USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 962 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 72 HIS : no HE2:sc= -1.22 K(o=0.14,f=-8.8!) USER MOD Set 1.2: B 3 THR OG1 : rot 112:sc= 1.36 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 140:sc= -3.02! (180deg=-4.74!) USER MOD Single : A 15 CYS SG : rot 48:sc= -0.138 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -118:sc= 0.403 (180deg=-0.403) USER MOD Single : A 22 ASN : amide:sc= -0.337 K(o=-0.34,f=-5.2!) USER MOD Single : A 24 TYR OH : rot -149:sc= -1.3! USER MOD Single : A 27 HIS : no HE2:sc= 0.605 K(o=0.6,f=-5.9!) USER MOD Single : A 29 HIS : no HD1:sc= 1.18 K(o=1.2,f=-5.3!) USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= -0.0478 (180deg=-0.416) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc=-0.00421 (180deg=-0.0781) USER MOD Single : A 37 GLN : amide:sc= 0.511! C(o=0.51!,f=-7.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -80:sc= 1.11 USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.17) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0597 F(o=-1.3,f=-0.06) USER MOD Single : A 66 ASN : amide:sc= 0.647 K(o=0.65,f=-4.5!) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00501) USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.087) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 98 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.092) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.007 F(o=-1,f=-0.007) USER MOD Single : A 101 LYS NZ :NH3+ 163:sc= -0.0677 (180deg=-0.435) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.131 F(o=-1.8!,f=-0.13) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 119 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1) USER MOD Single : B 1 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : B 1 GLN N :NH3+ -179:sc= 0 (180deg=-0.000936) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -15.640 -20.131 4.813 1.00 0.00 N ATOM 2 CA GLY A 4 -16.811 -19.725 4.003 1.00 0.00 C ATOM 3 C GLY A 4 -16.833 -18.233 3.764 1.00 0.00 C ATOM 4 O GLY A 4 -17.055 -17.453 4.692 1.00 0.00 O ATOM 0 HA2 GLY A 4 -16.791 -20.247 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.727 -20.026 4.511 1.00 0.00 H new ATOM 10 N ILE A 5 -16.583 -17.833 2.525 1.00 0.00 N ATOM 11 CA ILE A 5 -16.541 -16.425 2.164 1.00 0.00 C ATOM 12 C ILE A 5 -17.100 -16.207 0.767 1.00 0.00 C ATOM 13 O ILE A 5 -17.555 -17.147 0.111 1.00 0.00 O ATOM 14 CB ILE A 5 -15.100 -15.855 2.242 1.00 0.00 C ATOM 15 CG1 ILE A 5 -14.077 -16.788 1.577 1.00 0.00 C ATOM 16 CG2 ILE A 5 -14.708 -15.596 3.686 1.00 0.00 C ATOM 17 CD1 ILE A 5 -14.064 -16.730 0.065 1.00 0.00 C ATOM 0 H ILE A 5 -16.405 -18.470 1.749 1.00 0.00 H new ATOM 0 HA ILE A 5 -17.160 -15.893 2.886 1.00 0.00 H new ATOM 0 HB ILE A 5 -15.095 -14.913 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.082 -16.538 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.283 -17.812 1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.694 -15.197 3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.398 -14.876 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.750 -16.529 4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.313 -17.420 -0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -15.045 -17.011 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.825 -15.717 -0.258 1.00 0.00 H new ATOM 29 N ASP A 6 -17.065 -14.967 0.319 1.00 0.00 N ATOM 30 CA ASP A 6 -17.481 -14.631 -1.032 1.00 0.00 C ATOM 31 C ASP A 6 -16.252 -14.216 -1.822 1.00 0.00 C ATOM 32 O ASP A 6 -15.351 -13.591 -1.261 1.00 0.00 O ATOM 33 CB ASP A 6 -18.508 -13.494 -1.016 1.00 0.00 C ATOM 34 CG ASP A 6 -19.319 -13.427 -2.295 1.00 0.00 C ATOM 35 OD1 ASP A 6 -19.967 -14.439 -2.642 1.00 0.00 O ATOM 36 OD2 ASP A 6 -19.330 -12.363 -2.947 1.00 0.00 O ATOM 0 H ASP A 6 -16.751 -14.170 0.873 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.951 -15.498 -1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -19.181 -13.628 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.993 -12.545 -0.866 1.00 0.00 H new ATOM 41 N PRO A 7 -16.176 -14.598 -3.111 1.00 0.00 N ATOM 42 CA PRO A 7 -15.045 -14.274 -3.983 1.00 0.00 C ATOM 43 C PRO A 7 -14.556 -12.849 -3.834 1.00 0.00 C ATOM 44 O PRO A 7 -15.346 -11.907 -3.733 1.00 0.00 O ATOM 45 CB PRO A 7 -15.624 -14.488 -5.371 1.00 0.00 C ATOM 46 CG PRO A 7 -16.535 -15.633 -5.172 1.00 0.00 C ATOM 47 CD PRO A 7 -17.186 -15.398 -3.835 1.00 0.00 C ATOM 0 HA PRO A 7 -14.171 -14.883 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.155 -13.606 -5.728 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.848 -14.711 -6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.279 -15.686 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -15.989 -16.576 -5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.130 -14.862 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -17.403 -16.335 -3.321 1.00 0.00 H new ATOM 55 N PHE A 8 -13.247 -12.707 -3.834 1.00 0.00 N ATOM 56 CA PHE A 8 -12.619 -11.404 -3.715 1.00 0.00 C ATOM 57 C PHE A 8 -12.841 -10.626 -5.003 1.00 0.00 C ATOM 58 O PHE A 8 -12.026 -10.666 -5.925 1.00 0.00 O ATOM 59 CB PHE A 8 -11.127 -11.551 -3.416 1.00 0.00 C ATOM 60 CG PHE A 8 -10.844 -12.324 -2.157 1.00 0.00 C ATOM 61 CD1 PHE A 8 -11.005 -11.731 -0.914 1.00 0.00 C ATOM 62 CD2 PHE A 8 -10.420 -13.643 -2.218 1.00 0.00 C ATOM 63 CE1 PHE A 8 -10.752 -12.440 0.244 1.00 0.00 C ATOM 64 CE2 PHE A 8 -10.164 -14.356 -1.062 1.00 0.00 C ATOM 65 CZ PHE A 8 -10.329 -13.753 0.169 1.00 0.00 C ATOM 0 H PHE A 8 -12.591 -13.484 -3.916 1.00 0.00 H new ATOM 0 HA PHE A 8 -13.068 -10.858 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.643 -12.049 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.681 -10.560 -3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.332 -10.704 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.288 -14.118 -3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.885 -11.969 1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.835 -15.383 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.127 -14.308 1.073 1.00 0.00 H new ATOM 75 N THR A 9 -13.973 -9.949 -5.067 1.00 0.00 N ATOM 76 CA THR A 9 -14.386 -9.268 -6.276 1.00 0.00 C ATOM 77 C THR A 9 -13.875 -7.839 -6.341 1.00 0.00 C ATOM 78 O THR A 9 -13.498 -7.373 -7.413 1.00 0.00 O ATOM 79 CB THR A 9 -15.922 -9.305 -6.442 1.00 0.00 C ATOM 80 OG1 THR A 9 -16.345 -8.356 -7.429 1.00 0.00 O ATOM 81 CG2 THR A 9 -16.632 -9.041 -5.115 1.00 0.00 C ATOM 0 H THR A 9 -14.626 -9.857 -4.289 1.00 0.00 H new ATOM 0 HA THR A 9 -13.934 -9.810 -7.107 1.00 0.00 H new ATOM 0 HB THR A 9 -16.195 -10.306 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 9 -17.320 -8.394 -7.523 1.00 0.00 H new ATOM 0 HG21 THR A 9 -17.711 -9.074 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.344 -9.803 -4.390 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.348 -8.058 -4.740 1.00 0.00 H new ATOM 89 N MET A 10 -13.865 -7.139 -5.222 1.00 0.00 N ATOM 90 CA MET A 10 -13.248 -5.823 -5.198 1.00 0.00 C ATOM 91 C MET A 10 -11.866 -5.923 -4.601 1.00 0.00 C ATOM 92 O MET A 10 -11.705 -6.274 -3.434 1.00 0.00 O ATOM 93 CB MET A 10 -14.060 -4.787 -4.424 1.00 0.00 C ATOM 94 CG MET A 10 -13.438 -3.402 -4.520 1.00 0.00 C ATOM 95 SD MET A 10 -14.298 -2.154 -3.552 1.00 0.00 S ATOM 96 CE MET A 10 -13.397 -0.689 -4.055 1.00 0.00 C ATOM 0 H MET A 10 -14.266 -7.448 -4.337 1.00 0.00 H new ATOM 0 HA MET A 10 -13.201 -5.481 -6.232 1.00 0.00 H new ATOM 0 HB2 MET A 10 -15.078 -4.757 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 10 -14.127 -5.084 -3.378 1.00 0.00 H new ATOM 0 HG2 MET A 10 -12.401 -3.455 -4.188 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.423 -3.092 -5.565 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.093 0.140 -4.184 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.664 -0.432 -3.290 1.00 0.00 H new ATOM 0 HE3 MET A 10 -12.885 -0.882 -4.998 1.00 0.00 H new ATOM 106 N LEU A 11 -10.872 -5.630 -5.411 1.00 0.00 N ATOM 107 CA LEU A 11 -9.497 -5.715 -4.978 1.00 0.00 C ATOM 108 C LEU A 11 -8.973 -4.303 -4.743 1.00 0.00 C ATOM 109 O LEU A 11 -8.814 -3.528 -5.690 1.00 0.00 O ATOM 110 CB LEU A 11 -8.639 -6.465 -6.016 1.00 0.00 C ATOM 111 CG LEU A 11 -9.194 -7.819 -6.512 1.00 0.00 C ATOM 112 CD1 LEU A 11 -9.675 -8.666 -5.350 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.299 -7.623 -7.541 1.00 0.00 C ATOM 0 H LEU A 11 -10.993 -5.329 -6.378 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.438 -6.281 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.501 -5.815 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.653 -6.637 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.379 -8.351 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.061 -9.614 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.845 -8.856 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.466 -8.138 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.667 -8.595 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.116 -7.057 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.905 -7.076 -8.398 1.00 0.00 H new ATOM 125 N PRO A 12 -8.724 -3.945 -3.472 1.00 0.00 N ATOM 126 CA PRO A 12 -8.398 -2.569 -3.084 1.00 0.00 C ATOM 127 C PRO A 12 -7.111 -2.059 -3.719 1.00 0.00 C ATOM 128 O PRO A 12 -6.085 -2.743 -3.730 1.00 0.00 O ATOM 129 CB PRO A 12 -8.250 -2.642 -1.562 1.00 0.00 C ATOM 130 CG PRO A 12 -7.966 -4.072 -1.276 1.00 0.00 C ATOM 131 CD PRO A 12 -8.721 -4.854 -2.313 1.00 0.00 C ATOM 0 HA PRO A 12 -9.167 -1.873 -3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.441 -2.001 -1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -9.159 -2.311 -1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.897 -4.277 -1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.289 -4.342 -0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.230 -5.800 -2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.732 -5.091 -1.983 1.00 0.00 H new ATOM 139 N ARG A 13 -7.182 -0.851 -4.249 1.00 0.00 N ATOM 140 CA ARG A 13 -6.029 -0.221 -4.857 1.00 0.00 C ATOM 141 C ARG A 13 -5.384 0.761 -3.888 1.00 0.00 C ATOM 142 O ARG A 13 -6.055 1.630 -3.324 1.00 0.00 O ATOM 143 CB ARG A 13 -6.438 0.492 -6.153 1.00 0.00 C ATOM 144 CG ARG A 13 -7.675 1.373 -6.007 1.00 0.00 C ATOM 145 CD ARG A 13 -8.028 2.070 -7.310 1.00 0.00 C ATOM 146 NE ARG A 13 -8.199 1.120 -8.407 1.00 0.00 N ATOM 147 CZ ARG A 13 -8.493 1.464 -9.656 1.00 0.00 C ATOM 148 NH1 ARG A 13 -8.766 2.729 -9.962 1.00 0.00 N ATOM 149 NH2 ARG A 13 -8.535 0.532 -10.599 1.00 0.00 N ATOM 0 H ARG A 13 -8.031 -0.286 -4.269 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.298 -0.992 -5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.605 1.105 -6.498 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.624 -0.255 -6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.518 0.764 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.501 2.119 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.947 2.642 -7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.243 2.782 -7.565 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.085 0.128 -8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.751 3.444 -9.235 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.991 2.984 -10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.342 -0.441 -10.363 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.760 0.789 -11.560 1.00 0.00 H new ATOM 163 N LEU A 14 -4.084 0.617 -3.695 1.00 0.00 N ATOM 164 CA LEU A 14 -3.332 1.548 -2.873 1.00 0.00 C ATOM 165 C LEU A 14 -2.933 2.729 -3.732 1.00 0.00 C ATOM 166 O LEU A 14 -2.030 2.632 -4.563 1.00 0.00 O ATOM 167 CB LEU A 14 -2.090 0.880 -2.277 1.00 0.00 C ATOM 168 CG LEU A 14 -1.302 1.737 -1.283 1.00 0.00 C ATOM 169 CD1 LEU A 14 -2.162 2.094 -0.078 1.00 0.00 C ATOM 170 CD2 LEU A 14 -0.038 1.012 -0.845 1.00 0.00 C ATOM 0 H LEU A 14 -3.527 -0.137 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.954 1.880 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.396 -0.039 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.425 0.593 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.015 2.664 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.582 2.703 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.037 2.654 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.484 1.181 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.512 1.634 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.306 0.070 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.587 0.812 -1.715 1.00 0.00 H new ATOM 182 N CYS A 15 -3.620 3.835 -3.544 1.00 0.00 N ATOM 183 CA CYS A 15 -3.448 4.978 -4.409 1.00 0.00 C ATOM 184 C CYS A 15 -2.440 5.949 -3.823 1.00 0.00 C ATOM 185 O CYS A 15 -2.701 6.597 -2.813 1.00 0.00 O ATOM 186 CB CYS A 15 -4.795 5.666 -4.621 1.00 0.00 C ATOM 187 SG CYS A 15 -6.089 4.561 -5.232 1.00 0.00 S ATOM 0 H CYS A 15 -4.303 3.965 -2.798 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.065 4.638 -5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.121 6.106 -3.678 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.667 6.486 -5.328 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.102 3.473 -4.520 1.00 0.00 H new ATOM 193 N CYS A 16 -1.277 6.026 -4.443 1.00 0.00 N ATOM 194 CA CYS A 16 -0.298 7.016 -4.057 1.00 0.00 C ATOM 195 C CYS A 16 -0.533 8.281 -4.864 1.00 0.00 C ATOM 196 O CYS A 16 -0.254 8.328 -6.064 1.00 0.00 O ATOM 197 CB CYS A 16 1.120 6.488 -4.283 1.00 0.00 C ATOM 198 SG CYS A 16 1.505 4.989 -3.348 1.00 0.00 S ATOM 0 H CYS A 16 -0.992 5.418 -5.211 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.404 7.238 -2.995 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.256 6.286 -5.345 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.834 7.266 -4.012 1.00 0.00 H new ATOM 0 HG CYS A 16 2.724 4.618 -3.606 1.00 0.00 H new ATOM 204 N LEU A 17 -1.076 9.294 -4.207 1.00 0.00 N ATOM 205 CA LEU A 17 -1.382 10.545 -4.872 1.00 0.00 C ATOM 206 C LEU A 17 -0.180 11.470 -4.841 1.00 0.00 C ATOM 207 O LEU A 17 0.499 11.597 -3.819 1.00 0.00 O ATOM 208 CB LEU A 17 -2.611 11.222 -4.251 1.00 0.00 C ATOM 209 CG LEU A 17 -3.955 10.806 -4.858 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.273 9.350 -4.563 1.00 0.00 C ATOM 211 CD2 LEU A 17 -5.061 11.702 -4.343 1.00 0.00 C ATOM 0 H LEU A 17 -1.313 9.272 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.620 10.324 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.628 11.002 -3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.502 12.302 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.882 10.916 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.233 9.090 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.494 8.715 -4.984 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.321 9.199 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.011 11.396 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.120 11.621 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.850 12.735 -4.618 1.00 0.00 H new ATOM 223 N GLU A 18 0.082 12.091 -5.978 1.00 0.00 N ATOM 224 CA GLU A 18 1.241 12.945 -6.150 1.00 0.00 C ATOM 225 C GLU A 18 0.891 14.383 -5.789 1.00 0.00 C ATOM 226 O GLU A 18 -0.146 14.897 -6.207 1.00 0.00 O ATOM 227 CB GLU A 18 1.712 12.879 -7.607 1.00 0.00 C ATOM 228 CG GLU A 18 1.690 11.475 -8.196 1.00 0.00 C ATOM 229 CD GLU A 18 1.980 11.456 -9.685 1.00 0.00 C ATOM 230 OE1 GLU A 18 1.033 11.642 -10.488 1.00 0.00 O ATOM 231 OE2 GLU A 18 3.149 11.243 -10.064 1.00 0.00 O ATOM 0 H GLU A 18 -0.505 12.016 -6.809 1.00 0.00 H new ATOM 0 HA GLU A 18 2.039 12.600 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.080 13.527 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.726 13.274 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.425 10.858 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.714 11.026 -8.015 1.00 0.00 H new ATOM 238 N LYS A 19 1.733 15.018 -4.992 1.00 0.00 N ATOM 239 CA LYS A 19 1.563 16.429 -4.690 1.00 0.00 C ATOM 240 C LYS A 19 1.857 17.262 -5.929 1.00 0.00 C ATOM 241 O LYS A 19 3.007 17.372 -6.359 1.00 0.00 O ATOM 242 CB LYS A 19 2.471 16.867 -3.534 1.00 0.00 C ATOM 243 CG LYS A 19 2.511 18.379 -3.324 1.00 0.00 C ATOM 244 CD LYS A 19 1.160 18.936 -2.896 1.00 0.00 C ATOM 245 CE LYS A 19 0.844 18.604 -1.449 1.00 0.00 C ATOM 246 NZ LYS A 19 1.802 19.250 -0.508 1.00 0.00 N ATOM 0 H LYS A 19 2.538 14.581 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 19 0.529 16.587 -4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.130 16.390 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.483 16.508 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.258 18.619 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.826 18.864 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.154 20.018 -3.030 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.380 18.531 -3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.170 18.929 -1.215 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.872 17.523 -1.