 C ATOM 404 C LYS A 24 -19.854 6.013 -0.219 1.00 0.00 C ATOM 405 O LYS A 24 -21.059 5.795 -0.354 1.00 0.00 O ATOM 406 CB LYS A 24 -19.908 8.319 0.763 1.00 0.00 C ATOM 407 CG LYS A 24 -18.874 9.101 1.558 1.00 0.00 C ATOM 408 CD LYS A 24 -17.969 8.176 2.354 1.00 0.00 C ATOM 409 CE LYS A 24 -16.889 8.954 3.089 1.00 0.00 C ATOM 410 NZ LYS A 24 -17.452 9.774 4.197 1.00 0.00 N ATOM 0 H LYS A 24 -20.176 8.811 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.219 7.383 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.605 9.019 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.486 7.698 1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.272 9.705 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.379 9.790 2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.564 7.611 3.071 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.506 7.452 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.151 8.260 3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.367 9.603 2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.676 10.208 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.060 10.520 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.014 9.167 4.827 1.00 0.00 H new ATOM 424 N LYS A 25 -18.967 5.055 0.026 1.00 0.00 N ATOM 425 CA LYS A 25 -19.362 3.656 0.156 1.00 0.00 C ATOM 426 C LYS A 25 -19.004 3.120 1.537 1.00 0.00 C ATOM 427 O LYS A 25 -18.486 3.847 2.383 1.00 0.00 O ATOM 428 CB LYS A 25 -18.684 2.805 -0.923 1.00 0.00 C ATOM 429 CG LYS A 25 -19.130 3.142 -2.335 1.00 0.00 C ATOM 430 CD LYS A 25 -20.613 2.870 -2.530 1.00 0.00 C ATOM 431 CE LYS A 25 -21.067 3.237 -3.933 1.00 0.00 C ATOM 432 NZ LYS A 25 -21.524 4.651 -4.015 1.00 0.00 N ATOM 0 H LYS A 25 -17.967 5.222 0.139 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.443 3.597 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.604 2.936 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.891 1.753 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.921 4.191 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.554 2.554 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -20.818 1.816 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.188 3.440 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.247 3.079 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.878 2.575 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.422 4.993 -4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.523 4.710 -3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.948 5.239 -3.380 1.00 0.00 H new ATOM 446 N TYR A 26 -19.288 1.844 1.754 1.00 0.00 N ATOM 447 CA TYR A 26 -19.002 1.197 3.029 1.00 0.00 C ATOM 448 C TYR A 26 -18.369 -0.169 2.794 1.00 0.00 C ATOM 449 O TYR A 26 -19.004 -1.062 2.241 1.00 0.00 O ATOM 450 CB TYR A 26 -20.298 1.050 3.830 1.00 0.00 C ATOM 451 CG TYR A 26 -20.098 0.605 5.259 1.00 0.00 C ATOM 452 CD1 TYR A 26 -20.038 -0.743 5.585 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.981 1.534 6.284 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.866 -1.153 6.893 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.807 1.133 7.594 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.751 -0.212 7.893 1.00 0.00 C ATOM 457 OH TYR A 26 -19.579 -0.617 9.198 1.00 0.00 O ATOM 0 H TYR A 26 -19.719 1.232 1.060 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.300 1.811 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.822 2.006 3.829 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.944 0.332 3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.127 -1.483 4.804 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -20.027 2.588 6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.822 -2.206 7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.715 1.868 8.380 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.428 -0.958 9.549 1.00 0.00 H new ATOM 467 N VAL A 27 -17.112 -0.327 3.202 1.00 0.00 N ATOM 468 CA VAL A 27 -16.407 -1.592 3.012 1.00 0.00 C ATOM 469 C VAL A 27 -15.962 -2.197 4.328 1.00 0.00 C ATOM 470 O VAL A 27 -15.576 -1.483 5.256 1.00 0.00 O ATOM 471 CB VAL A 27 -15.151 -1.433 2.125 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.834 -2.741 1.419 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.334 -0.309 1.116 1.00 0.00 C ATOM 0 H VAL A 27 -16.564 0.399 3.663 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.126 -2.249 2.522 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.310 -1.172 2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.947 -2.614 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.650 -3.519 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.678 -3.030 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.436 -0.219 0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.188 -0.530 0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.510 0.629 1.644 1.00 0.00 H new ATOM 483 N THR A 28 -15.975 -3.521 4.390 1.00 0.00 N ATOM 484 CA THR A 28 -15.527 -4.225 5.577 1.00 0.00 C ATOM 485 C THR A 28 -14.700 -5.447 5.208 1.00 0.00 C ATOM 486 O THR A 28 -15.225 -6.445 4.709 1.00 0.00 O ATOM 487 CB THR A 28 -16.693 -4.659 6.463 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.474 -3.543 6.853 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.228 -5.371 7.721 1.00 0.00 C ATOM 0 H THR A 28 -16.291 -4.126 3.632 1.00 0.00 H new ATOM 0 HA THR A 28 -14.911 -3.522 6.138 1.00 0.00 H new ATOM 0 HB THR A 28 -17.287 -5.349 5.863 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.126 -3.821 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.094 -5.659 8.317 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.663 -6.262 7.447 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.593 -4.703 8.303 1.00 0.00 H new ATOM 497 N LEU A 29 -13.414 -5.368 5.495 1.00 0.00 N ATOM 498 CA LEU A 29 -12.506 -6.463 5.249 1.00 0.00 C ATOM 499 C LEU A 29 -12.483 -7.343 6.482 1.00 0.00 C ATOM 500 O LEU A 29 -12.088 -6.894 7.554 1.00 0.00 O ATOM 501 CB LEU A 29 -11.102 -5.941 4.950 1.00 0.00 C ATOM 502 CG LEU A 29 -10.460 -6.523 3.697 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.306 -8.027 3.833 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.283 -6.177 2.467 1.00 0.00 C ATOM 0 H LEU A 29 -12.974 -4.544 5.904 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.841 -7.034 4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.146 -4.857 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.460 -6.156 5.804 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.469 -6.085 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.846 -8.429 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.675 -8.252 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.286 -8.482 3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.810 -6.601 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.287 -6.588 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.344 -5.094 2.363 1.00 0.00 H new ATOM 516 N SER A 30 -12.932 -8.576 6.337 1.00 0.00 N ATOM 517 CA SER A 30 -12.982 -9.497 7.463 1.00 0.00 C ATOM 518 C SER A 30 -11.905 -10.563 7.352 1.00 0.00 C ATOM 519 O SER A 30 -11.402 -10.844 6.264 1.00 0.00 O ATOM 520 CB SER A 30 -14.360 -10.158 7.547 1.00 0.00 C ATOM 521 OG SER A 30 -14.350 -11.245 8.456 1.00 0.00 O ATOM 0 H SER A 30 -13.267 -8.964 5.455 1.00 0.00 H new ATOM 0 HA SER A 30 -12.802 -8.922 8.372 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.101 -9.423 7.862 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.659 -10.509 6.559 1.00 0.00 H new ATOM 0 HG SER A 30 -15.242 -11.649 8.493 1.00 0.00 H new ATOM 527 N SER A 31 -11.561 -11.162 8.487 1.00 0.00 N ATOM 528 CA SER A 31 -10.548 -12.208 8.511 1.00 0.00 C ATOM 529 C SER A 31 -11.096 -13.521 7.943 1.00 0.00 C ATOM 530 O SER A 31 -10.394 -14.533 7.918 1.00 0.00 O ATOM 531 CB SER A 31 -10.039 -12.433 9.936 1.00 0.00 C ATOM 532 OG SER A 31 -8.693 -12.878 9.929 1.00 0.00 O ATOM 0 H SER A 31 -11.967 -10.942 9.397 1.00 0.00 H new ATOM 0 HA SER A 31 -9.719 -11.879 7.885 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.117 -11.506 10.505 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.667 -13.169 10.439 1.00 0.00 H new ATOM 0 HG SER A 31 -8.389 -13.014 10.851 1.00 0.00 H new ATOM 538 N ASN A 32 -12.350 -13.501 7.484 1.00 0.00 N ATOM 539 CA ASN A 32 -12.985 -14.687 6.917 1.00 0.00 C ATOM 540 C ASN A 32 -12.753 -14.771 5.416 1.00 0.00 C ATOM 541 O ASN A 32 -13.548 -15.365 4.686 1.00 0.00 O ATOM 542 CB ASN A 32 -14.486 -14.681 7.218 1.00 0.00 C ATOM 543 CG ASN A 32 -14.975 -16.017 7.744 1.00 0.00 C ATOM 544 OD1 ASN A 32 -14.229 -16.995 7.776 1.00 0.00 O ATOM 545 ND2 ASN A 32 -16.235 -16.063 8.159 1.00 0.00 N ATOM 0 H ASN A 32 -12.945 -12.672 7.495 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.532 -15.564 7.380 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.704 -13.903 7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.035 -14.428 6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.621 -16.934 8.523 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.818 -15.227 8.114 1.00 0.00 H new ATOM 552 N GLY A 33 -11.664 -14.168 4.958 1.00 0.00 N ATOM 553 CA GLY A 33 -11.351 -14.181 3.544 1.00 0.00 C ATOM 554 C GLY A 33 -12.505 -13.678 