USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 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 67 GLN : amide:sc= -0.33 X(o=0.57,f=0.9) USER MOD Set 1.2: A 70 SER OG : rot 166:sc= 0.9 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= -0.822 X(o=-0.82,f=-1.3) USER MOD Set 3.1: A 58 SER OG : rot -36:sc= 0.697 USER MOD Set 3.2: A 61 MET CE :methyl -165:sc=-0.00393 (180deg=-0.217) USER MOD Set 4.1: A 32 LYS NZ :NH3+ -112:sc= -0.451 (180deg=-2.06!) USER MOD Set 4.2: A 46 GLN : amide:sc= -0.0706 K(o=-0.52,f=-7.6!) USER MOD Set 5.1: A 12 THR OG1 : rot 125:sc= 0.777 USER MOD Set 5.2: A 14 THR OG1 : rot 180:sc= 0.742 USER MOD Set 6.1: A 11 LYS NZ :NH3+ -148:sc= -0.0196 (180deg=0) USER MOD Set 6.2: A 73 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-4.5!) USER MOD Single : A 6 MET CE :methyl -135:sc= -0.695 (180deg=-1.86) USER MOD Single : A 7 GLN : amide:sc= -1.2 K(o=-1.2,f=-5.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.062 USER MOD Single : A 19 THR OG1 : rot -102:sc= 0.0646 USER MOD Single : A 24 HIS : no HD1:sc= -0.0235 X(o=-0.024,f=-0.0092) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= -0.555 (180deg=-0.846) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.158 K(o=-0.16,f=-5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.575 K(o=-0.57,f=-4.9!) USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= -0.172 (180deg=-0.775) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0215 USER MOD ----------------------------------------------------------------- ATOM 59 N MET A 6 -7.626 6.366 -10.722 1.00 13.41 N ATOM 60 CA MET A 6 -8.533 7.450 -10.362 1.00 54.33 C ATOM 61 C MET A 6 -9.878 7.290 -11.065 1.00 44.03 C ATOM 62 O MET A 6 -10.128 6.279 -11.721 1.00 44.33 O ATOM 63 CB MET A 6 -7.915 8.802 -10.722 1.00 5.41 C ATOM 64 CG MET A 6 -7.324 8.847 -12.122 1.00 2.32 C ATOM 65 SD MET A 6 -5.539 9.103 -12.115 1.00 10.33 S ATOM 66 CE MET A 6 -5.077 8.311 -13.653 1.00 52.03 C ATOM 0 HA MET A 6 -8.698 7.409 -9.285 1.00 54.33 H new ATOM 0 HB2 MET A 6 -8.677 9.576 -10.633 1.00 5.41 H new ATOM 0 HB3 MET A 6 -7.134 9.039 -9.999 1.00 5.41 H new ATOM 0 HG2 MET A 6 -7.551 7.914 -12.638 1.00 2.32 H new ATOM 0 HG3 MET A 6 -7.800 9.648 -12.687 1.00 2.32 H new ATOM 0 HE1 MET A 6 -4.198 7.687 -13.491 1.00 52.03 H new ATOM 0 HE2 MET A 6 -5.902 7.692 -14.005 1.00 52.03 H new ATOM 0 HE3 MET A 6 -4.850 9.072 -14.400 1.00 52.03 H new ATOM 76 N GLN A 7 -10.738 8.293 -10.923 1.00 71.10 N ATOM 77 CA GLN A 7 -12.057 8.261 -11.544 1.00 41.22 C ATOM 78 C GLN A 7 -12.416 9.623 -12.130 1.00 65.21 C ATOM 79 O GLN A 7 -11.892 10.651 -11.701 1.00 11.35 O ATOM 80 CB GLN A 7 -13.115 7.837 -10.524 1.00 5.34 C ATOM 81 CG GLN A 7 -12.694 6.653 -9.668 1.00 53.01 C ATOM 82 CD GLN A 7 -12.207 7.069 -8.294 1.00 42.34 C ATOM 83 OE1 GLN A 7 -12.018 8.255 -8.023 1.00 42.41 O ATOM 84 NE2 GLN A 7 -12.000 6.093 -7.418 1.00 53.03 N ATOM 0 H GLN A 7 -10.546 9.137 -10.384 1.00 71.10 H new ATOM 0 HA GLN A 7 -12.031 7.532 -12.354 1.00 41.22 H new ATOM 0 HB2 GLN A 7 -13.341 8.683 -9.874 1.00 5.34 H new ATOM 0 HB3 GLN A 7 -14.035 7.585 -11.051 1.00 5.34 H new ATOM 0 HG2 GLN A 7 -13.537 5.971 -9.559 1.00 53.01 H new ATOM 0 HG3 GLN A 7 -11.903 6.104 -10.179 1.00 53.01 H new ATOM 0 HE21 GLN A 7 -12.170 5.123 -7.685 1.00 53.03 H new ATOM 0 HE22 GLN A 7 -11.671 6.313 -6.478 1.00 53.03 H new ATOM 93 N ILE A 8 -13.310 9.622 -13.113 1.00 30.44 N ATOM 94 CA ILE A 8 -13.739 10.857 -13.756 1.00 44.14 C ATOM 95 C ILE A 8 -15.260 10.945 -13.819 1.00 44.33 C ATOM 96 O ILE A 8 -15.954 9.931 -13.753 1.00 34.01 O ATOM 97 CB ILE A 8 -13.169 10.976 -15.183 1.00 34.54 C ATOM 98 CG1 ILE A 8 -12.306 9.757 -15.513 1.00 62.53 C ATOM 99 CG2 ILE A 8 -12.363 12.258 -15.326 1.00 62.51 C ATOM 100 CD1 ILE A 8 -11.873 9.698 -16.961 1.00 45.04 C ATOM 0 H ILE A 8 -13.751 8.779 -13.481 1.00 30.44 H new ATOM 0 HA ILE A 8 -13.355 11.678 -13.150 1.00 44.14 H new ATOM 0 HB ILE A 8 -13.999 11.012 -15.889 1.00 34.54 H new ATOM 0 HG12 ILE A 8 -11.421 9.766 -14.877 1.00 62.53 H new ATOM 0 HG13 ILE A 8 -12.863 8.852 -15.271 1.00 62.53 H new ATOM 0 HG21 ILE A 8 -11.967 12.328 -16.339 1.00 62.51 H new ATOM 0 HG22 ILE A 8 -13.006 13.116 -15.128 1.00 62.51 H new ATOM 0 HG23 ILE A 8 -11.538 12.250 -14.614 1.00 62.51 H new ATOM 0 HD11 ILE A 8 -11.265 8.808 -17.123 1.00 45.04 H new ATOM 0 HD12 ILE A 8 -12.753 9.657 -17.603 1.00 45.04 H new ATOM 0 HD13 ILE A 8 -11.289 10.586 -17.202 1.00 45.04 H new ATOM 112 N PHE A 9 -15.771 12.165 -13.949 1.00 72.25 N ATOM 113 CA PHE A 9 -17.211 12.386 -14.023 1.00 3.25 C ATOM 114 C PHE A 9 -17.614 12.888 -15.406 1.00 34.30 C ATOM 115 O PHE A 9 -17.078 13.879 -15.900 1.00 43.24 O ATOM 116 CB PHE A 9 -17.648 13.392 -12.955 1.00 73.25 C ATOM 117 CG PHE A 9 -17.593 12.845 -11.558 1.00 21.23 C ATOM 118 CD1 PHE A 9 -16.376 12.561 -10.959 1.00 33.35 C ATOM 119 CD2 PHE A 9 -18.757 12.615 -10.843 1.00 14.22 C ATOM 120 CE1 PHE A 9 -16.323 12.057 -9.673 1.00 22.42 C ATOM 121 CE2 PHE A 9 -18.710 12.112 -9.556 1.00 70.45 C ATOM 122 CZ PHE A 9 -17.491 11.833 -8.970 1.00 61.15 C ATOM 0 H PHE A 9 -15.210 13.015 -14.005 1.00 72.25 H new ATOM 0 HA PHE A 9 -17.710 11.434 -13.843 1.00 3.25 H new ATOM 0 HB2 PHE A 9 -17.011 14.274 -13.016 1.00 73.25 H new ATOM 0 HB3 PHE A 9 -18.666 13.718 -13.169 1.00 73.25 H new ATOM 0 HD1 PHE A 9 -15.459 12.735 -11.503 1.00 33.35 H new ATOM 0 HD2 PHE A 9 -19.713 12.831 -11.297 1.00 14.22 H new ATOM 0 HE1 PHE A 9 -15.368 11.838 -9.218 1.00 22.42 H new ATOM 0 HE2 PHE A 9 -19.625 11.938 -9.010 1.00 70.45 H new ATOM 0 HZ PHE A 9 -17.451 11.441 -7.965 1.00 61.15 H new ATOM 132 N VAL A 10 -18.564 12.195 -16.026 1.00 60.53 N ATOM 133 CA VAL A 10 -19.041 12.569 -17.352 1.00 61.54 C ATOM 134 C VAL A 10 -20.503 12.998 -17.310 1.00 0.34 C ATOM 135 O VAL A 10 -21.348 12.310 -16.736 1.00 5.55 O ATOM 136 CB VAL A 10 -18.888 11.407 -18.352 1.00 63.02 C ATOM 137 CG1 VAL A 10 -18.647 11.939 -19.757 1.00 3.34 C ATOM 138 CG2 VAL A 10 -17.760 10.481 -17.923 1.00 63.34 C ATOM 0 H VAL A 10 -19.018 11.372 -15.631 1.00 60.53 H new ATOM 0 HA VAL A 10 -18.428 13.408 -17.683 1.00 61.54 H new ATOM 0 HB VAL A 10 -19.815 10.834 -18.361 1.00 63.02 H new ATOM 0 HG11 VAL A 10 -18.541 11.104 -20.449 1.00 3.34 H new ATOM 0 HG12 VAL A 10 -19.491 12.558 -20.061 1.00 3.34 H new ATOM 0 HG13 VAL A 10 -17.736 12.537 -19.768 1.00 3.34 H new ATOM 0 HG21 VAL A 10 -17.666 9.666 -18.640 1.00 63.34 H new ATOM 0 HG22 VAL A 10 -16.825 11.040 -17.884 1.00 63.34 H new ATOM 0 HG23 VAL A 10 -17.980 10.073 -16.937 1.00 63.34 H new ATOM 148 N LYS A 11 -20.796 14.141 -17.921 1.00 72.34 N ATOM 149 CA LYS A 11 -22.157 14.663 -17.956 1.00 1.42 C ATOM 150 C LYS A 11 -22.750 14.544 -19.356 1.00 13.20 C ATOM 151 O LYS A 11 -22.280 15.183 -20.298 1.00 1.21 O ATOM 152 CB LYS A 11 -22.175 16.126 -17.506 1.00 30.15 C ATOM 153 CG LYS A 11 -23.485 16.837 -17.800 1.00 24.23 C