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.317 18.517 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.478 19.830 -1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.280 19.854 0.158 1.00 0.00 H new ATOM 260 N GLY A 20 0.811 17.829 -6.502 1.00 0.00 N ATOM 261 CA GLY A 20 0.966 18.678 -7.659 1.00 0.00 C ATOM 262 C GLY A 20 1.285 20.104 -7.266 1.00 0.00 C ATOM 263 O GLY A 20 1.850 20.340 -6.198 1.00 0.00 O ATOM 0 H GLY A 20 -0.151 17.715 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.762 18.288 -8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.050 18.659 -8.250 1.00 0.00 H new ATOM 267 N PRO A 21 0.917 21.080 -8.099 1.00 0.00 N ATOM 268 CA PRO A 21 1.221 22.493 -7.849 1.00 0.00 C ATOM 269 C PRO A 21 0.650 22.996 -6.524 1.00 0.00 C ATOM 270 O PRO A 21 1.348 23.641 -5.742 1.00 0.00 O ATOM 271 CB PRO A 21 0.564 23.224 -9.029 1.00 0.00 C ATOM 272 CG PRO A 21 -0.402 22.248 -9.613 1.00 0.00 C ATOM 273 CD PRO A 21 0.179 20.890 -9.357 1.00 0.00 C ATOM 0 HA PRO A 21 2.295 22.661 -7.773 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.055 24.129 -8.696 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.308 23.529 -9.765 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.384 22.346 -9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.534 22.421 -10.681 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.597 20.131 -9.259 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.836 20.572 -10.167 1.00 0.00 H new ATOM 281 N ASN A 22 -0.613 22.688 -6.267 1.00 0.00 N ATOM 282 CA ASN A 22 -1.289 23.191 -5.082 1.00 0.00 C ATOM 283 C ASN A 22 -2.178 22.126 -4.441 1.00 0.00 C ATOM 284 O ASN A 22 -3.222 22.446 -3.868 1.00 0.00 O ATOM 285 CB ASN A 22 -2.128 24.417 -5.463 1.00 0.00 C ATOM 286 CG ASN A 22 -3.193 24.105 -6.505 1.00 0.00 C ATOM 287 OD1 ASN A 22 -3.048 23.198 -7.330 1.00 0.00 O ATOM 288 ND2 ASN A 22 -4.269 24.864 -6.485 1.00 0.00 N ATOM 0 H ASN A 22 -1.189 22.093 -6.863 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.532 23.468 -4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.607 24.815 -4.569 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.470 25.197 -5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.014 24.711 -7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.357 25.605 -5.790 1.00 0.00 H new ATOM 295 N GLY A 23 -1.766 20.866 -4.514 1.00 0.00 N ATOM 296 CA GLY A 23 -2.572 19.806 -3.941 1.00 0.00 C ATOM 297 C GLY A 23 -2.607 18.560 -4.798 1.00 0.00 C ATOM 298 O GLY A 23 -1.617 18.219 -5.442 1.00 0.00 O ATOM 0 H GLY A 23 -0.898 20.562 -4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.181 19.552 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.589 20.169 -3.796 1.00 0.00 H new ATOM 302 N TYR A 24 -3.748 17.886 -4.813 1.00 0.00 N ATOM 303 CA TYR A 24 -3.871 16.600 -5.486 1.00 0.00 C ATOM 304 C TYR A 24 -4.986 16.627 -6.525 1.00 0.00 C ATOM 305 O TYR A 24 -5.023 15.792 -7.426 1.00 0.00 O ATOM 306 CB TYR A 24 -4.118 15.495 -4.460 1.00 0.00 C ATOM 307 CG TYR A 24 -3.073 15.471 -3.374 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.860 14.828 -3.567 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.289 16.119 -2.167 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.891 14.827 -2.586 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.324 16.127 -1.183 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.127 15.478 -1.397 1.00 0.00 C ATOM 313 OH TYR A 24 -0.165 15.489 -0.416 1.00 0.00 O ATOM 0 H TYR A 24 -4.605 18.210 -4.365 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.936 16.395 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.101 15.634 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.133 14.530 -4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.671 14.320 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.228 16.625 -1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.048 14.318 -2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.505 16.639 -0.249 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.595 15.522 0.464 1.00 0.00 H new ATOM 323 N GLY A 25 -5.907 17.571 -6.382 1.00 0.00 N ATOM 324 CA GLY A 25 -6.875 17.819 -7.434 1.00 0.00 C ATOM 325 C GLY A 25 -8.193 17.087 -7.261 1.00 0.00 C ATOM 326 O GLY A 25 -8.882 16.814 -8.246 1.00 0.00 O ATOM 0 H GLY A 25 -6.002 18.168 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.072 18.890 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.436 17.531 -8.389 1.00 0.00 H new ATOM 330 N PHE A 26 -8.565 16.772 -6.028 1.00 0.00 N ATOM 331 CA PHE A 26 -9.873 16.194 -5.773 1.00 0.00 C ATOM 332 C PHE A 26 -10.540 16.905 -4.609 1.00 0.00 C ATOM 333 O PHE A 26 -9.873 17.492 -3.765 1.00 0.00 O ATOM 334 CB PHE A 26 -9.777 14.688 -5.498 1.00 0.00 C ATOM 335 CG PHE A 26 -9.038 14.322 -4.241 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.655 14.353 -4.197 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.730 13.925 -3.109 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.978 14.001 -3.047 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.058 13.568 -1.957 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.679 13.605 -1.926 1.00 0.00 C ATOM 0 H PHE A 26 -7.986 16.906 -5.199 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.481 16.328 -6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.785 14.278 -5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.285 14.209 -6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.099 14.656 -5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.809 13.894 -3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.899 14.035 -3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.611 13.260 -1.082 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.150 13.325 -1.027 1.00 0.00 H new ATOM 350 N HIS A 27 -11.860 16.869 -4.586 1.00 0.00 N ATOM 351 CA HIS A 27 -12.623 17.513 -3.529 1.00 0.00 C ATOM 352 C HIS A 27 -13.140 16.462 -2.574 1.00 0.00 C ATOM 353 O HIS A 27 -13.798 15.514 -3.000 1.00 0.00 O ATOM 354 CB HIS A 27 -13.815 18.293 -4.102 1.00 0.00 C ATOM 355 CG HIS A 27 -13.442 19.475 -4.940 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.788 20.767 -4.608 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.779 19.558 -6.118 1.00 0.00 C ATOM 358 CE1 HIS A 27 -13.360 21.591 -5.545 1.00 0.00 C ATOM 359 NE2 HIS A 27 -12.741 20.881 -6.470 1.00 0.00 N ATOM 0 H HIS A 27 -12.429 16.399 -5.290 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.966 18.211 -3.011 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.421 17.615 -4.703 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -14.441 18.633 -3.277 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -14.296 21.043 -3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.359 18.734 -6.676 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -13.493 22.663 -5.554 1.00 0.00 H new ATOM 368 N LEU A 28 -12.845 16.611 -1.298 1.00 0.00 N ATOM 369 CA LEU A 28 -13.384 15.694 -0.320 1.00 0.00 C ATOM 370 C LEU A 28 -14.590 16.311 0.361 1.00 0.00 C ATOM 371 O LEU A 28 -14.596 17.495 0.705 1.00 0.00 O ATOM 372 CB LEU A 28 -12.364 15.297 0.740 1.00 0.00 C ATOM 373 CG LEU A 28 -12.859 14.192 1.676 1.00 0.00 C ATOM 374 CD1 LEU A 28 -12.398 12.825 1.199 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.429 14.454 3.105 1.00 0.00 C ATOM 0 H LEU A 28 -12.246 17.345 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.669 14.792 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.450 14.964 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.105 16.175 1.332 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.949 14.198 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.764 12.059 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.790 12.637 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.309 12.797 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.795 13.653 3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.341 14.492 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.842 15.405 3.441 1.00 0.00 H new ATOM 387 N HIS A 29 -15.596 15.496 0.547 1.00 0.00 N ATOM 388 CA HIS A 29 -16.818 15.901 1.191 1.00 0.00 C ATOM 389 C HIS A 29 -16.898 15.254 2.564 1.00 0.00 C ATOM 390 O HIS A 29 -16.490 14.108 2.730 1.00 0.00 O ATOM 391 CB HIS A 29 -17.986 15.458 0.315 1.00 0.00 C ATOM 392 CG HIS A 29 -19.338 15.670 0.916 1.00 0.00 C ATOM 393 ND1 HIS A 29 -20.064 16.830 0.763 1.00 0.00 N ATOM 394 CD2 HIS A 29 -20.099 14.848 1.667 1.00 0.00 C ATOM 395 CE1 HIS A 29 -21.214 16.709 1.398 1.00 0.00 C ATOM 396 NE2 HIS A 29 -21.260 15.513 1.955 1.00 0.00 N ATOM 0 H HIS A 29 -15.589 14.520 0.251 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.851 16.983 1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.936 15.997 -0.631 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.868 14.399 0.086 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -19.840 13.848 1.983 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.987 17.461 1.453 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -22.033 15.145 2.509 1.00 0.00 H new ATOM 405 N GLY A 30 -17.398 15.982 3.547 1.00 0.00 N ATOM 406 CA GLY A 30 -17.568 15.402 4.859 1.00 0.00 C ATOM 407 C GLY A 30 -18.860 15.831 5.510 1.00 0.00 C ATOM 408 O GLY A 30 -19.147 17.025 5.616 1.00 0.00 O ATOM 0 H GLY A 30 -17.687 16.956 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.547 14.315 4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.730 15.691 5.493 1.00 0.00 H new ATOM 412 N GLU A 31 -19.639 14.852 5.924 1.00 0.00 N ATOM 413 CA GLU A 31 -20.877 15.086 6.643 1.00 0.00 C ATOM 414 C GLU A 31 -20.946 14.169 7.854 1.00 0.00 C ATOM 415 O GLU A 31 -20.180 13.209 7.932 1.00 0.00 O ATOM 416 CB GLU A 31 -22.086 14.883 5.725 1.00 0.00 C ATOM 417 CG GLU A 31 -22.117 13.542 5.012 1.00 0.00 C ATOM 418 CD GLU A 31 -23.269 13.445 4.034 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.234 14.145 3.001 1.00 0.00 O ATOM 420 OE2 GLU A 31 -24.219 12.679 4.292 1.00 0.00 O ATOM 0 H GLU A 31 -19.430 13.865 5.771 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.898 16.120 6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.996 14.987 6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.097 15.677 4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.177 13.392 4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -22.198 12.742 5.748 1.00 0.00 H new ATOM 427 N LYS A 32 -21.819 14.498 8.810 1.00 0.00 N ATOM 428 CA LYS A 32 -22.078 13.632 9.966 1.00 0.00 C ATOM 429 C LYS A 32 -20.927 13.719 10.978 1.00 0.00 C ATOM 430 O LYS A 32 -20.834 12.932 11.920 1.00 0.00 O ATOM 431 CB LYS A 32 -22.321 12.193 9.477 1.00 0.00 C ATOM 432 CG LYS A 32 -23.133 11.319 10.418 1.00 0.00 C ATOM 433 CD LYS A 32 -22.244 10.432 11.266 1.00 0.00 C ATOM 434 CE LYS A 32 -23.047 9.370 11.989 1.00 0.00 C ATOM 435 NZ LYS A 32 -23.686 8.413 11.046 1.00 0.00 N ATOM 0 H LYS A 32 -22.361 15.362 8.807 1.00 0.00 H new ATOM 0 HA LYS A 32 -22.975 13.968 10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -22.831 12.235 8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -21.356 11.716 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.742 11.950 11.066 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.819 10.700 9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.495 9.956 10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.707 11.042 11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -22.395 8.825 12.671 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.816 9.848 12.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -23.914 7.531 11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.559 8.831 10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -23.032 8.207 10.264 1.00 0.00 H new ATOM 449 N GLY A 33 -20.056 14.700 10.780 1.00 0.00 N ATOM 450 CA GLY A 33 -18.992 14.954 11.731 1.00 0.00 C ATOM 451 C GLY A 33 -17.729 14.180 11.423 1.00 0.00 C ATOM 452 O GLY A 33 -16.709 14.765 11.051 1.00 0.00 O ATOM 0 H GLY A 33 -20.068 15.326 9.975 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -18.766 16.020 11.739 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -19.336 14.694 12.732 1.00 0.00 H new ATOM 456 N LYS A 34 -17.797 12.866 11.570 1.00 0.00 N ATOM 457 CA LYS A 34 -16.639 12.017 11.355 1.00 0.00 C ATOM 458 C LYS A 34 -16.906 11.054 10.220 1.00 0.00 C ATOM 459 O LYS A 34 -16.348 11.190 9.139 1.00 0.00 O ATOM 460 CB LYS A 34 -16.282 11.240 12.626 1.00 0.00 C ATOM 461 CG LYS A 34 -15.890 12.132 13.789 1.00 0.00 C ATOM 462 CD LYS A 34 -15.465 11.325 15.004 1.00 0.00 C ATOM 463 CE LYS A 34 -15.021 12.233 16.139 1.00 0.00 C ATOM 464 NZ LYS A 34 -16.138 13.057 16.672 1.00 0.00 N ATOM 0 H LYS A 34 -18.644 12.365 11.838 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.794 12.655 11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -17.134 10.627 12.919 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.460 10.559 12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.074 12.787 13.485 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.731 12.773 14.055 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.294 10.701 15.337 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.650 10.654 14.731 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.603 11.628 16.943 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.225 12.889 15.