USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 541 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 57 THR OG1 : rot 54:sc= -0.0308! USER MOD Set 1.2: A 60 ASN : amide:sc= -7.77! C(o=-7.8!,f=-7.6!) USER MOD Set 2.1: A 29 LYS NZ :NH3+ -146:sc= -0.0893 (180deg=-0.479) USER MOD Set 2.2: A 54 ASN : amide:sc= -1.66 K(o=-1.8,f=-5.4!) USER MOD Set 3.1: A 21 SER OG : rot -149:sc= 0.809 USER MOD Set 3.2: A 59 GLN : amide:sc= -0.467 K(o=0.34,f=-2.5!) USER MOD Single : A 3 MET CE :methyl -147:sc= -0.518 (180deg=-2.63!) USER MOD Single : A 23 THR OG1 : rot -68:sc= -4.85 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0937 USER MOD Single : A 27 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.07) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.47 K(o=-1.5,f=-5!) USER MOD Single : A 42 GLN : amide:sc= -0.0234 K(o=-0.023,f=-0.62) USER MOD Single : A 50 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.456) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -2.02 F(o=-2.8!,f=-2) USER MOD Single : A 61 CYS SG : rot -26:sc= -4.02! USER MOD Single : A 65 GLN : amide:sc= -2.43! C(o=-2.4!,f=-2.2!) USER MOD Single : A 66 GLN : amide:sc= -0.676 X(o=-0.68,f=-0.71) USER MOD Single : A 67 SER OG : rot -170:sc= -0.082 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0.0357 K(o=0.036,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 27 N MET A 3 7.233 -11.163 25.010 1.00 0.00 N ATOM 28 CA MET A 3 6.058 -11.235 25.915 1.00 0.00 C ATOM 29 C MET A 3 4.800 -10.790 25.154 1.00 0.00 C ATOM 30 O MET A 3 4.872 -10.227 24.073 1.00 0.00 O ATOM 31 CB MET A 3 6.313 -10.355 27.145 1.00 0.00 C ATOM 32 CG MET A 3 5.029 -9.652 27.583 1.00 0.00 C ATOM 33 SD MET A 3 5.342 -8.770 29.133 1.00 0.00 S ATOM 34 CE MET A 3 5.846 -10.205 30.114 1.00 0.00 C ATOM 0 HA MET A 3 5.902 -12.259 26.255 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.696 -10.966 27.962 1.00 0.00 H new ATOM 0 HB3 MET A 3 7.079 -9.614 26.916 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.699 -8.955 26.813 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.228 -10.379 27.718 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.535 -10.065 31.149 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.377 -11.103 29.712 1.00 0.00 H new ATOM 0 HE3 MET A 3 6.930 -10.312 30.072 1.00 0.00 H new ATOM 44 N ILE A 4 3.649 -11.091 25.686 1.00 0.00 N ATOM 45 CA ILE A 4 2.376 -10.741 24.994 1.00 0.00 C ATOM 46 C ILE A 4 2.085 -9.238 25.061 1.00 0.00 C ATOM 47 O ILE A 4 2.307 -8.589 26.063 1.00 0.00 O ATOM 48 CB ILE A 4 1.225 -11.456 25.691 1.00 0.00 C ATOM 49 CG1 ILE A 4 0.678 -12.559 24.784 1.00 0.00 C ATOM 50 CG2 ILE A 4 0.122 -10.436 25.976 1.00 0.00 C ATOM 51 CD1 ILE A 4 1.186 -13.912 25.269 1.00 0.00 C ATOM 0 H ILE A 4 3.534 -11.569 26.580 1.00 0.00 H new ATOM 0 HA ILE A 4 2.475 -11.040 23.951 1.00 0.00 H new ATOM 0 HB ILE A 4 1.574 -11.903 26.622 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.412 -12.544 24.791 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.993 -12.388 23.755 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.711 -10.931 26.475 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.513 -9.647 26.618 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.224 -10.002 25.038 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.797 -14.699 24.623 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.276 -13.924 25.239 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.849 -14.082 26.292 1.00 0.00 H new ATOM 63 N VAL A 5 1.516 -8.707 24.012 1.00 0.00 N ATOM 64 CA VAL A 5 1.112 -7.281 24.003 1.00 0.00 C ATOM 65 C VAL A 5 -0.401 -7.280 24.196 1.00 0.00 C ATOM 66 O VAL A 5 -1.038 -8.302 24.032 1.00 0.00 O ATOM 67 CB VAL A 5 1.456 -6.638 22.657 1.00 0.00 C ATOM 68 CG1 VAL A 5 1.939 -5.204 22.879 1.00 0.00 C ATOM 69 CG2 VAL A 5 2.558 -7.443 21.966 1.00 0.00 C ATOM 0 H VAL A 5 1.313 -9.213 23.150 1.00 0.00 H new ATOM 0 HA VAL A 5 1.627 -6.717 24.781 1.00 0.00 H new ATOM 0 HB VAL A 5 0.565 -6.629 22.029 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.183 -4.749 21.919 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.153 -4.626 23.365 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.826 -5.213 23.512 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.800 -6.982 21.008 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.447 -7.458 22.596 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.214 -8.464 21.800 1.00 0.00 H new ATOM 79 N PHE A 6 -1.001 -6.183 24.543 1.00 0.00 N ATOM 80 CA PHE A 6 -2.471 -6.215 24.730 1.00 0.00 C ATOM 81 C PHE A 6 -3.156 -5.613 23.511 1.00 0.00 C ATOM 82 O PHE A 6 -3.204 -4.415 23.353 1.00 0.00 O ATOM 83 CB PHE A 6 -2.838 -5.407 25.964 1.00 0.00 C ATOM 84 CG PHE A 6 -4.221 -5.801 26.410 1.00 0.00 C ATOM 85 CD1 PHE A 6 -4.551 -7.155 26.544 1.00 0.00 C ATOM 86 CD2 PHE A 6 -5.173 -4.814 26.688 1.00 0.00 C ATOM 87 CE1 PHE A 6 -5.837 -7.521 26.958 1.00 0.00 C ATOM 88 CE2 PHE A 6 -6.459 -5.180 27.102 1.00 0.00 C ATOM 89 CZ PHE A 6 -6.791 -6.534 27.237 1.00 0.00 C ATOM 0 H PHE A 6 -0.549 -5.283 24.703 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.798 -7.247 24.855 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.118 -5.589 26.762 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -2.803 -4.341 25.741 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.815 -7.915 26.328 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.916 -3.770 26.583 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -6.094 -8.565 27.062 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.195 -4.419 27.317 1.00 0.00 H new ATOM 0 HZ PHE A 6 -7.783 -6.817 27.556 1.00 0.00 H new ATOM 99 N VAL A 7 -3.706 -6.428 22.655 1.00 0.00 N ATOM 100 CA VAL A 7 -4.397 -5.876 21.460 1.00 0.00 C ATOM 101 C VAL A 7 -5.863 -5.675 21.783 1.00 0.00 C ATOM 102 O VAL A 7 -6.601 -6.623 21.948 1.00 0.00 O ATOM 103 CB VAL A 7 -4.299 -6.857 20.289 1.00 0.00 C ATOM 104 CG1 VAL A 7 -5.415 -6.554 19.273 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.933 -6.708 19.614 1.00 0.00 C ATOM 0 H VAL A 7 -3.707 -7.445 22.731 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.925 -4.931 21.189 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.412 -7.877 20.656 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.347 -7.252 18.438 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.386 -6.661 19.757 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.304 -5.535 18.904 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.861 -7.406 18.780 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.819 -5.689 19.245 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.145 -6.923 20.336 1.00 0.00 H new ATOM 115 N ARG A 8 -6.319 -4.464 21.837 1.00 0.00 N ATOM 116 CA ARG A 8 -7.760 -4.282 22.105 1.00 0.00 C ATOM 117 C ARG A 8 -8.482 -4.461 20.772 1.00 0.00 C ATOM 118 O ARG A 8 -8.548 -3.558 19.963 1.00 0.00 O ATOM 119 CB ARG A 8 -8.030 -2.888 22.684 1.00 0.00 C ATOM 120 CG ARG A 8 -6.912 -2.500 23.663 1.00 0.00 C ATOM 121 CD ARG A 8 -7.129 -3.186 25.018 1.00 0.00 C ATOM 122 NE ARG A 8 -8.411 -2.721 25.619 1.00 0.00 N ATOM 123 CZ ARG A 8 -8.425 -1.673 26.396 1.00 0.00 C ATOM 124 NH1 ARG A 8 -8.049 -1.777 27.643 1.00 0.00 N ATOM 125 NH2 ARG A 8 -8.818 -0.520 25.927 1.00 0.00 N ATOM 0 H ARG A 8 -5.772 -3.612 21.711 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.114 -5.006 22.839 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.090 -2.156 21.879 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.992 -2.878 23.196 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.944 -2.788 23.253 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.894 -1.418 23.794 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.148 -4.268 24.889 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.299 -2.960 25.688 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.278 -3.222 25.423 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.744 -2.678 28.010 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.060 -0.957 28.249 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.114 -0.439 24.954 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.829 0.300 26.533 1.00 0.00 H new ATOM 139 N PHE A 9 -9.006 -5.635 20.539 1.00 0.00 N ATOM 140 CA PHE A 9 -9.700 -5.913 19.252 1.00 0.00 C ATOM 141 C PHE A 9 -10.995 -5.107 19.206 1.00 0.00 C ATOM 142 O PHE A 9 -12.008 -5.507 19.745 1.00 0.00 O ATOM 143 CB PHE A 9 -10.040 -7.403 19.189 1.00 0.00 C ATOM 144 CG PHE A 9 -9.159 -8.167 18.220 1.00 0.00 C ATOM 145 CD1 PHE A 9 -8.625 -7.589 17.043 1.00 0.00 C ATOM 146 CD2 PHE A 9 -8.885 -9.506 18.519 1.00 0.00 C ATOM 147 CE1 PHE A 9 -7.831 -8.373 16.202 1.00 0.00 C ATOM 148 CE2 PHE A 9 -8.092 -10.271 17.670 1.00 0.00 C ATOM 149 CZ PHE A 9 -7.569 -9.708 16.512 1.00 0.00 C ATOM 0 H PHE A 9 -8.982 -6.418 21.192 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.061 -5.639 18.413 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.939 -7.836 20.184 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.083 -7.521 18.895 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.828 -6.557 16.799 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.292 -9.949 19.416 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.416 -7.941 15.303 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.883 -11.303 17.911 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.959 -10.305 15.851 1.00 0.00 H new ATOM 223 N PHE A 15 -7.598 -9.372 22.601 1.00 0.00 N ATOM 224 CA PHE A 15 -6.901 -10.666 22.388 1.00 0.00 C ATOM 225 C PHE A 15 -5.393 -10.460 22.593 1.00 0.00 C ATOM 226 O PHE A 15 -4.822 -9.526 22.062 1.00 0.00 O ATOM 227 CB PHE A 15 -7.183 -11.154 20.965 1.00 0.00 C ATOM 228 CG PHE A 15 -5.985 -10.904 20.089 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.942 -11.835 20.063 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.918 -9.748 19.297 1.00 0.00 C ATOM 231 CE1 PHE A 15 -3.828 -11.614 19.248 1.00 0.00 C ATOM 232 CE2 PHE A 15 -4.800 -9.531 18.483 1.00 0.00 C ATOM 233 CZ PHE A 15 -3.757 -10.462 18.460 1.00 0.00 C ATOM 0 HA PHE A 15 -7.258 -11.412 23.098 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.420 -12.218 20.977 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.054 -10.638 20.561 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.997 -12.725 20.673 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.724 -9.030 19.315 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.023 -12.333 19.227 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.743 -8.643 17.871 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.895 -10.291 17.832 1.00 0.00 H new ATOM 243 N PRO A 16 -4.793 -11.328 23.374 1.00 0.00 N ATOM 244 CA PRO A 16 -3.355 -11.252 23.682 1.00 0.00 C ATOM 245 C PRO A 16 -2.523 -11.796 22.518 1.00 0.00 C ATOM 246 O PRO A 16 -2.722 -12.903 22.059 1.00 0.00 O ATOM 247 CB PRO A 16 -3.202 -12.137 24.921 1.00 0.00 C ATOM 248 CG PRO A 16 -4.411 -13.103 24.918 1.00 0.00 C ATOM 249 CD PRO A 16 -5.487 -12.462 24.018 1.00 0.00 C ATOM 0 HA PRO A 16 -3.010 -10.231 23.848 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.263 -12.690 24.890 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.188 -11.535 25.829 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.122 -14.083 24.538 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.790 -13.252 25.929 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.862 -13.171 23.279 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.344 -12.125 24.601 1.00 0.00 H new ATOM 257 N VAL A 17 -1.592 -11.021 22.044 1.00 0.00 N ATOM 258 CA VAL A 17 -0.737 -11.474 20.912 1.00 0.00 C ATOM 259 C VAL A 17 0.688 -11.682 21.411 1.00 0.00 C ATOM 260 O VAL A 17 1.146 -10.991 22.288 1.00 0.00 O ATOM 261 CB VAL A 17 -0.719 -10.389 19.842 1.00 0.00 C ATOM 262 CG1 VAL A 17 -0.113 -9.120 20.442 1.00 0.00 C ATOM 263 CG2 VAL A 17 0.133 -10.850 18.658 1.00 0.00 C ATOM 0 H VAL A 17 -1.384 -10.086 22.394 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.131 -12.405 20.504 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.734 -10.191 19.496 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.094 -8.334 19.687 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.716 -8.794 21.289 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.903 -9.326 20.778 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.145 -10.073 17.894 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.151 -11.042 18.996 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.289 -11.764 18.240 1.00 0.00 H new ATOM 273 N GLU A 18 1.405 -12.608 20.852 1.00 0.00 N ATOM 274 CA GLU A 18 2.805 -12.811 21.308 1.00 0.00 C ATOM 275 C GLU A 18 3.750 -12.174 20.291 1.00 0.00 C ATOM 276 O GLU A 18 3.865 -12.633 19.172 1.00 0.00 O ATOM 277 CB GLU A 18 3.095 -14.308 21.413 1.00 0.00 C ATOM 278 CG GLU A 18 4.417 -14.514 22.149 1.00 0.00 C ATOM 279 CD GLU A 18 4.360 -15.814 22.952 1.00 0.00 C ATOM 280 OE1 GLU A 18 3.643 -15.846 23.938 1.00 0.00 O ATOM 281 OE2 GLU A 18 5.039 -16.753 22.571 1.00 0.00 O ATOM 0 H GLU A 18 1.089 -13.229 20.107 1.00 0.00 H new ATOM 0 HA GLU A 18 2.949 -12.351 22.285 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.287 -14.810 21.945 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.146 -14.751 20.418 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.240 -14.551 21.435 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.610 -13.672 22.814 1.00 0.00 H new ATOM 288 N VAL A 19 4.429 -11.118 20.660 1.00 0.00 N ATOM 289 CA VAL A 19 5.357 -10.471 19.685 1.00 0.00 C ATOM 290 C VAL A 19 6.644 -10.063 20.393 1.00 0.00 C ATOM 291 O VAL A 19 6.688 -9.914 21.597 1.00 0.00 O ATOM 292 CB VAL A 19 4.727 -9.208 19.071 1.00 0.00 C ATOM 293 CG1 VAL A 19 3.200 -9.279 19.124 1.00 0.00 C ATOM 294 CG2 VAL A 19 5.204 -7.981 19.852 1.00 0.00 C ATOM 0 H VAL A 19 4.383 -10.681 21.580 1.00 0.00 H new ATOM 0 HA VAL A 19 5.562 -11.192 18.894 1.00 0.00 H new ATOM 0 HB VAL A 19 5.034 -9.136 18.028 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.778 -8.375 18.684 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.857 -10.149 18.564 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.875 -9.363 20.161 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.762 -7.082 19.423 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.900 -8.073 20.895 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.290 -7.913 19.795 1.00 0.00 H new ATOM 304 N ASP A 20 7.685 -9.860 19.643 1.00 0.00 N ATOM 305 CA ASP A 20 8.970 -9.435 20.248 1.00 0.00 C ATOM 306 C ASP A 20 9.092 -7.918 20.106 1.00 0.00 C ATOM 307 O ASP A 20 8.254 -7.276 19.508 1.00 0.00 O ATOM 308 CB ASP A 20 10.127 -10.122 19.520 1.00 0.00 C ATOM 309 CG ASP A 20 9.852 -10.131 18.015 1.00 0.00 C ATOM 310 OD1 ASP A 20 9.774 -9.058 17.440 1.00 0.00 O ATOM 311 OD2 ASP A 20 9.720 -11.212 17.463 1.00 0.00 O ATOM 0 H ASP A 20 7.700 -9.971 18.629 1.00 0.00 H new ATOM 0 HA ASP A 20 9.003 -9.712 21.302 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.061 -9.600 19.726 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.245 -11.142 19.885 1.00 0.00 H new ATOM 316 N SER A 21 10.123 -7.338 20.646 1.00 0.00 N ATOM 317 CA SER A 21 10.291 -5.859 20.538 1.00 0.00 C ATOM 318 C SER A 21 10.608 -5.464 19.089 1.00 0.00 C ATOM 319 O SER A 21 10.798 -4.304 18.779 1.00 0.00 O ATOM 320 CB SER A 21 11.448 -5.430 21.434 1.00 0.00 C ATOM 321 OG SER A 21 11.133 -5.730 22.788 1.00 0.00 O ATOM 0 H SER A 21 10.860 -7.822 21.159 1.00 0.00 H new ATOM 0 HA SER A 21 9.367 -5.369 20.846 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.362 -5.946 21.139 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.634 -4.362 21.320 1.00 0.00 H new ATOM 0 HG SER A 21 11.565 -5.077 23.377 1.00 0.00 H new ATOM 327 N ASP A 22 10.686 -6.419 18.206 1.00 0.00 N ATOM 328 CA ASP A 22 11.013 -6.108 16.785 1.00 0.00 C ATOM 329 C ASP A 22 9.756 -6.155 15.907 1.00 0.00 C ATOM 330 O ASP A 22 9.739 -5.606 14.823 1.00 0.00 O ATOM 331 CB ASP A 22 12.022 -7.136 16.269 1.00 0.00 C ATOM 332 CG ASP A 22 11.473 -7.801 15.005 1.00 0.00 C ATOM 333 OD1 ASP A 22 10.763 -8.784 15.138 1.00 0.00 O ATOM 334 OD2 ASP A 22 11.773 -7.317 13.927 1.00 0.00 O ATOM 0 H ASP A 22 10.537 -7.408 18.408 1.00 0.00 H new ATOM 0 HA ASP A 22 11.432 -5.103 16.737 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.974 -6.650 16.053 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.214 -7.888 17.034 1.00 0.00 H new ATOM 339 N THR A 23 8.702 -6.801 16.344 1.00 0.00 N ATOM 340 CA THR A 23 7.475 -6.854 15.495 1.00 0.00 C ATOM 341 C THR A 23 7.188 -5.462 14.943 1.00 0.00 C ATOM 342 O THR A 23 7.062 -4.504 15.678 1.00 