2.708 1.00 0.00 C ATOM 555 O GLY A 33 -12.805 -14.232 1.650 1.00 0.00 O ATOM 0 H GLY A 33 -10.992 -13.670 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.473 -13.562 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.096 -15.195 3.238 1.00 0.00 H new ATOM 559 N PHE A 34 -13.162 -12.629 3.188 1.00 0.00 N ATOM 560 CA PHE A 34 -14.298 -12.060 2.483 1.00 0.00 C ATOM 561 C PHE A 34 -14.282 -10.537 2.524 1.00 0.00 C ATOM 562 O PHE A 34 -14.268 -9.932 3.597 1.00 0.00 O ATOM 563 CB PHE A 34 -15.604 -12.580 3.081 1.00 0.00 C ATOM 564 CG PHE A 34 -16.472 -13.281 2.083 1.00 0.00 C ATOM 565 CD1 PHE A 34 -16.077 -14.489 1.537 1.00 0.00 C ATOM 566 CD2 PHE A 34 -17.679 -12.731 1.688 1.00 0.00 C ATOM 567 CE1 PHE A 34 -16.872 -15.139 0.612 1.00 0.00 C ATOM 568 CE2 PHE A 34 -18.479 -13.375 0.765 1.00 0.00 C ATOM 569 CZ PHE A 34 -18.075 -14.581 0.226 1.00 0.00 C ATOM 0 H PHE A 34 -12.926 -12.158 4.061 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.226 -12.369 1.440 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.375 -13.265 3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.157 -11.745 3.511 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.137 -14.929 1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -17.999 -11.788 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.553 -16.081 0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -19.419 -12.936 0.465 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.699 -15.087 -0.496 1.00 0.00 H new ATOM 579 N LEU A 35 -14.304 -9.926 1.348 1.00 0.00 N ATOM 580 CA LEU A 35 -14.315 -8.476 1.237 1.00 0.00 C ATOM 581 C LEU A 35 -15.724 -8.001 0.897 1.00 0.00 C ATOM 582 O LEU A 35 -16.265 -8.346 -0.153 1.00 0.00 O ATOM 583 CB LEU A 35 -13.317 -8.022 0.164 1.00 0.00 C ATOM 584 CG LEU A 35 -13.594 -6.651 -0.461 1.00 0.00 C ATOM 585 CD1 LEU A 35 -13.789 -5.594 0.618 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.465 -6.257 -1.402 1.00 0.00 C ATOM 0 H LEU A 35 -14.315 -10.416 0.453 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.016 -8.037 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.320 -8.006 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.302 -8.767 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.516 -6.718 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.984 -4.629 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.634 -5.870 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.888 -5.526 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.678 -5.281 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.528 -6.210 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.379 -6.998 -2.197 1.00 0.00 H new ATOM 598 N LEU A 36 -16.326 -7.226 1.792 1.00 0.00 N ATOM 599 CA LEU A 36 -17.682 -6.738 1.570 1.00 0.00 C ATOM 600 C LEU A 36 -17.721 -5.227 1.392 1.00 0.00 C ATOM 601 O LEU A 36 -16.970 -4.492 2.032 1.00 0.00 O ATOM 602 CB LEU A 36 -18.590 -7.144 2.734 1.00 0.00 C ATOM 603 CG LEU A 36 -18.275 -8.502 3.362 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.373 -8.332 4.574 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.560 -9.225 3.743 1.00 0.00 C ATOM 0 H LEU A 36 -15.902 -6.925 2.669 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.043 -7.194 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.525 -6.380 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.622 -7.155 2.383 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.747 -9.109 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.159 -9.309 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.440 -7.858 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.872 -7.707 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.316 -10.190 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.116 -8.624 4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.168 -9.380 2.852 1.00 0.00 H new ATOM 617 N TYR A 37 -18.622 -4.771 0.527 1.00 0.00 N ATOM 618 CA TYR A 37 -18.787 -3.349 0.271 1.00 0.00 C ATOM 619 C TYR A 37 -20.232 -3.051 -0.131 1.00 0.00 C ATOM 620 O TYR A 37 -20.767 -3.657 -1.060 1.00 0.00 O ATOM 621 CB TYR A 37 -17.790 -2.871 -0.799 1.00 0.00 C ATOM 622 CG TYR A 37 -18.361 -2.729 -2.195 1.00 0.00 C ATOM 623 CD1 TYR A 37 -18.723 -3.845 -2.937 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.523 -1.475 -2.775 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.231 -3.719 -4.216 1.00 0.00 C ATOM 626 CE2 TYR A 37 -19.033 -1.340 -4.053 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.384 -2.465 -4.769 1.00 0.00 C ATOM 628 OH TYR A 37 -19.890 -2.335 -6.042 1.00 0.00 O ATOM 0 H TYR A 37 -19.250 -5.370 -0.009 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.572 -2.797 1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.384 -1.908 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.956 -3.572 -0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.606 -4.829 -2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.246 -0.592 -2.218 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.507 -4.598 -4.780 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.156 -0.359 -4.488 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.935 -1.386 -6.281 1.00 0.00 H new ATOM 638 N HIS A 38 -20.860 -2.131 0.593 1.00 0.00 N ATOM 639 CA HIS A 38 -22.245 -1.766 0.332 1.00 0.00 C ATOM 640 C HIS A 38 -22.350 -0.326 -0.166 1.00 0.00 C ATOM 641 O HIS A 38 -21.445 0.482 0.044 1.00 0.00 O ATOM 642 CB HIS A 38 -23.089 -1.935 1.599 1.00 0.00 C ATOM 643 CG HIS A 38 -22.931 -3.263 2.284 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.707 -3.869 2.502 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.858 -4.102 2.812 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.892 -5.018 3.127 1.00 0.00 C ATOM 647 NE2 HIS A 38 -23.185 -5.182 3.327 1.00 0.00 N ATOM 0 H HIS A 38 -20.430 -1.624 1.367 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.624 -2.430 -0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -22.827 -1.145 2.302 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.139 -1.797 1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.927 -3.948 2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -21.115 -5.707 3.424 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -23.616 -5.982 3.790 1.00 0.00 H new ATOM 656 N PRO A 39 -23.467 0.011 -0.837 1.00 0.00 N ATOM 657 CA PRO A 39 -23.697 1.360 -1.371 1.00 0.00 C ATOM 658 C PRO A 39 -23.439 2.463 -0.346 1.00 0.00 C ATOM 659 O PRO A 39 -23.060 3.576 -0.707 1.00 0.00 O ATOM 660 CB PRO A 39 -25.174 1.333 -1.763 1.00 0.00 C ATOM 661 CG PRO A 39 -25.459 -0.097 -2.063 1.00 0.00 C ATOM 662 CD PRO A 39 -24.590 -0.898 -1.132 1.00 0.00 C ATOM 0 HA PRO A 39 -23.019 1.586 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.805 1.701 -0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.365 1.965 -2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.513 -0.326 -1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.234 -0.330 -3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.126 -1.180 -0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.247 -1.821 -1.599 1.00 0.00 H new ATOM 670 N SER A 40 -23.649 2.155 0.932 1.00 0.00 N ATOM 671 CA SER A 40 -23.437 3.137 1.993 1.00 0.00 C ATOM 672 C SER A 40 -23.669 2.526 3.372 1.00 0.00 C ATOM 673 O SER A 40 -23.826 1.313 3.506 1.00 0.00 O ATOM 674 CB SER A 40 -24.364 4.339 1.794 1.00 0.00 C ATOM 675 OG SER A 40 -23.746 5.538 2.230 1.00 0.00 O ATOM 0 H SER A 40 -23.963 1.241 1.256 1.00 0.00 H new ATOM 0 HA SER A 40 -22.400 3.467 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 40 -24.631 4.426 0.741 1.00 0.00 H new ATOM 0 HB3 SER A 40 -25.291 4.183 2.346 1.00 0.00 H new ATOM 0 HG SER A 40 -24.358 6.291 2.091 1.00 0.00 H new ATOM 681 N ILE A 41 -23.689 3.380 4.394 1.00 0.00 N ATOM 682 CA ILE A 41 -23.901 2.928 5.765 1.00 0.00 C ATOM 683 C ILE A 41 -25.296 2.332 5.937 1.00 0.00 C ATOM 684 O ILE A 41 -25.453 1.282 6.554 1.00 0.00 O ATOM 685 CB ILE A 41 -23.688 4.078 6.776 1.00 0.00 C ATOM 686 CG1 ILE A 41 -22.198 4.410 6.882 1.00 0.00 C ATOM 687 CG2 ILE A 41 -24.245 3.711 8.147 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.709 5.348 5.801 1.00 0.00 C ATOM 0 H ILE A 41 -23.561 4.387 4.297 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.163 2.152 5.967 1.00 0.00 H new ATOM 0 HB ILE A 41 -24.226 4.955 6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -22.002 4.858 7.856 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.624 3.485 6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -24.082 4.537 8.839 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -25.314 3.512 8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.738 2.821 8.519 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.645 5.539 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -21.872 4.894 4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -22.257 6.288 5.860 1.00 0.00 H new ATOM 700 N ASN A 42 -26.306 2.994 5.377 1.00 0.00 N ATOM 701 CA ASN A 42 -27.678 2.500 5.468 1.00 0.00 C ATOM 702 C ASN A 42 -27.736 1.041 5.017 1.00 0.00 C ATOM 703 O ASN A 42 -28.587 0.268 5.455 1.00 0.00 O ATOM 704 CB ASN A 42 -28.609 3.352 4.603 1.00 0.00 C ATOM 705 CG ASN A 42 -28.406 4.838 4.824 1.00 0.00 C ATOM 