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.828 13.544 17.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -16.420 13.761 15.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.948 12.443 16.892 1.00 0.00 H new ATOM 478 N LEU A 35 -17.785 10.095 10.465 1.00 0.00 N ATOM 479 CA LEU A 35 -18.100 9.100 9.461 1.00 0.00 C ATOM 480 C LEU A 35 -18.896 9.723 8.324 1.00 0.00 C ATOM 481 O LEU A 35 -20.022 10.177 8.524 1.00 0.00 O ATOM 482 CB LEU A 35 -18.896 7.944 10.067 1.00 0.00 C ATOM 483 CG LEU A 35 -18.225 7.211 11.231 1.00 0.00 C ATOM 484 CD1 LEU A 35 -19.144 6.128 11.765 1.00 0.00 C ATOM 485 CD2 LEU A 35 -16.899 6.611 10.800 1.00 0.00 C ATOM 0 H LEU A 35 -18.288 9.987 11.346 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.159 8.712 9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -19.856 8.329 10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.106 7.220 9.279 1.00 0.00 H new ATOM 0 HG LEU A 35 -18.030 7.933 12.024 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.657 5.613 12.593 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.073 6.579 12.114 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.364 5.413 10.972 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.441 6.095 11.644 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.067 5.902 9.989 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.235 7.404 10.456 1.00 0.00 H new ATOM 497 N GLY A 36 -18.317 9.725 7.140 1.00 0.00 N ATOM 498 CA GLY A 36 -19.002 10.279 5.986 1.00 0.00 C ATOM 499 C GLY A 36 -18.104 11.149 5.128 1.00 0.00 C ATOM 500 O GLY A 36 -18.529 12.200 4.638 1.00 0.00 O ATOM 0 H GLY A 36 -17.386 9.355 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.398 9.465 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.855 10.868 6.324 1.00 0.00 H new ATOM 504 N GLN A 37 -16.862 10.722 4.950 1.00 0.00 N ATOM 505 CA GLN A 37 -15.943 11.417 4.066 1.00 0.00 C ATOM 506 C GLN A 37 -15.856 10.703 2.723 1.00 0.00 C ATOM 507 O GLN A 37 -15.428 9.551 2.636 1.00 0.00 O ATOM 508 CB GLN A 37 -14.542 11.573 4.689 1.00 0.00 C ATOM 509 CG GLN A 37 -13.941 10.309 5.295 1.00 0.00 C ATOM 510 CD GLN A 37 -14.572 9.940 6.621 1.00 0.00 C ATOM 511 OE1 GLN A 37 -15.513 9.143 6.678 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.091 10.555 7.686 1.00 0.00 N ATOM 0 H GLN A 37 -16.470 9.898 5.406 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.338 12.421 3.910 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.863 11.944 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.593 12.337 5.465 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.064 9.482 4.596 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.869 10.452 5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.312 11.206 7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.499 10.379 8.604 1.00 0.00 H new ATOM 521 N TYR A 38 -16.265 11.401 1.678 1.00 0.00 N ATOM 522 CA TYR A 38 -16.320 10.836 0.339 1.00 0.00 C ATOM 523 C TYR A 38 -15.658 11.769 -0.651 1.00 0.00 C ATOM 524 O TYR A 38 -15.609 12.982 -0.435 1.00 0.00 O ATOM 525 CB TYR A 38 -17.775 10.619 -0.085 1.00 0.00 C ATOM 526 CG TYR A 38 -18.531 9.626 0.769 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.293 8.265 0.652 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.489 10.049 1.682 1.00 0.00 C ATOM 529 CE1 TYR A 38 -18.988 7.351 1.419 1.00 0.00 C ATOM 530 CE2 TYR A 38 -20.186 9.140 2.456 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.930 7.792 2.320 1.00 0.00 C ATOM 532 OH TYR A 38 -20.625 6.882 3.078 1.00 0.00 O ATOM 0 H TYR A 38 -16.568 12.373 1.732 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.795 9.881 0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.296 11.576 -0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.792 10.278 -1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.552 7.914 -0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.692 11.104 1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -18.793 6.294 1.312 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.927 9.484 3.163 1.00 0.00 H new ATOM 0 HH TYR A 38 -21.251 7.355 3.665 1.00 0.00 H new ATOM 542 N ILE A 39 -15.140 11.205 -1.726 1.00 0.00 N ATOM 543 CA ILE A 39 -14.604 12.000 -2.812 1.00 0.00 C ATOM 544 C ILE A 39 -15.758 12.560 -3.627 1.00 0.00 C ATOM 545 O ILE A 39 -16.604 11.814 -4.108 1.00 0.00 O ATOM 546 CB ILE A 39 -13.692 11.171 -3.740 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.664 10.379 -2.931 1.00 0.00 C ATOM 548 CG2 ILE A 39 -12.991 12.078 -4.743 1.00 0.00 C ATOM 549 CD1 ILE A 39 -11.749 11.247 -2.101 1.00 0.00 C ATOM 0 H ILE A 39 -15.080 10.197 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.004 12.800 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.316 10.462 -4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.188 9.685 -2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.062 9.779 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.351 11.478 -5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.736 12.596 -5.347 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.384 12.809 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.047 10.617 -1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.198 11.923 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.341 11.828 -1.394 1.00 0.00 H new ATOM 561 N ARG A 40 -15.800 13.870 -3.764 1.00 0.00 N ATOM 562 CA ARG A 40 -16.886 14.520 -4.481 1.00 0.00 C ATOM 563 C ARG A 40 -16.550 14.675 -5.957 1.00 0.00 C ATOM 564 O ARG A 40 -17.351 14.346 -6.831 1.00 0.00 O ATOM 565 CB ARG A 40 -17.177 15.893 -3.875 1.00 0.00 C ATOM 566 CG ARG A 40 -18.115 16.730 -4.725 1.00 0.00 C ATOM 567 CD ARG A 40 -18.131 18.180 -4.290 1.00 0.00 C ATOM 568 NE ARG A 40 -18.592 19.046 -5.373 1.00 0.00 N ATOM 569 CZ ARG A 40 -18.522 20.372 -5.358 1.00 0.00 C ATOM 570 NH1 ARG A 40 -18.004 21.004 -4.314 1.00 0.00 N ATOM 571 NH2 ARG A 40 -18.942 21.060 -6.407 1.00 0.00 N ATOM 0 H ARG A 40 -15.097 14.507 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.771 13.890 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.613 15.762 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.239 16.431 -3.742 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.810 16.668 -5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.124 16.321 -4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.782 18.296 -3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.131 18.481 -3.979 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.995 18.601 -6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.656 20.472 -3.516 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.953 22.023 -4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.317 20.572 -7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.891 22.079 -6.402 1.00 0.00 H new ATOM 585 N LEU A 41 -15.356 15.171 -6.229 1.00 0.00 N ATOM 586 CA LEU A 41 -14.975 15.521 -7.584 1.00 0.00 C ATOM 587 C LEU A 41 -13.493 15.278 -7.808 1.00 0.00 C ATOM 588 O LEU A 41 -12.663 15.674 -6.990 1.00 0.00 O ATOM 589 CB LEU A 41 -15.310 16.990 -7.844 1.00 0.00 C ATOM 590 CG LEU A 41 -14.919 17.518 -9.223 1.00 0.00 C ATOM 591 CD1 LEU A 41 -15.695 16.796 -10.312 1.00 0.00 C ATOM 592 CD2 LEU A 41 -15.155 19.016 -9.300 1.00 0.00 C ATOM 0 H LEU A 41 -14.634 15.340 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.531 14.891 -8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.383 17.129 -7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.814 17.598 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.857 17.327 -9.379 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.403 17.186 -11.287 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.477 15.729 -10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.763 16.954 -10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.872 19.379 -10.288 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.210 19.228 -9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.553 19.519 -8.543 1.00 0.00 H new ATOM 604 N VAL A 42 -13.177 14.628 -8.916 1.00 0.00 N ATOM 605 CA VAL A 42 -11.796 14.386 -9.309 1.00 0.00 C ATOM 606 C VAL A 42 -11.524 15.098 -10.622 1.00 0.00 C ATOM 607 O VAL A 42 -12.202 14.853 -11.618 1.00 0.00 O ATOM 608 CB VAL A 42 -11.493 12.879 -9.474 1.00 0.00 C ATOM 609 CG1 VAL A 42 -10.045 12.657 -9.889 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.796 12.127 -8.191 1.00 0.00 C ATOM 0 H VAL A 42 -13.867 14.254 -9.567 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.150 14.769 -8.519 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.138 12.492 -10.263 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.858 11.589 -9.998 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.858 13.157 -10.839 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.381 13.066 -9.127 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.576 11.068 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.181 12.523 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.849 12.249 -7.938 1.00 0.00 H new ATOM 620 N GLU A 43 -10.558 15.993 -10.612 1.00 0.00 N ATOM 621 CA GLU A 43 -10.243 16.781 -11.786 1.00 0.00 C ATOM 622 C GLU A 43 -9.461 15.931 -12.786 1.00 0.00 C ATOM 623 O GLU A 43 -8.543 15.205 -12.415 1.00 0.00 O ATOM 624 CB GLU A 43 -9.449 18.014 -11.361 1.00 0.00 C ATOM 625 CG GLU A 43 -9.519 19.152 -12.357 1.00 0.00 C ATOM 626 CD GLU A 43 -9.009 20.452 -11.784 1.00 0.00 C ATOM 627 OE1 GLU A 43 -9.799 21.176 -11.136 1.00 0.00 O ATOM 628 OE2 GLU A 43 -7.819 20.765 -11.984 1.00 0.00 O ATOM 0 H GLU A 43 -9.975 16.194 -9.800 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.160 17.111 -12.275 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.822 18.362 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.406 17.732 -11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.935 18.894 -13.241 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.551 19.282 -12.684 1.00 0.00 H new ATOM 635 N PRO A 44 -9.833 16.014 -14.076 1.00 0.00 N ATOM 636 CA PRO A 44 -9.267 15.174 -15.147 1.00 0.00 C ATOM 637 C PRO A 44 -7.746 15.262 -15.258 1.00 0.00 C ATOM 638 O PRO A 44 -7.102 14.335 -15.746 1.00 0.00 O ATOM 639 CB PRO A 44 -9.917 15.725 -16.424 1.00 0.00 C ATOM 640 CG PRO A 44 -10.445 17.064 -16.040 1.00 0.00 C ATOM 641 CD PRO A 44 -10.849 16.938 -14.605 1.00 0.00 C ATOM 0 HA PRO A 44 -9.468 14.120 -14.957 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.192 15.804 -17.234 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.716 15.071 -16.774 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -9.686 17.836 -16.168 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.294 17.345 -16.663 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.832 17.899 -14.091 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.857 16.538 -14.500 1.00 0.00 H new ATOM 649 N GLY A 45 -7.181 16.377 -14.817 1.00 0.00 N ATOM 650 CA GLY A 45 -5.742 16.560 -14.894 1.00 0.00 C ATOM 651 C GLY A 45 -5.076 16.532 -13.531 1.00 0.00 C ATOM 652 O GLY A 45 -4.065 17.202 -13.312 1.00 0.00 O ATOM 0 H GLY A 45 -7.691 17.159 -14.407 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.313 15.777 -15.520 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.526 17.511 -15.380 1.00 0.00 H new ATOM 656 N SER A 46 -5.637 15.759 -12.615 1.00 0.00 N ATOM 657 CA SER A 46 -5.108 15.671 -11.262 1.00 0.00 C ATOM 658 C SER A 46 -4.318 14.381 -11.079 1.00 0.00 C ATOM 659 O SER A 46 -4.569 13.386 -11.762 1.00 0.00 O ATOM 660 CB SER A 46 -6.255 15.713 -10.252 1.00 0.00 C ATOM 661 OG SER A 46 -7.089 14.573 -10.379 1.00 0.00 O ATOM 0 H SER A 46 -6.461 15.182 -12.784 1.00 0.00 H new ATOM 0 HA SER A 46 -4.443 16.519 -11.096 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.851 15.761 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.844 16.617 -10.404 1.00 0.00 H new ATOM 0 HG SER A 46 -7.700 14.697 -11.135 1.00 0.00 H new ATOM 667 N PRO A 47 -3.332 14.388 -10.170 1.00 0.00 N ATOM 668 CA PRO A 47 -2.608 13.177 -9.773 1.00 0.00 C ATOM 669 C PRO A 47 -3.524 12.154 -9.092 1.00 0.00 C ATOM 670 O PRO A 47 -3.151 10.994 -8.914 1.00 0.00 O ATOM 671 CB PRO A 47 -1.554 13.682 -8.786 1.00 0.00 C ATOM 672 CG PRO A 47 -1.455 15.149 -9.029 1.00 0.00 C ATOM 673 CD PRO A 47 -2.813 15.584 -9.485 1.00 0.00 C ATOM 0 HA PRO A 47 -2.184 12.662 -10.635 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.847 13.473 -7.757 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.595 13.191 -8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -1.161 15.676 -8.121 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.701 15.369 -9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.446 15.875 -8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.758 16.441 -10.156 1.00 0.00 H new ATOM 681 N ALA A 48 -4.714 12.601 -8.696 1.00 0.00 N ATOM 682 CA ALA A 48 -5.709 11.720 -8.096 1.00 0.00 C ATOM 683 C ALA A 48 -6.144 10.642 -9.084 1.00 0.00 C ATOM 684 O ALA A 48 -6.170 9.454 -8.752 1.00 0.00 O ATOM 685 CB ALA A 48 -6.915 12.525 -7.625 1.00 0.00 C ATOM 0 H ALA A 48 -5.012 13.573 -8.781 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.256 11.231 -7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.649 11.854 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.596 13.258 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.363 13.040 -8.475 1.00 0.00 H new ATOM 691 N GLU A 49 -6.464 11.058 -10.306 1.00 0.00 N ATOM 692 CA GLU A 49 -6.880 10.118 -11.341 1.00 0.00 C ATOM 693 C GLU A 49 -5.698 9.256 -11.777 1.00 0.00 C ATOM 694 O GLU A 49 -5.880 8.129 -12.237 1.00 0.00 O ATOM 695 CB GLU A 49 -7.536 10.849 -12.527 1.00 0.00 C ATOM 696 CG GLU A 49 -6.603 11.708 -13.370 1.00 0.00 C ATOM 697 CD GLU A 49 -5.913 10.921 -14.467 1.00 0.00 C ATOM 698 OE1 GLU A 49 -6.617 10.356 -15.332 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.666 10.850 -14.465 1.00 0.00 O ATOM 0 H GLU A 49 -6.443 12.034 -10.602 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.639 9.454 -10.926 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.002 10.107 -13.175 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.335 11.483 -12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.172 12.524 -13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.850 12.160 -12.725 1.00 0.00 H new ATOM 706 N LYS A 50 -4.486 9.798 -11.632 1.00 0.00 N ATOM 707 CA LYS A 50 -3.264 9.043 -11.907 1.00 0.00 C ATOM 708 C LYS A 50 -3.219 7.783 -11.058 1.00 0.00 C ATOM 709 O LYS A 50 -2.886 6.702 -11.544 1.00 0.00 O ATOM 710 CB LYS A 50 -2.023 9.886 -11.593 1.00 0.00 C ATOM 711 CG LYS A 50 -1.675 10.922 -12.645 1.00 0.00 C ATOM 712 CD LYS A 50 -1.015 10.288 -13.860 1.00 0.00 C ATOM 713 CE LYS A 50 0.258 9.539 -13.481 1.00 0.00 C ATOM 714 NZ LYS A 50 1.280 10.428 -12.858 1.00 0.00 N ATOM 0 H LYS A 50 -4.326 10.758 -11.325 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.268 8.779 -12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.177 10.393 -10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.171 9.219 -11.464 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.580 11.446 -12.954 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.006 11.668 -12.215 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.714 9.601 -14.337 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.779 11.061 -14.591 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.010 8.735 -12.788 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.680 9.073 -14.