USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 HIS : no HD1:sc= -0.0407 K(o=-0.038,f=-1.3) USER MOD Set 1.2: A 10 HIS : no HD1:sc= 0.00232 X(o=-0.038,f=-0.042) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 1.06 K(o=1.1,f=-3.3!) USER MOD Single : A 6 HIS : no HD1:sc= -0.287 K(o=-0.29,f=-0.95) USER MOD Single : A 8 HIS : no HD1:sc= -0.364 K(o=-0.36,f=-4.7!) USER MOD Single : A 9 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-0.83) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.236 K(o=-0.24,f=-1.3) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -108:sc= 0.179 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 163:sc= -0.402 (180deg=-1.55) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.374 35.977 -6.876 1.00 0.00 N ATOM 2 CA MET A 1 8.060 35.023 -7.805 1.00 0.00 C ATOM 3 C MET A 1 7.066 34.312 -8.743 1.00 0.00 C ATOM 4 O MET A 1 7.054 34.618 -9.936 1.00 0.00 O ATOM 5 CB MET A 1 8.999 34.044 -7.056 1.00 0.00 C ATOM 6 CG MET A 1 9.913 33.253 -8.006 1.00 0.00 C ATOM 7 SD MET A 1 11.086 32.158 -7.157 1.00 0.00 S ATOM 8 CE MET A 1 11.998 31.521 -8.593 1.00 0.00 C ATOM 0 H1 MET A 1 8.080 36.433 -6.263 1.00 0.00 H new ATOM 0 H2 MET A 1 6.876 36.703 -7.430 1.00 0.00 H new ATOM 0 H3 MET A 1 6.690 35.459 -6.289 1.00 0.00 H new ATOM 0 HA MET A 1 8.708 35.618 -8.449 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.613 34.604 -6.351 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.399 33.347 -6.472 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.294 32.656 -8.676 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.470 33.955 -8.626 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.767 30.826 -8.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.309 31.005 -9.262 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.466 32.350 -9.124 1.00 0.00 H new ATOM 20 N ARG A 2 6.213 33.405 -8.222 1.00 0.00 N ATOM 21 CA ARG A 2 5.238 32.579 -8.990 1.00 0.00 C ATOM 22 C ARG A 2 5.903 31.681 -10.063 1.00 0.00 C ATOM 23 O ARG A 2 7.129 31.556 -10.110 1.00 0.00 O ATOM 24 CB ARG A 2 4.116 33.510 -9.524 1.00 0.00 C ATOM 25 CG ARG A 2 2.711 32.884 -9.456 1.00 0.00 C ATOM 26 CD ARG A 2 1.635 33.772 -10.098 1.00 0.00 C ATOM 27 NE ARG A 2 1.337 34.966 -9.275 1.00 0.00 N ATOM 28 CZ ARG A 2 0.513 35.953 -9.590 1.00 0.00 C ATOM 29 NH1 ARG A 2 -0.151 35.971 -10.710 1.00 0.00 N ATOM 30 NH2 ARG A 2 0.334 36.949 -8.771 1.00 0.00 N ATOM 0 H ARG A 2 6.177 33.216 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 2 4.778 31.847 -8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.120 34.436 -8.950 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.337 33.775 -10.558 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.724 31.916 -9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.450 32.700 -8.414 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.968 34.087 -11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.723 33.192 -10.239 1.00 0.00 H new ATOM 0 HE ARG A 2 1.814 35.035 -8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.045 35.208 -11.378 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.777 36.748 -10.919 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.830 36.972 -7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.302 37.706 -9.020 1.00 0.00 H new ATOM 44 N GLY A 3 5.098 31.025 -10.903 1.00 0.00 N ATOM 45 CA GLY A 3 5.554 30.153 -12.000 1.00 0.00 C ATOM 46 C GLY A 3 5.897 28.715 -11.584 1.00 0.00 C ATOM 47 O GLY A 3 5.742 28.319 -10.424 1.00 0.00 O ATOM 0 H GLY A 3 4.082 31.084 -10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.777 30.119 -12.764 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.434 30.602 -12.460 1.00 0.00 H new ATOM 51 N SER A 4 6.364 27.925 -12.558 1.00 0.00 N ATOM 52 CA SER A 4 6.740 26.502 -12.420 1.00 0.00 C ATOM 53 C SER A 4 5.619 25.600 -11.865 1.00 0.00 C ATOM 54 O SER A 4 5.878 24.646 -11.132 1.00 0.00 O ATOM 55 CB SER A 4 8.066 26.351 -11.653 1.00 0.00 C ATOM 56 OG SER A 4 9.101 27.095 -12.285 1.00 0.00 O ATOM 0 H SER A 4 6.498 28.270 -13.508 1.00 0.00 H new ATOM 0 HA SER A 4 6.899 26.132 -13.433 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.939 26.695 -10.626 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.346 25.299 -11.604 1.00 0.00 H new ATOM 0 HG SER A 4 9.935 26.988 -11.782 1.00 0.00 H new ATOM 62 N HIS A 5 4.358 25.897 -12.215 1.00 0.00 N ATOM 63 CA HIS A 5 3.158 25.241 -11.665 1.00 0.00 C ATOM 64 C HIS A 5 3.088 23.728 -11.926 1.00 0.00 C ATOM 65 O HIS A 5 2.606 22.997 -11.060 1.00 0.00 O ATOM 66 CB HIS A 5 1.904 25.892 -12.263 1.00 0.00 C ATOM 67 CG HIS A 5 1.761 27.366 -11.974 1.00 0.00 C ATOM 68 ND1 HIS A 5 2.241 28.403 -12.780 1.00 0.00 N ATOM 69 CD2 HIS A 5 1.076 27.900 -10.922 1.00 0.00 C ATOM 70 CE1 HIS A 5 1.822 29.540 -12.198 1.00 0.00 C ATOM 71 NE2 HIS A 5 1.126 29.267 -11.081 1.00 0.00 N ATOM 0 H HIS A 5 4.138 26.616 -12.904 1.00 0.00 H new ATOM 0 HA HIS A 5 3.215 25.374 -10.585 1.00 0.00 H new ATOM 0 HB2 HIS A 5 1.916 25.747 -13.343 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.025 25.374 -11.881 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.591 27.358 -10.123 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.017 30.533 -12.575 1.00 0.00 H new ATOM 0 HE2 HIS A 5 0.706 29.956 -10.457 1.00 0.00 H new ATOM 79 N HIS A 6 3.581 23.274 -13.090 1.00 0.00 N ATOM 80 CA HIS A 6 3.464 21.903 -13.626 1.00 0.00 C ATOM 81 C HIS A 6 2.016 21.422 -13.882 1.00 0.00 C ATOM 82 O HIS A 6 1.044 21.961 -13.348 1.00 0.00 O ATOM 83 CB HIS A 6 4.283 20.931 -12.755 1.00 0.00 C ATOM 84 CG HIS A 6 4.464 19.561 -13.364 1.00 0.00 C ATOM 85 ND1 HIS A 6 4.875 19.306 -14.676 1.00 0.00 N ATOM 86 CD2 HIS A 6 4.218 18.374 -12.738 1.00 0.00 C ATOM 87 CE1 HIS A 6 4.874 17.968 -14.806 1.00 0.00 C ATOM 88 NE2 HIS A 6 4.484 17.383 -13.658 1.00 0.00 N ATOM 0 H HIS A 6 4.101 23.886 -13.719 1.00 0.00 H new ATOM 0 HA HIS A 6 3.891 21.920 -14.629 1.00 0.00 H new ATOM 0 HB2 HIS A 6 5.265 21.366 -12.568 1.00 0.00 H new ATOM 0 HB3 HIS A 6 3.792 20.825 -11.788 1.00 0.00 H new ATOM 0 HD2 HIS A 6 3.881 18.238 -11.721 1.00 0.00 H new ATOM 0 HE1 HIS A 6 5.148 17.437 -15.706 1.00 0.00 H new ATOM 0 HE2 HIS A 6 4.400 16.379 -13.497 1.00 0.00 H new ATOM 96 N HIS A 7 1.866 20.394 -14.726 1.00 0.00 N ATOM 97 CA HIS A 7 0.612 19.657 -14.942 1.00 0.00 C ATOM 98 C HIS A 7 0.877 18.181 -15.274 1.00 0.00 C ATOM 99 O HIS A 7 1.856 17.854 -15.949 1.00 0.00 O ATOM 100 CB HIS A 7 -0.244 20.311 -16.041 1.00 0.00 C ATOM 101 CG HIS A 7 -1.617 19.689 -16.183 1.00 0.00 C ATOM 102 ND1 HIS A 7 -2.386 19.161 -15.139 1.00 0.00 N ATOM 103 CD2 HIS A 7 -2.312 19.551 -17.351 1.00 0.00 C ATOM 104 CE1 HIS A 7 -3.529 18.730 -15.700 1.00 0.00 C ATOM 105 NE2 HIS A 7 -3.509 18.948 -17.027 1.00 0.00 N ATOM 0 H HIS A 7 2.635 20.041 -15.295 1.00 0.00 H new ATOM 0 HA HIS A 7 0.052 19.699 -14.008 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.355 21.373 -15.821 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.281 20.236 -16.993 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.987 19.855 -18.335 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.347 18.274 -15.162 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.253 18.708 -17.682 1.00 0.00 H new ATOM 113 N HIS A 8 -0.016 17.293 -14.825 1.00 0.00 N ATOM 114 CA HIS A 8 -0.009 15.866 -15.164 1.00 0.00 C ATOM 115 C HIS A 8 -0.968 15.581 -16.334 1.00 0.00 C ATOM 116 O HIS A 8 -0.548 15.589 -17.494 1.00 0.00 O ATOM 117 CB HIS A 8 -0.270 15.018 -13.906 1.00 0.00 C ATOM 118 CG HIS A 8 -0.298 13.543 -14.200 1.00 0.00 C ATOM 119 ND1 HIS A 8 -1.455 12.773 -14.359 1.00 0.00 N ATOM 120 CD2 HIS A 8 0.791 12.773 -14.485 1.00 0.00 C ATOM 121 CE1 HIS A 8 -1.029 11.560 -14.757 1.00 0.00 C ATOM 122 NE2 HIS A 8 0.312 11.528 -14.823 1.00 0.00 N ATOM 0 H HIS A 8 -0.781 17.552 -14.202 1.00 0.00 H new ATOM 0 HA HIS A 8 0.978 15.573 -15.521 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.504 15.223 -13.167 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.221 15.315 -13.463 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.826 13.080 -14.452 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.676 10.728 -14.991 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.878 10.719 -15.080 1.00 0.00 H new ATOM 130 N HIS A 9 -2.252 15.358 -16.035 1.00 0.00 N ATOM 131 CA HIS A 9 -3.333 15.108 -16.996 1.00 0.00 C ATOM 132 C HIS A 9 -4.698 15.410 -16.358 1.00 0.00 C ATOM 133 O HIS A 9 -4.849 15.320 -15.137 1.00 0.00 O ATOM 134 CB HIS A 9 -3.273 13.643 -17.469 1.00 0.00 C ATOM 135 CG HIS A 9 -4.324 13.287 -18.496 1.00 0.00 C ATOM 136 ND1 HIS A 9 -4.661 14.060 -19.614 1.00 0.00 N ATOM 137 CD2 HIS A 9 -5.131 12.188 -18.461 1.00 0.00 C ATOM 138 CE1 HIS A 9 -5.660 13.401 -20.228 1.00 0.00 C ATOM 139 NE2 HIS A 9 -5.961 12.277 -19.556 1.00 0.00 N ATOM 0 H HIS A 9 -2.582 15.346 -15.070 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.206 15.766 -17.856 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -2.287 13.448 -17.890 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -3.386 12.988 -16.605 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.121 11.402 -17.720 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.151 13.729 -21.133 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -6.682 11.604 -19.814 1.00 0.00 H new ATOM 147 N HIS A 10 -5.697 15.723 -17.187 1.00 0.00 N ATOM 148 CA HIS A 10 -7.101 15.928 -16.792 1.00 0.00 C ATOM 149 C HIS A 10 -7.804 14.584 -16.485 1.00 0.00 C ATOM 150 O HIS A 10 -7.153 13.608 -16.104 1.00 0.00 O ATOM 151 CB HIS A 10 -7.787 16.746 -17.904 1.00 0.00 C ATOM 152 CG HIS A 10 -7.127 18.078 -18.172 1.00 0.00 C ATOM 153 ND1 HIS A 10 -7.155 19.184 -17.314 1.00 0.00 N ATOM 154 CD2 HIS A 10 -6.425 18.410 -19.295 1.00 0.00 C ATOM 155 CE1 HIS A 10 -6.484 20.161 -17.949 1.00 0.00 C ATOM 156 NE2 HIS A 10 -6.028 19.723 -19.136 1.00 0.00 N ATOM 0 H HIS A 10 -5.550 15.846 -18.189 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.165 16.490 -15.860 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.791 16.161 -18.824 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -8.828 16.915 -17.629 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.220 17.771 -20.141 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.333 21.157 -17.561 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -5.482 20.267 -19.804 1.00 0.00 H new ATOM 164 N GLY A 11 -9.133 14.511 -16.612 1.00 0.00 N ATOM 165 CA GLY A 11 -9.915 13.281 -16.408 1.00 0.00 C ATOM 166 C GLY A 11 -11.240 13.251 -17.184 1.00 0.00 C ATOM 167 O GLY A 11 -11.696 14.272 -17.710 1.00 0.00 O ATOM 0 H GLY A 11 -9.707 15.316 -16.863 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.311 12.424 -16.706 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.125 13.168 -15.344 1.00 0.00 H new ATOM 171 N SER A 12 -11.851 12.067 -17.253 1.00 0.00 N ATOM 172 CA SER A 12 -13.122 11.788 -17.949 1.00 0.00 C ATOM 173 C SER A 12 -13.978 10.760 -17.190 1.00 0.00 C ATOM 174 O SER A 12 -13.484 10.039 -16.316 1.00 0.00 O ATOM 175 CB SER A 12 -12.847 11.316 -19.387 1.00 0.00 C ATOM 176 OG SER A 12 -12.080 10.118 -19.404 1.00 0.00 O ATOM 0 H SER A 12 -11.462 11.236 -16.808 1.00 0.00 H new ATOM 0 HA SER A 12 -13.693 12.716 -17.985 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.792 11.152 -19.904 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.317 12.097 -19.932 1.00 0.00 H new ATOM 0 HG SER A 12 -11.923 9.843 -20.331 1.00 0.00 H new ATOM 182 N GLY A 58 -15.280 10.697 -17.504 1.00 0.00 N ATOM 183 CA GLY A 58 -16.251 9.878 -16.766 1.00 0.00 C ATOM 184 C GLY A 58 -16.503 10.398 -15.342 1.00 0.00 C ATOM 185 O GLY A 58 -16.446 11.606 -15.091 1.00 0.00 O ATOM 0 H GLY A 58 -15.690 11.215 -18.281 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -17.193 9.858 -17.313 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.890 8.851 -16.715 1.00 0.00 H new ATOM 189 N ALA A 59 -16.780 9.491 -14.399 1.00 0.00 N ATOM 190 CA ALA A 59 -16.971 9.828 -12.985 1.00 0.00 C ATOM 191 C ALA A 59 -15.661 10.283 -12.303 1.00 0.00 C ATOM 192 O ALA A 59 -14.580 9.750 -12.576 1.00 0.00 O ATOM 193 CB ALA A 59 -17.599 8.626 -12.269 1.00 0.00 C ATOM 0 H ALA A 59 -16.879 8.495 -14.597 1.00 0.00 H new ATOM 0 HA ALA A 59 -17.646 10.682 -12.918 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -17.746 8.866 -11.216 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -18.561 8.393 -12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -16.937 7.764 -12.356 1.00 0.00 H new ATOM 199 N LEU A 60 -15.766 11.256 -11.387 1.00 0.00 N ATOM 200 CA LEU A 60 -14.652 11.772 -10.582 1.00 0.00 C ATOM 201 C LEU A 60 -14.339 10.863 -9.368 1.00 0.00 C ATOM 202 O LEU A 60 -14.983 9.831 -9.157 1.00 0.00 O ATOM 203 CB LEU A 60 -14.941 13.245 -10.203 1.00 0.00 C ATOM 204 CG LEU A 60 -14.467 14.259 -11.266 1.00 0.00 C ATOM 205 CD1 LEU A 60 -15.262 14.195 -12.570 1.00 0.00 C ATOM 206 CD2 LEU A 60 -14.584 15.677 -10.710 1.00 0.00 C ATOM 0 H LEU A 60 -16.652 11.717 -11.181 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.737 11.756 -11.174 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.013 13.368 -10.047 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.453 13.470 -9.255 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.434 13.997 -11.494 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.874 14.935 -13.270 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.168 13.200 -13.005 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.312 14.404 -12.367 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.249 16.391 -11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.623 15.882 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.964 15.771 -9.819 1.00 0.00 H new ATOM 218 N ALA A 61 -13.314 11.234 -8.592 1.00 0.00 N ATOM 219 CA ALA A 61 -12.741 10.428 -7.512 1.00 0.00 C ATOM 220 C ALA A 61 -13.760 9.909 -6.481 1.00 0.00 C ATOM 221 O ALA A 61 -14.639 10.650 -6.028 1.00 0.00 O ATOM 222 CB ALA A 61 -11.689 11.263 -6.783 1.00 0.00 C ATOM 0 H ALA A 61 -12.846 12.134 -8.704 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.317 9.544 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -11.253 10.675 -5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.906 11.554 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.156 12.157 -6.370 1.00 0.00 H new ATOM 228 N ALA A 62 -13.564 8.663 -6.048 1.00 0.00 N ATOM 229 CA ALA A 62 -14.328 8.004 -4.992 1.00 0.00 C ATOM 230 C ALA A 62 -13.526 7.756 -3.705 1.00 0.00 C ATOM 231 O ALA A 62 -12.305 7.599 -3.728 1.00 0.00 O ATOM 232 CB ALA A 62 -14.913 6.698 -5.545 1.00 0.00 C ATOM 0 H ALA A 62 -12.839 8.062 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.129 8.681 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.486 6.197 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.566 6.920 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.103 6.047 -5.875 1.00 0.00 H new ATOM 238 N LEU A 63 -14.245 7.686 -2.579 1.00 0.00 N ATOM 239 CA LEU A 63 -13.702 7.444 -1.240 1.00 0.00 C ATOM 240 C LEU A 63 -14.315 6.188 -0.602 1.00 0.00 C ATOM 241 O LEU A 63 -15.486 5.872 -0.821 1.00 0.00 O ATOM 242 CB LEU A 63 -13.962 8.665 -0.332 1.00 0.00 C ATOM 243 CG LEU A 63 -13.419 10.014 -0.831 1.00 0.00 C ATOM 244 CD1 LEU A 63 -13.791 11.121 0.155 1.00 0.00 C ATOM 245 CD2 LEU A 63 -11.899 10.004 -0.976 1.00 0.00 C ATOM 0 H LEU A 63 -15.259 7.801 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.628 7.285 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.038 8.762 -0.189 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.527 8.462 0.647 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.865 10.193 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.403 12.074 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.876 11.181 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.360 10.899 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.561 10.978 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.443 9.792 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.607 9.235 -1.692 1.00 0.00 H new ATOM 257 N HIS A 64 -13.542 5.517 0.254 1.00 0.00 N ATOM 258 CA HIS A 64 -14.065 4.541 1.220 1.00 0.00 C ATOM 259 C HIS A 64 -14.915 5.254 2.285 1.00 0.00 C ATOM 260 O HIS A 64 -14.546 6.335 2.749 1.00 0.00 O ATOM 261 CB HIS A 64 -12.898 3.803 1.879 1.00 0.00 C ATOM 262 CG HIS A 64 -12.144 2.857 0.975 1.00 0.00 C ATOM 263 ND1 HIS A 64 -12.647 1.657 0.470 1.00 0.00 N ATOM 264 CD2 HIS A 64 -10.834 2.981 0.614 1.00 0.00 C ATOM 265 CE1 HIS A 64 -11.625 1.086 -0.187 1.00 0.00 C ATOM 266 NE2 HIS A 64 -10.526 1.858 -0.124 1.00 0.00 N ATOM 0 H HIS A 64 -12.530 5.634 0.299 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.697 3.821 0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.198 4.540 2.272 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -13.279 3.240 2.731 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.170 