0.00 O ATOM 343 CB THR A 23 6.284 -7.346 16.324 1.00 0.00 C ATOM 344 OG1 THR A 23 6.744 -7.790 17.589 1.00 0.00 O ATOM 345 CG2 THR A 23 5.605 -8.504 15.596 1.00 0.00 C ATOM 0 H THR A 23 8.639 -7.287 17.239 1.00 0.00 H new ATOM 0 HA THR A 23 7.634 -7.547 14.669 1.00 0.00 H new ATOM 0 HB THR A 23 5.571 -6.532 16.460 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.280 -8.603 17.475 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.757 -8.856 16.184 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.255 -8.166 14.621 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.318 -9.318 15.463 1.00 0.00 H new ATOM 353 N SER A 24 7.093 -5.340 13.649 1.00 0.00 N ATOM 354 CA SER A 24 6.817 -4.009 13.051 1.00 0.00 C ATOM 355 C SER A 24 5.467 -3.517 13.573 1.00 0.00 C ATOM 356 O SER A 24 5.123 -3.726 14.717 1.00 0.00 O ATOM 357 CB SER A 24 6.777 -4.130 11.523 1.00 0.00 C ATOM 358 OG SER A 24 7.565 -5.244 11.120 1.00 0.00 O ATOM 0 H SER A 24 7.195 -6.105 12.982 1.00 0.00 H new ATOM 0 HA SER A 24 7.600 -3.302 13.324 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.749 -4.255 11.183 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.156 -3.217 11.064 1.00 0.00 H new ATOM 0 HG SER A 24 7.541 -5.326 10.144 1.00 0.00 H new ATOM 364 N ILE A 25 4.698 -2.870 12.754 1.00 0.00 N ATOM 365 CA ILE A 25 3.381 -2.374 13.222 1.00 0.00 C ATOM 366 C ILE A 25 2.301 -2.793 12.234 1.00 0.00 C ATOM 367 O ILE A 25 1.196 -3.085 12.623 1.00 0.00 O ATOM 368 CB ILE A 25 3.440 -0.858 13.334 1.00 0.00 C ATOM 369 CG1 ILE A 25 4.418 -0.485 14.446 1.00 0.00 C ATOM 370 CG2 ILE A 25 2.053 -0.293 13.643 1.00 0.00 C ATOM 371 CD1 ILE A 25 4.058 -1.241 15.729 1.00 0.00 C ATOM 0 H ILE A 25 4.923 -2.662 11.781 1.00 0.00 H new ATOM 0 HA ILE A 25 3.143 -2.798 14.198 1.00 0.00 H new ATOM 0 HB ILE A 25 3.777 -0.435 12.388 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.437 -0.728 14.144 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.386 0.590 14.625 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.111 0.793 13.720 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.364 -0.563 12.843 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.694 -0.705 14.586 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.759 -0.971 16.519 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.046 -0.976 16.036 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.113 -2.314 15.546 1.00 0.00 H new ATOM 383 N LEU A 26 2.616 -2.907 10.969 1.00 0.00 N ATOM 384 CA LEU A 26 1.595 -3.400 10.028 1.00 0.00 C ATOM 385 C LEU A 26 1.669 -4.894 10.205 1.00 0.00 C ATOM 386 O LEU A 26 0.688 -5.596 10.214 1.00 0.00 O ATOM 387 CB LEU A 26 1.916 -2.985 8.598 1.00 0.00 C ATOM 388 CG LEU A 26 1.135 -3.864 7.628 1.00 0.00 C ATOM 389 CD1 LEU A 26 1.871 -5.191 7.485 1.00 0.00 C ATOM 390 CD2 LEU A 26 -0.293 -4.099 8.155 1.00 0.00 C ATOM 0 H LEU A 26 3.524 -2.681 10.562 1.00 0.00 H new ATOM 0 HA LEU A 26 0.600 -2.998 10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.658 -1.937 8.445 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.986 -3.080 8.412 1.00 0.00 H new ATOM 0 HG LEU A 26 1.060 -3.374 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.328 -5.836 6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.875 -5.011 7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.938 -5.677 8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.841 -4.728 7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.246 -4.593 9.125 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.804 -3.142 8.260 1.00 0.00 H new ATOM 402 N GLN A 27 2.866 -5.355 10.442 1.00 0.00 N ATOM 403 CA GLN A 27 3.084 -6.780 10.734 1.00 0.00 C ATOM 404 C GLN A 27 2.263 -7.047 11.984 1.00 0.00 C ATOM 405 O GLN A 27 1.677 -8.094 12.171 1.00 0.00 O ATOM 406 CB GLN A 27 4.574 -6.968 11.017 1.00 0.00 C ATOM 407 CG GLN A 27 5.182 -7.881 9.950 1.00 0.00 C ATOM 408 CD GLN A 27 5.907 -9.047 10.627 1.00 0.00 C ATOM 409 OE1 GLN A 27 7.028 -9.362 10.283 1.00 0.00 O ATOM 410 NE2 GLN A 27 5.309 -9.706 11.582 1.00 0.00 N ATOM 0 H GLN A 27 3.712 -4.785 10.443 1.00 0.00 H new ATOM 0 HA GLN A 27 2.797 -7.451 9.924 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.080 -6.003 11.017 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.716 -7.402 12.007 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.400 -8.259 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.878 -7.318 9.328 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.367 -9.442 11.872 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.783 -10.485 12.039 1.00 0.00 H new ATOM 419 N LEU A 28 2.185 -6.041 12.814 1.00 0.00 N ATOM 420 CA LEU A 28 1.367 -6.121 14.047 1.00 0.00 C ATOM 421 C LEU A 28 -0.098 -6.157 13.616 1.00 0.00 C ATOM 422 O LEU A 28 -0.914 -6.853 14.188 1.00 0.00 O ATOM 423 CB LEU A 28 1.644 -4.857 14.877 1.00 0.00 C ATOM 424 CG LEU A 28 1.119 -5.028 16.293 1.00 0.00 C ATOM 425 CD1 LEU A 28 -0.383 -5.264 16.237 1.00 0.00 C ATOM 426 CD2 LEU A 28 1.822 -6.221 16.935 1.00 0.00 C ATOM 0 H LEU A 28 2.666 -5.151 12.681 1.00 0.00 H new ATOM 0 HA LEU A 28 1.602 -7.004 14.642 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.715 -4.657 14.901 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.170 -3.995 14.408 1.00 0.00 H new ATOM 0 HG LEU A 28 1.315 -4.135 16.887 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.770 -5.388 17.248 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.868 -4.410 15.765 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.589 -6.164 15.657 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.455 -6.355 17.952 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.617 -7.120 16.354 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.897 -6.041 16.958 1.00 0.00 H new ATOM 438 N LYS A 29 -0.426 -5.408 12.600 1.00 0.00 N ATOM 439 CA LYS A 29 -1.825 -5.380 12.097 1.00 0.00 C ATOM 440 C LYS A 29 -2.120 -6.696 11.382 1.00 0.00 C ATOM 441 O LYS A 29 -3.258 -7.066 11.194 1.00 0.00 O ATOM 442 CB LYS A 29 -1.991 -4.225 11.101 1.00 0.00 C ATOM 443 CG LYS A 29 -2.247 -2.910 11.847 1.00 0.00 C ATOM 444 CD LYS A 29 -1.220 -1.859 11.416 1.00 0.00 C ATOM 445 CE LYS A 29 -1.330 -0.609 12.292 1.00 0.00 C ATOM 446 NZ LYS A 29 -0.660 0.537 11.612 1.00 0.00 N ATOM 0 H LYS A 29 0.224 -4.808 12.092 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.511 -5.243 12.933 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.095 -4.134 10.487 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.820 -4.435 10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.255 -2.553 11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.184 -3.074 12.923 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.215 -2.274 11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.380 -1.593 10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.378 -0.373 12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.868 -0.790 13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.223 1.156 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.074 0.178 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.363 1.077 11.068 1.00 0.00 H new ATOM 460 N GLU A 30 -1.097 -7.398 10.968 1.00 0.00 N ATOM 461 CA GLU A 30 -1.314 -8.681 10.251 1.00 0.00 C ATOM 462 C GLU A 30 -1.701 -9.766 11.249 1.00 0.00 C ATOM 463 O GLU A 30 -2.678 -10.453 11.061 1.00 0.00 O ATOM 464 CB GLU A 30 -0.028 -9.083 9.525 1.00 0.00 C ATOM 465 CG GLU A 30 0.136 -8.226 8.268 1.00 0.00 C ATOM 466 CD GLU A 30 -0.576 -8.899 7.092 1.00 0.00 C ATOM 467 OE1 GLU A 30 -1.608 -9.509 7.320 1.00 0.00 O ATOM 468 OE2 GLU A 30 -0.079 -8.791 5.983 1.00 0.00 O ATOM 0 H GLU A 30 -0.120 -7.134 11.098 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.117 -8.559 9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.831 -8.951 10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.064 -10.139 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.278 -7.232 8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.194 -8.096 8.040 1.00 0.00 H new ATOM 475 N VAL A 31 -0.949 -9.910 12.313 1.00 0.00 N ATOM 476 CA VAL A 31 -1.274 -10.946 13.341 1.00 0.00 C ATOM 477 C VAL A 31 -2.616 -10.603 13.975 1.00 0.00 C ATOM 478 O VAL A 31 -3.499 -11.433 14.078 1.00 0.00 O ATOM 479 CB VAL A 31 -0.182 -10.941 14.413 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.769 -11.410 