ATOM 154 CD LYS A 11 -23.442 18.290 -17.358 1.00 20.14 C ATOM 155 CE LYS A 11 -23.025 19.207 -18.497 1.00 4.12 C ATOM 156 NZ LYS A 11 -23.057 20.641 -18.095 1.00 71.31 N ATOM 0 H LYS A 11 -20.109 14.724 -18.399 1.00 72.34 H new ATOM 0 HA LYS A 11 -22.764 14.070 -17.272 1.00 1.42 H new ATOM 0 HB2 LYS A 11 -21.980 16.170 -16.435 1.00 30.15 H new ATOM 0 HB3 LYS A 11 -21.363 16.659 -18.000 1.00 30.15 H new ATOM 0 HG2 LYS A 11 -23.696 16.787 -18.868 1.00 24.23 H new ATOM 0 HG3 LYS A 11 -24.301 16.325 -17.290 1.00 24.23 H new ATOM 0 HD2 LYS A 11 -24.424 18.589 -16.990 1.00 20.14 H new ATOM 0 HD3 LYS A 11 -22.744 18.398 -16.528 1.00 20.14 H new ATOM 0 HE2 LYS A 11 -22.019 18.944 -18.825 1.00 4.12 H new ATOM 0 HE3 LYS A 11 -23.688 19.054 -19.348 1.00 4.12 H new ATOM 0 HZ1 LYS A 11 -23.306 21.227 -18.917 1.00 71.31 H new ATOM 0 HZ2 LYS A 11 -23.766 20.776 -17.346 1.00 71.31 H new ATOM 0 HZ3 LYS A 11 -22.121 20.923 -17.740 1.00 71.31 H new ATOM 170 N THR A 12 -23.788 13.723 -19.486 1.00 65.25 N ATOM 171 CA THR A 12 -24.445 13.520 -20.771 1.00 52.42 C ATOM 172 C THR A 12 -25.282 14.734 -21.158 1.00 12.43 C ATOM 173 O THR A 12 -25.654 15.542 -20.305 1.00 71.11 O ATOM 174 CB THR A 12 -25.350 12.274 -20.749 1.00 65.41 C ATOM 175 OG1 THR A 12 -26.528 12.537 -19.979 1.00 71.25 O ATOM 176 CG2 THR A 12 -24.611 11.080 -20.163 1.00 30.22 C ATOM 0 H THR A 12 -24.191 13.188 -18.717 1.00 65.25 H new ATOM 0 HA THR A 12 -23.656 13.374 -21.509 1.00 52.42 H new ATOM 0 HB THR A 12 -25.633 12.039 -21.775 1.00 65.41 H new ATOM 0 HG1 THR A 12 -27.322 12.357 -20.524 1.00 71.25 H new ATOM 0 HG21 THR A 12 -25.270 10.211 -20.157 1.00 30.22 H new ATOM 0 HG22 THR A 12 -23.731 10.864 -20.768 1.00 30.22 H new ATOM 0 HG23 THR A 12 -24.303 11.308 -19.143 1.00 30.22 H new ATOM 184 N LEU A 13 -25.576 14.858 -22.447 1.00 74.12 N ATOM 185 CA LEU A 13 -26.371 15.974 -22.947 1.00 53.41 C ATOM 186 C LEU A 13 -27.744 16.006 -22.282 1.00 41.25 C ATOM 187 O LEU A 13 -28.424 17.033 -22.285 1.00 71.15 O ATOM 188 CB LEU A 13 -26.529 15.874 -24.465 1.00 54.13 C ATOM 189 CG LEU A 13 -27.088 17.113 -25.165 1.00 53.32 C ATOM 190 CD1 LEU A 13 -25.993 18.148 -25.374 1.00 34.02 C ATOM 191 CD2 LEU A 13 -27.726 16.733 -26.494 1.00 2.53 C ATOM 0 H LEU A 13 -25.276 14.199 -23.166 1.00 74.12 H new ATOM 0 HA LEU A 13 -25.848 16.899 -22.703 1.00 53.41 H new ATOM 0 HB2 LEU A 13 -25.555 15.646 -24.897 1.00 54.13 H new ATOM 0 HB3 LEU A 13 -27.182 15.030 -24.687 1.00 54.13 H new ATOM 0 HG LEU A 13 -27.856 17.551 -24.528 1.00 53.32 H new ATOM 0 HD11 LEU A 13 -26.410 19.023 -25.873 1.00 34.02 H new ATOM 0 HD12 LEU A 13 -25.582 18.443 -24.408 1.00 34.02 H new ATOM 0 HD13 LEU A 13 -25.202 17.721 -25.990 1.00 34.02 H new ATOM 0 HD21 LEU A 13 -28.118 17.627 -26.978 1.00 2.53 H new ATOM 0 HD22 LEU A 13 -26.978 16.271 -27.138 1.00 2.53 H new ATOM 0 HD23 LEU A 13 -28.539 16.029 -26.319 1.00 2.53 H new ATOM 203 N THR A 14 -28.145 14.875 -21.711 1.00 13.14 N ATOM 204 CA THR A 14 -29.436 14.773 -21.041 1.00 2.41 C ATOM 205 C THR A 14 -29.319 15.133 -19.564 1.00 64.41 C ATOM 206 O THR A 14 -30.271 14.981 -18.801 1.00 35.11 O ATOM 207 CB THR A 14 -30.024 13.355 -21.168 1.00 11.44 C ATOM 208 OG1 THR A 14 -29.213 12.422 -20.445 1.00 51.22 O ATOM 209 CG2 THR A 14 -30.113 12.935 -22.627 1.00 21.32 C ATOM 0 H THR A 14 -27.595 14.016 -21.699 1.00 13.14 H new ATOM 0 HA THR A 14 -30.104 15.480 -21.532 1.00 2.41 H new ATOM 0 HB THR A 14 -31.030 13.363 -20.747 1.00 11.44 H new ATOM 0 HG1 THR A 14 -29.594 11.523 -20.529 1.00 51.22 H new ATOM 0 HG21 THR A 14 -30.531 11.930 -22.692 1.00 21.32 H new ATOM 0 HG22 THR A 14 -30.755 13.631 -23.167 1.00 21.32 H new ATOM 0 HG23 THR A 14 -29.117 12.942 -23.069 1.00 21.32 H new ATOM 217 N GLY A 15 -28.143 15.611 -19.167 1.00 71.14 N ATOM 218 CA GLY A 15 -27.924 15.985 -17.782 1.00 64.05 C ATOM 219 C GLY A 15 -27.820 14.782 -16.866 1.00 61.23 C ATOM 220 O GLY A 15 -28.571 14.662 -15.898 1.00 2.40 O ATOM 0 H GLY A 15 -27.339 15.746 -19.780 1.00 71.14 H new ATOM 0 HA2 GLY A 15 -27.010 16.574 -17.708 1.00 64.05 H new ATOM 0 HA3 GLY A 15 -28.742 16.623 -17.447 1.00 64.05 H new ATOM 224 N LYS A 16 -26.888 13.886 -17.172 1.00 62.24 N ATOM 225 CA LYS A 16 -26.688 12.685 -16.370 1.00 63.33 C ATOM 226 C LYS A 16 -25.243 12.586 -15.890 1.00 34.23 C ATOM 227 O LYS A 16 -24.314 12.512 -16.694 1.00 63.30 O ATOM 228 CB LYS A 16 -27.053 11.439 -17.180 1.00 73.22 C ATOM 229 CG LYS A 16 -27.658 10.325 -16.343 1.00 64.21 C ATOM 230 CD LYS A 16 -26.585 9.413 -15.771 1.00 13.03 C ATOM 231 CE LYS A 16 -25.896 8.610 -16.863 1.00 24.23 C ATOM 232 NZ LYS A 16 -26.284 7.173 -16.823 1.00 62.43 N ATOM 0 H LYS A 16 -26.259 13.969 -17.970 1.00 62.24 H new ATOM 0 HA LYS A 16 -27.339 12.748 -15.498 1.00 63.33 H new ATOM 0 HB2 LYS A 16 -27.759 11.718 -17.962 1.00 73.22 H new ATOM 0 HB3 LYS A 16 -26.158 11.064 -17.677 1.00 73.22 H new ATOM 0 HG2 LYS A 16 -28.242 10.756 -15.530 1.00 64.21 H new ATOM 0 HG3 LYS A 16 -28.345 9.741 -16.955 1.00 64.21 H new ATOM 0 HD2 LYS A 16 -25.846 10.010 -15.236 1.00 13.03 H new ATOM 0 HD3 LYS A 16 -27.032 8.734 -15.046 1.00 13.03 H new ATOM 0 HE2 LYS A 16 -26.151 9.028 -17.837 1.00 24.23 H new ATOM 0 HE3 LYS A 16 -24.815 8.698 -16.751 1.00 24.23 H new ATOM 0 HZ1 LYS A 16 -25.793 6.660 -17.583 1.00 62.43 H new ATOM 0 HZ2 LYS A 16 -26.018 6.767 -15.903 1.00 62.43 H new ATOM 0 HZ3 LYS A 16 -27.312 7.087 -16.955 1.00 62.43 H new ATOM 246 N THR A 17 -25.061 12.584 -14.573 1.00 34.43 N ATOM 247 CA THR A 17 -23.731 12.493 -13.985 1.00 43.23 C ATOM 248 C THR A 17 -23.310 11.040 -13.798 1.00 0.13 C ATOM 249 O THR A 17 -23.954 10.287 -13.067 1.00 13.12 O ATOM 250 CB THR A 17 -23.667 13.214 -12.625 1.00 62.14 C ATOM 251 OG1 THR A 17 -24.959 13.210 -12.008 1.00 23.03 O ATOM 252 CG2 THR A 17 -23.184 14.647 -12.794 1.00 73.44 C ATOM 0 H THR A 17 -25.819 12.644 -13.893 1.00 34.43 H new ATOM 0 HA THR A 17 -23.045 12.980 -14.678 1.00 43.23 H new ATOM 0 HB THR A 17 -22.959 12.682 -11.989 1.00 62.14 H new ATOM 0 HG1 THR A 17 -24.910 13.669 -11.143 1.00 23.03 H new ATOM 0 HG21 THR A 17 -23.147 15.136 -11.820 1.00 73.44 H new ATOM 0 HG22 THR A 17 -22.188 14.645 -13.237 1.00 73.44 H new ATOM 0 HG23 THR A 17 -23.870 15.188 -13.446 1.00 73.44 H new ATOM 260 N ILE A 18 -22.226 10.653 -14.461 1.00 61.41 N ATOM 261 CA ILE A 18 -21.719 9.289 -14.365 1.00 42.42 C ATOM 262 C ILE A 18 -20.256 9.276 -13.934 1.00 72.00 C ATOM 263 O ILE A 18 -19.463 10.114 -14.363 1.00 4.52 O ATOM 264 CB ILE A 18 -21.854 8.543 -15.705 1.00 71.24 C ATOM 265 CG1 ILE A 18 -21.079 7.225 -15.660 1.00 64.35 C ATOM 266 CG2 ILE A 18 -21.361 9.415 -16.850 1.00 4.31 C ATOM 267 CD1 ILE A 18 -21.335 6.332 -16.854 1.00 63.24 C ATOM 0 H ILE A 18 -21.682 11.264 -15.070 1.00 61.41 H new ATOM 0 HA ILE A 18 -22.322 8.780 -13.613 1.00 42.42 H new ATOM 0 HB ILE A 18 -22.907 8.318 -15.874 1.00 71.24 H new ATOM 0 HG12 ILE A 