3.797 0.858 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.678 0.135 -0.697 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.622 1.649 -0.548 1.00 0.00 H new ATOM 274 N ALA A 65 -16.035 4.652 2.696 1.00 0.00 N ATOM 275 CA ALA A 65 -17.020 5.291 3.580 1.00 0.00 C ATOM 276 C ALA A 65 -16.972 4.821 5.053 1.00 0.00 C ATOM 277 O ALA A 65 -17.519 5.496 5.926 1.00 0.00 O ATOM 278 CB ALA A 65 -18.408 5.063 2.965 1.00 0.00 C ATOM 0 H ALA A 65 -16.287 3.702 2.424 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.777 6.352 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.166 5.525 3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.443 5.509 1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.601 3.993 2.890 1.00 0.00 H new ATOM 284 N GLU A 66 -16.336 3.677 5.340 1.00 0.00 N ATOM 285 CA GLU A 66 -16.367 3.006 6.655 1.00 0.00 C ATOM 286 C GLU A 66 -14.994 2.436 7.069 1.00 0.00 C ATOM 287 O GLU A 66 -14.118 2.201 6.231 1.00 0.00 O ATOM 288 CB GLU A 66 -17.417 1.876 6.645 1.00 0.00 C ATOM 289 CG GLU A 66 -18.856 2.377 6.461 1.00 0.00 C ATOM 290 CD GLU A 66 -19.863 1.218 6.597 1.00 0.00 C ATOM 291 OE1 GLU A 66 -20.189 0.562 5.576 1.00 0.00 O ATOM 292 OE2 GLU A 66 -20.345 0.955 7.727 1.00 0.00 O ATOM 0 H GLU A 66 -15.772 3.178 4.652 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.636 3.764 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.179 1.177 5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.351 1.322 7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.076 3.144 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.961 2.842 5.481 1.00 0.00 H new ATOM 299 N GLY A 67 -14.814 2.190 8.376 1.00 0.00 N ATOM 300 CA GLY A 67 -13.598 1.598 8.948 1.00 0.00 C ATOM 301 C GLY A 67 -12.368 2.525 8.933 1.00 0.00 C ATOM 302 O GLY A 67 -12.506 3.734 8.713 1.00 0.00 O ATOM 0 H GLY A 67 -15.524 2.402 9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.802 1.303 9.977 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.358 0.688 8.397 1.00 0.00 H new ATOM 306 N PRO A 68 -11.143 1.987 9.130 1.00 0.00 N ATOM 307 CA PRO A 68 -9.900 2.778 9.152 1.00 0.00 C ATOM 308 C PRO A 68 -9.622 3.540 7.846 1.00 0.00 C ATOM 309 O PRO A 68 -8.928 4.560 7.850 1.00 0.00 O ATOM 310 CB PRO A 68 -8.781 1.764 9.427 1.00 0.00 C ATOM 311 CG PRO A 68 -9.370 0.414 9.020 1.00 0.00 C ATOM 312 CD PRO A 68 -10.849 0.577 9.350 1.00 0.00 C ATOM 0 HA PRO A 68 -9.973 3.556 9.912 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.886 1.996 8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.492 1.769 10.478 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.212 0.207 7.962 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.920 -0.408 9.576 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.466 -0.057 8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.055 0.289 10.381 1.00 0.00 H new ATOM 320 N LEU A 69 -10.181 3.058 6.732 1.00 0.00 N ATOM 321 CA LEU A 69 -10.067 3.645 5.395 1.00 0.00 C ATOM 322 C LEU A 69 -11.081 4.775 5.130 1.00 0.00 C ATOM 323 O LEU A 69 -10.975 5.439 4.097 1.00 0.00 O ATOM 324 CB LEU A 69 -10.161 2.487 4.374 1.00 0.00 C ATOM 325 CG LEU A 69 -8.811 1.995 3.815 1.00 0.00 C ATOM 326 CD1 LEU A 69 -7.774 1.704 4.900 1.00 0.00 C ATOM 327 CD2 LEU A 69 -9.009 0.698 3.032 1.00 0.00 C ATOM 0 H LEU A 69 -10.750 2.211 6.739 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.105 4.148 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.668 1.646 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.786 2.808 3.541 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.443 2.805 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.849 1.362 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.580 2.612 5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.153 0.930 5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.050 0.359 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.423 -0.065 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.696 0.874 2.204 1.00 0.00 H new ATOM 339 N ALA A 70 -12.038 5.035 6.031 1.00 0.00 N ATOM 340 CA ALA A 70 -13.050 6.074 5.843 1.00 0.00 C ATOM 341 C ALA A 70 -12.421 7.443 5.500 1.00 0.00 C ATOM 342 O ALA A 70 -11.562 7.950 6.226 1.00 0.00 O ATOM 343 CB ALA A 70 -13.931 6.168 7.095 1.00 0.00 C ATOM 0 H ALA A 70 -12.129 4.528 6.911 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.669 5.795 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.684 6.943 6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.423 5.211 7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.313 6.417 7.957 1.00 0.00 H new ATOM 349 N GLY A 71 -12.860 8.038 4.384 1.00 0.00 N ATOM 350 CA GLY A 71 -12.346 9.313 3.870 1.00 0.00 C ATOM 351 C GLY A 71 -11.179 9.221 2.886 1.00 0.00 C ATOM 352 O GLY A 71 -10.721 10.264 2.416 1.00 0.00 O ATOM 0 H GLY A 71 -13.597 7.639 3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.165 9.841 3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.033 9.923 4.717 1.00 0.00 H new ATOM 356 N LEU A 72 -10.683 8.018 2.575 1.00 0.00 N ATOM 357 CA LEU A 72 -9.492 7.813 1.738 1.00 0.00 C ATOM 358 C LEU A 72 -9.849 7.270 0.330 1.00 0.00 C ATOM 359 O LEU A 72 -10.872 6.594 0.198 1.00 0.00 O ATOM 360 CB LEU A 72 -8.529 6.889 2.501 1.00 0.00 C ATOM 361 CG LEU A 72 -8.161 7.286 3.946 1.00 0.00 C ATOM 362 CD1 LEU A 72 -7.071 6.337 4.451 1.00 0.00 C ATOM 363 CD2 LEU A 72 -7.642 8.721 4.065 1.00 0.00 C ATOM 0 H LEU A 72 -11.102 7.147 2.901 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.004 8.770 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.968 5.892 2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.606 6.816 1.926 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.073 7.218 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.800 6.605 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.443 5.313 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.193 6.417 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.402 8.936 5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.746 8.836 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.408 9.415 3.719 1.00 0.00 H new ATOM 375 N PRO A 73 -9.038 7.525 -0.723 1.00 0.00 N ATOM 376 CA PRO A 73 -9.297 7.070 -2.101 1.00 0.00 C ATOM 377 C PRO A 73 -9.426 5.548 -2.211 1.00 0.00 C ATOM 378 O PRO A 73 -8.706 4.808 -1.540 1.00 0.00 O ATOM 379 CB PRO A 73 -8.122 7.584 -2.946 1.00 0.00 C ATOM 380 CG PRO A 73 -7.006 7.787 -1.924 1.00 0.00 C ATOM 381 CD PRO A 73 -7.760 8.225 -0.675 1.00 0.00 C ATOM 0 HA PRO A 73 -10.253 7.461 -2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.836 6.865 -3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.372 8.514 -3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.443 6.869 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.292 8.543 -2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.206 7.968 0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.905 9.305 -0.663 1.00 0.00 H new ATOM 389 N VAL A 74 -10.307 5.067 -3.091 1.00 0.00 N ATOM 390 CA VAL A 74 -10.494 3.623 -3.326 1.00 0.00 C ATOM 391 C VAL A 74 -9.396 3.058 -4.243 1.00 0.00 C ATOM 392 O VAL A 74 -8.921 1.943 -4.019 1.00 0.00 O ATOM 393 CB VAL A 74 -11.914 3.314 -3.848 1.00 0.00 C ATOM 394 CG1 VAL A 74 -12.164 1.809 -3.982 1.00 0.00 C ATOM 395 CG2 VAL A 74 -12.985 3.860 -2.896 1.00 0.00 C ATOM 0 H VAL A 74 -10.911 5.659 -3.661 1.00 0.00 H new ATOM 0 HA VAL A 74 -10.396 3.114 -2.367 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.979 3.792 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -13.175 1.640 -4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.445 1.382 -4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.050 1.333 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.974 3.627 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.868 3.401 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.875 4.941 -2.806 1.00 0.00 H new ATOM 405 N THR A 75 -8.947 3.835 -5.233 1.00 0.00 N ATOM 406 CA THR A 75 -7.864 3.485 -6.175 1.00 0.00 C ATOM 407 C THR A 75 -6.955 4.683 -6.515 1.00 0.00 C ATOM 408 O THR A 75 -7.275 5.836 -6.210 1.00 0.00 O ATOM 409 CB THR A 75 -8.442 2.786 -7.418 1.00 0.00 C ATOM 410 OG1 THR A 75 -7.420 2.430 -8.325 1.00 0.00 O ATOM 411 CG2 THR A 75 -9.446 3.666 -8.140 1.00 0.00 C ATOM 0 H THR A 75 -9.338 4.760 -5.412 1.00 0.00 H new ATOM 0 HA THR A 75 -7.204 2.774 -5.678 1.00 0.00 H new ATOM 0 HB THR A 75 -8.945 1.887 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.815 