706 OD1 ASN A 42 -27.777 5.253 5.797 1.00 0.00 O ATOM 707 ND2 ASN A 42 -28.941 5.649 3.918 1.00 0.00 N ATOM 0 H ASN A 42 -26.202 3.867 4.859 1.00 0.00 H new ATOM 0 HA ASN A 42 -28.007 2.567 6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -28.440 3.117 3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -29.644 3.093 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -28.838 6.659 4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -29.455 5.261 3.127 1.00 0.00 H new ATOM 714 N ASP A 43 -26.815 0.667 4.141 1.00 0.00 N ATOM 715 CA ASP A 43 -26.752 -0.696 3.641 1.00 0.00 C ATOM 716 C ASP A 43 -26.131 -1.627 4.679 1.00 0.00 C ATOM 717 O ASP A 43 -26.578 -2.756 4.855 1.00 0.00 O ATOM 718 CB ASP A 43 -25.958 -0.743 2.339 1.00 0.00 C ATOM 719 CG ASP A 43 -26.530 0.184 1.283 1.00 0.00 C ATOM 720 OD1 ASP A 43 -26.348 1.414 1.409 1.00 0.00 O ATOM 721 OD2 ASP A 43 -27.159 -0.320 0.329 1.00 0.00 O ATOM 0 H ASP A 43 -26.101 1.290 3.762 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.768 -1.038 3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -24.922 -0.469 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.950 -1.764 1.957 1.00 0.00 H new ATOM 726 N TYR A 44 -25.101 -1.140 5.368 1.00 0.00 N ATOM 727 CA TYR A 44 -24.425 -1.929 6.396 1.00 0.00 C ATOM 728 C TYR A 44 -25.324 -2.071 7.623 1.00 0.00 C ATOM 729 O TYR A 44 -25.561 -3.173 8.117 1.00 0.00 O ATOM 730 CB TYR A 44 -23.091 -1.267 6.775 1.00 0.00 C ATOM 731 CG TYR A 44 -22.794 -1.250 8.261 1.00 0.00 C ATOM 732 CD1 TYR A 44 -22.361 -2.397 8.916 1.00 0.00 C ATOM 733 CD2 TYR A 44 -22.949 -0.088 9.008 1.00 0.00 C ATOM 734 CE1 TYR A 44 -22.091 -2.388 10.270 1.00 0.00 C ATOM 735 CE2 TYR A 44 -22.680 -0.071 10.364 1.00 0.00 C ATOM 736 CZ TYR A 44 -22.252 -1.223 10.990 1.00 0.00 C ATOM 737 OH TYR A 44 -21.984 -1.210 12.339 1.00 0.00 O ATOM 0 H TYR A 44 -24.717 -0.205 5.234 1.00 0.00 H new ATOM 0 HA TYR A 44 -24.218 -2.924 6.003 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -22.283 -1.789 6.262 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -23.092 -0.241 6.406 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -22.233 -3.312 8.356 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -23.285 0.816 8.521 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -21.755 -3.289 10.763 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.804 0.840 10.930 1.00 0.00 H new ATOM 0 HH TYR A 44 -22.147 -0.312 12.696 1.00 0.00 H new ATOM 747 N ILE A 45 -25.823 -0.939 8.097 1.00 0.00 N ATOM 748 CA ILE A 45 -26.705 -0.894 9.256 1.00 0.00 C ATOM 749 C ILE A 45 -27.939 -1.760 9.034 1.00 0.00 C ATOM 750 O ILE A 45 -28.196 -2.713 9.770 1.00 0.00 O ATOM 751 CB ILE A 45 -27.149 0.567 9.532 1.00 0.00 C ATOM 752 CG1 ILE A 45 -26.061 1.309 10.307 1.00 0.00 C ATOM 753 CG2 ILE A 45 -28.481 0.630 10.281 1.00 0.00 C ATOM 754 CD1 ILE A 45 -26.249 2.811 10.313 1.00 0.00 C ATOM 0 H ILE A 45 -25.628 -0.025 7.689 1.00 0.00 H new ATOM 0 HA ILE A 45 -26.154 -1.279 10.114 1.00 0.00 H new ATOM 0 HB ILE A 45 -27.299 1.055 8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -26.046 0.948 11.335 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -25.090 1.073 9.872 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.753 1.671 10.453 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -29.256 0.146 9.687 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.385 0.118 11.238 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -25.443 3.276 10.880 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -26.234 3.184 9.289 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -27.206 3.056 10.775 1.00 0.00 H new ATOM 766 N HIS A 46 -28.700 -1.391 8.021 1.00 0.00 N ATOM 767 CA HIS A 46 -29.930 -2.084 7.672 1.00 0.00 C ATOM 768 C HIS A 46 -29.654 -3.436 7.017 1.00 0.00 C ATOM 769 O HIS A 46 -30.482 -4.345 7.083 1.00 0.00 O ATOM 770 CB HIS A 46 -30.770 -1.171 6.781 1.00 0.00 C ATOM 771 CG HIS A 46 -30.878 0.219 7.345 1.00 0.00 C ATOM 772 ND1 HIS A 46 -29.939 1.188 7.501 1.00 0.00 N flip ATOM 773 CD2 HIS A 46 -32.038 0.733 7.881 1.00 0.00 C flip ATOM 774 CE1 HIS A 46 -30.541 2.246 8.122 1.00 0.00 C flip ATOM 775 NE2 HIS A 46 -31.801 1.951 8.343 1.00 0.00 N flip ATOM 0 H HIS A 46 -28.484 -0.600 7.414 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.490 -2.306 8.580 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.326 -1.126 5.787 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.768 -1.594 6.666 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -32.990 0.224 7.918 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -30.058 3.175 8.388 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -32.484 2.559 8.795 1.00 0.00 H new ATOM 784 N SER A 47 -28.479 -3.573 6.402 1.00 0.00 N ATOM 785 CA SER A 47 -28.085 -4.825 5.759 1.00 0.00 C ATOM 786 C SER A 47 -28.818 -5.046 4.439 1.00 0.00 C ATOM 787 O SER A 47 -29.683 -5.917 4.335 1.00 0.00 O ATOM 788 CB SER A 47 -28.334 -6.012 6.697 1.00 0.00 C ATOM 789 OG SER A 47 -27.583 -7.144 6.297 1.00 0.00 O ATOM 0 H SER A 47 -27.783 -2.830 6.336 1.00 0.00 H new ATOM 0 HA SER A 47 -27.020 -4.752 5.541 1.00 0.00 H new ATOM 0 HB2 SER A 47 -28.066 -5.736 7.717 1.00 0.00 H new ATOM 0 HB3 SER A 47 -29.396 -6.259 6.702 1.00 0.00 H new ATOM 0 HG SER A 47 -27.758 -7.887 6.912 1.00 0.00 H new ATOM 795 N THR A 48 -28.448 -4.269 3.430 1.00 0.00 N ATOM 796 CA THR A 48 -29.052 -4.396 2.109 1.00 0.00 C ATOM 797 C THR A 48 -28.301 -5.450 1.295 1.00 0.00 C ATOM 798 O THR A 48 -27.688 -6.352 1.866 1.00 0.00 O ATOM 799 CB THR A 48 -29.049 -3.046 1.386 1.00 0.00 C ATOM 800 OG1 THR A 48 -27.732 -2.668 1.031 1.00 0.00 O ATOM 801 CG2 THR A 48 -29.644 -1.926 2.212 1.00 0.00 C ATOM 0 H THR A 48 -27.733 -3.545 3.500 1.00 0.00 H new ATOM 0 HA THR A 48 -30.088 -4.715 2.222 1.00 0.00 H new ATOM 0 HB THR A 48 -29.667 -3.191 0.500 1.00 0.00 H new ATOM 0 HG1 THR A 48 -27.760 -1.846 0.497 1.00 0.00 H new ATOM 0 HG21 THR A 48 -29.612 -0.997 1.643 1.00 0.00 H new ATOM 0 HG22 THR A 48 -30.679 -2.165 2.458 1.00 0.00 H new ATOM 0 HG23 THR A 48 -29.071 -1.808 3.132 1.00 0.00 H new ATOM 809 N HIS A 49 -28.349 -5.339 -0.032 1.00 0.00 N ATOM 810 CA HIS A 49 -27.669 -6.291 -0.912 1.00 0.00 C ATOM 811 C HIS A 49 -26.291 -6.666 -0.372 1.00 0.00 C ATOM 812 O HIS A 49 -25.991 -7.842 -0.165 1.00 0.00 O ATOM 813 CB HIS A 49 -27.536 -5.709 -2.321 1.00 0.00 C ATOM 814 CG HIS A 49 -27.263 -6.743 -3.369 1.00 0.00 C ATOM 815 ND1 HIS A 49 -27.666 -6.609 -4.682 1.00 0.00 N ATOM 816 CD2 HIS A 49 -26.622 -7.934 -3.294 1.00 0.00 C ATOM 817 CE1 HIS A 49 -27.288 -7.674 -5.367 1.00 0.00 C ATOM 818 NE2 HIS A 49 -26.652 -8.491 -4.550 1.00 0.00 N ATOM 0 H HIS A 49 -28.852 -4.599 -0.522 1.00 0.00 H new ATOM 0 HA HIS A 49 -28.275 -7.196 -0.951 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -28.454 -5.179 -2.575 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.731 -4.974 -2.328 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -26.172 -8.365 -2.412 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -27.469 -7.846 -6.418 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -26.248 -9.391 -4.809 1.00 0.00 H new ATOM 827 N GLY A 50 -25.462 -5.658 -0.142 1.00 0.00 N ATOM 828 CA GLY A 50 -24.128 -5.893 0.377 1.00 0.00 C ATOM 829 C GLY A 50 -23.299 -6.777 -0.530 1.00 0.00 C ATOM 830 O GLY A 50 -23.434 -8.000 -0.514 1.00 0.00 O ATOM 0 H GLY A 50 -25.690 -4.677 -0.306 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.620 -4.938 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -24.201 -6.355 1.361 1.00 0.00 H new ATOM 834 N LYS A 51 -22.435 -6.155 -1.322 1.00 0.00 N ATOM 835 CA LYS A 51 -21.575 -6.890 -2.244 1.00 0.00 C ATOM 836 C LYS A 51 -20.432 -7.573 -1.497 1.00 0.00 C ATOM 837 O LYS A 51 -19.896 -7.030 -0.534 1.00 0.00 O ATOM 838 CB LYS A 51 -21.016 -5.949 -3.313 1.00 0.00 C ATOM 839 CG LYS A 51 -21.562 -6.219 -4.707 1.00 0.00 C ATOM 840 CD LYS A 51 -20.820 -7.358 -5.385 1.00 0.00 C ATOM 841 CE LYS A 51 -21.763 -8.235 -6.192 1.00 0.00 C ATOM 842 NZ LYS A 51 -21.038 -9.031 -7.221 1.00 0.00 N ATOM 0 H LYS A 51 -22.310 -5.143 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.176 -7.659 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.245 -4.920 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.930 -6.040 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.623 -6.462 -4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.478 -5.317 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.049 -6.952 -6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.314 -7.963 -4.633 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.296 -8.909 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.513 -7.611 -6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.717 -9.616 -7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.550 -8.388 -7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.340 -9.646 -6.756 1.00 0.00 H new ATOM 856 N GLU A 52 -20.065 -8.768 -1.953 1.00 0.00 N ATOM 857 CA GLU A 52 -18.983 -9.529 -1.334 1.00 0.00 C ATOM 858 C GLU A 52 -18.112 -10.186 -2.397 1.00 0.00 C ATOM 859 O GLU A 52 -18.614 -10.793 -3.343 1.00 0.00 O ATOM 860 CB GLU A 52 -19.549 -10.593 -0.389 1.00 0.00 C ATOM 861 CG GLU A 52 -20.721 -10.106 