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.144 9.882 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.502 11.210 -13.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.908 10.813 -11.966 1.00 0.00 H new ATOM 728 N ALA A 51 -3.560 7.934 -9.786 1.00 0.00 N ATOM 729 CA ALA A 51 -3.543 6.820 -8.853 1.00 0.00 C ATOM 730 C ALA A 51 -4.719 5.883 -9.093 1.00 0.00 C ATOM 731 O ALA A 51 -4.605 4.668 -8.930 1.00 0.00 O ATOM 732 CB ALA A 51 -3.553 7.334 -7.421 1.00 0.00 C ATOM 0 H ALA A 51 -3.853 8.821 -9.377 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.627 6.253 -9.017 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.540 6.490 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.673 7.955 -7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.453 7.926 -7.253 1.00 0.00 H new ATOM 738 N GLY A 52 -5.841 6.453 -9.501 1.00 0.00 N ATOM 739 CA GLY A 52 -7.030 5.661 -9.745 1.00 0.00 C ATOM 740 C GLY A 52 -8.130 5.959 -8.750 1.00 0.00 C ATOM 741 O GLY A 52 -9.065 5.174 -8.595 1.00 0.00 O ATOM 0 H GLY A 52 -5.951 7.453 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.393 5.855 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.775 4.602 -9.696 1.00 0.00 H new ATOM 745 N LEU A 53 -7.999 7.088 -8.069 1.00 0.00 N ATOM 746 CA LEU A 53 -8.995 7.542 -7.112 1.00 0.00 C ATOM 747 C LEU A 53 -10.225 8.062 -7.858 1.00 0.00 C ATOM 748 O LEU A 53 -10.101 8.873 -8.777 1.00 0.00 O ATOM 749 CB LEU A 53 -8.364 8.632 -6.231 1.00 0.00 C ATOM 750 CG LEU A 53 -9.231 9.192 -5.106 1.00 0.00 C ATOM 751 CD1 LEU A 53 -8.379 9.430 -3.871 1.00 0.00 C ATOM 752 CD2 LEU A 53 -9.890 10.493 -5.536 1.00 0.00 C ATOM 0 H LEU A 53 -7.200 7.714 -8.165 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.320 6.721 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.453 8.228 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.066 9.459 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.011 8.467 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.002 9.830 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.934 8.488 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.589 10.143 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.504 10.877 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.122 11.224 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.518 10.312 -6.409 1.00 0.00 H new ATOM 764 N LEU A 54 -11.405 7.586 -7.475 1.00 0.00 N ATOM 765 CA LEU A 54 -12.627 7.914 -8.197 1.00 0.00 C ATOM 766 C LEU A 54 -13.481 8.910 -7.428 1.00 0.00 C ATOM 767 O LEU A 54 -13.415 8.997 -6.199 1.00 0.00 O ATOM 768 CB LEU A 54 -13.443 6.645 -8.463 1.00 0.00 C ATOM 769 CG LEU A 54 -12.775 5.611 -9.367 1.00 0.00 C ATOM 770 CD1 LEU A 54 -13.645 4.370 -9.492 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.500 6.209 -10.737 1.00 0.00 C ATOM 0 H LEU A 54 -11.540 6.973 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.335 8.370 -9.143 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.670 6.173 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.394 6.933 -8.911 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.825 5.319 -8.918 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.153 3.644 -10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.797 3.931 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.609 4.643 -9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.024 5.461 -11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.439 6.525 -11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -11.840 7.070 -10.632 1.00 0.00 H new ATOM 783 N ALA A 55 -14.286 9.660 -8.169 1.00 0.00 N ATOM 784 CA ALA A 55 -15.171 10.651 -7.582 1.00 0.00 C ATOM 785 C ALA A 55 -16.406 9.983 -6.995 1.00 0.00 C ATOM 786 O ALA A 55 -17.451 9.902 -7.639 1.00 0.00 O ATOM 787 CB ALA A 55 -15.564 11.692 -8.620 1.00 0.00 C ATOM 0 H ALA A 55 -14.342 9.598 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.640 11.155 -6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.227 12.427 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.669 12.191 -8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.078 11.204 -9.448 1.00 0.00 H new ATOM 793 N GLY A 56 -16.267 9.494 -5.776 1.00 0.00 N ATOM 794 CA GLY A 56 -17.372 8.846 -5.104 1.00 0.00 C ATOM 795 C GLY A 56 -16.913 7.895 -4.015 1.00 0.00 C ATOM 796 O GLY A 56 -17.717 7.461 -3.190 1.00 0.00 O ATOM 0 H GLY A 56 -15.403 9.534 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.023 9.604 -4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.966 8.297 -5.835 1.00 0.00 H new ATOM 800 N ASP A 57 -15.617 7.585 -4.004 1.00 0.00 N ATOM 801 CA ASP A 57 -15.058 6.629 -3.054 1.00 0.00 C ATOM 802 C ASP A 57 -15.009 7.210 -1.649 1.00 0.00 C ATOM 803 O ASP A 57 -14.950 8.428 -1.467 1.00 0.00 O ATOM 804 CB ASP A 57 -13.637 6.227 -3.461 1.00 0.00 C ATOM 805 CG ASP A 57 -13.565 5.507 -4.792 1.00 0.00 C ATOM 806 OD1 ASP A 57 -14.408 4.619 -5.042 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.663 5.831 -5.592 1.00 0.00 O ATOM 0 H ASP A 57 -14.933 7.985 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.709 5.755 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.015 7.121 -3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.215 5.585 -2.688 1.00 0.00 H new ATOM 812 N ARG A 58 -15.036 6.329 -0.661 1.00 0.00 N ATOM 813 CA ARG A 58 -14.798 6.721 0.719 1.00 0.00 C ATOM 814 C ARG A 58 -13.355 6.408 1.089 1.00 0.00 C ATOM 815 O ARG A 58 -12.844 5.333 0.768 1.00 0.00 O ATOM 816 CB ARG A 58 -15.770 6.023 1.682 1.00 0.00 C ATOM 817 CG ARG A 58 -15.927 4.528 1.444 1.00 0.00 C ATOM 818 CD ARG A 58 -16.889 3.890 2.437 1.00 0.00 C ATOM 819 NE ARG A 58 -16.270 3.651 3.742 1.00 0.00 N ATOM 820 CZ ARG A 58 -16.888 3.049 4.763 1.00 0.00 C ATOM 821 NH1 ARG A 58 -18.160 2.685 4.657 1.00 0.00 N ATOM 822 NH2 ARG A 58 -16.226 2.812 5.884 1.00 0.00 N ATOM 0 H ARG A 58 -15.221 5.334 -0.790 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.973 7.793 0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.426 6.182 2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -16.748 6.497 1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.288 4.358 0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.953 4.044 1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.758 4.536 2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.251 2.945 2.032 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.309 3.963 3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.671 2.864 3.793 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.626 2.226 5.440 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -15.248 3.088 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.694 2.353 6.665 1.00 0.00 H new ATOM 836 N LEU A 59 -12.702 7.353 1.741 1.00 0.00 N ATOM 837 CA LEU A 59 -11.291 7.216 2.066 1.00 0.00 C ATOM 838 C LEU A 59 -11.111 6.350 3.306 1.00 0.00 C ATOM 839 O LEU A 59 -11.647 6.653 4.370 1.00 0.00 O ATOM 840 CB LEU A 59 -10.669 8.593 2.278 1.00 0.00 C ATOM 841 CG LEU A 59 -9.151 8.601 2.448 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.477 7.966 1.243 1.00 0.00 C ATOM 843 CD2 LEU A 59 -8.656 10.020 2.643 1.00 0.00 C ATOM 0 H LEU A 59 -13.126 8.225 2.057 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.784 6.728 1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.927 9.225 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.120 9.046 3.161 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.896 8.016 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.396 7.980 1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.816 6.935 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.735 8.526 0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.573 10.014 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.921 10.621 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.118 10.447 3.533 1.00 0.00 H new ATOM 855 N VAL A 60 -10.347 5.277 3.154 1.00 0.00 N ATOM 856 CA VAL A 60 -10.189 4.288 4.210 1.00 0.00 C ATOM 857 C VAL A 60 -9.030 4.634 5.141 1.00 0.00 C ATOM 858 O VAL A 60 -9.206 4.748 6.356 1.00 0.00 O ATOM 859 CB VAL A 60 -9.951 2.885 3.616 1.00 0.00 C ATOM 860 CG1 VAL A 60 -9.826 1.846 4.719 1.00 0.00 C ATOM 861 CG2 VAL A 60 -11.067 2.515 2.651 1.00 0.00 C ATOM 0 H VAL A 60 -9.824 5.069 2.303 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.115 4.292 4.786 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.013 2.905 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.659 0.864 4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.986 2.101 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.744 1.827 5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.881 1.522 2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.020 2.517 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.101 3.241 1.838 1.00 0.00 H new ATOM 871 N GLU A 61 -7.846 4.809 4.578 1.00 0.00 N ATOM 872 CA GLU A 61 -6.672 5.059 5.394 1.00 0.00 C ATOM 873 C GLU A 61 -5.765 6.101 4.764 1.00 0.00 C ATOM 874 O GLU A 61 -5.890 6.417 3.580 1.00 0.00 O ATOM 875 CB GLU A 61 -5.907 3.749 5.660 1.00 0.00 C ATOM 876 CG GLU A 61 -5.423 3.012 4.415 1.00 0.00 C ATOM 877 CD GLU A 61 -4.173 3.618 3.802 1.00 0.00 C ATOM 878 OE1 GLU A 61 -3.137 3.684 4.502 1.00 0.00 O ATOM 879 OE2 GLU A 61 -4.221 4.026 2.629 1.00 0.00 O ATOM 0 H GLU A 61 -7.674 4.783 3.573 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.011 5.459 6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.045 3.972 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.552 3.080 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.225 1.972 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.219 3.010 3.671 1.00 0.00 H new ATOM 886 N VAL A 62 -4.885 6.649 5.585 1.00 0.00 N ATOM 887 CA VAL A 62 -3.863 7.574 5.137 1.00 0.00 C ATOM 888 C VAL A 62 -2.545 7.225 5.811 1.00 0.00 C ATOM 889 O VAL A 62 -2.434 7.283 7.039 1.00 0.00 O ATOM 890 CB VAL A 62 -4.218 9.051 5.448 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.056 9.975 5.109 1.00 0.00 C ATOM 892 CG2 VAL A 62 -5.467 9.480 4.693 1.00 0.00 C ATOM 0 H VAL A 62 -4.861 6.462 6.587 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.786 7.478 4.054 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.417 9.125 6.517 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.332 11.005 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.184 9.694 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.820 9.889 4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.695 10.520 4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.297 9.379 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.305 8.849 4.988 1.00 0.00 H new ATOM 902 N ASN A 63 -1.576 6.809 5.006 1.00 0.00 N ATOM 903 CA ASN A 63 -0.220 6.532 5.485 1.00 0.00 C ATOM 904 C ASN A 63 -0.174 5.295 6.382 1.00 0.00 C ATOM 905 O ASN A 63 0.715 5.165 7.226 1.00 0.00 O ATOM 906 CB ASN A 63 0.364 7.743 6.232 1.00 0.00 C ATOM 907 CG ASN A 63 0.670 8.927 5.324 1.00 0.00 C ATOM 908 OD1 ASN A 63 1.182 8.658 4.131 1.00 0.00 O flip ATOM 909 ND2 ASN A 63 0.486 10.080 5.710 1.00 0.00 N flip ATOM 0 H ASN A 63 -1.703 6.653 4.006 1.00 0.00 H new ATOM 0 HA ASN A 63 0.390 6.334 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.340 8.058 7.002 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.279 7.439 6.741 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.090 10.251 6.634 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.729 10.865 5.106 1.00 0.00 H new ATOM 916 N GLY A 64 -1.131 4.388 6.210 1.00 0.00 N ATOM 917 CA GLY A 64 -1.085 3.127 6.928 1.00 0.00 C ATOM 918 C GLY A 64 -2.181 2.969 7.965 1.00 0.00 C ATOM 919 O GLY A 64 -2.552 1.845 8.309 1.00 0.00 O ATOM 0 H GLY A 64 -1.933 4.502 5.590 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.156 2.309 6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.117 3.036 7.420 1.00 0.00 H new ATOM 923 N GLU A 65 -2.706 4.078 8.467 1.00 0.00 N ATOM 924 CA GLU A 65 -3.682 4.028 9.548 1.00 0.00 C ATOM 925 C GLU A 65 -5.058 4.507 9.089 1.00 0.00 C ATOM 926 O GLU A 65 -5.175 5.397 8.242 1.00 0.00 O ATOM 927 CB GLU A 65 -3.177 4.849 10.734 1.00 0.00 C ATOM 928 CG GLU A 65 -2.767 6.264 10.374 1.00 0.00 C ATOM 929 CD GLU A 65 -1.884 6.889 11.433 1.00 0.00 C ATOM 930 OE1 GLU A 65 -0.661 6.637 11.415 1.00 0.00 O ATOM 931 OE2 GLU A 65 -2.403 7.630 12.292 1.00 0.00 O ATOM 0 H GLU A 65 -2.475 5.018 8.146 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.799 2.990 9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.958 4.890 11.493 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.325 4.337 11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.239 6.256 9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.659 6.876 10.239 1.00 0.00 H new ATOM 938 N ASN A 66 -6.092 3.906 9.669 1.00 0.00 N ATOM 939 CA ASN A 66 -7.471 4.146 9.260 1.00 0.00 C ATOM 940 C ASN A 66 -7.927 5.541 9.654 1.00 0.00 C ATOM 941 O ASN A 66 -7.856 5.926 10.823 1.00 0.00 O ATOM 942 CB ASN A 66 -8.395 3.099 9.889 1.00 0.00 C ATOM 943 CG ASN A 66 -9.841 3.279 9.471 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.606 4.000 10.114 1.00 0.00 O ATOM 945 ND2 ASN A 66 -10.226 2.622 8.391 1.00 0.00 N ATOM 0 H ASN A 66 -5.997 3.239 10.435 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.519 4.066 8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.058 2.103 9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.323 3.160 10.975 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.188 2.702 8.061 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.561 2.035 7.887 1.00 0.00 H new ATOM 952 N VAL A 67 -8.397 6.291 8.672 1.00 0.00 N ATOM 953 CA VAL A 67 -8.841 7.658 8.902 1.00 0.00 C ATOM 954 C VAL A 67 -10.344 7.793 8.697 1.00 0.00 C ATOM 955 O VAL A 67 -10.873 8.901 8.673 1.00 0.00 O ATOM 956 CB VAL A 67 -8.111 8.654 7.980 1.00 0.00 C ATOM 957 CG1 VAL A 67 -6.617 8.645 8.265 1.00 0.00 C ATOM 958 CG2 VAL A 67 -8.387 8.330 6.519 1.00 0.00 C ATOM 0 H VAL A 67 -8.482 5.977 7.705 