1.986 -9.105 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.832 3.138 -9.012 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.269 3.906 -7.467 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.959 4.587 -8.460 1.00 0.00 H new ATOM 419 N ARG A 76 -5.811 4.423 -7.168 1.00 0.00 N ATOM 420 CA ARG A 76 -4.827 5.439 -7.597 1.00 0.00 C ATOM 421 C ARG A 76 -5.467 6.528 -8.458 1.00 0.00 C ATOM 422 O ARG A 76 -5.132 7.690 -8.287 1.00 0.00 O ATOM 423 CB ARG A 76 -3.662 4.739 -8.331 1.00 0.00 C ATOM 424 CG ARG A 76 -2.528 5.714 -8.708 1.00 0.00 C ATOM 425 CD ARG A 76 -1.366 5.040 -9.448 1.00 0.00 C ATOM 426 NE ARG A 76 -1.732 4.634 -10.822 1.00 0.00 N ATOM 427 CZ ARG A 76 -0.891 4.287 -11.783 1.00 0.00 C ATOM 428 NH1 ARG A 76 0.395 4.244 -11.599 1.00 0.00 N ATOM 429 NH2 ARG A 76 -1.337 3.977 -12.968 1.00 0.00 N ATOM 0 H ARG A 76 -5.534 3.474 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.437 5.945 -6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.261 3.948 -7.697 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.041 4.262 -9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.935 6.509 -9.333 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.147 6.185 -7.802 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.519 5.724 -9.488 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.042 4.163 -8.887 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.726 4.620 -11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.788 4.483 -10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.011 3.972 -12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.339 4.001 -13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.684 3.710 -13.705 1.00 0.00 H new ATOM 443 N SER A 77 -6.438 6.184 -9.302 1.00 0.00 N ATOM 444 CA SER A 77 -7.207 7.153 -10.104 1.00 0.00 C ATOM 445 C SER A 77 -7.964 8.159 -9.230 1.00 0.00 C ATOM 446 O SER A 77 -7.944 9.361 -9.508 1.00 0.00 O ATOM 447 CB SER A 77 -8.192 6.409 -11.018 1.00 0.00 C ATOM 448 OG SER A 77 -7.489 5.480 -11.830 1.00 0.00 O ATOM 0 H SER A 77 -6.721 5.216 -9.455 1.00 0.00 H new ATOM 0 HA SER A 77 -6.495 7.716 -10.707 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.938 5.889 -10.417 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.728 7.121 -11.645 1.00 0.00 H new ATOM 0 HG SER A 77 -8.122 5.007 -12.410 1.00 0.00 H new ATOM 454 N ASP A 78 -8.550 7.703 -8.116 1.00 0.00 N ATOM 455 CA ASP A 78 -9.193 8.593 -7.142 1.00 0.00 C ATOM 456 C ASP A 78 -8.146 9.451 -6.438 1.00 0.00 C ATOM 457 O ASP A 78 -8.317 10.660 -6.362 1.00 0.00 O ATOM 458 CB ASP A 78 -9.995 7.825 -6.084 1.00 0.00 C ATOM 459 CG ASP A 78 -10.967 6.793 -6.654 1.00 0.00 C ATOM 460 OD1 ASP A 78 -11.729 7.126 -7.590 1.00 0.00 O ATOM 461 OD2 ASP A 78 -10.972 5.667 -6.114 1.00 0.00 O ATOM 0 H ASP A 78 -8.592 6.715 -7.866 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.885 9.220 -7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.299 7.320 -5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.555 8.540 -5.481 1.00 0.00 H new ATOM 466 N ALA A 79 -7.036 8.858 -5.983 1.00 0.00 N ATOM 467 CA ALA A 79 -5.955 9.608 -5.329 1.00 0.00 C ATOM 468 C ALA A 79 -5.381 10.712 -6.240 1.00 0.00 C ATOM 469 O ALA A 79 -5.210 11.852 -5.811 1.00 0.00 O ATOM 470 CB ALA A 79 -4.872 8.611 -4.899 1.00 0.00 C ATOM 0 H ALA A 79 -6.862 7.856 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.352 10.123 -4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.058 9.146 -4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.299 7.887 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.488 8.090 -5.776 1.00 0.00 H new ATOM 476 N ARG A 80 -5.167 10.396 -7.523 1.00 0.00 N ATOM 477 CA ARG A 80 -4.686 11.324 -8.558 1.00 0.00 C ATOM 478 C ARG A 80 -5.674 12.469 -8.786 1.00 0.00 C ATOM 479 O ARG A 80 -5.284 13.630 -8.748 1.00 0.00 O ATOM 480 CB ARG A 80 -4.411 10.519 -9.847 1.00 0.00 C ATOM 481 CG ARG A 80 -3.570 11.300 -10.864 1.00 0.00 C ATOM 482 CD ARG A 80 -3.475 10.577 -12.212 1.00 0.00 C ATOM 483 NE ARG A 80 -4.736 10.678 -12.980 1.00 0.00 N ATOM 484 CZ ARG A 80 -5.162 11.705 -13.701 1.00 0.00 C ATOM 485 NH1 ARG A 80 -4.441 12.770 -13.898 1.00 0.00 N ATOM 486 NH2 ARG A 80 -6.341 11.677 -14.242 1.00 0.00 N ATOM 0 H ARG A 80 -5.329 9.456 -7.883 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.759 11.795 -8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.896 9.594 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.360 10.239 -10.305 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.007 12.287 -11.013 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.568 11.452 -10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.659 11.002 -12.796 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.234 9.527 -12.045 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.348 9.863 -12.951 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.508 12.837 -13.490 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.808 13.538 -14.460 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -6.942 10.863 -14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -6.667 12.469 -14.797 1.00 0.00 H new ATOM 500 N VAL A 81 -6.964 12.168 -8.953 1.00 0.00 N ATOM 501 CA VAL A 81 -7.991 13.213 -9.143 1.00 0.00 C ATOM 502 C VAL A 81 -8.240 14.021 -7.858 1.00 0.00 C ATOM 503 O VAL A 81 -8.449 15.227 -7.959 1.00 0.00 O ATOM 504 CB VAL A 81 -9.281 12.621 -9.751 1.00 0.00 C ATOM 505 CG1 VAL A 81 -10.459 13.605 -9.766 1.00 0.00 C ATOM 506 CG2 VAL A 81 -9.044 12.195 -11.205 1.00 0.00 C ATOM 0 H VAL A 81 -7.328 11.215 -8.962 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.607 13.931 -9.867 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.533 11.775 -9.112 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.331 13.122 -10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.690 13.911 -8.746 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -10.193 14.482 -10.356 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.964 11.780 -11.617 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.741 13.061 -11.793 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.258 11.440 -11.240 1.00 0.00 H new ATOM 516 N LEU A 82 -8.132 13.436 -6.656 1.00 0.00 N ATOM 517 CA LEU A 82 -8.199 14.198 -5.397 1.00 0.00 C ATOM 518 C LEU A 82 -7.036 15.198 -5.276 1.00 0.00 C ATOM 519 O LEU A 82 -7.276 16.367 -4.979 1.00 0.00 O ATOM 520 CB LEU A 82 -8.221 13.229 -4.198 1.00 0.00 C ATOM 521 CG LEU A 82 -9.539 12.445 -4.032 1.00 0.00 C ATOM 522 CD1 LEU A 82 -9.316 11.281 -3.074 1.00 0.00 C ATOM 523 CD2 LEU A 82 -10.685 13.307 -3.501 1.00 0.00 C ATOM 0 H LEU A 82 -7.997 12.433 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.121 14.779 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.402 12.518 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.033 13.795 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.826 12.093 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.246 10.725 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.547 10.621 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.995 11.664 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.584 12.698 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.415 13.710 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.874 14.128 -4.193 1.00 0.00 H new ATOM 535 N ILE A 83 -5.795 14.784 -5.567 1.00 0.00 N ATOM 536 CA ILE A 83 -4.630 15.695 -5.555 1.00 0.00 C ATOM 537 C ILE A 83 -4.747 16.750 -6.668 1.00 0.00 C ATOM 538 O ILE A 83 -4.427 17.917 -6.442 1.00 0.00 O ATOM 539 CB ILE A 83 -3.301 14.912 -5.652 1.00 0.00 C ATOM 540 CG1 ILE A 83 -3.107 13.989 -4.423 1.00 0.00 C ATOM 541 CG2 ILE A 83 -2.110 15.888 -5.760 1.00 0.00 C ATOM 542 CD1 ILE A 83 -2.038 12.912 -4.642 1.00 0.00 C ATOM 0 H ILE A 83 -5.566 13.821 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.625 16.220 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.343 14.293 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.831 14.596 -3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.055 13.508 -4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.181 15.322 -5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.225 16.505 -6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.082 16.527 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.950 12.299 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.323 12.283 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.080 