0.447 1.00 0.00 C ATOM 862 CD GLU A 52 -21.411 -11.232 1.193 1.00 0.00 C ATOM 863 OE1 GLU A 52 -20.806 -11.773 2.141 1.00 0.00 O ATOM 864 OE2 GLU A 52 -22.556 -11.570 0.829 1.00 0.00 O ATOM 0 H GLU A 52 -20.502 -9.231 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.368 -8.838 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -19.866 -11.456 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -18.756 -10.934 0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.369 -9.363 1.163 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.443 -9.608 -0.200 1.00 0.00 H new ATOM 871 N MET A 53 -16.804 -10.051 -2.233 1.00 0.00 N ATOM 872 CA MET A 53 -15.847 -10.620 -3.172 1.00 0.00 C ATOM 873 C MET A 53 -14.951 -11.641 -2.474 1.00 0.00 C ATOM 874 O MET A 53 -14.262 -11.315 -1.507 1.00 0.00 O ATOM 875 CB MET A 53 -15.011 -9.498 -3.797 1.00 0.00 C ATOM 876 CG MET A 53 -13.606 -9.914 -4.212 1.00 0.00 C ATOM 877 SD MET A 53 -13.027 -9.061 -5.691 1.00 0.00 S ATOM 878 CE MET A 53 -13.859 -7.490 -5.510 1.00 0.00 C ATOM 0 H MET A 53 -16.379 -9.549 -1.453 1.00 0.00 H new ATOM 0 HA MET A 53 -16.389 -11.138 -3.963 1.00 0.00 H new ATOM 0 HB2 MET A 53 -15.536 -9.115 -4.672 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.938 -8.677 -3.084 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.917 -9.715 -3.391 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.589 -10.989 -4.389 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.398 -6.756 -6.171 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.911 -7.603 -5.771 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.776 -7.151 -4.477 1.00 0.00 H new ATOM 888 N ASP A 54 -14.961 -12.873 -2.974 1.00 0.00 N ATOM 889 CA ASP A 54 -14.142 -13.934 -2.398 1.00 0.00 C ATOM 890 C ASP A 54 -12.672 -13.534 -2.403 1.00 0.00 C ATOM 891 O ASP A 54 -12.145 -13.086 -3.423 1.00 0.00 O ATOM 892 CB ASP A 54 -14.334 -15.238 -3.175 1.00 0.00 C ATOM 893 CG ASP A 54 -14.217 -16.463 -2.287 1.00 0.00 C ATOM 894 OD1 ASP A 54 -14.837 -16.471 -1.203 1.00 0.00 O ATOM 895 OD2 ASP A 54 -13.506 -17.413 -2.677 1.00 0.00 O ATOM 0 H ASP A 54 -15.525 -13.160 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.458 -14.091 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.313 -15.232 -3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.591 -15.297 -3.970 1.00 0.00 H new ATOM 900 N LEU A 55 -12.017 -13.684 -1.259 1.00 0.00 N ATOM 901 CA LEU A 55 -10.610 -13.324 -1.137 1.00 0.00 C ATOM 902 C LEU A 55 -9.702 -14.531 -1.353 1.00 0.00 C ATOM 903 O LEU A 55 -8.598 -14.586 -0.817 1.00 0.00 O ATOM 904 CB LEU A 55 -10.339 -12.711 0.236 1.00 0.00 C ATOM 905 CG LEU A 55 -10.670 -11.224 0.360 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.723 -10.808 1.824 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.653 -10.384 -0.402 1.00 0.00 C ATOM 0 H LEU A 55 -12.436 -14.051 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.388 -12.591 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.916 -13.259 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.286 -12.854 0.479 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.653 -11.052 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.960 -9.746 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.491 -11.385 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.756 -10.995 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.905 -9.328 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.658 -10.559 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.668 -10.662 -1.456 1.00 0.00 H new ATOM 919 N LEU A 56 -10.168 -15.494 -2.140 1.00 0.00 N ATOM 920 CA LEU A 56 -9.382 -16.691 -2.419 1.00 0.00 C ATOM 921 C LEU A 56 -8.389 -16.441 -3.548 1.00 0.00 C ATOM 922 O LEU A 56 -7.177 -16.535 -3.354 1.00 0.00 O ATOM 923 CB LEU A 56 -10.301 -17.861 -2.778 1.00 0.00 C ATOM 924 CG LEU A 56 -9.856 -19.220 -2.237 1.00 0.00 C ATOM 925 CD1 LEU A 56 -10.602 -19.557 -0.954 1.00 0.00 C ATOM 926 CD2 LEU A 56 -10.072 -20.307 -3.280 1.00 0.00 C ATOM 0 H LEU A 56 -11.081 -15.470 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.822 -16.944 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.301 -17.647 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.376 -17.925 -3.864 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.791 -19.166 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.271 -20.528 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.397 -18.794 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.673 -19.591 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.750 -21.267 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.130 -20.359 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.492 -20.075 -4.173 1.00 0.00 H new ATOM 938 N ARG A 57 -8.910 -16.119 -4.727 1.00 0.00 N ATOM 939 CA ARG A 57 -8.069 -15.852 -5.887 1.00 0.00 C ATOM 940 C ARG A 57 -8.233 -14.408 -6.353 1.00 0.00 C ATOM 941 O ARG A 57 -8.477 -14.146 -7.531 1.00 0.00 O ATOM 942 CB ARG A 57 -8.412 -16.815 -7.026 1.00 0.00 C ATOM 943 CG ARG A 57 -7.944 -18.240 -6.776 1.00 0.00 C ATOM 944 CD ARG A 57 -8.734 -19.242 -7.603 1.00 0.00 C ATOM 945 NE ARG A 57 -9.995 -19.607 -6.962 1.00 0.00 N ATOM 946 CZ ARG A 57 -11.199 -19.284 -7.435 1.00 0.00 C ATOM 947 NH1 ARG A 57 -11.320 -18.582 -8.556 1.00 0.00 N ATOM 948 NH2 ARG A 57 -12.288 -19.664 -6.784 1.00 0.00 N ATOM 0 H ARG A 57 -9.911 -16.037 -4.904 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.030 -16.005 -5.597 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.491 -16.817 -7.177 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.961 -16.449 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.884 -18.323 -7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.049 -18.478 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.936 -18.820 -8.587 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.133 -20.138 -7.758 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.951 -20.144 -6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.487 -18.285 -9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.246 -18.340 -8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.205 -20.203 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.210 -19.418 -7.145 1.00 0.00 H new ATOM 962 N THR A 58 -8.101 -13.474 -5.416 1.00 0.00 N ATOM 963 CA THR A 58 -8.236 -12.055 -5.723 1.00 0.00 C ATOM 964 C THR A 58 -6.871 -11.392 -5.861 1.00 0.00 C ATOM 965 O THR A 58 -5.860 -11.924 -5.403 1.00 0.00 O ATOM 966 CB THR A 58 -9.045 -11.348 -4.634 1.00 0.00 C ATOM 967 OG1 THR A 58 -8.986 -12.074 -3.421 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.503 -11.167 -4.991 1.00 0.00 C ATOM 0 H THR A 58 -7.900 -13.675 -4.436 1.00 0.00 H new ATOM 0 HA THR A 58 -8.761 -11.968 -6.674 1.00 0.00 H new ATOM 0 HB THR A 58 -8.591 -10.362 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.522 -12.890 -3.502 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.017 -10.659 -4.175 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.584 -10.569 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.961 -12.142 -5.157 1.00 0.00 H new ATOM 976 N THR A 59 -6.853 -10.223 -6.491 1.00 0.00 N ATOM 977 CA THR A 59 -5.618 -9.478 -6.685 1.00 0.00 C ATOM 978 C THR A 59 -5.815 -8.006 -6.339 1.00 0.00 C ATOM 979 O THR A 59 -6.941 -7.551 -6.136 1.00 0.00 O ATOM 980 CB THR A 59 -5.134 -9.613 -8.131 1.00 0.00 C ATOM 981 OG1 THR A 59 -5.734 -10.733 -8.758 1.00 0.00 O ATOM 982 CG2 THR A 59 -3.635 -9.773 -8.248 1.00 0.00 C ATOM 0 H THR A 59 -7.682 -9.771 -6.876 1.00 0.00 H new ATOM 0 HA THR A 59 -4.863 -9.895 -6.018 1.00 0.00 H new ATOM 0 HB THR A 59 -5.424 -8.683 -8.620 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.414 -10.801 -9.682 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.360 -9.863 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.141 -8.902 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.322 -10.669 -7.713 1.00 0.00 H new ATOM 990 N VAL A 60 -4.714 -7.268 -6.279 1.00 0.00 N ATOM 991 CA VAL A 60 -4.762 -5.847 -5.965 1.00 0.00 C ATOM 992 C VAL A 60 -3.939 -5.047 -6.967 1.00 0.00 C ATOM 993 O VAL A 60 -2.737 -5.269 -7.110 1.00 0.00 O ATOM 994 CB VAL A 60 -4.240 -5.565 -4.544 1.00 0.00 C ATOM 995 CG1 VAL A 60 -4.473 -4.111 -4.167 1.00 0.00 C ATOM 996 CG2 VAL A 60 -4.902 -6.497 -3.538 1.00 0.00 C ATOM 0 H VAL A 60 -3.775 -7.631 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.806 -5.540 -6.022 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.166 -5.752 -4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.097 -3.932 -3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.948 -3.464 -4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.540 -3.893 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.521 -6.284 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.981 -6.344 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.678 -7.532 -3.798 1.00 0.00 H new ATOM 1407 N PHE A 90 -5.146 8.280 -2.837 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.787 6.896 -3.130 1.00 0.00 C ATOM 1409 C PHE A 90 -6.023 6.057 -3.436 1.00 0.00 C ATOM 1410 O PHE A 90 -7.045 6.166 -2.758 1.00 0.00 O ATOM 1411 CB PHE A 90 -4.025 6.282 -1.956 1.00 0.00 C ATOM 1412 CG PHE A 