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.599 7.895 9.938 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.490 9.656 8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.116 9.354 7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.443 8.930 9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.220 7.645 8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.863 9.044 5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.037 7.322 6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.458 8.392 6.329 1.00 0.00 H new ATOM 968 N GLU A 68 -11.030 6.661 8.572 1.00 0.00 N ATOM 969 CA GLU A 68 -12.477 6.664 8.371 1.00 0.00 C ATOM 970 C GLU A 68 -13.185 7.204 9.606 1.00 0.00 C ATOM 971 O GLU A 68 -14.289 7.731 9.522 1.00 0.00 O ATOM 972 CB GLU A 68 -12.992 5.254 8.069 1.00 0.00 C ATOM 973 CG GLU A 68 -12.409 4.643 6.808 1.00 0.00 C ATOM 974 CD GLU A 68 -12.945 3.257 6.522 1.00 0.00 C ATOM 975 OE1 GLU A 68 -12.627 2.323 7.286 1.00 0.00 O ATOM 976 OE2 GLU A 68 -13.680 3.090 5.527 1.00 0.00 O ATOM 0 H GLU A 68 -10.610 5.732 8.606 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.692 7.309 7.519 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.763 4.605 8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.078 5.286 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.627 5.293 5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.324 4.595 6.902 1.00 0.00 H new ATOM 983 N LYS A 69 -12.534 7.071 10.754 1.00 0.00 N ATOM 984 CA LYS A 69 -13.140 7.455 12.021 1.00 0.00 C ATOM 985 C LYS A 69 -12.751 8.884 12.392 1.00 0.00 C ATOM 986 O LYS A 69 -13.208 9.423 13.401 1.00 0.00 O ATOM 987 CB LYS A 69 -12.704 6.483 13.121 1.00 0.00 C ATOM 988 CG LYS A 69 -12.679 5.024 12.675 1.00 0.00 C ATOM 989 CD LYS A 69 -14.045 4.548 12.210 1.00 0.00 C ATOM 990 CE LYS A 69 -13.962 3.196 11.513 1.00 0.00 C ATOM 991 NZ LYS A 69 -13.478 2.120 12.420 1.00 0.00 N ATOM 0 H LYS A 69 -11.587 6.700 10.834 1.00 0.00 H new ATOM 0 HA LYS A 69 -14.224 7.412 11.918 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.710 6.764 13.469 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.380 6.583 13.971 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.959 4.904 11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.338 4.398 13.500 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.716 4.476 13.066 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.474 5.283 11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.946 2.928 11.128 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.294 3.273 10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.471 1.213 11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.515 2.344 12.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.110 2.049 13.243 1.00 0.00 H new ATOM 1005 N GLU A 70 -11.907 9.488 11.565 1.00 0.00 N ATOM 1006 CA GLU A 70 -11.465 10.859 11.773 1.00 0.00 C ATOM 1007 C GLU A 70 -12.505 11.832 11.237 1.00 0.00 C ATOM 1008 O GLU A 70 -13.383 11.449 10.466 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.134 11.093 11.059 1.00 0.00 C ATOM 1010 CG GLU A 70 -8.988 10.260 11.599 1.00 0.00 C ATOM 1011 CD GLU A 70 -8.520 10.729 12.965 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -9.216 10.473 13.965 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -7.450 11.373 13.041 1.00 0.00 O ATOM 0 H GLU A 70 -11.512 9.044 10.736 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.336 11.025 12.842 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.259 10.875 9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.872 12.148 11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.300 9.218 11.664 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.153 10.300 10.899 1.00 0.00 H new ATOM 1020 N THR A 71 -12.405 13.089 11.639 1.00 0.00 N ATOM 1021 CA THR A 71 -13.310 14.102 11.138 1.00 0.00 C ATOM 1022 C THR A 71 -12.864 14.541 9.749 1.00 0.00 C ATOM 1023 O THR A 71 -11.734 14.259 9.347 1.00 0.00 O ATOM 1024 CB THR A 71 -13.368 15.336 12.063 1.00 0.00 C ATOM 1025 OG1 THR A 71 -12.132 16.059 12.010 1.00 0.00 O ATOM 1026 CG2 THR A 71 -13.641 14.924 13.501 1.00 0.00 C ATOM 0 H THR A 71 -11.711 13.427 12.306 1.00 0.00 H new ATOM 0 HA THR A 71 -14.307 13.663 11.100 1.00 0.00 H new ATOM 0 HB THR A 71 -14.180 15.974 11.714 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.184 16.840 12.600 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.677 15.811 14.133 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.596 14.401 13.555 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.846 14.264 13.848 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.726 15.235 9.025 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.378 15.724 7.694 1.00 0.00 C ATOM 1036 C HIS A 72 -12.110 16.579 7.757 1.00 0.00 C ATOM 1037 O HIS A 72 -11.232 16.468 6.899 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.560 16.511 7.113 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.248 17.311 5.873 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.444 16.830 4.595 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -13.780 18.578 5.725 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -14.111 17.762 3.719 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.708 18.829 4.378 1.00 0.00 N ATOM 0 H HIS A 72 -14.669 15.474 9.331 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.171 14.880 7.036 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.364 15.812 6.883 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.937 17.189 7.879 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.792 15.900 4.362 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.514 19.260 6.519 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.161 17.665 2.645 1.00 0.00 H new ATOM 1052 N GLN A 73 -12.014 17.400 8.792 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.849 18.252 9.003 1.00 0.00 C ATOM 1054 C GLN A 73 -9.591 17.414 9.232 1.00 0.00 C ATOM 1055 O GLN A 73 -8.548 17.663 8.626 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.095 19.168 10.202 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.872 19.957 10.642 1.00 0.00 C ATOM 1058 CD GLN A 73 -10.131 20.791 11.882 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -11.352 21.280 12.028 1.00 0.00 O flip ATOM 1060 NE2 GLN A 73 -9.234 21.004 12.695 1.00 0.00 N flip ATOM 0 H GLN A 73 -12.736 17.496 9.506 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.694 18.856 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.895 19.866 9.954 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.446 18.566 11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.051 19.268 10.837 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.554 20.610 9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.306 20.608 12.546 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.418 21.576 13.519 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.710 16.415 10.101 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.587 15.554 10.457 1.00 0.00 C ATOM 1071 C GLN A 74 -8.025 14.848 9.231 1.00 0.00 C ATOM 1072 O GLN A 74 -6.811 14.826 9.015 1.00 0.00 O ATOM 1073 CB GLN A 74 -9.030 14.519 11.495 1.00 0.00 C ATOM 1074 CG GLN A 74 -9.418 15.123 12.832 1.00 0.00 C ATOM 1075 CD GLN A 74 -8.229 15.651 13.609 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -7.820 16.800 13.444 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.689 14.823 14.486 1.00 0.00 N ATOM 0 H GLN A 74 -10.582 16.180 10.576 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.801 16.180 10.880 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.878 13.960 11.099 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.222 13.804 11.650 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -10.126 15.935 12.666 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.931 14.370 13.430 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.059 13.878 14.591 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.902 15.129 15.058 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.916 14.285 8.424 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.512 13.529 7.247 1.00 0.00 C ATOM 1088 C VAL A 75 -7.812 14.428 6.227 1.00 0.00 C ATOM 1089 O VAL A 75 -6.735 14.095 5.731 1.00 0.00 O ATOM 1090 CB VAL A 75 -9.717 12.835 6.575 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.247 11.891 5.487 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -10.552 12.077 7.595 1.00 0.00 C ATOM 0 H VAL A 75 -9.925 14.338 8.564 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.814 12.764 7.589 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.341 13.609 6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.109 11.411 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.696 12.452 4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.598 11.131 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.393 11.599 7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.937 11.317 8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.926 12.771 8.348 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.412 15.583 5.935 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.863 16.496 4.934 1.00 0.00 C ATOM 1104 C VAL A 76 -6.484 17.001 5.353 1.00 0.00 C ATOM 1105 O VAL A 76 -5.585 17.154 4.519 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.802 17.698 4.682 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -8.160 18.710 3.743 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -10.125 17.221 4.108 1.00 0.00 C ATOM 0 H VAL A 76 -9.273 15.906 6.375 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.770 15.932 4.006 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.984 18.189 5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.844 19.544 3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.234 19.079 4.184 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.942 18.233 2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.777 18.078 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.947 16.704 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.602 16.538 4.811 1.00 0.00 H new ATOM 1118 N SER A 77 -6.320 17.229 6.652 1.00 0.00 N ATOM 1119 CA SER A 77 -5.054 17.699 7.191 1.00 0.00 C ATOM 1120 C SER A 77 -3.936 16.705 6.882 1.00 0.00 C ATOM 1121 O SER A 77 -2.838 17.098 6.486 1.00 0.00 O ATOM 1122 CB SER A 77 -5.168 17.922 8.704 1.00 0.00 C ATOM 1123 OG SER A 77 -3.994 18.526 9.226 1.00 0.00 O ATOM 0 H SER A 77 -7.051 17.095 7.350 1.00 0.00 H new ATOM 0 HA SER A 77 -4.810 18.649 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.030 18.554 8.917 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.341 16.968 9.202 1.00 0.00 H new ATOM 0 HG SER A 77 -4.096 18.658 10.192 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.225 15.415 7.037 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.232 14.375 6.793 1.00 0.00 C ATOM 1131 C ARG A 78 -2.854 14.306 5.318 1.00 0.00 C ATOM 1132 O ARG A 78 -1.682 14.163 4.975 1.00 0.00 O ATOM 1133 CB ARG A 78 -3.748 13.008 7.235 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.086 12.908 8.710 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.397 11.474 9.090 1.00 0.00 C ATOM 1136 NE ARG A 78 -4.879 11.347 10.461 1.00 0.00 N ATOM 1137 CZ ARG A 78 -4.461 10.410 11.304 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -3.434 9.640 10.974 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.047 10.270 12.489 1.00 0.00 N ATOM 0 H ARG A 78 -5.138 15.067 7.330 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.350 14.636 7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.638 12.765 6.654 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.996 12.256 6.996 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.250 13.275 9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.942 13.544 8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.147 11.076 8.407 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.500 10.867 8.967 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.576 12.015 10.790 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.968 9.768 10.076 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.109 8.919 11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.819 10.883 12.752 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.725 9.550 13.135 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.856 14.405 4.452 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.633 14.311 3.012 1.00 0.00 C ATOM 1155 C ILE A 79 -2.721 15.440 2.536 1.00 0.00 C ATOM 1156 O ILE A 79 -1.769 15.213 1.790 1.00 0.00 O ATOM 1157 CB ILE A 79 -4.964 14.370 2.227 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -5.942 13.314 2.750 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.711 14.165 0.739 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.303 13.369 2.088 1.00 0.00 C ATOM 0 H ILE A 79 -4.829 14.550 4.720 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.157 13.349 2.821 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.407 15.355 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.512 12.324 2.596 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.064 13.445 3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.657 14.209 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.047 14.947 0.372 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.248 13.191 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.943 12.593 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.754 14.346 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.193 13.208 1.016 1.00 0.00 H new ATOM 1172 N ARG A 80 -3.009 16.651 2.987 1.00 0.00 N ATOM 1173 CA ARG A 80 -2.226 17.814 2.600 1.00 0.00 C ATOM 1174 C ARG A 80 -0.837 17.795 3.238 1.00 0.00 C ATOM 1175 O ARG A 80 0.090 18.418 2.726 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.952 19.105 2.970 1.00 0.00 C ATOM 1177 CG ARG A 80 -4.142 19.420 2.074 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.771 20.754 2.445 1.00 0.00 C ATOM 1179 NE ARG A 80 -5.789 21.176 1.483 1.00 0.00 N ATOM 1180 CZ ARG A 80 -6.358 22.381 1.488 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -6.013 23.275 2.405 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -7.267 22.694 0.576 1.00 0.00 N ATOM 0 H ARG A 80 -3.781 16.854 3.622 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.103 17.775 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.295 19.035 4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -2.246 19.934 2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.821 19.443 1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.886 18.628 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -5.220 20.678 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.993 21.515 2.505 1.00 0.00 H new ATOM 0 HE ARG A 80 -6.080 20.510 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.311 23.040 3.107 