13.388 -4.852 1.00 0.00 H new ATOM 554 N PHE A 84 -5.252 16.379 -7.851 1.00 0.00 N ATOM 555 CA PHE A 84 -5.505 17.337 -8.927 1.00 0.00 C ATOM 556 C PHE A 84 -6.530 18.402 -8.518 1.00 0.00 C ATOM 557 O PHE A 84 -6.255 19.592 -8.641 1.00 0.00 O ATOM 558 CB PHE A 84 -5.975 16.615 -10.195 1.00 0.00 C ATOM 559 CG PHE A 84 -6.212 17.546 -11.372 1.00 0.00 C ATOM 560 CD1 PHE A 84 -5.211 18.456 -11.760 1.00 0.00 C ATOM 561 CD2 PHE A 84 -7.444 17.540 -12.053 1.00 0.00 C ATOM 562 CE1 PHE A 84 -5.429 19.351 -12.818 1.00 0.00 C ATOM 563 CE2 PHE A 84 -7.663 18.433 -13.119 1.00 0.00 C ATOM 564 CZ PHE A 84 -6.656 19.337 -13.504 1.00 0.00 C ATOM 0 H PHE A 84 -5.494 15.416 -8.085 1.00 0.00 H new ATOM 0 HA PHE A 84 -4.562 17.844 -9.133 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.231 15.870 -10.476 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.898 16.077 -9.976 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.266 18.465 -11.238 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.221 16.850 -11.758 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.656 20.049 -13.105 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.607 18.424 -13.643 1.00 0.00 H new ATOM 0 HZ PHE A 84 -6.825 20.019 -14.325 1.00 0.00 H new ATOM 574 N ASN A 85 -7.687 17.989 -7.987 1.00 0.00 N ATOM 575 CA ASN A 85 -8.728 18.905 -7.525 1.00 0.00 C ATOM 576 C ASN A 85 -8.242 19.789 -6.357 1.00 0.00 C ATOM 577 O ASN A 85 -8.567 20.976 -6.320 1.00 0.00 O ATOM 578 CB ASN A 85 -9.960 18.072 -7.136 1.00 0.00 C ATOM 579 CG ASN A 85 -11.098 18.941 -6.624 1.00 0.00 C ATOM 580 OD1 ASN A 85 -11.324 19.068 -5.430 1.00 0.00 O ATOM 581 ND2 ASN A 85 -11.842 19.574 -7.505 1.00 0.00 N ATOM 0 H ASN A 85 -7.925 17.005 -7.867 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.989 19.594 -8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.300 17.502 -8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.682 17.350 -6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.607 20.171 -7.191 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.653 19.468 -8.502 1.00 0.00 H new ATOM 588 N GLU A 86 -7.424 19.241 -5.450 1.00 0.00 N ATOM 589 CA GLU A 86 -6.754 20.000 -4.390 1.00 0.00 C ATOM 590 C GLU A 86 -5.857 21.100 -4.978 1.00 0.00 C ATOM 591 O GLU A 86 -6.086 22.277 -4.684 1.00 0.00 O ATOM 592 CB GLU A 86 -5.957 19.046 -3.482 1.00 0.00 C ATOM 593 CG GLU A 86 -5.299 19.749 -2.290 1.00 0.00 C ATOM 594 CD GLU A 86 -4.359 18.778 -1.553 1.00 0.00 C ATOM 595 OE1 GLU A 86 -4.835 17.843 -0.869 1.00 0.00 O ATOM 596 OE2 GLU A 86 -3.118 18.910 -1.669 1.00 0.00 O ATOM 0 H GLU A 86 -7.207 18.245 -5.433 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.512 20.496 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.623 18.267 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.186 18.552 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.738 20.618 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.065 20.115 -1.606 1.00 0.00 H new ATOM 603 N TRP A 87 -4.884 20.757 -5.843 1.00 0.00 N ATOM 604 CA TRP A 87 -4.068 21.758 -6.521 1.00 0.00 C ATOM 605 C TRP A 87 -4.925 22.788 -7.263 1.00 0.00 C ATOM 606 O TRP A 87 -4.674 23.980 -7.126 1.00 0.00 O ATOM 607 CB TRP A 87 -3.100 21.090 -7.505 1.00 0.00 C ATOM 608 CG TRP A 87 -2.427 22.087 -8.397 1.00 0.00 C ATOM 609 CD1 TRP A 87 -1.377 22.860 -8.047 1.00 0.00 C ATOM 610 CD2 TRP A 87 -2.837 22.547 -9.725 1.00 0.00 C ATOM 611 NE1 TRP A 87 -1.087 23.743 -9.069 1.00 0.00 N ATOM 612 CE2 TRP A 87 -1.962 23.601 -10.124 1.00 0.00 C ATOM 613 CE3 TRP A 87 -3.884 22.211 -10.612 1.00 0.00 C ATOM 614 CZ2 TRP A 87 -2.103 24.274 -11.345 1.00 0.00 C ATOM 615 CZ3 TRP A 87 -4.045 22.890 -11.836 1.00 0.00 C ATOM 616 CH2 TRP A 87 -3.157 23.917 -12.203 1.00 0.00 C ATOM 0 H TRP A 87 -4.651 19.793 -6.083 1.00 0.00 H new ATOM 0 HA TRP A 87 -3.500 22.281 -5.751 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -2.345 20.534 -6.949 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -3.644 20.368 -8.114 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -0.844 22.797 -7.110 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -0.321 24.416 -9.046 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.572 21.421 -10.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -1.412 25.056 -11.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -4.856 22.620 -12.497 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.285 24.431 -13.144 1.00 0.00 H new ATOM 627 N GLU A 88 -5.937 22.355 -8.015 1.00 0.00 N ATOM 628 CA GLU A 88 -6.724 23.234 -8.875 1.00 0.00 C ATOM 629 C GLU A 88 -7.521 24.266 -8.060 1.00 0.00 C ATOM 630 O GLU A 88 -7.463 25.461 -8.352 1.00 0.00 O ATOM 631 CB GLU A 88 -7.650 22.385 -9.766 1.00 0.00 C ATOM 632 CG GLU A 88 -8.085 23.153 -11.018 1.00 0.00 C ATOM 633 CD GLU A 88 -9.552 22.853 -11.387 1.00 0.00 C ATOM 634 OE1 GLU A 88 -10.473 23.462 -10.789 1.00 0.00 O ATOM 635 OE2 GLU A 88 -9.798 22.015 -12.289 1.00 0.00 O ATOM 0 H GLU A 88 -6.234 21.380 -8.044 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.042 23.800 -9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.135 21.470 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.530 22.087 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.963 24.223 -10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.437 22.886 -11.853 1.00 0.00 H new ATOM 642 N GLU A 89 -8.205 23.839 -6.996 1.00 0.00 N ATOM 643 CA GLU A 89 -8.947 24.731 -6.099 1.00 0.00 C ATOM 644 C GLU A 89 -8.009 25.705 -5.365 1.00 0.00 C ATOM 645 O GLU A 89 -8.257 26.917 -5.354 1.00 0.00 O ATOM 646 CB GLU A 89 -9.769 23.886 -5.112 1.00 0.00 C ATOM 647 CG GLU A 89 -10.667 24.746 -4.218 1.00 0.00 C ATOM 648 CD GLU A 89 -11.551 23.864 -3.316 1.00 0.00 C ATOM 649 OE1 GLU A 89 -11.105 23.478 -2.208 1.00 0.00 O ATOM 650 OE2 GLU A 89 -12.708 23.562 -3.702 1.00 0.00 O ATOM 0 H GLU A 89 -8.261 22.856 -6.730 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.626 25.344 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.384 23.178 -5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.094 23.300 -4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.052 25.402 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.296 25.386 -4.836 1.00 0.00 H new ATOM 657 N ARG A 90 -6.892 25.202 -4.815 1.00 0.00 N ATOM 658 CA ARG A 90 -5.873 26.050 -4.171 1.00 0.00 C ATOM 659 C ARG A 90 -5.322 27.077 -5.150 1.00 0.00 C ATOM 660 O ARG A 90 -5.345 28.262 -4.850 1.00 0.00 O ATOM 661 CB ARG A 90 -4.714 25.199 -3.657 1.00 0.00 C ATOM 662 CG ARG A 90 -5.068 24.213 -2.543 1.00 0.00 C ATOM 663 CD ARG A 90 -4.957 24.792 -1.125 1.00 0.00 C ATOM 664 NE ARG A 90 -6.045 25.754 -0.836 1.00 0.00 N ATOM 665 CZ ARG A 90 -5.949 26.936 -0.249 1.00 0.00 C ATOM 666 NH1 ARG A 90 -4.815 27.423 0.166 1.00 0.00 N ATOM 667 NH2 ARG A 90 -7.014 27.662 -0.063 1.00 0.00 N ATOM 0 H ARG A 90 -6.670 24.207 -4.803 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.354 26.563 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.296 24.640 -4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.930 25.864 -3.295 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.087 23.858 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.413 23.345 -2.620 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.987 23.981 -0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.993 25.288 -1.010 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.982 25.471 -1.124 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.955 26.888 0.043 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.787 28.339 0.614 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.925 27.320 -0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.938 28.573 0.390 1.00 0.00 H new ATOM 681 N LYS A 91 -4.896 26.634 -6.335 1.00 0.00 N ATOM 682 CA LYS A 91 -4.404 27.493 -7.437 1.00 0.00 C ATOM 683 C LYS A 91 -5.420 28.577 -7.827 1.00 0.00 C ATOM 684 O LYS A 91 -5.032 29.722 -8.050 1.00 0.00 O ATOM 685 CB LYS A 91 -3.962 26.626 -8.639 1.00 0.00 C ATOM 686 CG LYS A 91 -3.387 27.439 -9.819 1.00 0.00 C ATOM 687 CD LYS A 91 -4.435 27.732 -10.912 1.00 0.00 C ATOM 688 CE LYS A 91 -3.965 28.767 -11.950 1.00 0.00 C ATOM 689 NZ LYS A 91 -2.909 28.247 -12.869 1.00 0.00 N ATOM 0 H LYS A 91 -4.880 25.642 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.526 28.032 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.211 25.912 -8.302 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.816 26.048 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.987 28.381 -9.444 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.553 26.892 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.684 26.803 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.350 28.091 -10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.821 29.094 -12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -3.583 29.645 -11.