90 -2.923 7.154 -1.426 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -2.093 7.854 -2.287 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -2.716 7.268 -0.062 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -1.076 8.652 -1.793 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -1.702 8.061 0.434 1.00 0.00 C ATOM 1417 CZ PHE A 90 -0.882 8.755 -0.429 1.00 0.00 C ATOM 0 HA PHE A 90 -4.146 6.900 -4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.728 6.070 -1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.602 5.328 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.241 7.776 -3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.356 6.730 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.435 9.194 -2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.551 8.138 1.501 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.090 9.378 -0.040 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.918 5.221 -4.462 1.00 0.00 N ATOM 1428 CA GLU A 91 -7.021 4.356 -4.869 1.00 0.00 C ATOM 1429 C GLU A 91 -6.506 2.964 -5.229 1.00 0.00 C ATOM 1430 O GLU A 91 -5.561 2.824 -6.005 1.00 0.00 O ATOM 1431 CB GLU A 91 -7.767 4.971 -6.055 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.901 6.484 -5.978 1.00 0.00 C ATOM 1433 CD GLU A 91 -6.800 7.206 -6.733 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -5.642 6.742 -6.681 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -7.099 8.235 -7.376 1.00 0.00 O ATOM 0 H GLU A 91 -5.077 5.123 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.713 4.261 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.246 4.708 -6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.762 4.530 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.869 6.780 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.884 6.794 -4.933 1.00 0.00 H new ATOM 1442 N PHE A 92 -7.131 1.935 -4.658 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.728 0.555 -4.920 1.00 0.00 C ATOM 1444 C PHE A 92 -7.873 -0.238 -5.549 1.00 0.00 C ATOM 1445 O PHE A 92 -9.044 0.045 -5.301 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.253 -0.121 -3.629 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.325 -0.276 -2.587 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -7.831 0.828 -1.920 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.826 -1.530 -2.274 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -8.818 0.684 -0.961 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.812 -1.679 -1.317 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.310 -0.572 -0.661 1.00 0.00 C ATOM 0 H PHE A 92 -7.916 2.031 -4.013 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.899 0.573 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.853 -1.105 -3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.433 0.460 -3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.451 1.812 -2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.441 -2.401 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.203 1.552 -0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.193 -2.662 -1.083 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.082 -0.687 0.085 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.523 -1.219 -6.376 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.521 -2.042 -7.055 1.00 0.00 C ATOM 1464 C LEU A 93 -8.503 -3.485 -6.552 1.00 0.00 C ATOM 1465 O LEU A 93 -7.438 -4.052 -6.299 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.276 -2.024 -8.565 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.681 -0.727 -9.274 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.495 -0.128 -10.014 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -9.834 -0.981 -10.232 1.00 0.00 C ATOM 0 H LEU A 93 -6.557 -1.464 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.501 -1.619 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.217 -2.204 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.823 -2.852 -9.016 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.011 -0.013 -8.520 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.803 0.792 -10.511 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.697 0.092 -9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.134 -0.838 -10.758 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.108 -0.049 -10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.531 -1.713 -10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.691 -1.363 -9.677 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.693 -4.069 -6.427 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.839 -5.448 -5.968 1.00 0.00 C ATOM 1483 C ILE A 94 -10.332 -6.332 -7.107 1.00 0.00 C ATOM 1484 O ILE A 94 -11.484 -6.235 -7.517 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.846 -5.534 -4.801 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.598 -4.412 -3.791 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.774 -6.891 -4.120 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.269 -4.521 -3.079 1.00 0.00 C ATOM 0 H ILE A 94 -10.576 -3.604 -6.639 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.862 -5.792 -5.627 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.849 -5.413 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.647 -3.453 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.398 -4.417 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.493 -6.926 -3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.008 -7.673 -4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.769 -7.048 -3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.162 -3.692 -2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.224 -5.464 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.461 -4.485 -3.810 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.463 -7.193 -7.626 1.00 0.00 N ATOM 1501 CA VAL A 95 -9.841 -8.072 -8.727 1.00 0.00 C ATOM 1502 C VAL A 95 -10.250 -9.452 -8.229 1.00 0.00 C ATOM 1503 O VAL A 95 -9.553 -10.066 -7.422 1.00 0.00 O ATOM 1504 CB VAL A 95 -8.699 -8.224 -9.754 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.084 -9.213 -10.851 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.341 -6.873 -10.352 1.00 0.00 C ATOM 0 H VAL A 95 -8.501 -7.301 -7.306 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.695 -7.602 -9.214 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.823 -8.617 -9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.264 -9.304 -11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.289 -10.187 -10.407 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.975 -8.855 -11.367 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.534 -6.997 -11.074 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.214 -6.453 -10.852 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.018 -6.198 -9.559 1.00 0.00 H new ATOM 1516 N SER A 96 -11.379 -9.936 -8.734 1.00 0.00 N ATOM 1517 CA SER A 96 -11.885 -11.249 -8.363 1.00 0.00 C ATOM 1518 C SER A 96 -11.463 -12.287 -9.395 1.00 0.00 C ATOM 1519 O SER A 96 -10.700 -11.987 -10.312 1.00 0.00 O ATOM 1520 CB SER A 96 -13.411 -11.218 -8.242 1.00 0.00 C ATOM 1521 OG SER A 96 -13.860 -12.103 -7.231 1.00 0.00 O ATOM 0 H SER A 96 -11.962 -9.435 -9.404 1.00 0.00 H new ATOM 0 HA SER A 96 -11.463 -11.522 -7.396 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.740 -10.204 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.860 -11.493 -9.196 1.00 0.00 H new ATOM 0 HG SER A 96 -14.837 -12.064 -7.172 1.00 0.00 H new ATOM 1527 N SER A 97 -11.960 -13.507 -9.244 1.00 0.00 N ATOM 1528 CA SER A 97 -11.626 -14.582 -10.170 1.00 0.00 C ATOM 1529 C SER A 97 -12.512 -14.538 -11.410 1.00 0.00 C ATOM 1530 O SER A 97 -12.163 -15.096 -12.450 1.00 0.00 O ATOM 1531 CB SER A 97 -11.755 -15.940 -9.482 1.00 0.00 C ATOM 1532 OG SER A 97 -12.723 -15.899 -8.447 1.00 0.00 O ATOM 0 H SER A 97 -12.594 -13.777 -8.492 1.00 0.00 H new ATOM 0 HA SER A 97 -10.592 -14.440 -10.485 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.034 -16.697 -10.215 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.790 -16.235 -9.070 1.00 0.00 H new ATOM 0 HG SER A 97 -12.403 -16.417 -7.679 1.00 0.00 H new ATOM 1538 N THR A 98 -13.657 -13.870 -11.302 1.00 0.00 N ATOM 1539 CA THR A 98 -14.576 -13.763 -12.425 1.00 0.00 C ATOM 1540 C THR A 98 -14.433 -12.416 -13.121 1.00 0.00 C ATOM 1541 O THR A 98 -15.356 -11.950 -13.790 1.00 0.00 O ATOM 1542 CB THR A 98 -16.018 -13.964 -11.960 1.00 0.00 C ATOM 1543 OG1 THR A 98 -16.917 -13.856 -13.049 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.451 -12.967 -10.906 1.00 0.00 C ATOM 0 H THR A 98 -13.967 -13.398 -10.453 1.00 0.00 H new ATOM 0 HA THR A 98 -14.324 -14.547 -13.139 1.00 0.00 H new ATOM 0 HB THR A 98 -16.044 -14.963 -11.525 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.752 -13.017 -13.527 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.484 -13.165 -10.620 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.808 -13.060 -10.031 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.373 -11.957 -11.307 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.268 -11.799 -12.965 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.021 -10.513 -13.592 1.00 0.00 C ATOM 1554 C GLY A 99 -13.542 -9.340 -12.779 1.00 0.00 C ATOM 1555 O GLY A 99 -13.083 -8.212 -12.951 1.00 0.00 O ATOM 0 H GLY A 99 -12.490 -12.165 -12.416 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.949 -10.392 -13.747 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.489 -10.500 -14.577 1.00 0.00 H new ATOM 1559 N GLN A 100 -14.504 -9.599 -11.893 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.081 -8.547 -11.059 1.00 0.00 C ATOM 1561 C GLN A 100 -13.984 -7.719 -10.399 1.00 0.00 C ATOM 1562 O GLN A 100 -13.117 -8.257 -9.711 1.00 0.00 O ATOM 1563 CB GLN A 100 -15.993 -9.155 -9.991 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.390 -8.555 -9.973 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.423 -9.464 -10.610 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -19.134 -9.064 -11.532 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -18.511 -10.694 -10.120 1.00 0.00 N ATOM 0 H GLN A 100 -14.899 -10.526 -11.735 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.673 -7.892 -11.698 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.070 -10.229 -10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.534 -9.017 -9.012 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.679 -8.348 -8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.378 -7.600 -10.499 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.901 -10.983 -9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.188 -11.350 -10.508 1.00 0.00 H new ATOM 1576 N THR A 101 -14.017 -6.408 -10.619 1.00 0.00 N ATOM 1577 CA THR A 101 -13.013 -5.521 -10.047 1.00 0.00 C ATOM 1578 C THR A 101 -13.647 -4.394 -9.236 1.00 0.00 C ATOM 1579 O THR A 101 -14.328 -3.527 -9.785 1.00 0.00 O ATOM 1580 CB THR A 101 -12.137 -4.930 -11.153 1.00 0.00 C ATOM 1581 OG1 THR A 101 -11.644 -5.949 -12.004 1.00 0.00 O ATOM 1582 CG2 THR A 101 -10.948 -4.159 -10.624 1.00 0.00 C ATOM 0 H THR A 101 -14.724 -5.940 -11.186 1.00 0.00 H new ATOM 0 HA THR A 101 -12.399 -6.117 -9.372 1.00 0.00 H new ATOM 0 HB THR A 101 -12.785 -4.242 -11.697 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.386 -6.517 -12.298 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.368 -3.766 -11.459 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.297 -3.333 -10.004 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.321 -4.821 -10.027 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.395 -4.401 -7.930 1.00 0.00 N ATOM 1591 CA TRP A 102 -13.915 -3.370 -7.044 1.00 0.00 C ATOM 1592 C TRP A 102 -12.897 -2.252 -6.895 1.00 0.00 C ATOM 1593 O TRP A 102 -11.896 -2.412 -6.195 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.206 -3.936 -5.657 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.289 -4.964 -5.614 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -15.922 -5.554 -6.669 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.860 -5.526 -4.433 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -16.854 -6.456 -6.208 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.838 -6.452 -4.837 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.636 -5.333 -3.069 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.590 -7.182 -3.918 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.387 -6.060 -2.167 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.346 -6.968 -2.594 1.00 0.00 C ATOM 0 H TRP A 102 -12.832 -5.112 -7.463 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.838 -2.991 -7.483 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.291 -4.376 -5.260 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.478 -3.114 -4.994 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.722 -5.345 -7.709 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.459 -7.034 -6.792 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.891 -4.630 -2.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.338 -7.890 -4.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.225 -5.919 -1.108 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.913 -7.519 -1.859 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.144 -1.119 -7.533 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.224 -0.001 -7.429 1.00 0.00 C ATOM 1616 C HIS A 103 -12.661 0.953 -6.327 1.00 0.00 C ATOM 1617 O HIS A 103 -13.727 1.562 -6.408 1.00 0.00 O ATOM 1618 CB HIS A 103 -12.113 0.747 -8.757 1.00 0.00 C ATOM 1619 CG HIS A 103 -10.943 1.675 -8.788 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -10.126 1.866 -7.697 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.452 2.469 -9.769 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.188 2.737 -7.996 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.358 3.118 -9.250 1.00 0.00 N ATOM 0 H HIS A 103 -13.961 -0.951 -8.120 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.242 -0.402 -7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -12.025 0.027 -9.571 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -13.028 1.313 -8.930 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.846 2.572 -10.769 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.411 3.082 -7.330 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.772 3.786 -9.751 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.835 1.083 -5.296 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.148 1.968 -4.186 1.00 0.00 C ATOM 1634 C PHE A 104 -11.043 2.990 -3.962 1.00 0.00 C ATOM 1635 O PHE A 104 -9.920 2.831 -4.441 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.359 1.169 -2.897 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.392 0.080 -2.994 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.563 0.272 -3.711 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.194 -1.134 -2.355 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.516 -0.728 -3.786 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -14.140 -2.137 -2.430 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.304 -1.932 -3.145 1.00 0.00 C ATOM 0 H PHE A 104 -10.947 0.588 -5.207 1.00 0.00 H new ATOM 0 HA PHE A 104 -13.068 2.493 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.409 0.724 -2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.649 1.857 -2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.733 1.211 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.288 -1.298 -1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.425 -0.567 -4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.970 -3.080 -1.931 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.048 -2.713 -3.202 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.375 4.032 -3.210 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.424 5.084 -2.888 1.00 0.00 C ATOM 1654 C GLU A 105 -10.356 5.276 -1.378 1.00 0.00 C ATOM 1655 O GLU A 105 -11.301 5.771 -0.760 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.818 6.395 -3.571 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.856 7.539 -3.297 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.540 8.743 -2.678 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -10.893 8.675 -1.482 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -10.726 9.751 -3.392 1.00 0.00 O ATOM 0 H GLU A 105 -12.303 4.170 -2.810 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.441 4.790 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.876 6.231 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.815 6.683 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.066 7.192 -2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.378 7.838 -4.230 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.240 4.861 -0.788 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.042 4.964 0.653 1.00 0.00 C ATOM 1669 C ALA A 106 -9.271 6.385 1.155 1.00 0.00 C ATOM 1670 O ALA A 106 -8.615 7.326 0.708 1.00 0.00 O ATOM 1671 CB ALA A 106 -7.642 4.496 1.021 1.00 0.00 C ATOM 0 H ALA A 106 -8.454 4.448 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 106 -9.778 4.321 1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.503 4.576 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.513 3.458 0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -6.905 5.118 0.513 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.199 6.531 2.097 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.501 7.835 2.672 1.00 0.00 C ATOM 1679 C ALA A 107 -9.294 8.371 3.432 1.00 0.00 C ATOM 1680 O ALA A 107 -9.052 9.577 3.469 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.711 7.743 3.589 1.00 0.00 C ATOM 0 H ALA A 107 -10.753 5.763 2.477 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.735 8.526 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.924 8.725 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.574 7.398 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.504 7.039 4.395 1.00 0.00 H new ATOM 1687 N SER A 108 -8.533 7.457 4.027 1.00 0.00 N ATOM 1688 CA SER A 108 -7.341 7.818 4.778 1.00 0.00 C ATOM 1689 C SER A 108 -6.099 7.234 4.115 1.00 0.00 C ATOM 1690 O SER A 108 -6.112 6.095 3.647 1.00 0.00 O ATOM 1691 CB SER A 108 -7.449 7.323 6.223 1.00 0.00 C ATOM 1692 OG SER A 108 -8.790 7.015 6.560 1.00 0.00 O ATOM 0 H SER A 108 -8.725 6.456 4.001 1.00 0.00 H new ATOM 0 HA SER A 108 -7.255 8.905 4.787 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.826 