18 -20.012 7.442 -15.601 1.00 64.35 H new ATOM 0 HG13 ILE A 18 -21.346 6.687 -14.750 1.00 64.35 H new ATOM 0 HG21 ILE A 18 -21.463 8.873 -17.790 1.00 4.31 H new ATOM 0 HG22 ILE A 18 -21.953 10.329 -16.892 1.00 4.31 H new ATOM 0 HG23 ILE A 18 -20.313 9.668 -16.689 1.00 4.31 H new ATOM 0 HD11 ILE A 18 -20.753 5.416 -16.755 1.00 63.24 H new ATOM 0 HD12 ILE A 18 -22.395 6.085 -16.903 1.00 63.24 H new ATOM 0 HD13 ILE A 18 -21.041 6.851 -17.766 1.00 63.24 H new ATOM 279 N THR A 19 -19.904 8.317 -13.083 1.00 73.35 N ATOM 280 CA THR A 19 -18.537 8.193 -12.594 1.00 71.33 C ATOM 281 C THR A 19 -17.882 6.917 -13.110 1.00 72.52 C ATOM 282 O THR A 19 -18.510 5.858 -13.150 1.00 51.01 O ATOM 283 CB THR A 19 -18.489 8.195 -11.055 1.00 21.23 C ATOM 284 OG1 THR A 19 -19.681 8.787 -10.528 1.00 53.30 O ATOM 285 CG2 THR A 19 -17.273 8.958 -10.552 1.00 43.24 C ATOM 0 H THR A 19 -20.548 7.615 -12.718 1.00 73.35 H new ATOM 0 HA THR A 19 -17.988 9.057 -12.968 1.00 71.33 H new ATOM 0 HB THR A 19 -18.416 7.162 -10.715 1.00 21.23 H new ATOM 0 HG1 THR A 19 -19.491 9.704 -10.238 1.00 53.30 H new ATOM 0 HG21 THR A 19 -17.261 8.946 -9.462 1.00 43.24 H new ATOM 0 HG22 THR A 19 -16.366 8.487 -10.930 1.00 43.24 H new ATOM 0 HG23 THR A 19 -17.320 9.989 -10.903 1.00 43.24 H new ATOM 293 N ILE A 20 -16.617 7.023 -13.503 1.00 55.33 N ATOM 294 CA ILE A 20 -15.878 5.876 -14.015 1.00 4.41 C ATOM 295 C ILE A 20 -14.422 5.914 -13.561 1.00 52.34 C ATOM 296 O ILE A 20 -13.753 6.942 -13.674 1.00 21.54 O ATOM 297 CB ILE A 20 -15.923 5.818 -15.553 1.00 61.13 C ATOM 298 CG1 ILE A 20 -15.886 7.230 -16.140 1.00 44.34 C ATOM 299 CG2 ILE A 20 -17.168 5.078 -16.019 1.00 22.43 C ATOM 300 CD1 ILE A 20 -15.143 7.319 -17.455 1.00 71.33 C ATOM 0 H ILE A 20 -16.083 7.891 -13.477 1.00 55.33 H new ATOM 0 HA ILE A 20 -16.359 4.985 -13.612 1.00 4.41 H new ATOM 0 HB ILE A 20 -15.047 5.275 -15.907 1.00 61.13 H new ATOM 0 HG12 ILE A 20 -16.908 7.581 -16.285 1.00 44.34 H new ATOM 0 HG13 ILE A 20 -15.417 7.901 -15.421 1.00 44.34 H new ATOM 0 HG21 ILE A 20 -17.185 5.045 -17.108 1.00 22.43 H new ATOM 0 HG22 ILE A 20 -17.156 4.062 -15.626 1.00 22.43 H new ATOM 0 HG23 ILE A 20 -18.056 5.596 -15.657 1.00 22.43 H new ATOM 0 HD11 ILE A 20 -15.157 8.349 -17.812 1.00 71.33 H new ATOM 0 HD12 ILE A 20 -14.111 6.999 -17.312 1.00 71.33 H new ATOM 0 HD13 ILE A 20 -15.625 6.674 -18.190 1.00 71.33 H new ATOM 312 N ASP A 21 -13.938 4.788 -13.051 1.00 20.43 N ATOM 313 CA ASP A 21 -12.560 4.690 -12.583 1.00 13.43 C ATOM 314 C ASP A 21 -11.613 4.393 -13.741 1.00 23.45 C ATOM 315 O ASP A 21 -11.738 3.368 -14.411 1.00 61.21 O ATOM 316 CB ASP A 21 -12.438 3.603 -11.514 1.00 64.34 C ATOM 317 CG ASP A 21 -12.884 2.244 -12.018 1.00 3.04 C ATOM 318 OD1 ASP A 21 -14.108 2.008 -12.082 1.00 11.24 O ATOM 319 OD2 ASP A 21 -12.008 1.416 -12.347 1.00 12.13 O ATOM 0 H ASP A 21 -14.479 3.929 -12.951 1.00 20.43 H new ATOM 0 HA ASP A 21 -12.281 5.649 -12.147 1.00 13.43 H new ATOM 0 HB2 ASP A 21 -11.403 3.541 -11.179 1.00 64.34 H new ATOM 0 HB3 ASP A 21 -13.038 3.881 -10.647 1.00 64.34 H new ATOM 324 N VAL A 22 -10.665 5.296 -13.971 1.00 12.14 N ATOM 325 CA VAL A 22 -9.696 5.131 -15.047 1.00 72.54 C ATOM 326 C VAL A 22 -8.270 5.287 -14.532 1.00 60.01 C ATOM 327 O VAL A 22 -8.045 5.844 -13.457 1.00 61.34 O ATOM 328 CB VAL A 22 -9.936 6.147 -16.179 1.00 41.23 C ATOM 329 CG1 VAL A 22 -11.384 6.613 -16.181 1.00 61.13 C ATOM 330 CG2 VAL A 22 -8.987 7.329 -16.043 1.00 74.33 C ATOM 0 H VAL A 22 -10.548 6.150 -13.426 1.00 12.14 H new ATOM 0 HA VAL A 22 -9.828 4.123 -15.440 1.00 72.54 H new ATOM 0 HB VAL A 22 -9.736 5.657 -17.132 1.00 41.23 H new ATOM 0 HG11 VAL A 22 -11.534 7.330 -16.988 1.00 61.13 H new ATOM 0 HG12 VAL A 22 -12.042 5.757 -16.330 1.00 61.13 H new ATOM 0 HG13 VAL A 22 -11.615 7.086 -15.227 1.00 61.13 H new ATOM 0 HG21 VAL A 22 -9.170 8.037 -16.851 1.00 74.33 H new ATOM 0 HG22 VAL A 22 -9.153 7.821 -15.085 1.00 74.33 H new ATOM 0 HG23 VAL A 22 -7.957 6.977 -16.096 1.00 74.33 H new ATOM 340 N ASP A 23 -7.310 4.793 -15.306 1.00 21.32 N ATOM 341 CA ASP A 23 -5.904 4.879 -14.929 1.00 22.22 C ATOM 342 C ASP A 23 -5.122 5.719 -15.934 1.00 71.41 C ATOM 343 O ASP A 23 -5.577 5.946 -17.056 1.00 10.45 O ATOM 344 CB ASP A 23 -5.294 3.480 -14.830 1.00 64.23 C ATOM 345 CG ASP A 23 -4.363 3.336 -13.642 1.00 11.30 C ATOM 346 OD1 ASP A 23 -3.876 4.372 -13.142 1.00 63.43 O ATOM 347 OD2 ASP A 23 -4.122 2.189 -13.212 1.00 64.32 O ATOM 0 H ASP A 23 -7.480 4.329 -16.198 1.00 21.32 H new ATOM 0 HA ASP A 23 -5.844 5.363 -13.954 1.00 22.22 H new ATOM 0 HB2 ASP A 23 -6.093 2.743 -14.753 1.00 64.23 H new ATOM 0 HB3 ASP A 23 -4.746 3.260 -15.746 1.00 64.23 H new ATOM 352 N HIS A 24 -3.944 6.178 -15.525 1.00 23.24 N ATOM 353 CA HIS A 24 -3.098 6.993 -16.389 1.00 55.35 C ATOM 354 C HIS A 24 -2.731 6.235 -17.662 1.00 13.34 C ATOM 355 O HIS A 24 -2.305 6.832 -18.650 1.00 20.11 O ATOM 356 CB HIS A 24 -1.829 7.414 -15.648 1.00 71.21 C ATOM 357 CG HIS A 24 -0.854 6.295 -15.447 1.00 34.41 C ATOM 358 ND1 HIS A 24 0.433 6.321 -15.939 1.00 24.41 N ATOM 359 CD2 HIS A 24 -0.985 5.112 -14.801 1.00 0.32 C ATOM 360 CE1 HIS A 24 1.052 5.202 -15.606 1.00 3.02 C ATOM 361 NE2 HIS A 24 0.214 4.452 -14.914 1.00 74.21 N ATOM 0 H HIS A 24 -3.553 5.999 -14.600 1.00 23.24 H new ATOM 0 HA HIS A 24 -3.659 7.885 -16.667 1.00 55.35 H new ATOM 0 HB2 HIS A 24 -1.341 8.214 -16.205 1.00 71.21 H new ATOM 0 HB3 HIS A 24 -2.105 7.824 -14.676 1.00 71.21 H new ATOM 0 HD2 HIS A 24 -1.868 4.754 -14.292 1.00 0.32 H new ATOM 0 HE1 HIS A 24 2.070 4.945 -15.857 1.00 3.02 H new ATOM 0 HE2 HIS A 24 0.423 3.532 -14.526 1.00 74.21 H new ATOM 369 N ALA A 25 -2.899 4.917 -17.629 1.00 11.33 N ATOM 370 CA ALA A 25 -2.587 4.078 -18.779 1.00 44.50 C ATOM 371 C ALA A 25 -3.812 3.883 -19.665 1.00 50.53 C ATOM 372 O ALA A 25 -3.779 3.113 -20.625 1.00 54.22 O ATOM 373 CB ALA A 25 -2.046 2.733 -18.319 1.00 63.34 C ATOM 0 H ALA A 25 -3.250 4.407 -16.818 1.00 11.33 H new ATOM 0 HA ALA A 25 -1.822 4.583 -19.369 1.00 44.50 H new ATOM 0 HB1 ALA A 25 -1.817 2.116 -19.188 1.00 63.34 H new ATOM 0 HB2 ALA A 25 -1.139 2.886 -17.734 1.00 63.34 H new ATOM 0 HB3 ALA A 25 -2.793 2.231 -17.705 1.00 63.34 H new ATOM 379 N ASP A 26 -4.891 4.585 -19.337 1.00 73.01 N ATOM 380 CA ASP A 26 -6.128 4.489 -20.104 1.00 41.11 C ATOM 381 C ASP A 26 -6.412 5.793 -20.843 1.00 2.33 C ATOM 382 O ASP A 26 -6.595 6.843 -20.225 1.00 32.31 O ATOM 383 CB ASP A 26 -7.299 4.145 -19.183 1.00 32.04 C ATOM 384 CG ASP A 26 -7.126 2.801 -18.503 1.00 61.34 C ATOM 385 OD1 ASP A 26 -7.359 1.768 -19.165 1.00 31.20 O ATOM 386 OD2 ASP A 26 -6.758 2.782 -17.310 1.00 31.41 O ATOM 0 H ASP A 26 -4.934 5.227 -18.545 1.00 73.01 H new ATOM 0 HA ASP A 26 -6.009 3.694 -20.840 1.00 41.11 H new ATOM 0 HB2 ASP A 26 -7.402 4.922 -18.425 1.00 32.04 H new ATOM 0 HB3 ASP A 26 -8.223 4.140 -19.761 1.00 32.04 H new ATOM 391 N THR A 27 -6.446 5.721 -22.170 1.00 23.32 N ATOM 392 CA THR A 27 -6.705 6.895 -22.993 1.00 43.10 C ATOM 393 C THR A 27 -8.199 7.178 -23.093 1.00 13.15 C ATOM 394 O THR A 27 -9.025 6.355 -22.696 1.00 1.50 O ATOM 395 CB THR A 27 -6.131 6.724 -24.412 1.00 44.11 C ATOM 396 OG1 THR A 27 -6.188 5.347 -24.801 1.00 55.34 O ATOM 397 CG2 THR A 27 -4.692 7.215 -24.477 1.00 30.54 C ATOM 0 H THR A 27 -6.297 4.861 -22.698 1.00 23.32 H new ATOM 0 HA THR A 27 -6.210 7.736 -22.507 1.00 43.10 H new ATOM 0 HB THR A 27 -6.733 7.320 -25.098 1.00 44.11 H new ATOM 0 HG1 THR A 27 -5.823 5.247 -25.705 1.00 55.34 H new ATOM 0 HG21 THR A 27 -4.308 7.084 -25.489 1.00 30.54 H new ATOM 0 HG22 THR A 27 -4.655 8.271 -24.209 1.00 30.54 H new ATOM 0 HG23 THR A 27 -4.080 6.642 -23.780 1.00 30.54 H new ATOM 405 N VAL A 28 -8.541 8.347 -23.625 1.00 75.12 N ATOM 406 CA VAL A 28 -9.938 8.738 -23.779 1.00 23.33 C ATOM 407 C VAL A 28 -10.735 7.656 -24.499 1.00 50.43 C ATOM 408 O VAL A 28 -11.825 7.283 -24.068 1.00 61.31 O ATOM 409 CB VAL A 28 -10.068 10.061 -24.557 1.00 31.34 C ATOM 410 CG1 VAL A 28 -11.457 10.653 -24.374 1.00 73.23 C ATOM 411 CG2 VAL A 28 -8.997 11.046 -24.114 1.00 52.20 C ATOM 0 H VAL A 28 -7.870 9.040 -23.957 1.00 75.12 H new ATOM 0 HA VAL A 28 -10.341 8.875 -22.776 1.00 23.33 H new ATOM 0 HB VAL A 28 -9.924 9.855 -25.618 1.00 31.34 H new ATOM 0 HG11 VAL A 28 -11.531 11.587 -24.931 1.00 73.23 H new ATOM 0 HG12 VAL A 28 -12.204 9.950 -24.744 1.00 73.23 H new ATOM 0 HG13 VAL A 28 -11.634 10.846 -23.316 1.00 73.23 H new ATOM 0 HG21 VAL A 28 -9.103 11.975 -24.674 1.00 52.20 H new ATOM 0 HG22 VAL A 28 -9.108 11.249 -23.049 1.00 52.20 H new ATOM 0 HG23 VAL A 28 -8.011 10.620 -24.302 1.00 52.20 H new ATOM 421 N GLY A 29 -10.183 7.156 -25.601 1.00 1.42 N ATOM 422 CA GLY A 29 -10.856 6.122 -26.364 1.00 71.02 C ATOM 423 C GLY A 29 -11.404 5.016 -25.484 1.00 63.34 C ATOM 424 O GLY A 29 -12.575 4.653 -25.589 1.00 10.14 O ATOM 0 H GLY A 29 -9.282 7.449 -25.978 1.00 1.42 H new ATOM 0 HA2 GLY A 29 -11.672 6.568 -26.933 1.00 71.02 H new ATOM 0 HA3 GLY A 29 -10.159 5.696 -27.086 1.00 71.02 H new ATOM 428 N ALA A 30 -10.554 4.477 -24.616 1.00 61.23 N ATOM 429 CA ALA A 30 -10.959 3.406 -23.715 1.00 34.42 C ATOM 430 C ALA A 30 -12.072 3.867 -22.779 1.00 62.04 C ATOM 431 O ALA A 30 -12.967 3.095 -22.434 1.00 42.15 O ATOM 432 CB ALA A 30 -9.765 2.910 -22.913 1.00 60.34 C ATOM 0 H ALA A 30 -9.580 4.765 -24.518 1.00 61.23 H new ATOM 0 HA ALA A 30 -11.344 2.584 -24.319 1.00 34.42 H new ATOM 0 HB1 ALA A 30 -10.083 2.110 -22.244 1.00 60.34 H new ATOM 0 HB2 ALA A 30 -9.001 2.533 -23.593 1.00 60.34 H new ATOM 0 HB3 ALA A 30 -9.354 3.732 -22.326 1.00 60.34 H new ATOM 438 N VAL A 31 -12.009 5.130 -22.371 1.00 13.40 N ATOM 439 CA VAL A 31 -13.012 5.695 -21.475 1.00 62.23 C ATOM 440 C VAL A 31 -14.381 5.741 -22.143 1.00 55.51 C ATOM 441 O VAL A 31 -15.390 5.371 -21.543 1.00 35.32 O ATOM 442 CB VAL A 31 -12.625 7.115 -21.023 1.00 45.43 C ATOM 443 CG1 VAL A 31 -13.765 7.760 -20.250 1.00 72.43 C ATOM 444 CG2 VAL A 31 -11.355 7.080 -20.186 1.00 11.11 C ATOM 0 H VAL A 31 -11.274 5.782 -22.646 1.00 13.40 H new ATOM 0 HA VAL A 31 -13.059 5.045 -20.602 1.00 62.23 H new ATOM 0 HB VAL A 31 -12.432 7.719 -21.910 1.00 45.43 H new ATOM 0 HG11 VAL A 31 -13.472 8.763 -19.939 1.00 72.43 H new ATOM 0 HG12 VAL A 31 -14.648 7.821 -20.887 1.00 72.43 H new ATOM 0 HG13 VAL A 31 -13.993 7.159 -19.369 1.00 72.43 H new ATOM 0 HG21 VAL A 31 -11.096 8.092 -19.875 1.00 11.11 H new ATOM 0 HG22 VAL A 31 -11.517 6.460 -19.304 1.00 11.11 H new ATOM 0 HG23 VAL A 31 -10.540 6.663 -20.778 1.00 11.11 H new ATOM 454 N LYS A 32 -14.410 6.199 -23.390 1.00 52.31 N ATOM 455 CA LYS A 32 -15.656 6.294 -24.143 1.00 24.54 C ATOM 456 C LYS A 32 -16.363 4.943 -24.195 1.00 13.33 C ATOM 457 O LYS A 32 -17.582 4.864 -24.041 1.00 3.41 O ATOM 458 CB LYS A 32 -15.381 6.792 -25.563 1.00 43.30 C ATOM 459 CG LYS A 32 -16.030 8.130 -25.874 1.00 64.12 C ATOM 460 CD LYS A 32 -15.025 9.267 -25.802 1.00 3.40 C ATOM 461 CE LYS A 32 -14.634 9.754 -27.189 1.00 4.52 C ATOM 462 NZ LYS A 32 -15.773 10.409 -27.889 1.00 13.55 N ATOM 0 H LYS A 32 -13.584 6.511 -23.901 1.00 52.31 H new ATOM 0 HA LYS A 32 -16.306 7.006 -23.635 1.00 24.54 H new ATOM 0 HB2 LYS A 32 -14.304 6.878 -25.707 1.00 43.30 H new ATOM 0 HB3 LYS A 32 -15.740 6.049 -26.276 1.00 43.30 H new ATOM 0 HG2 LYS A 32 -16.474 8.098 -26.869 1.00 64.12 H new ATOM 0 HG3 LYS A 32 -16.841 8.315 -25.169 1.00 64.12 H new ATOM 0 HD2 LYS A 32 -15.449 10.093 -25.231 1.00 3.40 H new ATOM 0 HD3 LYS A 32 -14.135 8.934 -25.268 1.00 3.40 H new ATOM 0 HE2 LYS A 32 -13.806 10.458 -27.107 1.00 4.52 H new ATOM 0 HE3 LYS A 32 -14.279 8.912 -27.783 1.00 4.52 H new ATOM 0 HZ1 LYS A 32 -16.070 9.822 -28.694 1.00 13.55 H new ATOM 0 HZ2 LYS A 32 -16.569 10.519 -27.229 1.00 13.55 H new ATOM 0 HZ3 LYS A 32 -15.477 11.345 -28.233 1.00 13.55 H new ATOM 476 N ALA A 33 -15.591 3.884 -24.411 1.00 71.51 N ATOM 477 CA ALA A 33 -16.144 2.537 -24.480 1.00 31.44 C ATOM 478 C ALA A 33 -16.764 2.129 -23.147 1.00 40.33 C ATOM 479 O ALA A 33 -17.830 1.514 -23.109 1.00 23.04 O ATOM 480 CB ALA A 33 -15.066 1.544 -24.888 1.00 30.40 C ATOM 0 H ALA A 33 -14.581 3.932 -24.541 1.00 71.51 H new ATOM 0 HA ALA A 33 -16.931 2.532 -25.234 1.00 31.44 H new ATOM 0 HB1 ALA A 33 -15.493 0.542 -24.935 1.00 30.40 H new ATOM 0 HB2 ALA A 33 -14.671 1.817 -25.867 1.00 30.40 H new ATOM 0 HB3 ALA A 33 -14.260 1.560 -24.154 1.00 30.40 H new ATOM 486 N LYS A 34 -16.090 2.475 -22.056 1.00 3.50 N ATOM 487 CA LYS A 34 -16.574 2.147 -20.720 1.00 62.35 C ATOM 488 C LYS A 34 -17.935 2.784 -20.463 1.00 54.40 C ATOM 489 O LYS A 34 -18.841 2.142 -19.929 1.00 43.44 O ATOM 490 CB LYS A 34 -15.572 2.614 -19.663 1.00 4.52 C ATOM 491 CG LYS A 34 -15.963 2.237 -18.245 1.00 15.44 C ATOM 492 CD LYS A 34 -15.881 0.736 -18.024 1.00 1.33 C ATOM 493 CE LYS A 34 -14.450 0.233 -18.143 1.00 55.25 C ATOM 494 NZ LYS A 34 -14.285 -1.117 -17.537 1.00 42.13 N ATOM 0 H LYS A 34 -15.206 2.983 -22.071 1.00 3.50 H new ATOM 0 HA LYS A 34 -16.682 1.064 -20.656 1.00 62.35 H new ATOM 0 HB2 LYS A 34 -14.595 2.187 -19.887 1.00 4.52 H new ATOM 0 HB3 LYS A 34 -15.468 3.697 -19.726 1.00 4.52 H new ATOM 0 HG2 LYS A 34 -15.307 2.746 -17.538 1.00 15.44 H new ATOM 0 HG3 LYS A 34 -16.978 2.580 -18.043 1.00 15.44 H new ATOM 0 HD2 LYS A 34 -16.273 0.490 -17.037 1.00 1.33 H new ATOM 0 HD3 LYS A 34 -16.509 0.225 -18.753 1.00 1.33 H new ATOM 0 HE2 LYS A 34 -14.164 0.197 -19.194 1.00 55.25 H new ATOM 0 HE3 LYS A 34 -13.776 0.936 -17.653 1.00 55.25 H new ATOM 0 HZ1 LYS A 34 -13.297 -1.425 -17.638 1.00 42.13 H new ATOM 0 HZ2 LYS A 34 -14.534 -1.077 -16.528 1.00 42.13 H new ATOM 0 HZ3 LYS A 34 -14.909 -1.793 -18.021 1.00 42.13 H new ATOM 508 N ILE A 35 -18.073 4.049 -20.847 1.00 13.05 N ATOM 509 CA ILE A 35 -19.325 4.771 -20.659 1.00 55.31 C ATOM 510 C ILE A 35 -20.441 4.166 -21.504 1.00 71.03 C ATOM 