15.745 1.00 0.00 C ATOM 481 CG2 VAL A 31 0.943 -11.889 13.993 1.00 0.00 C ATOM 0 H VAL A 31 -0.120 -9.351 12.514 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.328 -11.933 12.881 1.00 0.00 H new ATOM 0 HB VAL A 31 0.212 -9.931 14.526 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.010 -11.406 16.507 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.574 -10.738 16.045 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.162 -12.420 15.634 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.723 -11.888 14.754 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.546 -12.898 13.882 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.363 -11.557 13.043 1.00 0.00 H new ATOM 491 N VAL A 32 -2.792 -9.377 14.369 1.00 0.00 N ATOM 492 CA VAL A 32 -4.091 -8.972 14.957 1.00 0.00 C ATOM 493 C VAL A 32 -5.144 -9.142 13.874 1.00 0.00 C ATOM 494 O VAL A 32 -6.282 -9.469 14.130 1.00 0.00 O ATOM 495 CB VAL A 32 -4.017 -7.504 15.377 1.00 0.00 C ATOM 496 CG1 VAL A 32 -5.370 -7.047 15.928 1.00 0.00 C ATOM 497 CG2 VAL A 32 -2.933 -7.338 16.445 1.00 0.00 C ATOM 0 H VAL A 32 -2.091 -8.638 14.309 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.334 -9.575 15.832 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.769 -6.891 14.510 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.307 -6.000 16.225 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.134 -7.161 15.159 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.634 -7.654 16.794 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.877 -6.292 16.747 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.178 -7.953 17.311 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.971 -7.650 16.039 1.00 0.00 H new ATOM 507 N ALA A 33 -4.760 -8.924 12.654 1.00 0.00 N ATOM 508 CA ALA A 33 -5.722 -9.078 11.541 1.00 0.00 C ATOM 509 C ALA A 33 -6.102 -10.561 11.419 1.00 0.00 C ATOM 510 O ALA A 33 -7.194 -10.904 11.009 1.00 0.00 O ATOM 511 CB ALA A 33 -5.069 -8.596 10.237 1.00 0.00 C ATOM 0 H ALA A 33 -3.818 -8.645 12.380 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.617 -8.486 11.731 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.775 -8.708 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.790 -7.547 10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.178 -9.191 10.035 1.00 0.00 H new ATOM 517 N LYS A 34 -5.201 -11.440 11.782 1.00 0.00 N ATOM 518 CA LYS A 34 -5.488 -12.906 11.697 1.00 0.00 C ATOM 519 C LYS A 34 -6.620 -13.260 12.650 1.00 0.00 C ATOM 520 O LYS A 34 -7.604 -13.867 12.277 1.00 0.00 O ATOM 521 CB LYS A 34 -4.245 -13.698 12.127 1.00 0.00 C ATOM 522 CG LYS A 34 -3.009 -13.080 11.511 1.00 0.00 C ATOM 523 CD LYS A 34 -3.232 -12.852 10.015 1.00 0.00 C ATOM 524 CE LYS A 34 -3.335 -14.202 9.301 1.00 0.00 C ATOM 525 NZ LYS A 34 -2.829 -14.065 7.906 1.00 0.00 N ATOM 0 H LYS A 34 -4.274 -11.204 12.136 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.762 -13.152 10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.160 -13.699 13.214 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.338 -14.738 11.814 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.781 -12.134 12.002 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.150 -13.733 11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.143 -12.275 9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.409 -12.271 9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.756 -14.954 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.370 -14.543 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.899 -14.982 7.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.399 -13.359 7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.836 -13.758 7.926 1.00 0.00 H new ATOM 539 N ARG A 35 -6.467 -12.899 13.886 1.00 0.00 N ATOM 540 CA ARG A 35 -7.510 -13.226 14.897 1.00 0.00 C ATOM 541 C ARG A 35 -8.781 -12.407 14.653 1.00 0.00 C ATOM 542 O ARG A 35 -9.855 -12.777 15.086 1.00 0.00 O ATOM 543 CB ARG A 35 -6.967 -12.925 16.291 1.00 0.00 C ATOM 544 CG ARG A 35 -6.025 -14.048 16.710 1.00 0.00 C ATOM 545 CD ARG A 35 -4.592 -13.531 16.673 1.00 0.00 C ATOM 546 NE ARG A 35 -3.756 -14.329 17.615 1.00 0.00 N ATOM 547 CZ ARG A 35 -3.066 -15.350 17.182 1.00 0.00 C ATOM 548 NH1 ARG A 35 -3.296 -15.844 15.996 1.00 0.00 N ATOM 549 NH2 ARG A 35 -2.149 -15.883 17.942 1.00 0.00 N ATOM 0 H ARG A 35 -5.661 -12.388 14.246 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.762 -14.283 14.813 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.439 -11.971 16.292 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.787 -12.836 17.003 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.275 -14.395 17.713 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.135 -14.901 16.041 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.192 -13.605 15.662 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.566 -12.477 16.949 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.723 -14.076 18.603 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.017 -15.433 15.403 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.755 -16.641 15.662 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.973 -15.502 18.872 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.609 -16.680 17.606 1.00 0.00 H new ATOM 563 N GLN A 36 -8.677 -11.295 13.979 1.00 0.00 N ATOM 564 CA GLN A 36 -9.891 -10.461 13.735 1.00 0.00 C ATOM 565 C GLN A 36 -10.681 -11.006 12.543 1.00 0.00 C ATOM 566 O GLN A 36 -11.819 -10.643 12.325 1.00 0.00 O ATOM 567 CB GLN A 36 -9.470 -9.020 13.440 1.00 0.00 C ATOM 568 CG GLN A 36 -10.032 -8.093 14.519 1.00 0.00 C ATOM 569 CD GLN A 36 -11.312 -7.425 14.011 1.00 0.00 C ATOM 570 OE1 GLN A 36 -11.438 -7.140 12.837 1.00 0.00 O ATOM 571 NE2 GLN A 36 -12.273 -7.161 14.854 1.00 0.00 N ATOM 0 H GLN A 36 -7.809 -10.928 13.588 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.520 -10.491 14.624 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.383 -8.946 13.412 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.835 -8.717 12.459 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.242 -8.660 15.426 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.294 -7.335 14.781 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.167 -7.401 15.840 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.130 -6.715 14.527 1.00 0.00 H new ATOM 580 N GLY A 37 -10.087 -11.858 11.759 1.00 0.00 N ATOM 581 CA GLY A 37 -10.809 -12.400 10.573 1.00 0.00 C ATOM 582 C GLY A 37 -10.826 -11.315 9.501 1.00 0.00 C ATOM 583 O GLY A 37 -11.692 -11.269 8.650 1.00 0.00 O ATOM 0 H GLY A 37 -9.136 -12.203 11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.313 -13.297 10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.826 -12.686 10.843 1.00 0.00 H new ATOM 587 N VAL A 38 -9.869 -10.433 9.563 1.00 0.00 N ATOM 588 CA VAL A 38 -9.791 -9.316 8.586 1.00 0.00 C ATOM 589 C VAL A 38 -8.328 -9.063 8.238 1.00 0.00 C ATOM 590 O VAL A 38 -7.435 -9.526 8.914 1.00 0.00 O ATOM 591 CB VAL A 38 -10.393 -8.065 9.222 1.00 0.00 C ATOM 592 CG1 VAL A 38 -11.453 -8.481 10.243 1.00 0.00 C ATOM 593 CG2 VAL A 38 -9.287 -7.281 9.930 1.00 0.00 C ATOM 0 H VAL A 38 -9.126 -10.440 10.262 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.341 -9.566 7.679 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.850 -7.442 8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.886 -7.592 10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.236 -9.050 9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.993 -9.098 11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.710 -6.386 10.386 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.837 -7.904 10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.525 -6.993 9.206 1.00 0.00 H new ATOM 603 N PRO A 39 -8.150 -8.346 7.174 1.00 0.00 N ATOM 604 CA PRO A 39 -6.822 -7.990 6.641 1.00 0.00 C ATOM 605 C PRO A 39 -6.183 -6.842 7.438 1.00 0.00 C ATOM 606 O PRO A 39 -6.845 -5.909 7.845 1.00 0.00 O ATOM 607 CB PRO A 39 -7.133 -7.564 5.202 1.00 0.00 C ATOM 608 CG PRO A 39 -8.632 -7.168 5.175 1.00 0.00 C ATOM 609 CD PRO A 39 -9.283 -7.822 6.398 1.00 0.00 C ATOM 0 HA PRO A 39 -6.104 -8.808 6.702 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.505 -6.726 4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.934 -8.378 4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.747 -6.085 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.106 -7.510 4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.861 -7.100 6.975 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.968 -8.618 6.106 1.00 0.00 H new ATOM 617 N ALA A 40 -4.891 -6.911 7.656 1.00 0.00 N ATOM 618 CA ALA A 40 -4.179 -5.837 8.420 1.00 0.00 C ATOM 619 C ALA A 40 -4.478 -4.471 7.808 1.00 0.00 C ATOM 620 O ALA A 40 -4.352 -3.450 8.455 1.00 0.00 O ATOM 621 CB ALA A 40 -2.679 -6.090 8.355 1.00 0.00 C ATOM 0 H ALA A 40 -4.294 -7.673 7.334 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.520 -5.850 9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.154 -5.312 8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.455 -7.062 8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.353 -6.078 7.315 1.00 0.00 H new ATOM 627 N ASP A 41 -4.867 -4.439 6.569 1.00 0.00 N ATOM 628 CA ASP A 41 -5.166 -3.131 5.930 1.00 0.00 C ATOM 629 C ASP A 41 -6.304 -2.455 6.700 1.00 0.00 C ATOM 630 O ASP A 41 -6.160 -1.363 7.215 1.00 0.00 O ATOM 631 CB ASP A 41 -5.585 -3.351 4.474 1.00 0.00 C ATOM 632 CG ASP A 41 -4.963 -2.265 3.593 1.00 0.00 C ATOM 633 OD1 ASP A 41 -5.574 -1.218 3.458 1.00 0.00 O ATOM 634 OD2 ASP A 41 -3.887 -2.500 3.067 1.00 0.00 O ATOM 0 H ASP A 41 -4.991 -5.257 5.972 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.279 -2.498 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.263 -4.336 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.671 -3.325 4.389 1.00 0.00 H new ATOM 639 N GLN A 42 -7.427 -3.113 6.800 1.00 0.00 N ATOM 640 CA GLN A 42 -8.578 -2.541 7.556 1.00 0.00 C ATOM 641 C GLN A 42 -8.176 -2.414 9.022 1.00 0.00 C ATOM 642 O GLN A 42 -8.419 -1.422 9.677 1.00 0.00 O ATOM 643 CB GLN A 42 -9.762 -3.506 7.463 1.00 0.00 C ATOM 644 CG GLN A 42 -10.794 -2.974 6.466 1.00 0.00 C ATOM 645 CD GLN A 42 -12.088 -3.781 6.596 1.00 0.00 C ATOM 646 OE1 GLN A 42 -12.061 -4.944 6.949 1.00 0.00 O ATOM 647 NE2 GLN A 42 -13.230 -3.210 6.323 1.00 0.00 N ATOM 0 H GLN A 42 -7.598 -4.030 6.387 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.851 -1.569 7.145 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.415 -4.491 7.149 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.221 -3.627 8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.990 -1.919 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.406 -3.048 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.254 -2.234 6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.098 -3.740 6.406 1.00 0.00 H new ATOM 656 N LEU A 43 -7.564 -3.441 9.521 1.00 0.00 N ATOM 657 CA LEU A 43 -7.119 -3.479 10.937 1.00 0.00 C ATOM 658 C LEU A 43 -5.999 -2.468 11.174 1.00 0.00 C ATOM 659 O LEU A 43 -5.138 -2.284 10.337 1.00 0.00 O ATOM 660 CB LEU A 43 -6.568 -4.874 11.179 1.00 0.00 C ATOM 661 CG LEU A 43 -6.933 -5.357 12.566 1.00 0.00 C ATOM 662 CD1 LEU A 43 -8.342 -5.961 12.544 1.00 0.00 C ATOM 663 CD2 LEU A 43 -5.916 -6.418 12.963 1.00 0.00 C ATOM 0 H LEU A 43 -7.346 -4.284 8.990 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.948 -3.239 11.603 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.964 -5.562 10.432 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.484 -4.868 11.064 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.923 -4.534 13.281 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.604 -6.309 13.543 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.058 -5.204 12.224 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.367 -6.801 11.849 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.149 -6.790 13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.953 -7.242 12.251 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.917 -5.983 12.962 1.00 0.00 H new ATOM 675 N ARG A 44 -5.971 -1.828 12.316 1.00 0.00 N ATOM 676 CA ARG A 44 -4.859 -0.868 12.570 1.00 0.00 C ATOM 677 C ARG A 44 -4.597 -0.698 14.059 1.00 0.00 C ATOM 678 O ARG A 44 -5.433 -0.250 14.815 1.00 0.00 O ATOM 679 CB ARG A 44 -5.139 0.471 11.909 1.00 0.00 C ATOM 680 CG ARG A 44 -4.121 0.630 10.781 1.00 0.00 C ATOM 681 CD ARG A 44 -4.850 0.780 9.450 1.00 0.00 C ATOM 682 NE ARG A 44 -4.670 2.169 8.941 1.00 0.00 N ATOM 683 CZ ARG A 44 -5.454 2.631 8.008 1.00 0.00 C ATOM 684 NH1 ARG A 44 -6.208 1.814 7.327 1.00 0.00 N ATOM 685 NH2 ARG A 44 -5.486 3.911 7.759 1.00 0.00 N ATOM 0 H ARG A 44 -6.654 -1.926 13.067 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.955 -1.284 12.125 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.156 0.504 11.519 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.048 1.284 12.629 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.494 1.503 10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.460 -0.236 10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.461 0.063 8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.910 0.562 9.577 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.932 2.759 9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.184 0.814 7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.822 2.175 6.597 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.898 4.550 8.294 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.099 4.273 7.029 1.00 0.00 H new ATOM 699 N VAL A 45 -3.420 -1.079 14.467 1.00 0.00 N ATOM 700 CA VAL A 45 -3.027 -0.998 15.893 1.00 0.00 C ATOM 701 C VAL A 45 -2.355 0.336 16.207 1.00 0.00 C ATOM 702 O VAL A 45 -1.388 0.726 15.583 1.00 0.00 O ATOM 703 CB VAL A 45 -2.037 -2.122 16.175 1.00 0.00 C ATOM 704 CG1 VAL A 45 -2.145 -2.525 17.640 1.00 0.00 C ATOM 705 CG2 VAL A 45 -2.376 -3.311 15.283 1.00 0.00 C ATOM 0 H VAL A 45 -2.698 -1.453 13.852 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.920 -1.087 16.512 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.019 -1.791 15.968 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.439 -3.329 17.849 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.915 -1.667 18.271 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.158 -2.868 17.849 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.674 -4.122 15.476 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.390 -3.650 15.498 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.307 -3.012 14.237 1.00 0.00 H new ATOM 715 N ILE A 46 -2.845 1.015 17.199 1.00 0.00 N ATOM 716 CA ILE A 46 -2.233 2.305 17.608 1.00 0.00 C ATOM 717 C ILE A 46 -2.011 2.244 19.123 1.00 0.00 C ATOM 718 O ILE A 46 -2.927 2.035 19.886 1.00 0.00 O ATOM 719 CB ILE A 46 -3.164 3.448 17.218 1.00 0.00 C ATOM 720 CG1 ILE A 46 -3.435 3.363 15.707 1.00 0.00 C ATOM 721 CG2 ILE A 46 -2.501 4.788 17.550 1.00 0.00 C ATOM 722 CD1 ILE A 46 -4.918 3.630 15.442 1.00 0.00 C ATOM 0 H ILE A 46 -3.653 0.729 17.751 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.279 2.478 17.111 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.101 3.372 17.769 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.822 4.091 15.175 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.159 2.378 15.331 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.168 5.603 17.270 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.296 4.837 18.619 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.566 4.878 16.997 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.113 3.570 14.371 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.520 2.885 15.962 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.179 4.625 15.803 1.00 0.00 H new ATOM 734 N PHE A 47 -0.792 2.366 19.560 1.00 0.00 N ATOM 735 CA PHE A 47 -0.498 2.233 21.018 1.00 0.00 C ATOM 736 C PHE A 47 -0.635 3.552 21.770 1.00 0.00 C ATOM 737 O PHE A 47 -0.025 4.541 21.436 1.00 0.00 O ATOM 738 CB PHE A 47 0.925 1.761 21.164 1.00 0.00 C ATOM 739 CG PHE A 47 1.443 2.229 22.485 1.00 0.00 C ATOM 740 CD1 PHE A 47 2.008 3.502 22.607 1.00 0.00 C ATOM 741 CD2 PHE A 47 1.367 1.378 23.582 1.00 0.00 C ATOM 742 CE1 PHE A 47 2.505 3.925 23.846 1.00 0.00 C ATOM 743 CE2 PHE A 47 1.869 1.792 24.822 1.00 0.00 C ATOM 744 CZ PHE A 47 2.440 3.067 24.953 1.00 0.00 C ATOM 0 H PHE A 47 0.019 2.553 18.971 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.218 1.532 21.440 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.972 0.674 21.101 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.540 2.154 20.354 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.061 4.156 21.749 