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.449 24.197 2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.534 22.011 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.700 23.617 0.584 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.706 17.094 4.359 1.00 0.00 N ATOM 1197 CA ALA A 81 0.554 17.036 5.097 1.00 0.00 C ATOM 1198 C ALA A 81 1.674 16.383 4.284 1.00 0.00 C ATOM 1199 O ALA A 81 2.856 16.607 4.554 1.00 0.00 O ATOM 1200 CB ALA A 81 0.354 16.286 6.403 1.00 0.00 C ATOM 0 H ALA A 81 -1.462 16.554 4.780 1.00 0.00 H new ATOM 0 HA ALA A 81 0.859 18.062 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.297 16.247 6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.393 16.801 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.014 15.272 6.192 1.00 0.00 H new ATOM 1206 N ALA A 82 1.305 15.584 3.290 1.00 0.00 N ATOM 1207 CA ALA A 82 2.284 14.893 2.460 1.00 0.00 C ATOM 1208 C ALA A 82 3.086 15.874 1.605 1.00 0.00 C ATOM 1209 O ALA A 82 2.602 16.943 1.225 1.00 0.00 O ATOM 1210 CB ALA A 82 1.595 13.865 1.584 1.00 0.00 C ATOM 0 H ALA A 82 0.334 15.399 3.039 1.00 0.00 H new ATOM 0 HA ALA A 82 2.985 14.383 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.337 13.356 0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.082 13.137 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.870 14.363 0.940 1.00 0.00 H new ATOM 1216 N LEU A 83 4.320 15.490 1.308 1.00 0.00 N ATOM 1217 CA LEU A 83 5.249 16.351 0.590 1.00 0.00 C ATOM 1218 C LEU A 83 5.260 16.034 -0.902 1.00 0.00 C ATOM 1219 O LEU A 83 5.382 16.933 -1.734 1.00 0.00 O ATOM 1220 CB LEU A 83 6.661 16.198 1.163 1.00 0.00 C ATOM 1221 CG LEU A 83 6.830 16.633 2.620 1.00 0.00 C ATOM 1222 CD1 LEU A 83 8.235 16.320 3.108 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.538 18.117 2.766 1.00 0.00 C ATOM 0 H LEU A 83 4.703 14.578 1.556 1.00 0.00 H new ATOM 0 HA LEU A 83 4.916 17.381 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.958 15.153 1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.349 16.777 0.547 1.00 0.00 H new ATOM 0 HG LEU A 83 6.119 16.077 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.338 16.636 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.415 15.247 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.961 16.852 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.662 18.412 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.228 18.687 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.514 18.319 2.452 1.00 0.00 H new ATOM 1235 N ASN A 84 5.136 14.761 -1.243 1.00 0.00 N ATOM 1236 CA ASN A 84 5.146 14.352 -2.641 1.00 0.00 C ATOM 1237 C ASN A 84 4.164 13.218 -2.886 1.00 0.00 C ATOM 1238 O ASN A 84 3.375 13.267 -3.823 1.00 0.00 O ATOM 1239 CB ASN A 84 6.545 13.913 -3.073 1.00 0.00 C ATOM 1240 CG ASN A 84 6.614 13.553 -4.549 1.00 0.00 C ATOM 1241 OD1 ASN A 84 5.918 14.310 -5.388 1.00 0.00 O flip ATOM 1242 ND2 ASN A 84 7.310 12.617 -4.936 1.00 0.00 N flip ATOM 0 H ASN A 84 5.028 13.996 -0.577 1.00 0.00 H new ATOM 0 HA ASN A 84 4.845 15.216 -3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.254 14.714 -2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.852 13.053 -2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.831 12.056 -4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.366 12.401 -5.931 1.00 0.00 H new ATOM 1249 N ALA A 85 4.216 12.200 -2.042 1.00 0.00 N ATOM 1250 CA ALA A 85 3.361 11.037 -2.213 1.00 0.00 C ATOM 1251 C ALA A 85 2.722 10.631 -0.892 1.00 0.00 C ATOM 1252 O ALA A 85 3.341 10.728 0.170 1.00 0.00 O ATOM 1253 CB ALA A 85 4.152 9.879 -2.808 1.00 0.00 C ATOM 0 H ALA A 85 4.838 12.155 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 85 2.561 11.301 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.498 9.016 -2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.551 10.172 -3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.974 9.620 -2.141 1.00 0.00 H new ATOM 1259 N VAL A 86 1.479 10.193 -0.970 1.00 0.00 N ATOM 1260 CA VAL A 86 0.726 9.775 0.200 1.00 0.00 C ATOM 1261 C VAL A 86 -0.200 8.617 -0.175 1.00 0.00 C ATOM 1262 O VAL A 86 -0.638 8.519 -1.322 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.078 10.968 0.786 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -0.924 11.637 -0.286 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -0.939 10.539 1.967 1.00 0.00 C ATOM 0 H VAL A 86 0.962 10.117 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 86 1.418 9.434 0.970 1.00 0.00 H new ATOM 0 HB VAL A 86 0.644 11.697 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.476 12.468 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.277 12.009 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.626 10.913 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.486 11.400 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.646 9.775 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.302 10.135 2.754 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.469 7.733 0.780 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.302 6.566 0.525 1.00 0.00 C ATOM 1277 C ARG A 87 -2.761 6.881 0.789 1.00 0.00 C ATOM 1278 O ARG A 87 -3.131 7.261 1.900 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.886 5.386 1.402 1.00 0.00 C ATOM 1280 CG ARG A 87 0.492 4.835 1.099 1.00 0.00 C ATOM 1281 CD ARG A 87 0.809 3.651 1.997 1.00 0.00 C ATOM 1282 NE ARG A 87 2.112 3.057 1.703 1.00 0.00 N ATOM 1283 CZ ARG A 87 2.729 2.196 2.509 1.00 0.00 C ATOM 1284 NH1 ARG A 87 2.161 1.830 3.653 1.00 0.00 N ATOM 1285 NH2 ARG A 87 3.905 1.686 2.174 1.00 0.00 N ATOM 0 H ARG A 87 -0.122 7.803 1.737 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.168 6.297 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.918 5.696 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.617 4.586 1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.545 4.529 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.240 5.615 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.787 3.973 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.034 2.894 1.881 1.00 0.00 H new ATOM 0 HE ARG A 87 2.574 3.317 0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.251 2.209 3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.635 1.170 4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.344 1.953 1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.371 1.027 2.797 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.570 6.751 -0.248 1.00 0.00 N ATOM 1300 CA LEU A 88 -5.006 6.917 -0.137 1.00 0.00 C ATOM 1301 C LEU A 88 -5.696 5.617 -0.533 1.00 0.00 C ATOM 1302 O LEU A 88 -5.757 5.278 -1.717 1.00 0.00 O ATOM 1303 CB LEU A 88 -5.511 8.056 -1.049 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.074 9.488 -0.691 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -5.413 9.819 0.755 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -3.595 9.698 -0.956 1.00 0.00 C ATOM 0 H LEU A 88 -3.249 6.527 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.241 7.173 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.181 7.846 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.601 8.027 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.630 10.169 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.093 10.836 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.489 9.736 0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.900 9.122 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.320 10.719 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.015 8.999 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.387 9.527 -2.012 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.188 4.871 0.440 1.00 0.00 N ATOM 1319 CA LEU A 89 -6.982 3.692 0.138 1.00 0.00 C ATOM 1320 C LEU A 89 -8.441 4.090 -0.010 1.00 0.00 C ATOM 1321 O LEU A 89 -9.000 4.755 0.860 1.00 0.00 O ATOM 1322 CB LEU A 89 -6.841 2.620 1.223 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.568 1.304 0.927 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -7.000 0.643 -0.317 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -7.474 0.363 2.114 1.00 0.00 C ATOM 0 H LEU A 89 -6.055 5.056 1.434 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.615 3.266 -0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.782 2.408 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.218 3.023 2.163 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.619 1.531 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.531 -0.290 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.120 1.310 -1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.941 0.433 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.996 -0.566 1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.427 0.148 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.932 0.830 2.986 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.054 3.682 -1.108 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.411 4.108 -1.422 1.00 0.00 C ATOM 1339 C VAL A 90 -11.305 2.919 -1.749 1.00 0.00 C ATOM 1340 O VAL A 90 -10.825 1.873 -2.194 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.431 5.115 -2.595 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -9.864 6.456 -2.157 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.655 4.577 -3.792 1.00 0.00 C ATOM 0 H VAL A 90 -8.636 3.057 -1.797 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.800 4.603 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.468 5.257 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.886 7.152 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.464 6.855 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.835 6.324 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.685 5.305 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.619 4.398 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.105 3.642 -4.127 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.595 3.078 -1.496 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.570 2.035 -1.775 1.00 0.00 C ATOM 1355 C VAL A 91 -14.927 2.646 -2.125 1.00 0.00 C ATOM 1356 O VAL A 91 -15.354 3.623 -1.503 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.712 1.067 -0.571 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.017 1.823 0.712 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.781 0.014 -0.830 1.00 0.00 C ATOM 0 H VAL A 91 -12.993 3.927 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.212 1.464 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.755 0.560 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.111 1.117 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.208 2.523 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.951 2.373 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.856 -0.648 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.741 0.503 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.513 -0.568 -1.712 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.581 2.085 -3.141 1.00 0.00 N ATOM 1370 CA ASP A 92 -16.938 2.488 -3.506 1.00 0.00 C ATOM 1371 C ASP A 92 -17.882 2.221 -2.350 1.00 0.00 C ATOM 1372 O ASP A 92 -17.889 1.126 -1.801 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.450 1.689 -4.710 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.571 1.780 -5.931 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -15.578 1.032 -6.002 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.889 2.578 -6.838 1.00 0.00 O ATOM 0 H ASP A 92 -15.191 1.347 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.907 3.549 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.546 0.642 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.449 2.042 -4.968 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.700 3.209 -1.969 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.729 3.033 -0.936 1.00 0.00 C ATOM 1383 C PRO A 93 -20.693 1.901 -1.279 1.00 0.00 C ATOM 1384 O PRO A 93 -21.258 1.260 -0.396 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.461 4.376 -0.918 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.487 5.349 -1.487 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.674 4.584 -2.492 1.00 0.00 C ATOM 0 HA PRO A 93 -19.298 2.764 0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.374 4.337 -1.512 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.752 4.654 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.002 6.186 -1.958 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.850 5.765 -0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.108 4.643 -3.490 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.657 4.968 -2.563 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.871 1.660 -2.573 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.723 0.577 -3.042 1.00 0.00 C ATOM 1397 C GLU A 94 -21.049 -0.769 -2.798 1.00 0.00 C ATOM 1398 O GLU A 94 -21.643 -1.690 -2.236 1.00 0.00 O ATOM 1399 CB GLU A 94 -21.985 0.746 -4.537 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.527 2.114 -4.913 1.00 0.00 C ATOM 1401 CD GLU A 94 -22.467 2.360 -6.403 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -23.421 1.987 -7.113 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -21.456 2.925 -6.874 1.00 0.00 O ATOM 0 H GLU A 94 -20.434 2.203 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.665 0.608 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.057 0.571 -5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -22.693 -0.017 -4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.559 2.200 -4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.955 2.885 -4.396 1.00 0.00 H new ATOM 1410 N THR A 95 -19.791 -0.863 -3.209 1.00 0.00 N ATOM 1411 CA THR A 95 -19.019 -2.083 -3.064 1.00 0.00 C ATOM 1412 C THR A 95 -18.637 -2.316 -1.604 1.00 0.00 C ATOM 1413 O THR A 95 -18.396 -3.444 -1.193 1.00 0.00 O ATOM 1414 CB THR A 95 -17.757 -2.059 -3.941 1.00 0.00 C ATOM 1415 OG1 THR A 95 -18.039 -1.388 -5.176 1.00 0.00 O ATOM 1416 CG2 THR A 95 -17.292 -3.476 -4.237 1.00 0.00 C ATOM 0 H THR A 95 -19.282 -0.097 -3.650 1.00 0.00 H new ATOM 0 HA THR A 95 -19.650 -2.907 -3.398 1.00 0.00 H new ATOM 0 HB THR A 95 -16.970 -1.529 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.232 -1.373 -5.732 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.397 -3.443 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.065 -3.987 -3.302 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.080 -4.015 -4.763 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.565 -1.237 -0.832 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.245 -1.318 0.593 1.00 0.00 C ATOM 1426 C ASP A 96 -19.251 -2.208 1.320 1.00 0.00 C ATOM 1427 O ASP A 96 -18.901 -2.930 2.256 1.00 0.00 O ATOM 1428 CB ASP A 96 -18.236 0.087 1.205 1.00 0.00 C ATOM 1429 CG ASP A 96 -18.019 0.080 2.703 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -16.858 -0.047 3.144 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -19.008 0.211 3.447 1.00 0.00 O ATOM 0 H ASP A 96 -18.725 -0.288 -1.170 