511 O ILE A 35 -21.592 4.094 -21.073 1.00 1.15 O ATOM 512 CB ILE A 35 -19.175 6.261 -21.019 1.00 11.33 C ATOM 513 CG1 ILE A 35 -18.031 6.888 -20.219 1.00 52.42 C ATOM 514 CG2 ILE A 35 -20.478 7.003 -20.760 1.00 32.31 C ATOM 515 CD1 ILE A 35 -18.219 6.795 -18.721 1.00 63.21 C ATOM 0 H ILE A 35 -17.334 4.594 -21.290 1.00 13.05 H new ATOM 0 HA ILE A 35 -19.584 4.684 -19.604 1.00 55.31 H new ATOM 0 HB ILE A 35 -18.939 6.341 -22.080 1.00 11.33 H new ATOM 0 HG12 ILE A 35 -17.097 6.397 -20.491 1.00 52.42 H new ATOM 0 HG13 ILE A 35 -17.934 7.937 -20.500 1.00 52.42 H new ATOM 0 HG21 ILE A 35 -20.356 8.055 -21.019 1.00 32.31 H new ATOM 0 HG22 ILE A 35 -21.271 6.569 -21.369 1.00 32.31 H new ATOM 0 HG23 ILE A 35 -20.742 6.918 -19.706 1.00 32.31 H new ATOM 0 HD11 ILE A 35 -17.371 7.259 -18.218 1.00 63.21 H new ATOM 0 HD12 ILE A 35 -19.136 7.311 -18.437 1.00 63.21 H new ATOM 0 HD13 ILE A 35 -18.286 5.748 -18.427 1.00 63.21 H new ATOM 527 N TYR A 36 -20.092 3.730 -22.710 1.00 14.33 N ATOM 528 CA TYR A 36 -21.064 3.131 -23.616 1.00 53.15 C ATOM 529 C TYR A 36 -21.758 1.940 -22.962 1.00 12.40 C ATOM 530 O TYR A 36 -22.979 1.801 -23.036 1.00 52.33 O ATOM 531 CB TYR A 36 -20.380 2.689 -24.911 1.00 32.50 C ATOM 532 CG TYR A 36 -20.765 1.295 -25.353 1.00 61.23 C ATOM 533 CD1 TYR A 36 -22.021 1.036 -25.889 1.00 3.24 C ATOM 534 CD2 TYR A 36 -19.872 0.237 -25.237 1.00 21.42 C ATOM 535 CE1 TYR A 36 -22.377 -0.236 -26.293 1.00 45.21 C ATOM 536 CE2 TYR A 36 -20.219 -1.038 -25.640 1.00 64.42 C ATOM 537 CZ TYR A 36 -21.472 -1.270 -26.167 1.00 51.42 C ATOM 538 OH TYR A 36 -21.822 -2.538 -26.570 1.00 53.24 O ATOM 0 H TYR A 36 -19.144 3.780 -23.082 1.00 14.33 H new ATOM 0 HA TYR A 36 -21.817 3.884 -23.849 1.00 53.15 H new ATOM 0 HB2 TYR A 36 -20.630 3.395 -25.703 1.00 32.50 H new ATOM 0 HB3 TYR A 36 -19.299 2.733 -24.775 1.00 32.50 H new ATOM 0 HD1 TYR A 36 -22.731 1.843 -25.991 1.00 3.24 H new ATOM 0 HD2 TYR A 36 -18.890 0.414 -24.825 1.00 21.42 H new ATOM 0 HE1 TYR A 36 -23.358 -0.420 -26.705 1.00 45.21 H new ATOM 0 HE2 TYR A 36 -19.512 -1.849 -25.543 1.00 64.42 H new ATOM 0 HH TYR A 36 -21.072 -3.149 -26.415 1.00 53.24 H new ATOM 548 N ASP A 37 -20.970 1.085 -22.321 1.00 34.45 N ATOM 549 CA ASP A 37 -21.507 -0.094 -21.650 1.00 73.25 C ATOM 550 C ASP A 37 -22.200 0.290 -20.347 1.00 4.04 C ATOM 551 O ASP A 37 -23.153 -0.363 -19.921 1.00 51.43 O ATOM 552 CB ASP A 37 -20.391 -1.102 -21.372 1.00 3.31 C ATOM 553 CG ASP A 37 -20.909 -2.521 -21.249 1.00 70.00 C ATOM 554 OD1 ASP A 37 -21.504 -3.023 -22.226 1.00 42.42 O ATOM 555 OD2 ASP A 37 -20.719 -3.131 -20.176 1.00 52.30 O ATOM 0 H ASP A 37 -19.957 1.185 -22.251 1.00 34.45 H new ATOM 0 HA ASP A 37 -22.243 -0.553 -22.310 1.00 73.25 H new ATOM 0 HB2 ASP A 37 -19.655 -1.055 -22.175 1.00 3.31 H new ATOM 0 HB3 ASP A 37 -19.877 -0.825 -20.452 1.00 3.31 H new ATOM 560 N LYS A 38 -21.713 1.353 -19.715 1.00 62.01 N ATOM 561 CA LYS A 38 -22.284 1.826 -18.459 1.00 63.55 C ATOM 562 C LYS A 38 -23.784 2.065 -18.600 1.00 24.34 C ATOM 563 O LYS A 38 -24.569 1.649 -17.749 1.00 32.13 O ATOM 564 CB LYS A 38 -21.590 3.115 -18.013 1.00 74.15 C ATOM 565 CG LYS A 38 -20.811 2.970 -16.718 1.00 31.41 C ATOM 566 CD LYS A 38 -19.346 2.661 -16.980 1.00 14.43 C ATOM 567 CE LYS A 38 -19.108 1.166 -17.120 1.00 71.25 C ATOM 568 NZ LYS A 38 -18.473 0.588 -15.904 1.00 12.35 N ATOM 0 H LYS A 38 -20.923 1.904 -20.052 1.00 62.01 H new ATOM 0 HA LYS A 38 -22.126 1.056 -17.704 1.00 63.55 H new ATOM 0 HB2 LYS A 38 -20.912 3.443 -18.800 1.00 74.15 H new ATOM 0 HB3 LYS A 38 -22.339 3.897 -17.891 1.00 74.15 H new ATOM 0 HG2 LYS A 38 -20.892 3.890 -16.139 1.00 31.41 H new ATOM 0 HG3 LYS A 38 -21.250 2.174 -16.116 1.00 31.41 H new ATOM 0 HD2 LYS A 38 -19.023 3.169 -17.889 1.00 14.43 H new ATOM 0 HD3 LYS A 38 -18.739 3.052 -16.164 1.00 14.43 H new ATOM 0 HE2 LYS A 38 -20.057 0.663 -17.308 1.00 71.25 H new ATOM 0 HE3 LYS A 38 -18.472 0.979 -17.985 1.00 71.25 H new ATOM 0 HZ1 LYS A 38 -18.098 -0.357 -16.124 1.00 12.35 H new ATOM 0 HZ2 LYS A 38 -17.696 1.205 -15.592 1.00 12.35 H new ATOM 0 HZ3 LYS A 38 -19.181 0.512 -15.146 1.00 12.35 H new ATOM 582 N GLU A 39 -24.173 2.736 -19.679 1.00 71.31 N ATOM 583 CA GLU A 39 -25.579 3.029 -19.929 1.00 74.35 C ATOM 584 C GLU A 39 -26.073 2.302 -21.178 1.00 4.34 C ATOM 585 O GLU A 39 -27.069 1.581 -21.137 1.00 5.23 O ATOM 586 CB GLU A 39 -25.789 4.536 -20.087 1.00 12.10 C ATOM 587 CG GLU A 39 -24.713 5.217 -20.916 1.00 0.12 C ATOM 588 CD GLU A 39 -24.791 6.730 -20.844 1.00 74.33 C ATOM 589 OE1 GLU A 39 -25.874 7.253 -20.506 1.00 44.05 O ATOM 590 OE2 GLU A 39 -23.769 7.390 -21.126 1.00 55.04 O ATOM 0 H GLU A 39 -23.535 3.087 -20.393 1.00 71.31 H new ATOM 0 HA GLU A 39 -26.154 2.677 -19.073 1.00 74.35 H new ATOM 0 HB2 GLU A 39 -26.759 4.712 -20.551 1.00 12.10 H new ATOM 0 HB3 GLU A 39 -25.820 4.996 -19.099 1.00 12.10 H new ATOM 0 HG2 GLU A 39 -23.732 4.891 -20.570 1.00 0.12 H new ATOM 0 HG3 GLU A 39 -24.806 4.901 -21.955 1.00 0.12 H new ATOM 597 N GLY A 40 -25.367 2.499 -22.288 1.00 13.25 N ATOM 598 CA GLY A 40 -25.748 1.858 -23.532 1.00 72.52 C ATOM 599 C GLY A 40 -25.929 2.849 -24.664 1.00 41.32 C ATOM 600 O GLY A 40 -26.940 2.822 -25.367 1.00 24.40 O ATOM 0 H GLY A 40 -24.538 3.091 -22.347 1.00 13.25 H new ATOM 0 HA2 GLY A 40 -24.986 1.129 -23.810 1.00 72.52 H new ATOM 0 HA3 GLY A 40 -26.677 1.307 -23.384 1.00 72.52 H new ATOM 604 N ILE A 41 -24.948 3.729 -24.840 1.00 74.44 N ATOM 605 CA ILE A 41 -25.005 4.734 -25.895 1.00 23.35 C ATOM 606 C ILE A 41 -23.827 4.591 -26.853 1.00 53.50 C ATOM 607 O ILE A 41 -22.771 4.063 -26.505 1.00 33.05 O ATOM 608 CB ILE A 41 -25.009 6.160 -25.313 1.00 74.20 C ATOM 609 CG1 ILE A 41 -23.926 6.301 -24.242 1.00 64.03 C ATOM 610 CG2 ILE A 41 -26.378 6.492 -24.737 1.00 4.24 C ATOM 611 CD1 ILE A 41 -23.074 7.541 -24.404 1.00 15.01 C ATOM 0 H ILE A 41 -24.105 3.766 -24.266 1.00 74.44 H new ATOM 0 HA ILE A 41 -25.935 4.570 -26.439 1.00 23.35 H new ATOM 0 HB ILE A 41 -24.793 6.865 -26.116 1.00 74.20 H new ATOM 0 HG12 ILE A 41 -24.398 6.320 -23.260 1.00 64.03 H new ATOM 0 HG13 ILE A 41 -23.283 5.422 -24.269 1.00 64.03 H new ATOM 0 HG21 ILE A 41 -26.366 7.503 -24.329 1.00 4.24 H new ATOM 0 HG22 ILE A 41 -27.129 6.427 -25.524 1.00 4.24 H new ATOM 0 HG23 ILE A 41 -26.621 5.784 -23.945 1.00 4.24 H new ATOM 0 HD11 ILE A 41 -22.328 7.576 -23.610 1.00 15.01 H new ATOM 0 HD12 ILE A 41 -22.574 7.515 -25.372 1.00 15.01 H new ATOM 0 HD13 ILE A 41 -23.706 8.427 -24.347 1.00 15.01 H new ATOM 623 N PRO A 42 -24.010 5.076 -28.091 1.00 21.45 N ATOM 624 CA PRO A 42 -22.973 5.016 -29.125 1.00 3.42 C ATOM 625 C PRO A 42 -21.803 5.948 -28.827 1.00 12.51 C ATOM 626 O PRO A 42 -21.939 7.172 -28.822 1.00 41.24 O ATOM 627 CB PRO A 42 -23.707 5.467 -30.390 1.00 12.42 C ATOM 628 CG PRO A 42 -24.832 6.310 -29.895 1.00 5.20 C ATOM 629 CD PRO A 42 -25.243 5.719 -28.575 1.00 62.42 C ATOM 0 