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.637 28.992 -13.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.077 27.960 -12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.277 27.426 -13.391 1.00 0.00 H new ATOM 703 N LYS A 92 -6.717 28.252 -7.876 1.00 0.00 N ATOM 704 CA LYS A 92 -7.797 29.213 -8.177 1.00 0.00 C ATOM 705 C LYS A 92 -8.021 30.238 -7.052 1.00 0.00 C ATOM 706 O LYS A 92 -8.344 31.389 -7.351 1.00 0.00 O ATOM 707 CB LYS A 92 -9.079 28.444 -8.544 1.00 0.00 C ATOM 708 CG LYS A 92 -8.971 27.868 -9.971 1.00 0.00 C ATOM 709 CD LYS A 92 -9.967 26.741 -10.269 1.00 0.00 C ATOM 710 CE LYS A 92 -11.438 27.167 -10.160 1.00 0.00 C ATOM 711 NZ LYS A 92 -12.344 26.058 -10.570 1.00 0.00 N ATOM 0 H LYS A 92 -7.055 27.305 -7.707 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.492 29.810 -9.036 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.243 27.636 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -9.941 29.108 -8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -9.125 28.674 -10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.959 27.494 -10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.782 26.362 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.785 25.917 -9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.660 27.463 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.616 28.039 -10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -12.772 26.282 -11.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.800 25.175 -10.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.094 25.942 -9.859 1.00 0.00 H new ATOM 725 N SER A 93 -7.790 29.872 -5.787 1.00 0.00 N ATOM 726 CA SER A 93 -7.804 30.814 -4.647 1.00 0.00 C ATOM 727 C SER A 93 -6.489 31.597 -4.441 1.00 0.00 C ATOM 728 O SER A 93 -6.517 32.739 -3.982 1.00 0.00 O ATOM 729 CB SER A 93 -8.146 30.069 -3.353 1.00 0.00 C ATOM 730 OG SER A 93 -9.471 29.557 -3.411 1.00 0.00 O ATOM 0 H SER A 93 -7.586 28.910 -5.517 1.00 0.00 H new ATOM 0 HA SER A 93 -8.567 31.552 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.440 29.253 -3.199 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.046 30.742 -2.501 1.00 0.00 H new ATOM 0 HG SER A 93 -9.675 29.082 -2.578 1.00 0.00 H new ATOM 736 N ASP A 94 -5.343 31.002 -4.777 1.00 0.00 N ATOM 737 CA ASP A 94 -3.977 31.452 -4.485 1.00 0.00 C ATOM 738 C ASP A 94 -3.026 30.988 -5.622 1.00 0.00 C ATOM 739 O ASP A 94 -2.662 29.810 -5.688 1.00 0.00 O ATOM 740 CB ASP A 94 -3.518 30.877 -3.133 1.00 0.00 C ATOM 741 CG ASP A 94 -4.231 31.530 -1.936 1.00 0.00 C ATOM 742 OD1 ASP A 94 -3.898 32.694 -1.604 1.00 0.00 O ATOM 743 OD2 ASP A 94 -5.087 30.872 -1.296 1.00 0.00 O ATOM 0 H ASP A 94 -5.344 30.126 -5.300 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.954 32.540 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -3.703 29.803 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.442 31.017 -3.030 1.00 0.00 H new ATOM 748 N PRO A 95 -2.597 31.884 -6.532 1.00 0.00 N ATOM 749 CA PRO A 95 -2.110 31.547 -7.883 1.00 0.00 C ATOM 750 C PRO A 95 -0.688 30.965 -7.981 1.00 0.00 C ATOM 751 O PRO A 95 -0.186 30.766 -9.086 1.00 0.00 O ATOM 752 CB PRO A 95 -2.244 32.856 -8.675 1.00 0.00 C ATOM 753 CG PRO A 95 -2.029 33.912 -7.594 1.00 0.00 C ATOM 754 CD PRO A 95 -2.813 33.317 -6.435 1.00 0.00 C ATOM 0 HA PRO A 95 -2.704 30.723 -8.278 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.501 32.929 -9.469 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.223 32.949 -9.145 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.974 34.044 -7.352 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.412 34.888 -7.891 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.461 33.706 -5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.873 33.562 -6.508 1.00 0.00 H new ATOM 762 N TRP A 96 -0.007 30.711 -6.862 1.00 0.00 N ATOM 763 CA TRP A 96 1.396 30.266 -6.831 1.00 0.00 C ATOM 764 C TRP A 96 1.599 28.742 -6.872 1.00 0.00 C ATOM 765 O TRP A 96 2.696 28.297 -7.218 1.00 0.00 O ATOM 766 CB TRP A 96 2.062 30.825 -5.567 1.00 0.00 C ATOM 767 CG TRP A 96 1.652 30.131 -4.302 1.00 0.00 C ATOM 768 CD1 TRP A 96 0.490 30.321 -3.640 1.00 0.00 C ATOM 769 CD2 TRP A 96 2.347 29.066 -3.585 1.00 0.00 C ATOM 770 NE1 TRP A 96 0.422 29.465 -2.559 1.00 0.00 N ATOM 771 CE2 TRP A 96 1.537 28.656 -2.483 1.00 0.00 C ATOM 772 CE3 TRP A 96 3.570 28.387 -3.773 1.00 0.00 C ATOM 773 CZ2 TRP A 96 1.924 27.633 -1.607 1.00 0.00 C ATOM 774 CZ3 TRP A 96 3.967 27.354 -2.902 1.00 0.00 C ATOM 775 CH2 TRP A 96 3.150 26.977 -1.819 1.00 0.00 C ATOM 0 H TRP A 96 -0.418 30.809 -5.934 1.00 0.00 H new ATOM 0 HA TRP A 96 1.851 30.648 -7.745 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.144 30.750 -5.676 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.823 31.885 -5.481 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -0.272 31.035 -3.915 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.355 29.434 -1.899 1.00 0.00 H new ATOM 0 HE3 TRP A 96 4.211 28.664 -4.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.289 27.352 -0.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.906 26.847 -3.066 1.00 0.00 H new ATOM 0 HH2 TRP A 96 3.464 26.187 -1.153 1.00 0.00 H new ATOM 786 N LEU A 97 0.601 27.944 -6.462 1.00 0.00 N ATOM 787 CA LEU A 97 0.853 26.570 -6.025 1.00 0.00 C ATOM 788 C LEU A 97 1.357 25.657 -7.160 1.00 0.00 C ATOM 789 O LEU A 97 0.828 25.684 -8.275 1.00 0.00 O ATOM 790 CB LEU A 97 -0.419 25.996 -5.374 1.00 0.00 C ATOM 791 CG LEU A 97 -0.212 24.621 -4.707 1.00 0.00 C ATOM 792 CD1 LEU A 97 0.728 24.673 -3.504 1.00 0.00 C ATOM 793 CD2 LEU A 97 -1.556 24.105 -4.230 1.00 0.00 C ATOM 0 H LEU A 97 -0.378 28.227 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 97 1.658 26.602 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.783 26.701 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.196 25.908 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 97 0.240 23.968 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.832 23.674 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.706 25.036 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.318 25.346 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.425 23.132 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.980 24.805 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.230 24.006 -5.081 1.00 0.00 H new ATOM 805 N ARG A 98 2.323 24.780 -6.859 1.00 0.00 N ATOM 806 CA ARG A 98 2.802 23.729 -7.774 1.00 0.00 C ATOM 807 C ARG A 98 2.043 22.410 -7.567 1.00 0.00 C ATOM 808 O ARG A 98 1.774 22.020 -6.429 1.00 0.00 O ATOM 809 CB ARG A 98 4.321 23.532 -7.635 1.00 0.00 C ATOM 810 CG ARG A 98 5.115 24.840 -7.815 1.00 0.00 C ATOM 811 CD ARG A 98 6.622 24.573 -7.805 1.00 0.00 C ATOM 812 NE ARG A 98 7.387 25.834 -7.900 1.00 0.00 N ATOM 813 CZ ARG A 98 8.695 25.973 -7.775 1.00 0.00 C ATOM 814 NH1 ARG A 98 9.486 24.955 -7.585 1.00 0.00 N ATOM 815 NH2 ARG A 98 9.243 27.153 -7.841 1.00 0.00 N ATOM 0 H ARG A 98 2.803 24.778 -5.959 1.00 0.00 H new ATOM 0 HA ARG A 98 2.599 24.059 -8.793 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.539 23.113 -6.653 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.657 22.805 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.832 25.315 -8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.860 25.537 -7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.895 24.047 -6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.884 23.921 -8.638 1.00 0.00 H new ATOM 0 HE ARG A 98 6.851 26.683 -8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.100 24.013 -7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.491 25.101 -7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.662 27.978 -7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.253 27.252 -7.744 1.00 0.00 H new ATOM 829 N LEU A 99 1.696 21.727 -8.657 1.00 0.00 N ATOM 830 CA LEU A 99 1.063 20.404 -8.646 1.00 0.00 C ATOM 831 C LEU A 99 2.172 19.338 -8.523 1.00 0.00 C ATOM 832 O LEU A 99 3.001 19.199 -9.424 1.00 0.00 O ATOM 833 CB LEU A 99 0.205 