6.438 6.355 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.067 8.086 6.901 1.00 0.00 H new ATOM 0 HG SER A 108 -8.830 6.700 7.487 1.00 0.00 H new ATOM 1698 N PHE A 109 -5.031 8.021 4.067 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.786 7.582 3.449 1.00 0.00 C ATOM 1700 C PHE A 109 -3.265 6.302 4.098 1.00 0.00 C ATOM 1701 O PHE A 109 -2.713 5.435 3.421 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.735 8.693 3.531 1.00 0.00 C ATOM 1703 CG PHE A 109 -2.991 9.848 2.595 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -3.903 9.739 1.552 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -2.314 11.047 2.759 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -4.132 10.799 0.698 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -2.540 12.110 1.905 1.00 0.00 C ATOM 1708 CZ PHE A 109 -3.450 11.985 0.874 1.00 0.00 C ATOM 0 H PHE A 109 -5.002 8.966 4.449 1.00 0.00 H new ATOM 0 HA PHE A 109 -3.987 7.363 2.400 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.697 9.069 4.554 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.755 8.270 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -4.440 8.813 1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -1.601 11.151 3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.845 10.700 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.005 13.038 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.628 12.815 0.206 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.449 6.182 5.407 1.00 0.00 N ATOM 1719 CA GLU A 110 -3.002 4.997 6.133 1.00 0.00 C ATOM 1720 C GLU A 110 -3.911 3.805 5.842 1.00 0.00 C ATOM 1721 O GLU A 110 -3.456 2.663 5.764 1.00 0.00 O ATOM 1722 CB GLU A 110 -2.971 5.275 7.637 1.00 0.00 C ATOM 1723 CG GLU A 110 -1.631 5.795 8.133 1.00 0.00 C ATOM 1724 CD GLU A 110 -1.675 7.266 8.500 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -2.617 7.672 9.212 1.00 0.00 O ATOM 1726 OE2 GLU A 110 -0.767 8.010 8.076 1.00 0.00 O ATOM 0 H GLU A 110 -3.903 6.888 5.987 1.00 0.00 H new ATOM 0 HA GLU A 110 -1.995 4.754 5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.746 6.002 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.216 4.358 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.321 5.217 9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.877 5.639 7.361 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.201 4.084 5.690 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.186 3.044 5.415 1.00 0.00 C ATOM 1735 C GLU A 111 -5.938 2.383 4.063 1.00 0.00 C ATOM 1736 O GLU A 111 -6.216 1.198 3.884 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.600 3.630 5.461 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.554 2.850 6.351 1.00 0.00 C ATOM 1739 CD GLU A 111 -8.262 3.040 7.826 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -7.071 3.128 8.190 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -9.226 3.101 8.618 1.00 0.00 O ATOM 0 H GLU A 111 -5.590 5.025 5.753 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.087 2.280 6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.546 4.660 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.004 3.661 4.449 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.577 3.164 6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.490 1.790 6.105 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.420 3.152 3.109 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.149 2.623 1.775 1.00 0.00 C ATOM 1750 C ARG A 112 -4.217 1.416 1.849 1.00 0.00 C ATOM 1751 O ARG A 112 -4.414 0.424 1.148 1.00 0.00 O ATOM 1752 CB ARG A 112 -4.551 3.712 0.873 1.00 0.00 C ATOM 1753 CG ARG A 112 -3.052 3.919 1.048 1.00 0.00 C ATOM 1754 CD ARG A 112 -2.251 3.014 0.124 1.00 0.00 C ATOM 1755 NE ARG A 112 -1.142 3.725 -0.509 1.00 0.00 N ATOM 1756 CZ ARG A 112 -0.086 3.122 -1.050 1.00 0.00 C ATOM 1757 NH1 ARG A 112 0.004 1.798 -1.045 1.00 0.00 N ATOM 1758 NH2 ARG A 112 0.879 3.845 -1.601 1.00 0.00 N ATOM 0 H ARG A 112 -5.181 4.136 3.233 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.094 2.297 1.341 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -4.751 3.456 -0.167 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.062 4.654 1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.802 4.960 0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.775 3.720 2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.863 2.168 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.908 2.608 -0.645 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.180 4.744 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.738 1.238 -0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.815 1.340 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.812 4.863 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.689 3.384 -2.016 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.207 1.505 2.707 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.255 0.416 2.874 1.00 0.00 C ATOM 1774 C ASP A 113 -2.878 -0.724 3.665 1.00 0.00 C ATOM 1775 O ASP A 113 -2.770 -1.888 3.281 1.00 0.00 O ATOM 1776 CB ASP A 113 -0.988 0.912 3.572 1.00 0.00 C ATOM 1777 CG ASP A 113 0.265 0.251 3.034 1.00 0.00 C ATOM 1778 OD1 ASP A 113 0.247 -0.981 2.833 1.00 0.00 O ATOM 1779 OD2 ASP A 113 1.266 0.966 2.814 1.00 0.00 O ATOM 0 H ASP A 113 -3.027 2.318 3.296 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.985 0.046 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.907 1.992 3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.067 0.719 4.642 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.536 -0.385 4.771 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.180 -1.392 5.605 1.00 0.00 C ATOM 1786 C ALA A 114 -5.129 -2.244 4.774 1.00 0.00 C ATOM 1787 O ALA A 114 -5.047 -3.469 4.788 1.00 0.00 O ATOM 1788 CB ALA A 114 -4.920 -0.737 6.761 1.00 0.00 C ATOM 0 H ALA A 114 -3.636 0.573 5.107 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.408 -2.041 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.394 -1.505 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.215 -0.172 7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.682 -0.063 6.370 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.016 -1.584 4.040 1.00 0.00 N ATOM 1795 CA TRP A 115 -6.968 -2.277 3.185 1.00 0.00 C ATOM 1796 C TRP A 115 -6.250 -3.132 2.151 1.00 0.00 C ATOM 1797 O TRP A 115 -6.518 -4.325 2.028 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.862 -1.261 2.493 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.029 -0.874 3.333 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.142 0.227 4.123 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.238 -1.609 3.491 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.362 0.240 4.741 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.055 -0.879 4.369 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.713 -2.807 2.966 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.322 -1.316 4.732 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -11.971 -3.233 3.337 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.758 -2.494 4.202 1.00 0.00 C ATOM 0 H TRP A 115 -6.095 -0.567 4.021 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.576 -2.936 3.804 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.279 -0.372 2.252 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.217 -1.675 1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.379 0.982 4.245 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.699 0.965 5.375 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.111 -3.389 2.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.939 -0.744 5.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.350 -4.164 2.943 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.740 -2.859 4.463 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.326 -2.520 1.414 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.574 -3.245 0.402 1.00 0.00 C ATOM 1820 C VAL A 116 -3.843 -4.428 1.031 1.00 0.00 C ATOM 1821 O VAL A 116 -3.699 -5.484 0.412 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.568 -2.322 -0.319 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.643 -3.122 -1.227 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -4.305 -1.254 -1.114 1.00 0.00 C ATOM 0 H VAL A 116 -5.084 -1.533 1.500 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.283 -3.616 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.954 -1.833 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.945 -2.446 -1.722 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.087 -3.846 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.234 -3.646 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.582 -0.611 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.945 -1.730 -1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.916 -0.655 -0.439 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.406 -4.252 2.275 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.713 -5.314 2.991 1.00 0.00 C ATOM 1836 C GLN A 117 -3.716 -6.303 3.570 1.00 0.00 C ATOM 1837 O GLN A 117 -3.413 -7.483 3.737 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.845 -4.730 4.108 1.00 0.00 C ATOM 1839 CG GLN