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.922 0.400 23.478 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.937 4.909 23.949 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.817 1.132 25.675 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.830 3.388 25.908 1.00 0.00 H new ATOM 754 N ALA A 48 -1.406 3.538 22.824 1.00 0.00 N ATOM 755 CA ALA A 48 -1.590 4.758 23.669 1.00 0.00 C ATOM 756 C ALA A 48 -2.170 5.915 22.855 1.00 0.00 C ATOM 757 O ALA A 48 -2.276 7.026 23.334 1.00 0.00 O ATOM 758 CB ALA A 48 -0.245 5.177 24.249 1.00 0.00 C ATOM 0 H ALA A 48 -1.926 2.720 23.142 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.290 4.517 24.469 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.376 6.066 24.866 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.156 4.368 24.859 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.449 5.397 23.437 1.00 0.00 H new ATOM 764 N GLY A 49 -2.562 5.670 21.643 1.00 0.00 N ATOM 765 CA GLY A 49 -3.150 6.766 20.825 1.00 0.00 C ATOM 766 C GLY A 49 -2.097 7.381 19.899 1.00 0.00 C ATOM 767 O GLY A 49 -2.358 8.364 19.233 1.00 0.00 O ATOM 0 H GLY A 49 -2.503 4.763 21.181 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.979 6.379 20.233 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.558 7.536 21.480 1.00 0.00 H new ATOM 771 N LYS A 50 -0.916 6.828 19.832 1.00 0.00 N ATOM 772 CA LYS A 50 0.101 7.419 18.926 1.00 0.00 C ATOM 773 C LYS A 50 0.089 6.649 17.607 1.00 0.00 C ATOM 774 O LYS A 50 0.331 5.459 17.567 1.00 0.00 O ATOM 775 CB LYS A 50 1.488 7.319 19.569 1.00 0.00 C ATOM 776 CG LYS A 50 1.651 8.426 20.614 1.00 0.00 C ATOM 777 CD LYS A 50 0.990 7.993 21.925 1.00 0.00 C ATOM 778 CE LYS A 50 1.848 8.454 23.105 1.00 0.00 C ATOM 779 NZ LYS A 50 2.965 7.491 23.314 1.00 0.00 N ATOM 0 H LYS A 50 -0.618 6.006 20.357 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.130 8.469 18.745 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.614 6.342 20.037 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.261 7.409 18.806 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.709 8.632 20.779 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.198 9.350 20.254 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.010 8.421 21.999 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.875 6.909 21.946 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.245 9.451 22.912 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.239 8.522 24.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.023 7.240 24.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.793 6.632 22.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.860 7.927 23.014 1.00 0.00 H new ATOM 793 N GLU A 51 -0.200 7.321 16.525 1.00 0.00 N ATOM 794 CA GLU A 51 -0.231 6.629 15.208 1.00 0.00 C ATOM 795 C GLU A 51 1.185 6.182 14.854 1.00 0.00 C ATOM 796 O GLU A 51 2.042 6.991 14.558 1.00 0.00 O ATOM 797 CB GLU A 51 -0.750 7.588 14.132 1.00 0.00 C ATOM 798 CG GLU A 51 -1.342 6.780 12.977 1.00 0.00 C ATOM 799 CD GLU A 51 -1.000 7.453 11.647 1.00 0.00 C ATOM 800 OE1 GLU A 51 -1.223 8.648 11.534 1.00 0.00 O ATOM 801 OE2 GLU A 51 -0.521 6.763 10.762 1.00 0.00 O ATOM 0 H GLU A 51 -0.415 8.318 16.498 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.892 5.764 15.261 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.507 8.250 14.553 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.061 8.220 13.770 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.949 5.764 12.993 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.424 6.705 13.090 1.00 0.00 H new ATOM 808 N LEU A 52 1.447 4.906 14.890 1.00 0.00 N ATOM 809 CA LEU A 52 2.817 4.430 14.560 1.00 0.00 C ATOM 810 C LEU A 52 2.885 4.064 13.082 1.00 0.00 C ATOM 811 O LEU A 52 1.922 3.581 12.520 1.00 0.00 O ATOM 812 CB LEU A 52 3.157 3.194 15.397 1.00 0.00 C ATOM 813 CG LEU A 52 2.450 3.278 16.747 1.00 0.00 C ATOM 814 CD1 LEU A 52 2.947 2.154 17.658 1.00 0.00 C ATOM 815 CD2 LEU A 52 2.756 4.628 17.398 1.00 0.00 C ATOM 0 H LEU A 52 0.776 4.177 15.132 1.00 0.00 H new ATOM 0 HA LEU A 52 3.531 5.224 14.779 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.850 2.290 14.870 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.235 3.127 15.543 1.00 0.00 H new ATOM 0 HG LEU A 52 1.375 3.177 16.598 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.441 2.216 18.621 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.732 1.190 17.197 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.022 2.254 17.806 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.252 4.690 18.362 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.832 4.726 17.544 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.403 5.432 16.752 1.00 0.00 H new ATOM 827 N PRO A 53 4.031 4.286 12.502 1.00 0.00 N ATOM 828 CA PRO A 53 4.271 3.968 11.091 1.00 0.00 C ATOM 829 C PRO A 53 4.469 2.460 10.951 1.00 0.00 C ATOM 830 O PRO A 53 5.043 1.816 11.807 1.00 0.00 O ATOM 831 CB PRO A 53 5.543 4.744 10.751 1.00 0.00 C ATOM 832 CG PRO A 53 6.259 5.006 12.094 1.00 0.00 C ATOM 833 CD PRO A 53 5.192 4.871 13.198 1.00 0.00 C ATOM 0 HA PRO A 53 3.451 4.238 10.425 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.179 4.172 10.076 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.305 5.681 10.247 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.067 4.291 12.248 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.706 6.000 12.107 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.536 4.229 14.009 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.948 5.838 13.638 1.00 0.00 H new ATOM 841 N ASN A 54 3.972 1.889 9.897 1.00 0.00 N ATOM 842 CA ASN A 54 4.099 0.418 9.716 1.00 0.00 C ATOM 843 C ASN A 54 5.569 0.008 9.545 1.00 0.00 C ATOM 844 O ASN A 54 5.878 -1.163 9.457 1.00 0.00 O ATOM 845 CB ASN A 54 3.326 0.003 8.466 1.00 0.00 C ATOM 846 CG ASN A 54 1.926 0.617 8.502 1.00 0.00 C ATOM 847 OD1 ASN A 54 1.542 1.223 9.482 1.00 0.00 O ATOM 848 ND2 ASN A 54 1.141 0.486 7.467 1.00 0.00 N ATOM 0 H ASN A 54 3.481 2.377 9.148 1.00 0.00 H new ATOM 0 HA ASN A 54 3.698 -0.075 10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.856 0.333 7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.256 -1.083 8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.206 0.893 7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.463 -0.023 6.644 1.00 0.00 H new ATOM 855 N HIS A 55 6.478 0.944 9.473 1.00 0.00 N ATOM 856 CA HIS A 55 7.910 0.558 9.280 1.00 0.00 C ATOM 857 C HIS A 55 8.702 0.696 10.585 1.00 0.00 C ATOM 858 O HIS A 55 9.885 0.423 10.625 1.00 0.00 O ATOM 859 CB HIS A 55 8.543 1.450 8.207 1.00 0.00 C ATOM 860 CG HIS A 55 8.795 2.821 8.776 1.00 0.00 C ATOM 861 ND1 HIS A 55 9.663 3.270 9.742 1.00 0.00 N flip ATOM 862 CD2 HIS A 55 8.100 3.941 8.345 1.00 0.00 C flip ATOM 863 CE1 HIS A 55 9.511 4.644 9.908 1.00 0.00 C flip ATOM 864 NE2 HIS A 55 8.558 4.998 9.043 1.00 0.00 N flip ATOM 0 H HIS A 55 6.297 1.946 9.538 1.00 0.00 H new ATOM 0 HA HIS A 55 7.941 -0.485 8.966 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.479 1.011 7.860 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.884 1.520 7.342 1.00 0.00 H new ATOM 0 HD2 HIS A 55 7.331 3.962 7.587 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.049 5.286 10.590 1.00 0.00 H new ATOM 0 HE2 HIS A 55 8.218 5.952 8.925 1.00 0.00 H new ATOM 872 N LEU A 56 8.078 1.106 11.654 1.00 0.00 N ATOM 873 CA LEU A 56 8.834 1.237 12.934 1.00 0.00 C ATOM 874 C LEU A 56 8.761 -0.088 13.695 1.00 0.00 C ATOM 875 O LEU A 56 7.944 -0.938 13.403 1.00 0.00 O ATOM 876 CB LEU A 56 8.241 2.364 13.778 1.00 0.00 C ATOM 877 CG LEU A 56 8.936 3.681 13.419 1.00 0.00 C ATOM 878 CD1 LEU A 56 8.334 4.817 14.248 1.00 0.00 C ATOM 879 CD2 LEU A 56 10.431 3.573 13.716 1.00 0.00 C ATOM 0 H LEU A 56 7.090 1.354 11.699 1.00 0.00 H new ATOM 0 HA LEU A 56 9.876 1.476 12.721 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.169 2.444 13.598 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.371 2.148 14.838 1.00 0.00 H new ATOM 0 HG LEU A 56 8.793 3.886 12.358 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.828 5.755 13.993 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.268 4.898 14.034 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.476 4.608 15.308 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.922 