20.257 -9.923 1.00 0.00 C ATOM 834 CG LEU A 99 -0.775 19.062 -10.006 1.00 0.00 C ATOM 835 CD1 LEU A 99 -1.484 19.118 -11.357 1.00 0.00 C ATOM 836 CD2 LEU A 99 -0.039 17.722 -9.969 1.00 0.00 C ATOM 0 H LEU A 99 1.851 22.086 -9.599 1.00 0.00 H new ATOM 0 HA LEU A 99 0.393 20.273 -7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.374 21.173 -10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.882 20.193 -10.775 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.457 19.133 -9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.181 18.284 -11.437 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.031 20.057 -11.442 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.747 19.054 -12.158 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.762 16.908 -10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.648 17.661 -10.813 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.522 17.641 -9.038 1.00 0.00 H new ATOM 848 N ASP A 100 2.166 18.566 -7.431 1.00 0.00 N ATOM 849 CA ASP A 100 3.069 17.424 -7.233 1.00 0.00 C ATOM 850 C ASP A 100 2.275 16.136 -6.966 1.00 0.00 C ATOM 851 O ASP A 100 1.647 15.980 -5.919 1.00 0.00 O ATOM 852 CB ASP A 100 4.064 17.695 -6.093 1.00 0.00 C ATOM 853 CG ASP A 100 5.055 18.819 -6.437 1.00 0.00 C ATOM 854 OD1 ASP A 100 6.004 18.563 -7.221 1.00 0.00 O ATOM 855 OD2 ASP A 100 4.920 19.945 -5.901 1.00 0.00 O ATOM 0 H ASP A 100 1.527 18.717 -6.650 1.00 0.00 H new ATOM 0 HA ASP A 100 3.639 17.288 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.515 17.962 -5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.617 16.782 -5.872 1.00 0.00 H new ATOM 860 N MET A 101 2.330 15.192 -7.912 1.00 0.00 N ATOM 861 CA MET A 101 1.911 13.804 -7.698 1.00 0.00 C ATOM 862 C MET A 101 2.657 12.817 -8.611 1.00 0.00 C ATOM 863 O MET A 101 2.924 13.079 -9.784 1.00 0.00 O ATOM 864 CB MET A 101 0.387 13.599 -7.806 1.00 0.00 C ATOM 865 CG MET A 101 -0.386 14.539 -8.734 1.00 0.00 C ATOM 866 SD MET A 101 -2.032 13.887 -9.098 1.00 0.00 S ATOM 867 CE MET A 101 -2.563 14.968 -10.444 1.00 0.00 C ATOM 0 H MET A 101 2.670 15.373 -8.857 1.00 0.00 H new ATOM 0 HA MET A 101 2.188 13.585 -6.667 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.207 12.576 -8.137 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.037 13.689 -6.806 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.475 15.521 -8.270 1.00 0.00 H new ATOM 0 HG3 MET A 101 0.168 14.675 -9.663 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.405 14.513 -10.966 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.867 15.933 -10.038 1.00 0.00 H new ATOM 0 HE3 MET A 101 -1.738 15.112 -11.142 1.00 0.00 H new ATOM 877 N SER A 102 2.960 11.665 -8.018 1.00 0.00 N ATOM 878 CA SER A 102 3.537 10.451 -8.602 1.00 0.00 C ATOM 879 C SER A 102 3.172 9.284 -7.676 1.00 0.00 C ATOM 880 O SER A 102 2.712 9.516 -6.553 1.00 0.00 O ATOM 881 CB SER A 102 5.060 10.618 -8.722 1.00 0.00 C ATOM 882 OG SER A 102 5.648 9.488 -9.352 1.00 0.00 O ATOM 0 H SER A 102 2.792 11.544 -7.019 1.00 0.00 H new ATOM 0 HA SER A 102 3.148 10.260 -9.602 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.287 11.517 -9.295 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.494 10.753 -7.731 1.00 0.00 H new ATOM 0 HG SER A 102 6.617 9.618 -9.419 1.00 0.00 H new ATOM 888 N ASP A 103 3.406 8.036 -8.080 1.00 0.00 N ATOM 889 CA ASP A 103 3.087 6.838 -7.286 1.00 0.00 C ATOM 890 C ASP A 103 3.613 6.928 -5.843 1.00 0.00 C ATOM 891 O ASP A 103 2.889 6.618 -4.899 1.00 0.00 O ATOM 892 CB ASP A 103 3.669 5.602 -7.986 1.00 0.00 C ATOM 893 CG ASP A 103 2.957 5.312 -9.317 1.00 0.00 C ATOM 894 OD1 ASP A 103 1.835 4.754 -9.293 1.00 0.00 O ATOM 895 OD2 ASP A 103 3.517 5.634 -10.392 1.00 0.00 O ATOM 0 H ASP A 103 3.829 7.820 -8.982 1.00 0.00 H new ATOM 0 HA ASP A 103 2.002 6.760 -7.220 1.00 0.00 H new ATOM 0 HB2 ASP A 103 4.733 5.755 -8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.579 4.736 -7.330 1.00 0.00 H new ATOM 900 N LYS A 104 4.821 7.482 -5.653 1.00 0.00 N ATOM 901 CA LYS A 104 5.418 7.731 -4.327 1.00 0.00 C ATOM 902 C LYS A 104 4.575 8.700 -3.487 1.00 0.00 C ATOM 903 O LYS A 104 4.311 8.421 -2.323 1.00 0.00 O ATOM 904 CB LYS A 104 6.867 8.248 -4.477 1.00 0.00 C ATOM 905 CG LYS A 104 7.915 7.165 -4.793 1.00 0.00 C ATOM 906 CD LYS A 104 7.774 6.507 -6.176 1.00 0.00 C ATOM 907 CE LYS A 104 9.010 5.681 -6.568 1.00 0.00 C ATOM 908 NZ LYS A 104 9.190 4.463 -5.726 1.00 0.00 N ATOM 0 H LYS A 104 5.420 7.774 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 104 5.438 6.781 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.890 8.996 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.154 8.752 -3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.908 7.609 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.854 6.389 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.895 5.862 -6.179 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.605 7.280 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.925 5.384 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.899 6.307 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.038 3.948 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.301 4.742 -4.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.357 3.848 -5.822 1.00 0.00 H new ATOM 922 N ALA A 105 4.087 9.796 -4.078 1.00 0.00 N ATOM 923 CA ALA A 105 3.207 10.761 -3.403 1.00 0.00 C ATOM 924 C ALA A 105 1.859 10.137 -3.014 1.00 0.00 C ATOM 925 O ALA A 105 1.377 10.357 -1.904 1.00 0.00 O ATOM 926 CB ALA A 105 3.042 12.008 -4.287 1.00 0.00 C ATOM 0 H ALA A 105 4.292 10.042 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 105 3.672 11.064 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.390 12.724 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.017 12.464 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.602 11.721 -5.242 1.00 0.00 H new ATOM 932 N ILE A 106 1.287 9.293 -3.881 1.00 0.00 N ATOM 933 CA ILE A 106 0.004 8.620 -3.592 1.00 0.00 C ATOM 934 C ILE A 106 0.194 7.590 -2.479 1.00 0.00 C ATOM 935 O ILE A 106 -0.561 7.596 -1.511 1.00 0.00 O ATOM 936 CB ILE A 106 -0.630 8.035 -4.882 1.00 0.00 C ATOM 937 CG1 ILE A 106 -1.343 9.138 -5.699 1.00 0.00 C ATOM 938 CG2 ILE A 106 -1.674 6.939 -4.583 1.00 0.00 C ATOM 939 CD1 ILE A 106 -0.408 10.185 -6.302 1.00 0.00 C ATOM 0 H ILE A 106 1.688 9.057 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.715 9.352 -3.225 1.00 0.00 H new ATOM 0 HB ILE A 106 0.197 7.604 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.909 8.668 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.064 9.641 -5.054 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.086 6.564 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.198 6.121 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.476 7.357 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.993 10.918 -6.857 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.140 10.686 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.297 9.698 -6.976 1.00 0.00 H new ATOM 951 N PHE A 107 1.235 6.763 -2.556 1.00 0.00 N ATOM 952 CA PHE A 107 1.502 5.732 -1.542 1.00 0.00 C ATOM 953 C PHE A 107 1.989 6.310 -0.197 1.00 0.00 C ATOM 954 O PHE A 107 1.855 5.645 0.834 1.00 0.00 O ATOM 955 CB PHE A 107 2.490 4.688 -2.088 1.00 0.00 C ATOM 956 CG PHE A 107 2.127 4.005 -3.396 1.00 0.00 C ATOM 957 CD1 PHE A 107 0.785 3.846 -3.789 1.00 0.00 C ATOM 958 CD2 PHE A 107 3.150 3.477 -4.208 1.00 0.00 C ATOM 959 CE1 PHE A 107 0.468 3.200 -4.993 1.00 0.00 C ATOM 960 CE2 PHE A 107 2.833 2.817 -5.410 1.00 0.00 C ATOM 961 CZ PHE A 107 1.491 2.685 -5.807 1.00 0.00 C ATOM 0 H PHE A 107 1.916 6.784 -3.315 1.00 0.00 H new ATOM 0 HA PHE A 107 0.550 5.246 -1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.457 5.174 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.620 3.917 -1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.006 4.224 -3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 107 4.182 3.579 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.564 3.098 -5.295 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.621 2.412 -6.027 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.247 2.189 -6.735 1.00 0.00 H new ATOM 971 N ARG A 108 2.531 7.538 -0.181 1.00 0.00 N ATOM 972 CA ARG A 108 2.894 8.284 1.039 1.00 0.00 C ATOM 973 C ARG A 108 1.686 8.955 1.706 1.00 0.00 C ATOM 974 O ARG A 108 1.546 8.855 2.925 1.00 0.00 O ATOM 975 CB ARG A 108 4.020 9.277 0.700 1.00 0.00 C ATOM 