A 117 -0.759 -5.679 4.593 1.00 0.00 C ATOM 1840 CD GLN A 117 -1.059 -6.261 5.959 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -1.577 -7.372 6.074 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -0.735 -5.511 7.007 1.00 0.00 N ATOM 0 H GLN A 117 -3.520 -3.388 2.804 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.067 -5.839 2.287 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.380 -3.810 3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.483 -4.460 4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.644 -6.490 3.874 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.192 -5.148 4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -0.307 -4.596 6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.914 -5.851 7.952 1.00 0.00 H new ATOM 1851 N ALA A 118 -4.917 -5.814 3.865 1.00 0.00 N ATOM 1852 CA ALA A 118 -5.970 -6.654 4.415 1.00 0.00 C ATOM 1853 C ALA A 118 -6.489 -7.611 3.355 1.00 0.00 C ATOM 1854 O ALA A 118 -6.686 -8.798 3.613 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.103 -5.796 4.957 1.00 0.00 C ATOM 0 H ALA A 118 -5.183 -4.838 3.731 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.556 -7.238 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.883 -6.439 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.722 -5.144 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.517 -5.189 4.152 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.695 -7.084 2.155 1.00 0.00 N ATOM 1862 CA ILE A 119 -7.176 -7.888 1.045 1.00 0.00 C ATOM 1863 C ILE A 119 -6.114 -8.903 0.635 1.00 0.00 C ATOM 1864 O ILE A 119 -6.401 -10.091 0.497 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.569 -7.004 -0.164 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -8.925 -6.339 0.089 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.614 -7.820 -1.450 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.832 -5.012 0.807 1.00 0.00 C ATOM 0 H ILE A 119 -6.536 -6.102 1.928 1.00 0.00 H new ATOM 0 HA ILE A 119 -8.070 -8.418 1.375 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.809 -6.231 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.429 -6.190 -0.866 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.547 -7.016 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.893 -7.173 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.632 -8.253 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.349 -8.618 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.833 -4.604 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -8.358 -5.156 1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.238 -4.317 0.213 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.880 -8.433 0.460 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.784 -9.318 0.086 1.00 0.00 C ATOM 1882 C GLU A 120 -3.501 -10.307 1.212 1.00 0.00 C ATOM 1883 O GLU A 120 -3.115 -11.448 0.968 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.527 -8.507 -0.236 1.00 0.00 C ATOM 1885 CG GLU A 120 -2.284 -8.332 -1.727 1.00 0.00 C ATOM 1886 CD GLU A 120 -1.131 -7.394 -2.023 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -1.275 -6.178 -1.778 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -0.081 -7.876 -2.499 1.00 0.00 O ATOM 0 H GLU A 120 -4.618 -7.453 0.570 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.074 -9.874 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.609 -7.524 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.663 -8.999 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.081 -9.305 -2.175 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.190 -7.948 -2.196 1.00 0.00 H new ATOM 1895 N SER A 121 -3.705 -9.860 2.450 1.00 0.00 N ATOM 1896 CA SER A 121 -3.483 -10.710 3.612 1.00 0.00 C ATOM 1897 C SER A 121 -4.485 -11.853 3.635 1.00 0.00 C ATOM 1898 O SER A 121 -4.125 -13.008 3.867 1.00 0.00 O ATOM 1899 CB SER A 121 -3.588 -9.896 4.903 1.00 0.00 C ATOM 1900 OG SER A 121 -3.680 -10.745 6.035 1.00 0.00 O ATOM 0 H SER A 121 -4.023 -8.916 2.671 1.00 0.00 H new ATOM 0 HA SER A 121 -2.478 -11.125 3.542 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.717 -9.248 5.000 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.463 -9.248 4.858 1.00 0.00 H new ATOM 0 HG SER A 121 -3.745 -10.201 6.848 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.749 -11.525 3.387 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.804 -12.527 3.371 1.00 0.00 C ATOM 1908 C GLN A 122 -6.560 -13.538 2.257 1.00 0.00 C ATOM 1909 O GLN A 122 -6.873 -14.722 2.395 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.167 -11.861 3.186 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.686 -11.173 4.439 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.669 -12.081 5.654 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -9.475 -13.005 5.765 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.746 -11.822 6.573 1.00 0.00 N ATOM 0 H GLN A 122 -6.065 -10.574 3.195 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.796 -13.051 4.327 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.097 -11.128 2.382 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.889 -12.614 2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -8.080 -10.290 4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.704 -10.827 4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.098 -11.046 6.440 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.685 -12.399 7.412 1.00 0.00 H new ATOM 1923 N ILE A 123 -5.995 -13.061 1.154 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.703 -13.917 0.014 1.00 0.00 C ATOM 1925 C ILE A 123 -4.531 -14.843 0.315 1.00 0.00 C ATOM 1926 O ILE A 123 -4.522 -16.003 -0.097 1.00 0.00 O ATOM 1927 CB ILE A 123 -5.389 -13.087 -1.247 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.557 -12.155 -1.571 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -5.097 -13.998 -2.428 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -6.148 -10.918 -2.341 1.00 0.00 C ATOM 0 H ILE A 123 -5.730 -12.084 1.026 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.594 -14.516 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.503 -12.483 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.300 -12.704 -2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -7.038 -11.852 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.878 -13.394 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.238 -14.628 -2.198 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.965 -14.626 -2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.027 -10.303 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.428 -10.346 -1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.694 -11.212 -3.287 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.547 -14.328 1.043 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.376 -15.114 1.406 1.00 0.00 C ATOM 1944 C LEU A 124 -2.761 -16.241 2.357 1.00 0.00 C ATOM 1945 O LEU A 124 -2.206 -17.337 2.295 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.311 -14.222 2.047 1.00 0.00 C ATOM 1947 CG LEU A 124 -0.241 -13.698 1.083 1.00 0.00 C ATOM 1948 CD1 LEU A 124 -0.422 -12.205 0.841 1.00 0.00 C ATOM 1949 CD2 LEU A 124 1.153 -13.986 1.621 1.00 0.00 C ATOM 0 H LEU A 124 -3.538 -13.370 1.393 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.963 -15.553 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.805 -13.371 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.819 -14.782 2.842 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.355 -14.217 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.347 -11.852 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.406 -12.023 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.337 -11.670 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.898 -13.606 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.279 -13.497 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.282 -15.062 1.740 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.721 -15.963 3.235 1.00 0.00 N ATOM 1962 CA ALA A 125 -4.185 -16.955 4.196 1.00 0.00 C ATOM 1963 C ALA A 125 -5.095 -17.979 3.525 1.00 0.00 C ATOM 1964 O ALA A 125 -5.147 -19.139 3.930 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.912 -16.275 5.347 1.00 0.00 C ATOM 0 H ALA A 125 -4.191 -15.060 3.300 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.315 -17.480 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.253 -17.028 6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.234 -15.584 5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.770 -15.725 4.961 1.00 0.00 H new ATOM 1971 N SER A 126 -5.812 -17.539 2.495 1.00 0.00 N ATOM 1972 CA SER A 126 -6.723 -18.414 1.765 1.00 0.00 C ATOM 1973 C SER A 126 -5.968 -19.270 0.752 1.00 0.00 C ATOM 1974 O SER A 126 -6.329 -20.421 0.509 1.00 0.00 O ATOM 1975 CB SER A 126 -7.796 -17.588 1.055 1.00 0.00 C ATOM 1976 OG SER A 126 -8.950 -17.447 1.864 1.00 0.00 O ATOM 0 H SER A 126 -5.779 -16.581 2.147 1.00 0.00 H new ATOM 0 HA SER A 126 -7.202 -19.078 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.398 -16.603 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.065 -18.067 0.114 1.00 0.00 H new ATOM 0 HG SER A 126 -9.620 -16.913 1.388 1.00 0.00 H new