4.512 13.459 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.577 3.365 14.776 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.862 2.765 13.125 1.00 0.00 H new ATOM 891 N THR A 57 9.624 -0.284 14.653 1.00 0.00 N ATOM 892 CA THR A 57 9.618 -1.566 15.408 1.00 0.00 C ATOM 893 C THR A 57 8.728 -1.465 16.646 1.00 0.00 C ATOM 894 O THR A 57 8.245 -0.409 17.002 1.00 0.00 O ATOM 895 CB THR A 57 11.043 -1.912 15.823 1.00 0.00 C ATOM 896 OG1 THR A 57 11.841 -0.736 15.798 1.00 0.00 O ATOM 897 CG2 THR A 57 11.603 -2.936 14.840 1.00 0.00 C ATOM 0 H THR A 57 10.333 0.389 14.945 1.00 0.00 H new ATOM 0 HA THR A 57 9.219 -2.350 14.765 1.00 0.00 H new ATOM 0 HB THR A 57 11.050 -2.326 16.831 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.418 -0.042 16.345 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.623 -3.193 15.125 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.984 -3.833 14.857 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.602 -2.514 13.835 1.00 0.00 H new ATOM 905 N VAL A 58 8.499 -2.575 17.292 1.00 0.00 N ATOM 906 CA VAL A 58 7.629 -2.587 18.499 1.00 0.00 C ATOM 907 C VAL A 58 8.235 -1.712 19.605 1.00 0.00 C ATOM 908 O VAL A 58 7.541 -0.998 20.297 1.00 0.00 O ATOM 909 CB VAL A 58 7.485 -4.031 18.989 1.00 0.00 C ATOM 910 CG1 VAL A 58 7.043 -4.036 20.452 1.00 0.00 C ATOM 911 CG2 VAL A 58 6.430 -4.740 18.136 1.00 0.00 C ATOM 0 H VAL A 58 8.882 -3.483 17.031 1.00 0.00 H new ATOM 0 HA VAL A 58 6.649 -2.183 18.245 1.00 0.00 H new ATOM 0 HB VAL A 58 8.442 -4.546 18.902 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.941 -5.065 20.798 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.788 -3.521 21.059 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.084 -3.526 20.544 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.319 -5.770 18.476 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.476 -4.221 18.232 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.743 -4.735 17.092 1.00 0.00 H new ATOM 921 N GLN A 59 9.519 -1.755 19.780 1.00 0.00 N ATOM 922 CA GLN A 59 10.154 -0.924 20.846 1.00 0.00 C ATOM 923 C GLN A 59 10.482 0.464 20.299 1.00 0.00 C ATOM 924 O GLN A 59 11.292 1.186 20.845 1.00 0.00 O ATOM 925 CB GLN A 59 11.449 -1.594 21.267 1.00 0.00 C ATOM 926 CG GLN A 59 11.363 -2.005 22.738 1.00 0.00 C ATOM 927 CD GLN A 59 12.661 -2.696 23.159 1.00 0.00 C ATOM 928 OE1 GLN A 59 12.641 -3.614 23.955 1.00 0.00 O ATOM 929 NE2 GLN A 59 13.795 -2.293 22.656 1.00 0.00 N ATOM 0 H GLN A 59 10.163 -2.328 19.234 1.00 0.00 H new ATOM 0 HA GLN A 59 9.471 -0.829 21.690 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.635 -2.470 20.645 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.287 -0.913 21.118 1.00 0.00 H new ATOM 0 HG2 GLN A 59 11.189 -1.128 23.361 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.517 -2.676 22.889 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.811 -1.522 21.988 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.665 -2.748 22.931 1.00 0.00 H new ATOM 938 N ASN A 60 9.871 0.834 19.219 1.00 0.00 N ATOM 939 CA ASN A 60 10.161 2.174 18.621 1.00 0.00 C ATOM 940 C ASN A 60 9.236 3.235 19.220 1.00 0.00 C ATOM 941 O ASN A 60 9.677 4.165 19.867 1.00 0.00 O ATOM 942 CB ASN A 60 9.974 2.115 17.103 1.00 0.00 C ATOM 943 CG ASN A 60 11.302 2.453 16.425 1.00 0.00 C ATOM 944 OD1 ASN A 60 12.061 1.571 16.079 1.00 0.00 O ATOM 945 ND2 ASN A 60 11.617 3.702 16.224 1.00 0.00 N ATOM 0 H ASN A 60 9.182 0.273 18.718 1.00 0.00 H new ATOM 0 HA ASN A 60 11.193 2.444 18.846 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.640 1.122 16.803 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.202 2.818 16.791 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.502 3.939 15.776 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.978 4.442 16.515 1.00 0.00 H new ATOM 952 N CYS A 61 7.956 3.095 19.024 1.00 0.00 N ATOM 953 CA CYS A 61 7.004 4.084 19.597 1.00 0.00 C ATOM 954 C CYS A 61 6.989 3.923 21.113 1.00 0.00 C ATOM 955 O CYS A 61 6.478 4.763 21.825 1.00 0.00 O ATOM 956 CB CYS A 61 5.599 3.834 19.047 1.00 0.00 C ATOM 957 SG CYS A 61 4.435 4.968 19.846 1.00 0.00 S ATOM 0 H CYS A 61 7.528 2.338 18.491 1.00 0.00 H new ATOM 0 HA CYS A 61 7.316 5.093 19.327 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.587 3.983 17.967 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.302 2.801 19.230 1.00 0.00 H new ATOM 0 HG CYS A 61 4.891 5.305 21.016 1.00 0.00 H new ATOM 963 N ASP A 62 7.537 2.825 21.587 1.00 0.00 N ATOM 964 CA ASP A 62 7.583 2.522 23.048 1.00 0.00 C ATOM 965 C ASP A 62 6.526 1.470 23.356 1.00 0.00 C ATOM 966 O ASP A 62 5.982 1.425 24.441 1.00 0.00 O ATOM 967 CB ASP A 62 7.322 3.772 23.890 1.00 0.00 C ATOM 968 CG ASP A 62 7.829 3.540 25.314 1.00 0.00 C ATOM 969 OD1 ASP A 62 9.021 3.683 25.529 1.00 0.00 O ATOM 970 OD2 ASP A 62 7.016 3.222 26.167 1.00 0.00 O ATOM 0 H ASP A 62 7.965 2.109 21.000 1.00 0.00 H new ATOM 0 HA ASP A 62 8.578 2.156 23.299 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.825 4.633 23.449 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.256 3.998 23.904 1.00 0.00 H new ATOM 975 N LEU A 63 6.237 0.607 22.415 1.00 0.00 N ATOM 976 CA LEU A 63 5.217 -0.448 22.687 1.00 0.00 C ATOM 977 C LEU A 63 5.831 -1.471 23.632 1.00 0.00 C ATOM 978 O LEU A 63 5.352 -1.700 24.726 1.00 0.00 O ATOM 979 CB LEU A 63 4.832 -1.135 21.398 1.00 0.00 C ATOM 980 CG LEU A 63 4.267 -0.090 20.463 1.00 0.00 C ATOM 981 CD1 LEU A 63 5.027 -0.153 19.157 1.00 0.00 C ATOM 982 CD2 LEU A 63 2.789 -0.376 20.238 1.00 0.00 C ATOM 0 H LEU A 63 6.656 0.587 21.485 1.00 0.00 H new ATOM 0 HA LEU A 63 4.328 0.001 23.130 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.700 -1.618 20.950 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.095 -1.915 21.587 1.00 0.00 H new ATOM 0 HG LEU A 63 4.370 0.908 20.889 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.632 0.595 18.470 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.083 0.045 19.341 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.914 -1.144 18.718 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.372 0.373 19.565 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.673 -1.366 19.797 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.262 -0.340 21.192 1.00 0.00 H new ATOM 994 N GLU A 64 6.904 -2.085 23.209 1.00 0.00 N ATOM 995 CA GLU A 64 7.576 -3.097 24.070 1.00 0.00 C ATOM 996 C GLU A 64 6.593 -4.222 24.369 1.00 0.00 C ATOM 997 O GLU A 64 5.397 -4.009 24.404 1.00 0.00 O ATOM 998 CB GLU A 64 7.995 -2.445 25.393 1.00 0.00 C ATOM 999 CG GLU A 64 9.393 -1.840 25.261 1.00 0.00 C ATOM 1000 CD GLU A 64 10.429 -2.828 25.799 1.00 0.00 C ATOM 1001 OE1 GLU A 64 10.160 -4.018 25.761 1.00 0.00 O ATOM 1002 OE2 GLU A 64 11.476 -2.381 26.239 1.00 0.00 O ATOM 0 H GLU A 64 7.344 -1.928 22.302 1.00 0.00 H new ATOM 0 HA GLU A 64 8.455 -3.488 23.557 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.279 -1.670 25.668 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.985 -3.186 26.192 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.604 -1.608 24.217 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.448 -0.902 25.813 1.00 0.00 H new ATOM 1009 N GLN A 65 7.074 -5.412 24.610 1.00 0.00 N ATOM 1010 CA GLN A 65 6.131 -6.512 24.937 1.00 0.00 C ATOM 1011 C GLN A 65 5.194 -5.971 26.015 1.00 0.00 C ATOM 1012 O GLN A 65 5.611 -5.219 26.873 1.00 0.00 O ATOM 1013 CB GLN A 65 6.902 -7.721 25.461 1.00 0.00 C ATOM 1014 CG GLN A 65 7.792 -7.278 26.620 1.00 0.00 C ATOM 1015 CD GLN A 65 8.961 -8.252 26.777 1.00 0.00 C ATOM 1016 OE1 GLN A 65 9.232 -8.721 27.864 1.00 0.00 O ATOM 1017 NE2 GLN A 65 9.671 -8.576 25.732 1.00 0.00 N ATOM 0 H GLN A 65 8.062 -5.665 24.595 1.00 0.00 H new ATOM 0 HA GLN A 65 5.573 -6.833 24.058 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.209 -8.495 25.792 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.508 -8.155 24.666 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.168 -6.271 26.438 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.212 -7.240 27.542 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.444 -8.182 24.819 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.454 -9.223 25.828 1.00 0.00 H new ATOM 1026 N GLN A 66 3.932 -6.280 25.955 1.00 0.00 N ATOM 1027 CA GLN A 66 2.999 -5.702 26.955 1.00 0.00 C ATOM 1028 C GLN A 66 2.802 -4.244 26.551 1.00 0.00 C ATOM 1029 O GLN A 66 3.692 -3.427 26.681 1.00 0.00 O ATOM 1030 CB GLN A 66 3.607 -5.770 28.358 1.00 0.00 C ATOM 1031 CG GLN A 66 2.495 -5.663 29.402 1.00 0.00 C ATOM 1032 CD GLN A 66 1.432 -6.726 29.121 1.00 0.00 C ATOM 1033 OE1 GLN A 66 0.326 -6.408 28.731 1.00 0.00 O ATOM 1034 NE2 GLN A 66 1.722 -7.986 29.302 1.00 0.00 N ATOM 0 H GLN A 66 3.510 -6.901 25.265 1.00 0.00 H new ATOM 0 HA GLN A 66 2.057 -6.250 26.978 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.151 -6.706 28.485 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.326 -4.962 28.494 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.906 -5.799 30.402 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.048 -4.669 29.373 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.650 -8.254 29.629 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.020 -8.703 29.116 1.00 0.00 H new ATOM 1043 N SER A 67 1.668 -3.923 26.014 1.00 0.00 N ATOM 1044 CA SER A 67 1.421 -2.545 25.541 1.00 0.00 C ATOM 1045 C SER A 67 -0.038 -2.469 25.170 1.00 0.00 C ATOM 1046 O SER A 67 -0.545 -3.315 24.465 1.00 0.00 O ATOM 1047 CB SER A 67 2.283 -2.303 24.308 1.00 0.00 C ATOM 1048 OG SER A 67 1.449 -2.161 23.167 1.00 0.00 O ATOM 0 H SER A 67 0.889 -4.568 25.881 1.00 0.00 H new ATOM 0 HA SER A 67 1.663 -1.800 26.299 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.887 -1.406 24.444 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.974 -3.134 24.165 1.00 0.00 H new ATOM 0 HG SER A 67 2.000 -2.164 22.357 1.00 0.00 H new ATOM 1054 N ILE A 68 -0.739 -1.495 25.632 1.00 0.00 N ATOM 1055 CA ILE A 68 -2.152 -1.451 25.280 1.00 0.00 C ATOM 1056 C ILE A 68 -2.268 -0.762 23.930 1.00 0.00 C ATOM 1057 O ILE A 68 -1.918 0.389 23.759 1.00 0.00 O ATOM 1058 CB ILE A 68 -2.890 -0.699 26.378 1.00 0.00 C ATOM 1059 CG1 ILE A 68 -3.566 -1.690 27.326 1.00 0.00 C ATOM 1060 CG2 ILE A 68 -3.944 0.186 25.751 1.00 0.00 C ATOM 1061 CD1 ILE A 68 -2.613 -2.847 27.664 1.00 0.00 C ATOM 0 H ILE A 68 -0.398 -0.741 26.228 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.594 -2.444 25.199 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.179 -0.093 26.939 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.867 -1.180 28.241 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.474 -2.081 26.866 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.476 0.728 26.533 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.467 0.898 25.077 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.649 -0.428 25.191 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.111 -3.543 28.340 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.334 -3.368 26.748 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.718 -2.452 28.144 1.00 0.00 H new ATOM 1073 N VAL A 69 -2.728 -1.490 22.964 1.00 0.00 N ATOM 1074 CA VAL A 69 -2.849 -0.945 21.599 1.00 0.00 C ATOM 1075 C VAL A 69 -4.331 -0.843 21.242 1.00 0.00 C ATOM 1076 O VAL A 69 -5.172 -1.447 21.877 1.00 0.00 O ATOM 1077 CB VAL A 69 -2.161 -1.887 20.608 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -1.000 -1.160 19.929 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -1.628 -3.121 21.339 1.00 0.00 C ATOM 0 H VAL A 69 -3.031 -2.459 23.067 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.380 0.038 21.551 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.886 -2.201 19.857 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.512 -1.833 19.224 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.379 -0.288 19.396 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.280 -0.840 20.683 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.140 -3.785 20.625 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.908 -2.812 22.097 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.455 -3.647 21.816 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.664 -0.100 20.233 1.00 0.00 N ATOM 1090 CA HIS A 70 -6.090 0.014 19.846 1.00 0.00 C ATOM 1091 C HIS A 70 -6.232 -0.371 18.374 1.00 0.00 C ATOM 1092 O HIS A 70 -5.849 0.369 17.488 1.00 0.00 O ATOM 1093 CB HIS A 70 -6.564 1.454 20.057 1.00 0.00 C ATOM 1094 CG HIS A 70 -6.568 1.773 21.530 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -5.590 2.559 22.122 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -7.427 1.420 22.544 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -5.881 2.651 23.434 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -6.990 1.975 23.743 1.00 0.00 N ATOM 0 H HIS A 70 -4.011 0.434 19.659 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.698 -0.651 20.459 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.909 2.145 19.527 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.564 1.583 19.644 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.307 0.805 22.428 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.289 3.204 24.149 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.424 1.885 24.662 1.00 0.00 H new ATOM 1106 N ILE A 71 -6.781 -1.523 18.106 1.00 0.00 N ATOM 1107 CA ILE A 71 -6.950 -1.961 16.703 1.00 0.00 C ATOM 1108 C ILE A 71 -8.197 -1.286 16.126 1.00 0.00 C ATOM 1109 O ILE A 71 -9.192 -1.115 16.802 1.00 0.00 O ATOM 1110 CB ILE A 71 -7.049 -3.493 16.652 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -8.473 -3.925 16.401 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -6.528 -4.124 17.934 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -8.588 -4.238 14.922 1.00 0.00 C ATOM 0 H ILE A 71 -7.121 -2.181 18.808 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.091 -1.669 16.099 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.425 -3.837 15.827 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.722 -4.801 17.001 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.171 -3.137 16.684 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.612 -5.209 17.866 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.483 -3.849 18.076 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.115 -3.767 18.780 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.606 -4.556 14.695 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.348 -3.347 14.342 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.893 -5.037 14.664 1.00 0.00 H new ATOM 1125 N VAL A 72 -8.148 -0.877 14.890 1.00 0.00 N ATOM 1126 CA VAL A 72 -9.330 -0.200 14.292 1.00 0.00 C ATOM 1127 C VAL A 72 -9.576 -0.734 12.880 1.00 0.00 C ATOM 1128 O VAL A 72 -8.696 -0.731 12.040 1.00 0.00 O ATOM 1129 CB VAL A 72 -9.079 1.309 14.234 1.00 0.00 C ATOM 1130 CG1 VAL A 72 -7.900 1.599 13.305 1.00 0.00 C ATOM 1131 CG2 VAL A 72 -10.330 2.012 13.703 1.00 0.00 C ATOM 0 H VAL A 72 -7.344 -0.982 14.271 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.207 -0.400 14.907 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.849 1.676 15.234 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.724 2.674 13.266 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.008 1.098 13.682 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.127 1.232 12.304 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.153 3.087 13.661 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.558 1.642 12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.171 1.808 14.366 1.00 0.00 H new ATOM 1141 N GLN A 73 -10.771 -1.194 12.621 1.00 0.00 N ATOM 1142 CA GLN A 73 -11.102 -1.725 11.268 1.00 0.00 C ATOM 1143 C GLN A 73 -12.307 -0.962 10.710 1.00 0.00 C ATOM 1144 O GLN A 73 -13.404 -1.105 11.207 1.00 0.00 O ATOM 1145 CB GLN A 73 -11.448 -3.212 11.373 1.00 0.00 C ATOM 1146 CG GLN A 73 -11.927 -3.721 10.011 1.00 0.00 C ATOM 1147 CD GLN A 73 -13.359 -4.249 10.132 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -13.570 -5.420 10.373 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -14.359 -3.428 9.973 1.00 0.00 N ATOM 0 H GLN A 73 -11.537 -1.225 13.294 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.246 -1.598 10.606 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.575 -3.778 11.698 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.224 -3.364 12.123 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.887 -2.917 9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.267 -4.511 9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.184 -2.444 9.770 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.317 -3.770 10.051 1.00 0.00 H new