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.255 -1.760 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.451 0.678 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -19.183 0.580 0.983 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.491 -2.177 0.851 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.531 -3.055 1.364 1.00 0.00 C ATOM 1438 C GLU A 97 -21.174 -4.501 1.036 1.00 0.00 C ATOM 1439 O GLU A 97 -21.270 -5.393 1.880 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.877 -2.696 0.730 1.00 0.00 C ATOM 1441 CG GLU A 97 -24.049 -3.473 1.301 1.00 0.00 C ATOM 1442 CD GLU A 97 -25.292 -3.348 0.449 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.712 -2.209 0.160 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -25.841 -4.395 0.042 1.00 0.00 O ATOM 0 H GLU A 97 -20.802 -1.548 0.111 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.608 -2.934 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -23.059 -1.630 0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -22.822 -2.876 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.776 -4.525 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -24.264 -3.114 2.308 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.742 -4.711 -0.202 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.284 -6.015 -0.667 1.00 0.00 C ATOM 1453 C GLN A 98 -19.084 -6.479 0.157 1.00 0.00 C ATOM 1454 O GLN A 98 -18.951 -7.660 0.470 1.00 0.00 O ATOM 1455 CB GLN A 98 -19.920 -5.937 -2.154 1.00 0.00 C ATOM 1456 CG GLN A 98 -19.449 -7.249 -2.762 1.00 0.00 C ATOM 1457 CD GLN A 98 -20.502 -8.336 -2.721 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -21.331 -8.450 -3.622 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -20.463 -9.154 -1.686 1.00 0.00 N ATOM 0 H GLN A 98 -20.699 -3.981 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.087 -6.741 -0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -20.790 -5.586 -2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -19.137 -5.190 -2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -19.153 -7.077 -3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -18.562 -7.591 -2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -19.759 -9.024 -0.960 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -21.137 -9.916 -1.612 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.210 -5.540 0.500 1.00 0.00 N ATOM 1469 CA LEU A 99 -17.038 -5.840 1.314 1.00 0.00 C ATOM 1470 C LEU A 99 -17.456 -6.290 2.710 1.00 0.00 C ATOM 1471 O LEU A 99 -16.819 -7.157 3.313 1.00 0.00 O ATOM 1472 CB LEU A 99 -16.114 -4.631 1.402 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.601 -4.110 0.058 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.295 -3.382 0.257 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.429 -5.238 -0.952 1.00 0.00 C ATOM 0 H LEU A 99 -18.291 -4.561 0.226 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.493 -6.653 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.643 -3.824 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.258 -4.891 2.024 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.343 -3.420 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.934 -3.013 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.446 -2.542 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.559 -4.064 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.063 -4.830 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.712 -5.964 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.388 -5.728 -1.117 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.531 -5.699 3.222 1.00 0.00 N ATOM 1488 CA GLN A 100 -19.111 -6.127 4.489 1.00 0.00 C ATOM 1489 C GLN A 100 -19.684 -7.536 4.361 1.00 0.00 C ATOM 1490 O GLN A 100 -19.642 -8.323 5.307 1.00 0.00 O ATOM 1491 CB GLN A 100 -20.196 -5.154 4.953 1.00 0.00 C ATOM 1492 CG GLN A 100 -19.655 -3.807 5.411 1.00 0.00 C ATOM 1493 CD GLN A 100 -20.741 -2.868 5.904 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -21.814 -3.426 6.442 1.00 0.00 O flip ATOM 1495 NE2 GLN A 100 -20.614 -1.648 5.805 1.00 0.00 N flip ATOM 0 H GLN A 100 -19.018 -4.921 2.778 1.00 0.00 H new ATOM 0 HA GLN A 100 -18.319 -6.135 5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.901 -4.994 4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -20.754 -5.609 5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.930 -3.965 6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -19.122 -3.336 4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.772 -1.255 5.384 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.351 -1.029 6.144 1.00 0.00 H new ATOM 1504 N LYS A 101 -20.228 -7.841 3.186 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.731 -9.179 2.899 1.00 0.00 C ATOM 1506 C LYS A 101 -19.587 -10.184 2.932 1.00 0.00 C ATOM 1507 O LYS A 101 -19.758 -11.318 3.379 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.416 -9.228 1.531 1.00 0.00 C ATOM 1509 CG LYS A 101 -22.651 -8.351 1.420 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.763 -8.834 2.334 1.00 0.00 C ATOM 1511 CE LYS A 101 -25.035 -8.025 2.135 1.00 0.00 C ATOM 1512 NZ LYS A 101 -25.545 -8.123 0.741 1.00 0.00 N ATOM 0 H LYS A 101 -20.331 -7.178 2.417 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.465 -9.435 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.699 -8.925 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -21.696 -10.259 1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -22.392 -7.323 1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -23.003 -8.346 0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -23.965 -9.887 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -23.441 -8.759 3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -25.800 -8.377 2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -24.842 -6.980 2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -26.537 -7.811 0.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.973 -7.517 0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -25.482 -9.109 0.417 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.420 -9.759 2.450 1.00 0.00 N ATOM 1527 CA LEU A 102 -17.229 -10.595 2.492 1.00 0.00 C ATOM 1528 C LEU A 102 -16.846 -10.861 3.941 1.00 0.00 C ATOM 1529 O LEU A 102 -16.574 -11.996 4.328 1.00 0.00 O ATOM 1530 CB LEU A 102 -16.055 -9.924 1.767 1.00 0.00 C ATOM 1531 CG LEU A 102 -16.359 -9.382 0.366 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -15.097 -8.837 -0.277 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -16.977 -10.452 -0.514 1.00 0.00 C ATOM 0 H LEU A 102 -18.277 -8.842 2.027 1.00 0.00 H new ATOM 0 HA LEU A 102 -17.452 -11.534 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -15.694 -9.101 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -15.241 -10.645 1.689 1.00 0.00 H new ATOM 0 HG LEU A 102 -17.080 -8.571 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -15.331 -8.456 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -14.696 -8.030 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -14.357 -9.633 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -17.181 -10.038 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -16.286 -11.290 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -17.908 -10.798 -0.066 1.00 0.00 H new ATOM 1545 N GLY A 103 -16.827 -9.792 4.729 1.00 0.00 N ATOM 1546 CA GLY A 103 -16.602 -9.910 6.160 1.00 0.00 C ATOM 1547 C GLY A 103 -15.138 -10.020 6.526 1.00 0.00 C ATOM 1548 O GLY A 103 -14.765 -9.827 7.682 1.00 0.00 O ATOM 0 H GLY A 103 -16.965 -8.837 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.031 -9.043 6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.130 -10.787 6.533 1.00 0.00 H new ATOM 1552 N VAL A 104 -14.308 -10.327 5.543 1.00 0.00 N ATOM 1553 CA VAL A 104 -12.890 -10.538 5.777 1.00 0.00 C ATOM 1554 C VAL A 104 -12.104 -9.251 5.600 1.00 0.00 C ATOM 1555 O VAL A 104 -12.668 -8.175 5.387 1.00 0.00 O ATOM 1556 CB VAL A 104 -12.315 -11.612 4.833 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -13.086 -12.910 4.971 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -12.314 -11.124 3.392 1.00 0.00 C ATOM 0 H VAL A 104 -14.594 -10.436 4.570 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.791 -10.881 6.807 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.280 -11.802 5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.666 -13.656 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.015 -13.268 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.132 -12.740 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.904 -11.900 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.335 -10.897 3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.703 -10.225 3.313 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.793 -9.391 5.656 1.00 0.00 N ATOM 1569 CA GLN A 105 -9.874 -8.273 5.626 1.00 0.00 C ATOM 1570 C GLN A 105 -9.414 -8.002 4.197 1.00 0.00 C ATOM 1571 O GLN A 105 -8.230 -7.803 3.947 1.00 0.00 O ATOM 1572 CB GLN A 105 -8.681 -8.617 6.510 1.00 0.00 C ATOM 1573 CG GLN A 105 -9.062 -8.853 7.963 1.00 0.00 C ATOM 1574 CD GLN A 105 -8.022 -9.644 8.734 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -7.322 -10.540 8.051 1.00 0.00 O flip ATOM 1576 NE2 GLN A 105 -7.861 -9.467 9.943 1.00 0.00 N flip ATOM 0 H GLN A 105 -10.332 -10.298 5.725 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.367 -7.373 5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.193 -9.510 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.953 -7.807 6.459 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.214 -7.891 8.453 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.014 -9.383 8.001 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.418 -8.768 10.435 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -7.171 -10.019 10.452 1.00 0.00 H new ATOM 1585 N VAL A 106 -10.365 -7.981 3.271 1.00 0.00 N ATOM 1586 CA VAL A 106 -10.060 -7.838 1.849 1.00 0.00 C ATOM 1587 C VAL A 106 -9.301 -6.539 1.561 1.00 0.00 C ATOM 1588 O VAL A 106 -8.422 -6.501 0.699 1.00 0.00 O ATOM 1589 CB VAL A 106 -11.353 -7.894 0.990 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -12.347 -6.827 1.425 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -11.029 -7.761 -0.494 1.00 0.00 C ATOM 0 H VAL A 106 -11.360 -8.062 3.479 1.00 0.00 H new ATOM 0 HA VAL A 106 -9.419 -8.677 1.576 1.00 0.00 H new ATOM 0 HB VAL A 106 -11.816 -8.868 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -13.242 -6.890 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -12.616 -6.984 2.470 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.896 -5.841 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.952 -7.803 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.531 -6.808 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -10.372 -8.576 -0.798 1.00 0.00 H new ATOM 1601 N ARG A 107 -9.611 -5.500 2.324 1.00 0.00 N ATOM 1602 CA ARG A 107 -9.062 -4.169 2.083 1.00 0.00 C ATOM 1603 C ARG A 107 -7.617 -4.066 2.562 1.00 0.00 C ATOM 1604 O ARG A 107 -6.864 -3.213 2.097 1.00 0.00 O ATOM 1605 CB ARG A 107 -9.935 -3.122 2.781 1.00 0.00 C ATOM 1606 CG ARG A 107 -11.341 -3.046 2.210 1.00 0.00 C ATOM 1607 CD ARG A 107 -12.388 -2.780 3.283 1.00 0.00 C ATOM 1608 NE ARG A 107 -12.189 -1.508 3.973 1.00 0.00 N ATOM 1609 CZ ARG A 107 -13.138 -0.579 4.099 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -14.327 -0.767 3.534 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -12.896 0.524 4.792 1.00 0.00 N ATOM 0 H ARG A 107 -10.245 -5.553 3.122 1.00 0.00 H new ATOM 0 HA ARG A 107 -9.063 -3.984 1.009 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -9.993 -3.355 3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -9.460 -2.145 2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.384 -2.256 1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -11.575 -3.981 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.378 -2.788 2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -12.366 -3.590 4.012 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.273 -1.320 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -14.512 -1.620 3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -15.054 -0.058 3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.985 0.662 5.229 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -13.621 1.235 4.889 1.00 0.00 H new ATOM 1625 N GLU A 108 -7.229 -4.946 3.473 1.00 0.00 N ATOM 1626 CA GLU A 108 -5.892 -4.903 4.043 1.00 0.00 C ATOM 1627 C GLU A 108 -5.052 -6.091 3.573 1.00 0.00 C ATOM 1628 O GLU A 108 -3.868 -5.948 3.263 1.00 0.00 O ATOM 1629 CB GLU A 108 -5.958 -4.887 5.575 1.00 0.00 C ATOM 1630 CG GLU A 108 -6.643 -3.659 6.170 1.00 0.00 C ATOM 1631 CD GLU A 108 -8.155 -3.661 6.003 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -8.779 -4.739 6.133 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -8.726 -2.581 5.746 1.00 0.00 O ATOM 0 H GLU A 108 -7.819 -5.696 3.832 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.416 -3.985 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.485 -5.780 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.944 -4.948 5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -6.404 -3.599 7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.236 -2.764 5.701 1.00 0.00 H new ATOM 1640 N GLU A 109 -5.678 -7.259 3.507 1.00 0.00 N ATOM 1641 CA GLU A 109 -4.982 -8.492 3.154 1.00 0.00 C ATOM 1642 C GLU A 109 -4.504 -8.462 1.706 1.00 0.00 C ATOM 1643 O GLU A 109 -3.325 -8.676 1.431 1.00 0.00 O ATOM 1644 CB GLU A 109 -5.914 -9.691 3.367 1.00 0.00 C ATOM 1645 CG GLU A 109 -5.254 -11.039 3.130 1.00 0.00 C ATOM 1646 CD GLU A 109 -4.203 -11.356 4.171 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -3.038 -10.956 3.988 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -4.540 -12.008 5.181 1.00 0.00 O ATOM 0 H GLU A 109 -6.673 -7.380 3.695 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.108 -8.586 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.300 -9.661 4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.770 -9.595 2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -6.015 -11.819 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.796 -11.048 2.141 1.00 0.00 H new ATOM 1655 N LEU A 110 -5.410 -8.144 0.788 1.00 0.00 N ATOM 1656 CA LEU A 110 -5.087 -8.154 -0.636 1.00 0.00 C ATOM 1657 C LEU A 110 -4.248 -6.945 -1.002 1.00 0.00 C ATOM 1658 O LEU A 110 -3.560 -6.929 -2.023 1.00 0.00 O ATOM 1659 CB LEU A 110 -6.355 -8.204 -1.481 1.00 0.00 C ATOM 1660 CG LEU A 110 -7.191 -9.467 -1.292 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -8.387 -9.451 -2.222 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -6.344 -10.708 -1.530 1.00 0.00 C ATOM 0 H LEU A 110 -6.371 -7.877 1.002 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.505 -9.052 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.970 -7.337 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.080 -8.119 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.553 -9.493 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.974 -10.358 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.005 -8.580 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.044 -9.404 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.957 -11.599 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -5.953 -10.692 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.515 -10.724 -0.823 1.00 0.00 H new ATOM 1674 N LEU A 111 -4.304 -5.934 -0.149 1.00 0.00 N ATOM 1675 CA LEU A 111 -3.499 -4.741 -0.322 1.00 0.00 C ATOM 1676 C LEU A 111 -2.019 -5.096 -0.192 1.00 0.00 C ATOM 1677 O LEU A 111 -1.146 -4.378 -0.679 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.889 -3.704 0.733 1.00 0.00 C ATOM 1679 CG LEU A 111 -3.419 -2.277 0.457 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.119 -1.720 -0.773 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -3.672 -1.391 1.670 1.00 0.00 C ATOM 0 H LEU A 111 -4.904 -5.919 0.675 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.675 -4.322 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.975 -3.698 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.487 -4.021 1.695 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.346 -2.293 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.775 -0.703 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.888 -2.344 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.196 -1.714 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.332 -0.377 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.739 -1.376 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.127 -1.784 2.528 1.00 0.00 H new ATOM 1693 N ARG A 112 -1.755 -6.231 0.449 1.00 0.00 N ATOM 1694 CA ARG A 112 -0.395 -6.681 0.702 1.00 0.00 C ATOM 1695 C ARG A 112 -0.230 -8.155 0.357 1.00 0.00 C ATOM 1696 O ARG A 112 0.484 -8.886 1.047 1.00 0.00 O ATOM 1697 CB ARG A 112 -0.041 -6.446 2.170 1.00 0.00 C ATOM 1698 CG ARG A 112 0.024 -4.975 2.538 1.00 0.00 C ATOM 1699 CD ARG A 112 1.253 -4.313 1.939 1.00 0.00 C ATOM 1700 NE ARG A 112 2.456 -4.615 2.711 1.00 0.00 N ATOM 1701 CZ ARG A 112 3.498 -5.307 2.253 1.00 0.00 C ATOM 1702 NH1 ARG A 112 3.484 -5.817 1.028 1.00 0.00 N ATOM 1703 NH2 ARG A 112 4.555 -5.495 3.028 1.00 0.00 N ATOM 0 H ARG A 112 -2.475 -6.860 0.805 1.00 0.00 H new ATOM 0 HA ARG A 112 0.280 -6.108 0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.781 -6.940 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.921 -6.911 2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.874 -4.469 2.184 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.043 -4.869 3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.385 -4.651 0.911 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.105 -3.234 1.903 1.00 0.00 H new ATOM 0 HE ARG A 112 2.501 -4.271 3.670 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.670 -5.681 0.428 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.287 -6.345 0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.570 -5.110 3.973 1.00 0.00 H new ATOM 0 HH22 ARG A 112 5.355 -6.024 2.680 1.00 0.00 H new ATOM 1717 N ALA A 113 -0.894 -8.587 -0.708 1.00 0.00 N ATOM 1718 CA ALA A 113 -0.811 -9.976 -1.143 1.00 0.00 C ATOM 1719 C ALA A 113 -1.209 -10.132 -2.608 1.00 0.00 C ATOM 1720 O ALA A 113 -2.371 -9.942 -2.975 1.00 0.00 O ATOM 1721 CB ALA A 113 -1.685 -10.852 -0.257 1.00 0.00 C ATOM 0 H ALA A 113 -1.494 -7.998 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 113 0.227 -10.296 -1.051 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.617 -11.888 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.345 -10.779 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -2.720 -10.517 -0.322 1.00 0.00 H new ATOM 1727 N GLN A 114 -0.236 -10.470 -3.445 1.00 0.00 N ATOM 1728 CA GLN A 114 -0.486 -10.718 -4.859 1.00 0.00 C ATOM 1729 C GLN A 114 -0.449 -12.218 -5.141 1.00 0.00 C ATOM 1730 O GLN A 114 -0.171 -13.015 -4.244 1.00 0.00 O ATOM 1731 CB GLN A 114 0.544 -9.988 -5.728 1.00 0.00 C ATOM 1732 CG GLN A 114 1.971 -10.477 -5.539 1.00 0.00 C ATOM 1733 CD GLN A 114 2.960 -9.730 -6.410 1.00 0.00 C ATOM 1734 OE1 GLN A 114 2.623 -9.268 -7.502 1.00 0.00 O ATOM 1735 NE2 GLN A 114 4.189 -9.605 -5.938 1.00 0.00 N ATOM 0 H GLN A 114 0.739 -10.579 -3.167 1.00 0.00 H new ATOM 0 HA GLN A 114 -1.476 -10.335 -5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 114 0.267 -10.104 -6.776 1.00 0.00 H new ATOM 0 HB3 GLN A 114 0.503 -8.922 -5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.255 -10.364 -4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 114 2.021 -11.541 -5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 114 4.429 -10.001 -5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 114 4.897 -9.112 -6.483 1.00 0.00 H new ATOM 1744 N GLU A 115 -0.722 -12.596 -6.380 1.00 0.00 N ATOM 1745 CA GLU A 115 -0.799 -13.999 -6.754 1.00 0.00 C ATOM 1746 C GLU A 115 -0.033 -14.259 -8.050 1.00 0.00 C ATOM 1747 O GLU A 115 0.466 -13.331 -8.688 1.00 0.00 O ATOM 1748 CB GLU A 115 -2.265 -14.424 -6.931 1.00 0.00 C ATOM 1749 CG GLU A 115 -2.934 -13.877 -8.190 1.00 0.00 C ATOM 1750 CD GLU A 115 -3.176 -12.378 -8.153 1.00 0.00 C ATOM 1751 OE1 GLU A 115 -2.238 -11.606 -8.455 1.00 0.00 O ATOM 1752 OE2 GLU A 115 -4.313 -11.966 -7.840 1.00 0.00 O ATOM 0 H GLU A 115 -0.895 -11.947 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 115 -0.347 -14.586 -5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.315 -15.513 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.833 -14.096 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -2.312 -14.114 -9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -3.887 -14.386 -8.334 1.00 0.00 H new ATOM 1759 N ALA A 116 0.062 -15.528 -8.422 1.00 0.00 N ATOM 1760 CA ALA A 116 0.637 -15.913 -9.702 1.00 0.00 C ATOM 1761 C ALA A 116 -0.465 -16.440 -10.616 1.00 0.00 C ATOM 1762 O ALA A 116 -0.814 -17.623 -10.566 1.00 0.00 O ATOM 1763 CB ALA A 116 1.724 -16.960 -9.505 1.00 0.00 C ATOM 0 H ALA A 116 -0.254 -16.312 -7.851 1.00 0.00 H new ATOM 0 HA ALA A 116 1.095 -15.040 -10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 116 2.143 -17.236 -10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 116 2.512 -16.552 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 116 1.297 -17.843 -9.029 1.00 0.00 H new ATOM 1769 N PRO A 117 -1.025 -15.568 -11.468 1.00 0.00 N ATOM 1770 CA PRO A 117 -2.193 -15.894 -12.294 1.00 0.00 C ATOM 1771 C PRO A 117 -1.853 -16.728 -13.527 1.00 0.00 C ATOM 1772 O PRO A 117 -2.670 -16.872 -14.438 1.00 0.00 O ATOM 1773 CB PRO A 117 -2.711 -14.520 -12.707 1.00 0.00 C ATOM 1774 CG PRO A 117 -1.489 -13.667 -12.766 1.00 0.00 C ATOM 1775 CD PRO A 117 -0.559 -14.185 -11.700 1.00 0.00 C ATOM 0 HA PRO A 117 -2.912 -16.505 -11.748 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -3.216 -14.559 -13.672 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -3.431 -14.133 -11.986 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -1.023 -13.724 -13.750 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -1.737 -12.620 -12.590 1.00 0.00 H new ATOM 0 HD2 PRO A 117 0.480 -14.163 -12.030 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -0.618 -13.585 -10.792 1.00 0.00 H new ATOM 1783 N GLY A 118 -0.656 -17.289 -13.545 1.00 0.00 N ATOM 1784 CA GLY A 118 -0.237 -18.119 -14.659 1.00 0.00 C ATOM 1785 C GLY A 118 -0.699 -19.554 -14.509 1.00 0.00 C ATOM 1786 O GLY A 118 0.086 -20.489 -14.681 1.00 0.00 O ATOM 0 H GLY A 118 0.039 -17.185 -12.805 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -0.634 -17.706 -15.587 1.00 0.00 H new ATOM 0 HA3 GLY A 118 0.850 -18.095 -14.739 1.00 0.00 H new ATOM 1790 N GLN A 119 -1.974 -19.732 -14.191 1.00 0.00 N ATOM 1791 CA GLN A 119 -2.535 -21.060 -14.002 1.00 0.00 C ATOM 1792 C GLN A 119 -3.103 -21.587 -15.313 1.00 0.00 C ATOM 1793 O GLN A 119 -4.221 -21.238 -15.698 1.00 0.00 O ATOM 1794 CB GLN A 119 -3.637 -21.038 -12.938 1.00 0.00 C ATOM 1795 CG GLN A 119 -3.215 -20.414 -11.617 1.00 0.00 C ATOM 1796 CD GLN A 119 -4.247 -20.620 -10.522 1.00 0.00 C ATOM 1797 OE1 GLN A 119 -4.939 -21.637 -10.495 1.00 0.00 O ATOM 1798 NE2 GLN A 119 -4.363 -19.658 -9.621 1.00 0.00 N ATOM 0 H GLN A 119 -2.640 -18.971 -14.059 1.00 0.00 H new ATOM 0 HA GLN A 119 -1.734 -21.719 -13.666 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -4.493 -20.489 -13.329 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -3.970 -22.060 -12.755 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.265 -20.845 -11.302 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -3.049 -19.346 -11.760 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -3.770 -18.830 -9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.046 -19.744 -8.868 1.00 0.00 H new ATOM 1807 N ALA A 120 -2.321 -22.404 -16.001 1.00 0.00 N ATOM 1808 CA ALA A 120 -2.754 -23.012 -17.249 1.00 0.00 C ATOM 1809 C ALA A 120 -2.216 -24.431 -17.346 1.00 0.00 C ATOM 1810 O ALA A 120 -2.921 -25.365 -16.913 1.00 0.00 O ATOM 1811 CB ALA A 120 -2.304 -22.174 -18.440 1.00 0.00 C ATOM 1812 OXT ALA A 120 -1.071 -24.606 -17.810 1.00 0.00 O ATOM 0 H ALA A 120 -1.377 -22.662 -15.714 1.00 0.00 H new ATOM 0 HA ALA A 120 -3.843 -23.052 -17.264 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.638 -22.646 -19.364 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.735 -21.176 -18.366 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.217 -22.100 -18.443 1.00 0.00 H new TER 1818 ALA A 120 ATOM 1819 N GLN B 1 -18.978 22.055 4.098 1.00 0.00 N ATOM 1820 CA GLN B 1 -17.606 22.574 3.891 1.00 0.00 C ATOM 1821 C GLN B 1 -16.851 21.719 2.883 1.00 0.00 C ATOM 1822 O GLN B 1 -16.195 20.742 3.252 1.00 0.00 O ATOM 1823 CB GLN B 1 -16.834 22.618 5.212 1.00 0.00 C ATOM 1824 CG GLN B 1 -17.368 23.640 6.200 1.00 0.00 C ATOM 1825 CD GLN B 1 -16.500 23.773 7.439 1.00 0.00 C ATOM 1826 OE1 GLN B 1 -15.852 22.692 7.840 1.00 0.00 O flip ATOM 1827 NE2 GLN B 1 -16.415 24.847 8.036 1.00 0.00 N flip ATOM 0 H1 GLN B 1 -19.480 22.663 4.776 1.00 0.00 H new ATOM 0 H2 GLN B 1 -19.488 22.052 3.192 1.00 0.00 H new ATOM 0 H3 GLN B 1 -18.930 21.086 4.472 1.00 0.00 H new ATOM 0 HA GLN B 1 -17.691 23.588 3.500 1.00 0.00 H new ATOM 0 HB2 GLN B 1 -16.864 21.631 5.673 1.00 0.00 H new ATOM 0 HB3 GLN B 1 -15.788 22.840 5.003 1.00 0.00 H new ATOM 0 HG2 GLN B 1 -17.441 24.610 5.708 1.00 0.00 H new ATOM 0 HG3 GLN B 1 -18.377 23.357 6.498 1.00 0.00 H new ATOM 0 HE21 GLN B 1 -16.929 25.660 7.698 1.00 0.00 H new ATOM 0 HE22 GLN B 1 -15.830 24.923 8.868 1.00 0.00 H new ATOM 1838 N ASP B 2 -16.955 22.082 1.611 1.00 0.00 N ATOM 1839 CA ASP B 2 -16.217 21.397 0.555 1.00 0.00 C ATOM 1840 C ASP B 2 -14.748 21.777 0.616 1.00 0.00 C ATOM 1841 O ASP B 2 -14.409 22.948 0.808 1.00 0.00 O ATOM 1842 CB ASP B 2 -16.779 21.758 -0.820 1.00 0.00 C ATOM 1843 CG ASP B 2 -16.062 21.035 -1.947 1.00 0.00 C ATOM 1844 OD1 ASP B 2 -15.063 21.573 -2.474 1.00 0.00 O ATOM 1845 OD2 ASP B 2 -16.508 19.934 -2.324 1.00 0.00 O ATOM 0 H ASP B 2 -17.544 22.848 1.284 1.00 0.00 H new ATOM 0 HA ASP B 2 -16.323 20.323 0.707 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -17.840 21.512 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -16.697 22.834 -0.972 1.00 0.00 H new ATOM 1850 N THR B 3 -13.876 20.798 0.462 1.00 0.00 N ATOM 1851 CA THR B 3 -12.449 21.049 0.531 1.00 0.00 C ATOM 1852 C THR B 3 -11.716 20.386 -0.630 1.00 0.00 C ATOM 1853 O THR B 3 -11.723 19.160 -0.763 1.00 0.00 O ATOM 1854 CB THR B 3 -11.870 20.541 1.866 1.00 0.00 C ATOM 1855 OG1 THR B 3 -12.704 20.969 2.955 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.456 21.063 2.073 1.00 0.00 C ATOM 0 H THR B 3 -14.130 19.825 0.289 1.00 0.00 H new ATOM 0 HA THR B 3 -12.303 22.127 0.465 1.00 0.00 H new ATOM 0 HB THR B 3 -11.840 19.452 1.835 1.00 0.00 H new ATOM 0 HG1 THR B 3 -13.145 20.191 3.355 1.00 0.00 H new ATOM 0 HG21 THR B 3 -10.066 20.692 3.021 1.00 0.00 H new ATOM 0 HG22 THR B 3 -9.818 20.718 1.259 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.469 22.153 2.087 1.00 0.00 H new ATOM 1864 N ARG B 4 -11.103 21.198 -1.483 1.00 0.00 N ATOM 1865 CA ARG B 4 -10.280 20.678 -2.560 1.00 0.00 C ATOM 1866 C ARG B 4 -8.889 20.379 -2.031 1.00 0.00 C ATOM 1867 O ARG B 4 -8.252 21.237 -1.426 1.00 0.00 O ATOM 1868 CB ARG B 4 -10.179 21.674 -3.722 1.00 0.00 C ATOM 1869 CG ARG B 4 -9.386 21.138 -4.909 1.00 0.00 C ATOM 1870 CD ARG B 4 -9.091 22.224 -5.929 1.00 0.00 C ATOM 1871 NE ARG B 4 -8.190 23.241 -5.392 1.00 0.00 N ATOM 1872 CZ ARG B 4 -7.889 24.381 -6.012 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -8.346 24.628 -7.237 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -7.094 25.259 -5.417 1.00 0.00 N ATOM 0 H ARG B 4 -11.162 22.216 -1.447 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.747 19.767 -2.934 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -11.183 21.937 -4.054 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -9.710 22.591 -3.365 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -8.449 20.708 -4.555 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -9.946 20.334 -5.386 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -8.646 21.777 -6.818 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -10.024 22.693 -6.241 1.00 0.00 H new ATOM 0 HE ARG B 4 -7.763 23.067 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -8.933 23.941 -7.710 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -8.109 25.504 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -6.717 25.060 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -6.859 26.134 -5.886 1.00 0.00 H new ATOM 1888 N LEU B 5 -8.435 19.162 -2.237 1.00 0.00 N ATOM 1889 CA LEU B 5 -7.100 18.775 -1.835 1.00 0.00 C ATOM 1890 C LEU B 5 -6.097 19.286 -2.850 1.00 0.00 C ATOM 1891 O LEU B 5 -5.369 20.247 -2.531 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.990 17.253 -1.694 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.536 16.667 -0.387 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.831 17.288 0.804 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -9.045 16.857 -0.280 1.00 0.00 C ATOM 1896 OXT LEU B 5 -6.065 18.746 -3.973 1.00 0.00 O ATOM 0 H LEU B 5 -8.974 18.420 -2.683 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.885 19.217 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.518 16.790 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.941 16.973 -1.786 1.00 0.00 H new ATOM 0 HG LEU B 5 -7.339 15.595 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -7.229 16.862 1.725 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.762 17.083 0.742 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.994 18.366 0.802 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -9.400 16.430 0.658 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -9.281 17.921 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.535 16.356 -1.115 1.00 0.00 H new TER 1908 LEU B 5