976 CG ARG A 108 4.570 10.005 1.938 1.00 0.00 C ATOM 977 CD ARG A 108 5.842 10.798 1.615 1.00 0.00 C ATOM 978 NE ARG A 108 5.584 11.895 0.655 1.00 0.00 N ATOM 979 CZ ARG A 108 6.353 12.285 -0.347 1.00 0.00 C ATOM 980 NH1 ARG A 108 7.476 11.693 -0.636 1.00 0.00 N ATOM 981 NH2 ARG A 108 6.000 13.294 -1.091 1.00 0.00 N ATOM 0 H ARG A 108 2.735 8.054 -1.037 1.00 0.00 H new ATOM 0 HA ARG A 108 3.262 7.581 1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 108 4.833 8.743 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 108 3.646 10.013 -0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 108 3.810 10.681 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 108 4.784 9.278 2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 108 6.255 11.211 2.535 1.00 0.00 H new ATOM 0 HD3 ARG A 108 6.594 10.125 1.203 1.00 0.00 H new ATOM 0 HE ARG A 108 4.712 12.409 0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 108 7.791 10.897 -0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 108 8.041 12.025 -1.418 1.00 0.00 H new ATOM 0 HH21 ARG A 108 5.127 13.787 -0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 108 6.596 13.592 -1.863 1.00 0.00 H new ATOM 995 N ARG A 109 0.784 9.580 0.928 1.00 0.00 N ATOM 996 CA ARG A 109 -0.488 10.129 1.454 1.00 0.00 C ATOM 997 C ARG A 109 -1.446 9.028 1.921 1.00 0.00 C ATOM 998 O ARG A 109 -2.082 9.164 2.966 1.00 0.00 O ATOM 999 CB ARG A 109 -1.204 10.976 0.388 1.00 0.00 C ATOM 1000 CG ARG A 109 -0.620 12.385 0.208 1.00 0.00 C ATOM 1001 CD ARG A 109 -1.566 13.193 -0.689 1.00 0.00 C ATOM 1002 NE ARG A 109 -1.118 14.590 -0.862 1.00 0.00 N ATOM 1003 CZ ARG A 109 -1.883 15.667 -0.938 1.00 0.00 C ATOM 1004 NH1 ARG A 109 -3.174 15.630 -0.782 1.00 0.00 N ATOM 1005 NH2 ARG A 109 -1.372 16.832 -1.190 1.00 0.00 N ATOM 0 H ARG A 109 0.910 9.720 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.221 10.749 2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.160 10.452 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -2.257 11.063 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.506 12.874 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.372 12.329 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -1.636 12.713 -1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.567 13.186 -0.257 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.111 14.740 -0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.639 14.743 -0.592 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -3.721 16.488 -0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -0.367 16.928 -1.333 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -1.975 17.652 -1.245 1.00 0.00 H new ATOM 1019 N TYR A 110 -1.543 7.956 1.135 1.00 0.00 N ATOM 1020 CA TYR A 110 -2.575 6.923 1.235 1.00 0.00 C ATOM 1021 C TYR A 110 -1.918 5.527 1.309 1.00 0.00 C ATOM 1022 O TYR A 110 -1.738 4.858 0.286 1.00 0.00 O ATOM 1023 CB TYR A 110 -3.538 7.096 0.045 1.00 0.00 C ATOM 1024 CG TYR A 110 -4.031 8.513 -0.192 1.00 0.00 C ATOM 1025 CD1 TYR A 110 -4.833 9.158 0.769 1.00 0.00 C ATOM 1026 CD2 TYR A 110 -3.686 9.190 -1.378 1.00 0.00 C ATOM 1027 CE1 TYR A 110 -5.310 10.462 0.533 1.00 0.00 C ATOM 1028 CE2 TYR A 110 -4.166 10.492 -1.622 1.00 0.00 C ATOM 1029 CZ TYR A 110 -4.987 11.131 -0.666 1.00 0.00 C ATOM 1030 OH TYR A 110 -5.458 12.388 -0.893 1.00 0.00 O ATOM 0 H TYR A 110 -0.879 7.776 0.382 1.00 0.00 H new ATOM 0 HA TYR A 110 -3.158 7.022 2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.038 6.747 -0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -4.402 6.450 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -5.083 8.651 1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -3.049 8.708 -2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -5.926 10.952 1.273 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.907 11.001 -2.539 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.141 12.704 -1.765 1.00 0.00 H new ATOM 1040 N PRO A 111 -1.510 5.071 2.512 1.00 0.00 N ATOM 1041 CA PRO A 111 -0.648 3.893 2.678 1.00 0.00 C ATOM 1042 C PRO A 111 -1.322 2.555 2.327 1.00 0.00 C ATOM 1043 O PRO A 111 -0.631 1.545 2.200 1.00 0.00 O ATOM 1044 CB PRO A 111 -0.186 3.939 4.140 1.00 0.00 C ATOM 1045 CG PRO A 111 -1.322 4.672 4.849 1.00 0.00 C ATOM 1046 CD PRO A 111 -1.747 5.702 3.806 1.00 0.00 C ATOM 0 HA PRO A 111 0.184 3.936 1.975 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -0.039 2.938 4.546 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.761 4.468 4.245 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -2.138 3.999 5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -0.987 5.143 5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -2.797 5.970 3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.170 6.621 3.905 1.00 0.00 H new ATOM 1054 N HIS A 112 -2.647 2.532 2.131 1.00 0.00 N ATOM 1055 CA HIS A 112 -3.401 1.346 1.707 1.00 0.00 C ATOM 1056 C HIS A 112 -3.384 1.093 0.183 1.00 0.00 C ATOM 1057 O HIS A 112 -3.861 0.041 -0.252 1.00 0.00 O ATOM 1058 CB HIS A 112 -4.825 1.442 2.270 1.00 0.00 C ATOM 1059 CG HIS A 112 -5.672 2.523 1.645 1.00 0.00 C ATOM 1060 ND1 HIS A 112 -5.446 3.900 1.753 1.00 0.00 N ATOM 1061 CD2 HIS A 112 -6.731 2.308 0.815 1.00 0.00 C ATOM 1062 CE1 HIS A 112 -6.390 4.476 0.991 1.00 0.00 C ATOM 1063 NE2 HIS A 112 -7.180 3.550 0.431 1.00 0.00 N ATOM 0 H HIS A 112 -3.236 3.354 2.266 1.00 0.00 H new ATOM 0 HA HIS A 112 -2.900 0.469 2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.323 0.482 2.132 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.767 1.619 3.344 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -7.137 1.352 0.518 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -6.498 5.541 0.849 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.978 3.735 -0.177 1.00 0.00 H new ATOM 1071 N LEU A 113 -2.840 2.014 -0.632 1.00 0.00 N ATOM 1072 CA LEU A 113 -2.760 1.846 -2.097 1.00 0.00 C ATOM 1073 C LEU A 113 -1.554 0.982 -2.532 1.00 0.00 C ATOM 1074 O LEU A 113 -1.681 0.208 -3.487 1.00 0.00 O ATOM 1075 CB LEU A 113 -2.757 3.218 -2.811 1.00 0.00 C ATOM 1076 CG LEU A 113 -4.120 3.913 -3.016 1.00 0.00 C ATOM 1077 CD1 LEU A 113 -5.069 3.149 -3.930 1.00 0.00 C ATOM 1078 CD2 LEU A 113 -4.858 4.116 -1.712 1.00 0.00 C ATOM 0 H LEU A 113 -2.445 2.893 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.654 1.303 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.117 3.893 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.294 3.088 -3.789 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.854 4.865 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.005 3.700 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.614 3.035 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.269 2.165 -3.506 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.811 4.608 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.038 3.149 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.258 4.737 -1.047 1.00 0.00 H new ATOM 1090 N ARG A 114 -0.412 1.079 -1.830 1.00 0.00 N ATOM 1091 CA ARG A 114 0.736 0.157 -1.970 1.00 0.00 C ATOM 1092 C ARG A 114 0.459 -1.244 -1.394 1.00 0.00 C ATOM 1093 O ARG A 114 0.930 -2.231 -2.006 1.00 0.00 O ATOM 1094 CB ARG A 114 2.031 0.764 -1.397 1.00 0.00 C ATOM 1095 CG ARG A 114 1.909 1.368 0.014 1.00 0.00 C ATOM 1096 CD ARG A 114 3.260 1.892 0.525 1.00 0.00 C ATOM 1097 NE ARG A 114 3.082 3.071 1.399 1.00 0.00 N ATOM 1098 CZ ARG A 114 3.647 3.327 2.562 1.00 0.00 C ATOM 1099 NH1 ARG A 114 4.439 2.489 3.163 1.00 0.00 N ATOM 1100 NH2 ARG A 114 3.411 4.470 3.136 1.00 0.00 N ATOM 1101 OXT ARG A 114 -0.217 -1.364 -0.345 1.00 0.00 O ATOM 0 H ARG A 114 -0.255 1.811 -1.137 1.00 0.00 H new ATOM 0 HA ARG A 114 0.883 0.020 -3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.798 -0.011 -1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.380 1.541 -2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.184 2.182 0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 114 1.527 0.613 0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.774 1.103 1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.894 2.156 -0.321 1.00 0.00 H new ATOM 0 HE ARG A 114 2.435 3.781 1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.647 1.587 2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 114 4.852 2.734 4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.798 5.150 2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.839 4.687 4.036 1.00 0.00 H new TER 1115 ARG A 114