HA PRO A 42 -22.532 4.022 -29.203 1.00 3.42 H new ATOM 0 HB2 PRO A 42 -23.049 6.033 -31.049 1.00 12.42 H new ATOM 0 HB3 PRO A 42 -24.073 4.614 -30.961 1.00 12.42 H new ATOM 0 HG2 PRO A 42 -24.520 7.348 -29.778 1.00 5.20 H new ATOM 0 HG3 PRO A 42 -25.663 6.305 -30.600 1.00 5.20 H new ATOM 0 HD2 PRO A 42 -25.595 6.485 -27.884 1.00 62.42 H new ATOM 0 HD3 PRO A 42 -26.053 4.999 -28.692 1.00 62.42 H new ATOM 637 N PRO A 43 -20.626 5.359 -28.572 1.00 64.04 N ATOM 638 CA PRO A 43 -19.409 6.119 -28.270 1.00 30.21 C ATOM 639 C PRO A 43 -18.880 6.873 -29.485 1.00 2.54 C ATOM 640 O PRO A 43 -18.226 7.908 -29.348 1.00 72.23 O ATOM 641 CB PRO A 43 -18.415 5.039 -27.837 1.00 23.44 C ATOM 642 CG PRO A 43 -18.892 3.795 -28.503 1.00 74.21 C ATOM 643 CD PRO A 43 -20.391 3.905 -28.561 1.00 0.31 C ATOM 0 HA PRO A 43 -19.584 6.885 -27.514 1.00 30.21 H new ATOM 0 HB2 PRO A 43 -17.400 5.289 -28.146 1.00 23.44 H new ATOM 0 HB3 PRO A 43 -18.400 4.927 -26.753 1.00 23.44 H new ATOM 0 HG2 PRO A 43 -18.469 3.701 -29.503 1.00 74.21 H new ATOM 0 HG3 PRO A 43 -18.587 2.911 -27.943 1.00 74.21 H new ATOM 0 HD2 PRO A 43 -20.795 3.426 -29.453 1.00 0.31 H new ATOM 0 HD3 PRO A 43 -20.863 3.428 -27.702 1.00 0.31 H new ATOM 651 N ASP A 44 -19.167 6.350 -30.671 1.00 44.24 N ATOM 652 CA ASP A 44 -18.721 6.976 -31.911 1.00 23.21 C ATOM 653 C ASP A 44 -19.593 8.178 -32.257 1.00 51.42 C ATOM 654 O ASP A 44 -19.220 9.009 -33.085 1.00 11.22 O ATOM 655 CB ASP A 44 -18.748 5.963 -33.057 1.00 11.31 C ATOM 656 CG ASP A 44 -17.963 6.435 -34.265 1.00 25.31 C ATOM 657 OD1 ASP A 44 -16.892 7.049 -34.074 1.00 1.10 O ATOM 658 OD2 ASP A 44 -18.418 6.188 -35.401 1.00 42.51 O ATOM 0 H ASP A 44 -19.706 5.494 -30.801 1.00 44.24 H new ATOM 0 HA ASP A 44 -17.698 7.322 -31.767 1.00 23.21 H new ATOM 0 HB2 ASP A 44 -18.339 5.014 -32.709 1.00 11.31 H new ATOM 0 HB3 ASP A 44 -19.781 5.776 -33.349 1.00 11.31 H new ATOM 663 N GLN A 45 -20.756 8.263 -31.619 1.00 22.12 N ATOM 664 CA GLN A 45 -21.682 9.363 -31.861 1.00 64.03 C ATOM 665 C GLN A 45 -21.584 10.410 -30.757 1.00 45.41 C ATOM 666 O GLN A 45 -22.113 11.514 -30.887 1.00 61.34 O ATOM 667 CB GLN A 45 -23.115 8.839 -31.957 1.00 75.15 C ATOM 668 CG GLN A 45 -23.515 8.413 -33.361 1.00 42.32 C ATOM 669 CD GLN A 45 -24.592 7.347 -33.363 1.00 70.34 C ATOM 670 OE1 GLN A 45 -25.745 7.612 -33.023 1.00 32.15 O ATOM 671 NE2 GLN A 45 -24.221 6.131 -33.749 1.00 13.31 N ATOM 0 H GLN A 45 -21.079 7.583 -30.931 1.00 22.12 H new ATOM 0 HA GLN A 45 -21.410 9.832 -32.807 1.00 64.03 H new ATOM 0 HB2 GLN A 45 -23.228 7.990 -31.283 1.00 75.15 H new ATOM 0 HB3 GLN A 45 -23.800 9.614 -31.612 1.00 75.15 H new ATOM 0 HG2 GLN A 45 -23.870 9.283 -33.913 1.00 42.32 H new ATOM 0 HG3 GLN A 45 -22.637 8.038 -33.887 1.00 42.32 H new ATOM 0 HE21 GLN A 45 -23.254 5.956 -34.023 1.00 13.31 H new ATOM 0 HE22 GLN A 45 -24.903 5.373 -33.772 1.00 13.31 H new ATOM 680 N GLN A 46 -20.904 10.057 -29.671 1.00 65.43 N ATOM 681 CA GLN A 46 -20.738 10.967 -28.544 1.00 63.42 C ATOM 682 C GLN A 46 -19.317 11.520 -28.496 1.00 14.20 C ATOM 683 O GLN A 46 -18.389 10.924 -29.042 1.00 74.43 O ATOM 684 CB GLN A 46 -21.064 10.252 -27.232 1.00 22.42 C ATOM 685 CG GLN A 46 -20.028 9.213 -26.831 1.00 53.21 C ATOM 686 CD GLN A 46 -19.190 9.652 -25.647 1.00 45.31 C ATOM 687 OE1 GLN A 46 -18.213 10.386 -25.802 1.00 24.24 O ATOM 688 NE2 GLN A 46 -19.567 9.205 -24.455 1.00 73.13 N ATOM 0 H GLN A 46 -20.459 9.147 -29.548 1.00 65.43 H new ATOM 0 HA GLN A 46 -21.428 11.800 -28.677 1.00 63.42 H new ATOM 0 HB2 GLN A 46 -21.151 10.992 -26.436 1.00 22.42 H new ATOM 0 HB3 GLN A 46 -22.036 9.767 -27.324 1.00 22.42 H new ATOM 0 HG2 GLN A 46 -20.532 8.278 -26.588 1.00 53.21 H new ATOM 0 HG3 GLN A 46 -19.374 9.011 -27.679 1.00 53.21 H new ATOM 0 HE21 GLN A 46 -20.383 8.599 -24.372 1.00 73.13 H new ATOM 0 HE22 GLN A 46 -19.041 9.468 -23.622 1.00 73.13 H new ATOM 697 N ARG A 47 -19.155 12.664 -27.839 1.00 55.22 N ATOM 698 CA ARG A 47 -17.848 13.299 -27.721 1.00 53.13 C ATOM 699 C ARG A 47 -17.712 14.019 -26.383 1.00 32.44 C ATOM 700 O ARG A 47 -18.707 14.297 -25.711 1.00 23.51 O ATOM 701 CB ARG A 47 -17.633 14.288 -28.868 1.00 43.13 C ATOM 702 CG ARG A 47 -17.167 13.633 -30.158 1.00 74.42 C ATOM 703 CD ARG A 47 -18.297 13.531 -31.171 1.00 35.03 C ATOM 704 NE ARG A 47 -17.842 12.987 -32.447 1.00 44.21 N ATOM 705 CZ ARG A 47 -18.523 13.104 -33.581 1.00 50.43 C ATOM 706 NH1 ARG A 47 -19.685 13.743 -33.598 1.00 3.35 N ATOM 707 NH2 ARG A 47 -18.042 12.582 -34.703 1.00 13.55 N ATOM 0 H ARG A 47 -19.913 13.170 -27.380 1.00 55.22 H new ATOM 0 HA ARG A 47 -17.087 12.520 -27.774 1.00 53.13 H new ATOM 0 HB2 ARG A 47 -18.565 14.820 -29.057 1.00 43.13 H new ATOM 0 HB3 ARG A 47 -16.897 15.032 -28.562 1.00 43.13 H new ATOM 0 HG2 ARG A 47 -16.346 14.210 -30.584 1.00 74.42 H new ATOM 0 HG3 ARG A 47 -16.779 12.637 -29.942 1.00 74.42 H new ATOM 0 HD2 ARG A 47 -19.088 12.898 -30.769 1.00 35.03 H new ATOM 0 HD3 ARG A 47 -18.730 14.518 -31.332 1.00 35.03 H new ATOM 0 HE ARG A 47 -16.952 12.490 -32.469 1.00 44.21 H new ATOM 0 HH11 ARG A 47 -20.058 14.146 -32.738 1.00 3.35 H new ATOM 0 HH12 ARG A 47 -20.206 13.831 -34.471 1.00 3.35 H new ATOM 0 HH21 ARG A 47 -17.148 12.090 -34.695 1.00 13.55 H new ATOM 0 HH22 ARG A 47 -18.566 12.673 -35.573 1.00 13.55 H new ATOM 721 N LEU A 48 -16.475 14.317 -26.000 1.00 55.25 N ATOM 722 CA LEU A 48 -16.208 15.004 -24.742 1.00 15.24 C ATOM 723 C LEU A 48 -15.834 16.463 -24.986 1.00 32.52 C ATOM 724 O LEU A 48 -15.233 16.796 -26.007 1.00 43.41 O ATOM 725 CB LEU A 48 -15.085 14.298 -23.981 1.00 21.13 C ATOM 726 CG LEU A 48 -15.030 12.777 -24.125 1.00 21.43 C ATOM 727 CD1 LEU A 48 -16.431 12.186 -24.088 1.00 61.00 C ATOM 728 CD2 LEU A 48 -14.319 12.388 -25.413 1.00 1.13 C ATOM 0 H LEU A 48 -15.641 14.093 -26.543 1.00 55.25 H new ATOM 0 HA LEU A 48 -17.118 14.977 -24.142 1.00 15.24 H new ATOM 0 HB2 LEU A 48 -14.132 14.709 -24.315 1.00 21.13 H new ATOM 0 HB3 LEU A 48 -15.183 14.539 -22.923 1.00 21.13 H new ATOM 0 HG LEU A 48 -14.465 12.372 -23.285 1.00 21.43 H new ATOM 0 HD11 LEU A 48 -16.372 11.103 -24.192 1.00 61.00 H new ATOM 0 HD12 LEU A 48 -16.906 12.434 -23.139 1.00 61.00 H new ATOM 0 HD13 LEU A 48 -17.021 12.597 -24.907 1.00 61.00 H new ATOM 0 HD21 LEU A 48 -14.289 11.302 -25.498 1.00 1.13 H new ATOM 0 HD22 LEU A 48 -14.856 12.805 -26.265 1.00 1.13 H new ATOM 0 HD23 LEU A 48 -13.302 12.779 -25.399 1.00 1.13 H new ATOM 740 N ILE A 49 -16.192 17.326 -24.041 1.00 70.14 N ATOM 741 CA ILE A 49 -15.891 18.748 -24.153 1.00 24.31 C ATOM 742 C ILE A 49 -15.462 19.326 -22.808 1.00 74.14 C ATOM 743 O ILE A 49 -16.151 19.160 -21.801 1.00 61.33 O ATOM 744 CB ILE A 49 -17.102 19.541 -24.678 1.00 32.44 C ATOM 745 CG1 ILE A 49 -17.232 19.373 -26.193 1.00 23.21 C ATOM 746 CG2 ILE A 49 -16.972 21.011 -24.311 1.00 45.42 C ATOM 747 CD1 ILE A 49 -18.548 18.764 -26.623 1.00 62.11 C ATOM 0 H ILE A 49 -16.690 17.066 -23.190 1.00 70.14 H new ATOM 0 HA ILE A 49 -15.071 18.842 -24.865 1.00 24.31 H new ATOM 0 HB ILE A 49 -18.005 19.149 -24.210 1.00 32.44 H new ATOM 0 HG12 ILE A 49 -17.119 20.347 -26.669 1.00 23.21 H new ATOM 0 HG13 ILE A 49 -16.416 18.746 -26.552 1.00 23.21 H new ATOM 0 HG21 ILE A 49 -17.836 21.558 -24.689 1.00 45.42 H new ATOM 0 HG22 ILE A 49 -16.924 21.112 -23.227 1.00 45.42 H new ATOM 0 HG23 ILE A 49 -16.063 21.418 -24.754 1.00 45.42 H new ATOM 0 HD11 ILE A 49 -18.570 18.675 -27.709 1.00 62.11 H new ATOM 0 HD12 ILE A 49 -18.655 17.776 -26.176 1.00 62.11 H new ATOM 0 HD13 ILE A 49 -19.369 19.402 -26.295 1.00 62.11 H new ATOM 759 N PHE A 50 -14.322 20.007 -22.800 1.00 44.50 N ATOM 760 CA PHE A 50 -13.801 20.612 -21.579 1.00 72.03 C ATOM 761 C PHE A 50 -13.689 22.127 -21.727 1.00 70.54 C ATOM 762 O PHE A 50 -12.837 22.628 -22.459 1.00 50.33 O ATOM 763 CB PHE A 50 -12.433 20.019 -21.234 1.00 54.34 C ATOM 764 CG PHE A 50 -11.946 20.393 -19.864 1.00 14.14 C ATOM 765 CD1 PHE A 50 -11.226 21.560 -19.664 1.00 72.12 C ATOM 766 CD2 PHE A 50 -12.209 19.578 -18.774 1.00 53.14 C ATOM 767 CE1 PHE A 50 -10.776 21.906 -18.404 1.00 34.31 C ATOM 768 CE2 PHE A 50 -11.762 19.919 -17.512 1.00 34.04 C ATOM 769 CZ PHE A 50 -11.046 21.085 -17.326 1.00 62.12 C ATOM 0 H PHE A 50 -13.740 20.154 -23.625 1.00 44.50 H new ATOM 0 HA PHE A 50 -14.498 20.395 -20.770 1.00 72.03 H new ATOM 0 HB2 PHE A 50 -12.488 18.933 -21.307 1.00 54.34 H new ATOM 0 HB3 PHE A 50 -11.705 20.352 -21.973 1.00 54.34 H new ATOM 0 HD1 PHE A 50 -11.014 22.207 -20.503 1.00 72.12 H new ATOM 0 HD2 PHE A 50 -12.770 18.666 -18.913 1.00 53.14 H new ATOM 0 HE1 PHE A 50 -10.214 22.817 -18.262 1.00 34.31 H new ATOM 0 HE2 PHE A 50 -11.972 19.274 -16.672 1.00 34.04 H new ATOM 0 HZ PHE A 50 -10.698 21.355 -16.340 1.00 62.12 H new ATOM 779 N GLY A 51 -14.557 22.850 -21.026 1.00 73.25 N ATOM 780 CA GLY A 51 -14.540 24.299 -21.094 1.00 11.32 C ATOM 781 C GLY A 51 -15.101 24.826 -22.400 1.00 35.23 C ATOM 782 O GLY A 51 -15.214 26.036 -22.592 1.00 75.40 O ATOM 0 H GLY A 51 -15.271 22.458 -20.412 1.00 73.25 H new ATOM 0 HA2 GLY A 51 -15.118 24.705 -20.264 1.00 11.32 H new ATOM 0 HA3 GLY A 51 -13.516 24.653 -20.973 1.00 11.32 H new ATOM 786 N GLY A 52 -15.453 23.914 -23.301 1.00 51.15 N ATOM 787 CA GLY A 52 -16.000 24.313 -24.585 1.00 64.23 C ATOM 788 C GLY A 52 -15.309 23.627 -25.748 1.00 2.44 C ATOM 789 O GLY A 52 -15.890 23.473 -26.822 1.00 32.42 O ATOM 0 H GLY A 52 -15.369 22.907 -23.165 1.00 51.15 H new ATOM 0 HA2 GLY A 52 -17.065 24.081 -24.611 1.00 64.23 H new ATOM 0 HA3 GLY A 52 -15.906 25.393 -24.697 1.00 64.23 H new ATOM 793 N LYS A 53 -14.063 23.217 -25.535 1.00 33.44 N ATOM 794 CA LYS A 53 -13.291 22.544 -26.572 1.00 41.14 C ATOM 795 C LYS A 53 -13.431 21.029 -26.459 1.00 44.44 C ATOM 796 O LYS A 53 -13.539 20.488 -25.360 1.00 15.14 O ATOM 797 CB LYS A 53 -11.816 22.939 -26.476 1.00 3.51 C ATOM 798 CG LYS A 53 -11.189 22.626 -25.128 1.00 40.42 C ATOM 799 CD LYS A 53 -10.530 21.257 -25.124 1.00 52.12 C ATOM 800 CE LYS A 53 -9.364 21.197 -26.098 1.00 45.02 C ATOM 801 NZ LYS A 53 -8.083 20.874 -25.410 1.00 61.55 N ATOM 0 H LYS A 53 -13.566 23.339 -24.653 1.00 33.44 H new ATOM 0 HA LYS A 53 -13.682 22.856 -27.540 1.00 41.14 H new ATOM 0 HB2 LYS A 53 -11.258 22.421 -27.256 1.00 3.51 H new ATOM 0 HB3 LYS A 53 -11.721 24.007 -26.672 1.00 3.51 H new ATOM 0 HG2 LYS A 53 -10.449 23.388 -24.884 1.00 40.42 H new ATOM 0 HG3 LYS A 53 -11.954 22.665 -24.352 1.00 40.42 H new ATOM 0 HD2 LYS A 53 -10.178 21.024 -24.119 1.00 52.12 H new ATOM 0 HD3 LYS A 53 -11.266 20.497 -25.388 1.00 52.12 H new ATOM 0 HE2 LYS A 53 -9.566 20.445 -26.861 1.00 45.02 H new ATOM 0 HE3 LYS A 53 -9.270 22.154 -26.611 1.00 45.02 H new ATOM 0 HZ1 LYS A 53 -7.313 20.842 -26.108 1.00 61.55 H new ATOM 0 HZ2 LYS A 53 -7.877 21.605 -24.699 1.00 61.55 H new ATOM 0 HZ3 LYS A 53 -8.164 19.949 -24.942 1.00 61.55 H new ATOM 815 N GLN A 54 -13.425 20.352 -27.603 1.00 53.20 N ATOM 816 CA GLN A 54 -13.551 18.900 -27.631 1.00 23.22 C ATOM 817 C GLN A 54 -12.284 18.234 -27.103 1.00 72.21 C ATOM 818 O GLN A 54 -11.233 18.868 -27.000 1.00 14.23 O ATOM 819 CB GLN A 54 -13.839 18.419 -29.054 1.00 30.31 C ATOM 820 CG GLN A 54 -15.311 18.145 -29.317 1.00 21.40 C ATOM 821 CD GLN A 54 -16.086 19.401 -29.664 1.00 23.34 C ATOM 822 OE1 GLN A 54 -15.742 20.497 -29.222 1.00 14.54 O ATOM 823 NE2 GLN A 54 -17.138 19.247 -30.459 1.00 61.00 N ATOM 0 H GLN A 54 -13.334 20.786 -28.522 1.00 53.20 H new ATOM 0 HA GLN A 54 -14.383 18.620 -26.985 1.00 23.22 H new ATOM 0 HB2 GLN A 54 -13.486 19.170 -29.761 1.00 30.31 H new ATOM 0 HB3 GLN A 54 -13.269 17.509 -29.244 1.00 30.31 H new ATOM 0 HG2 GLN A 54 -15.403 17.429 -30.134 1.00 21.40 H new ATOM 0 HG3 GLN A 54 -15.754 17.682 -28.435 1.00 21.40 H new ATOM 0 HE21 GLN A 54 -17.387 18.319 -30.802 1.00 61.00 H new ATOM 0 HE22 GLN A 54 -17.698 20.057 -30.727 1.00 61.00 H new ATOM 832 N LEU A 55 -12.391 16.952 -26.770 1.00 45.30 N ATOM 833 CA LEU A 55 -11.253 16.199 -26.252 1.00 53.42 C ATOM 834 C LEU A 55 -10.889 15.051 -27.187 1.00 74.34 C ATOM 835 O LEU A 55 -11.736 14.228 -27.534 1.00 14.05 O ATOM 836 CB LEU A 55 -11.569 15.656 -24.857 1.00 43.24 C ATOM 837 CG LEU A 55 -12.143 16.662 -23.859 1.00 50.34 C ATOM 838 CD1 LEU A 55 -12.258 16.037 -22.478 1.00 2.33 C ATOM 839 CD2 LEU A 55 -11.282 17.916 -23.810 1.00 25.31 C ATOM 0 H LEU A 55 -13.253 16.413 -26.849 1.00 45.30 H new ATOM 0 HA LEU A 55 -10.400 16.875 -26.188 1.00 53.42 H new ATOM 0 HB2 LEU A 55 -12.277 14.834 -24.961 1.00 43.24 H new ATOM 0 HB3 LEU A 55 -10.655 15.238 -24.436 1.00 43.24 H new ATOM 0 HG LEU A 55 -13.142 16.945 -24.191 1.00 50.34 H new ATOM 0 HD11 LEU A 55 -12.668 16.768 -21.781 1.00 2.33 H new ATOM 0 HD12 LEU A 55 -12.917 15.170 -22.525 1.00 2.33 H new ATOM 0 HD13 LEU A 55 -11.271 15.724 -22.137 1.00 2.33 H new ATOM 0 HD21 LEU A 55 -11.706 18.621 -23.094 1.00 25.31 H new ATOM 0 HD22 LEU A 55 -10.270 17.651 -23.503 1.00 25.31 H new ATOM 0 HD23 LEU A 55 -11.252 18.376 -24.798 1.00 25.31 H new ATOM 851 N GLU A 56 -9.624 15.001 -27.591 1.00 25.14 N ATOM 852 CA GLU A 56 -9.148 13.952 -28.485 1.00 30.34 C ATOM 853 C GLU A 56 -9.199 12.589 -27.800 1.00 33.12 C ATOM 854 O GLU A 56 -9.637 12.474 -26.655 1.00 73.40 O ATOM 855 CB GLU A 56 -7.719 14.251 -28.944 1.00 33.34 C ATOM 856 CG GLU A 56 -7.495 14.017 -30.428 1.00 75.11 C ATOM 857 CD GLU A 56 -7.252 15.304 -31.191 1.00 54.44 C ATOM 858 OE1 GLU A 56 -8.238 16.006 -31.502 1.00 62.53 O ATOM 859 OE2 GLU A 56 -6.076 15.611 -31.477 1.00 61.23 O ATOM 0 H GLU A 56 -8.910 15.675 -27.313 1.00 25.14 H new ATOM 0 HA GLU A 56 -9.804 13.927 -29.355 1.00 30.34 H new ATOM 0 HB2 GLU A 56 -7.480 15.288 -28.708 1.00 33.34 H new ATOM 0 HB3 GLU A 56 -7.027 13.628 -28.378 1.00 33.34 H new ATOM 0 HG2 GLU A 56 -6.641 13.353 -30.562 1.00 75.11 H new ATOM 0 HG3 GLU A 56 -8.364 13.509 -30.847 1.00 75.11 H new ATOM 866 N ASP A 57 -8.749 11.560 -28.509 1.00 72.12 N ATOM 867 CA ASP A 57 -8.743 10.205 -27.971 1.00 22.41 C ATOM 868 C ASP A 57 -7.662 10.048 -26.905 1.00 54.33 C ATOM 869 O ASP A 57 -7.703 9.121 -26.097 1.00 35.02 O ATOM 870 CB ASP A 57 -8.521 9.189 -29.092 1.00 73.54 C ATOM 871 CG ASP A 57 -9.358 9.490 -30.320 1.00 43.03 C ATOM 872 OD1 ASP A 57 -10.462 10.052 -30.162 1.00 63.54 O ATOM 873 OD2 ASP A 57 -8.909 9.164 -31.439 1.00 62.43 O ATOM 0 H ASP A 57 -8.383 11.638 -29.458 1.00 72.12 H new ATOM 0 HA ASP A 57 -9.713 10.020 -27.510 1.00 22.41 H new ATOM 0 HB2 ASP A 57 -7.466 9.181 -29.368 1.00 73.54 H new ATOM 0 HB3 ASP A 57 -8.763 8.191 -28.727 1.00 73.54 H new ATOM 878 N SER A 58 -6.696 10.961 -26.911 1.00 60.23 N ATOM 879 CA SER A 58 -5.602 10.922 -25.948 1.00 65.45 C ATOM 880 C SER A 58 -5.720 12.064 -24.944 1.00 52.03 C ATOM 881 O SER A 58 -4.850 12.251 -24.095 1.00 34.23 O ATOM 882 CB SER A 58 -4.255 11.000 -26.671 1.00 54.41 C ATOM 883 OG SER A 58 -3.179 10.860 -25.760 1.00 63.25 O ATOM 0 H SER A 58 -6.649 11.736 -27.572 1.00 60.23 H new ATOM 0 HA SER A 58 -5.662 9.978 -25.406 1.00 65.45 H new ATOM 0 HB2 SER A 58 -4.199 10.218 -27.428 1.00 54.41 H new ATOM 0 HB3 SER A 58 -4.173 11.954 -27.192 1.00 54.41 H new ATOM 0 HG SER A 58 -3.405 11.304 -24.916 1.00 63.25 H new ATOM 889 N ASN A 59 -6.804 12.826 -25.050 1.00 33.35 N ATOM 890 CA ASN A 59 -7.038 13.951 -24.152 1.00 21.14 C ATOM 891 C ASN A 59 -7.588 13.472 -22.811 1.00 42.24 C ATOM 892 O ASN A 59 -8.797 13.492 -22.582 1.00 62.44 O ATOM 893 CB ASN A 59 -8.011 14.945 -24.789 1.00 5.43 C ATOM 894 CG ASN A 59 -7.298 16.029 -25.575 1.00 25.50 C ATOM 895 OD1 ASN A 59 -6.490 15.740 -26.459 1.00 12.34 O ATOM 896 ND2 ASN A 59 -7.593 17.283 -25.256 1.00 14.13 N ATOM 0 H ASN A 59 -7.534 12.685 -25.748 1.00 33.35 H new ATOM 0 HA ASN A 59 -6.084 14.448 -23.977 1.00 21.14 H new ATOM 0 HB2 ASN A 59 -8.693 14.409 -25.450 1.00 5.43 H new ATOM 0 HB3 ASN A 59 -8.618 15.405 -24.010 1.00 5.43 H new ATOM 0 HD21 ASN A 59 -7.144 18.054 -25.750 1.00 14.13 H new ATOM 0 HD22 ASN A 59 -8.269 17.476 -24.517 1.00 14.13 H new ATOM 903 N ALA A 60 -6.691 13.044 -21.929 1.00 71.41 N ATOM 904 CA ALA A 60 -7.086 12.563 -20.611 1.00 23.50 C ATOM 905 C ALA A 60 -5.865 12.232 -19.759 1.00 61.22 C ATOM 906 O ALA A 60 -5.367 13.077 -19.016 1.00 52.45 O ATOM 907 CB ALA A 60 -7.986 11.343 -20.742 1.00 13.20 C ATOM 0 H ALA A 60 -5.686 13.021 -22.103 1.00 71.41 H new ATOM 0 HA ALA A 60 -7.640 13.358 -20.113 1.00 23.50 H new ATOM 0 HB1 ALA A 60 -8.273 10.995 -19.750 1.00 13.20 H new ATOM 0 HB2 ALA A 60 -8.880 11.609 -21.306 1.00 13.20 H new ATOM 0 HB3 ALA A 60 -7.450 10.550 -21.264 1.00 13.20 H new ATOM 913 N MET A 61 -5.388 10.996 -19.871 1.00 41.45 N ATOM 914 CA MET A 61 -4.224 10.555 -19.111 1.00 74.22 C ATOM 915 C MET A 61 -3.029 11.468 -19.367 1.00 74.40 C ATOM 916 O MET A 61 -2.378 11.930 -18.431 1.00 23.25 O ATOM 917 CB MET A 61 -3.867 9.113 -19.476 1.00 70.25 C ATOM 918 CG MET A 61 -4.115 8.777 -20.938 1.00 61.01 C ATOM 919 SD MET A 61 -2.845 7.699 -21.628 1.00 44.42 S ATOM 920 CE MET A 61 -1.969 8.845 -22.691 1.00 13.22 C ATOM 0 H MET A 61 -5.789 10.283 -20.480 1.00 41.45 H new ATOM 0 HA MET A 61 -4.474 10.603 -18.051 1.00 74.22 H new ATOM 0 HB2 MET A 61 -2.816 8.938 -19.245 1.00 70.25 H new ATOM 0 HB3 MET A 61 -4.448 8.434 -18.852 1.00 70.25 H new ATOM 0 HG2 MET A 61 -5.088 8.295 -21.036 1.00 61.01 H new ATOM 0 HG3 MET A 61 -4.157 9.700 -21.517 1.00 61.01 H new ATOM 0 HE1 MET A 61 -1.335 8.289 -23.382 1.00 13.22 H new ATOM 0 HE2 MET A 61 -2.687 9.439 -23.256 1.00 13.22 H new ATOM 0 HE3 MET A 61 -1.351 9.505 -22.083 1.00 13.22 H new ATOM 930 N SER A 62 -2.747 11.723 -20.641 1.00 32.14 N ATOM 931 CA SER A 62 -1.628 12.577 -21.019 1.00 43.21 C ATOM 932 C SER A 62 -1.967 14.048 -20.797 1.00 34.10 C ATOM 933 O SER A 62 -1.098 14.854 -20.467 1.00 4.32 O ATOM 934 CB SER A 62 -1.253 12.344 -22.484 1.00 55.11 C ATOM 935 OG SER A 62 -0.843 13.551 -23.104 1.00 22.43 O ATOM 0 H SER A 62 -3.278 11.350 -21.428 1.00 32.14 H new ATOM 0 HA SER A 62 -0.777 12.319 -20.388 1.00 43.21 H new ATOM 0 HB2 SER A 62 -0.450 11.609 -22.545 1.00 55.11 H new ATOM 0 HB3 SER A 62 -2.107 11.928 -23.019 1.00 55.11 H new ATOM 0 HG SER A 62 -0.607 13.375 -24.039 1.00 22.43 H new ATOM 941 N ASP A 63 -3.238 14.389 -20.981 1.00 0.23 N ATOM 942 CA ASP A 63 -3.695 15.762 -20.800 1.00 3.32 C ATOM 943 C ASP A 63 -3.372 16.262 -19.395 1.00 32.42 C ATOM 944 O ASP A 63 -3.230 17.464 -19.170 1.00 23.33 O ATOM 945 CB ASP A 63 -5.199 15.860 -21.056 1.00 73.12 C ATOM 946 CG ASP A 63 -5.647 17.280 -21.344 1.00 63.51 C ATOM 947 OD1 ASP A 63 -5.963 18.009 -20.381 1.00 35.00 O ATOM 948 OD2 ASP A 63 -5.679 17.661 -22.532 1.00 52.44 O ATOM 0 H ASP A 63 -3.970 13.734 -21.255 1.00 0.23 H new ATOM 0 HA ASP A 63 -3.170 16.391 -21.520 1.00 3.32 H new ATOM 0 HB2 ASP A 63 -5.463 15.221 -21.898 1.00 73.12 H new ATOM 0 HB3 ASP A 63 -5.738 15.481 -20.187 1.00 73.12 H new ATOM 953 N TYR A 64 -3.260 15.331 -18.453 1.00 45.34 N ATOM 954 CA TYR A 64 -2.957 15.677 -17.069 1.00 75.05 C ATOM 955 C TYR A 64 -4.176 16.283 -16.381 1.00 14.40 C ATOM 956 O TYR A 64 -4.058 16.931 -15.342 1.00 21.55 O ATOM 957 CB TYR A 64 -1.785 16.657 -17.011 1.00 5.00 C ATOM 958 CG TYR A 64 -0.670 16.213 -16.091 1.00 63.11 C ATOM 959 CD1 TYR A 64 0.306 15.326 -16.528 1.00 22.33 C ATOM 960 CD2 TYR A 64 -0.592 16.682 -14.785 1.00 60.43 C ATOM 961 CE1 TYR A 64 1.326 14.917 -15.690 1.00 70.24 C ATOM 962 CE2 TYR A 64 0.425 16.279 -13.941 1.00 41.34 C ATOM 963 CZ TYR A 64 1.381 15.396 -14.398 1.00 43.54 C ATOM 964 OH TYR A 64 2.396 14.993 -13.562 1.00 24.34 O ATOM 0 H TYR A 64 -3.374 14.332 -18.623 1.00 45.34 H new ATOM 0 HA TYR A 64 -2.683 14.762 -16.544 1.00 75.05 H new ATOM 0 HB2 TYR A 64 -1.384 16.791 -18.016 1.00 5.00 H new ATOM 0 HB3 TYR A 64 -2.151 17.629 -16.682 1.00 5.00 H new ATOM 0 HD1 TYR A 64 0.267 14.950 -17.540 1.00 22.33 H new ATOM 0 HD2 TYR A 64 -1.339 17.373 -14.424 1.00 60.43 H new ATOM 0 HE1 TYR A 64 2.076 14.226 -16.045 1.00 70.24 H new ATOM 0 HE2 TYR A 64 0.471 16.653 -12.929 1.00 41.34 H new ATOM 0 HH TYR A 64 2.290 15.423 -12.688 1.00 24.34 H new ATOM 974 N ASN A 65 -5.348 16.068 -16.969 1.00 74.15 N ATOM 975 CA ASN A 65 -6.591 16.593 -16.414 1.00 24.52 C ATOM 976 C ASN A 65 -7.461 15.465 -15.867 1.00 71.03 C ATOM 977 O ASN A 65 -8.652 15.651 -15.617 1.00 71.14 O ATOM 978 CB ASN A 65 -7.360 17.375 -17.480 1.00 11.11 C ATOM 979 CG ASN A 65 -8.171 16.471 -18.388 1.00 63.12 C ATOM 980 OD1 ASN A 65 -7.685 15.438 -18.848 1.00 64.35 O ATOM 981 ND2 ASN A 65 -9.414 16.857 -18.651 1.00 1.14 N ATOM 0 H ASN A 65 -5.464 15.534 -17.830 1.00 74.15 H new ATOM 0 HA ASN A 65 -6.339 17.264 -15.593 1.00 24.52 H new ATOM 0 HB2 ASN A 65 -8.025 18.088 -16.994 1.00 11.11 H new ATOM 0 HB3 ASN A 65 -6.657 17.953 -18.081 1.00 11.11 H new ATOM 0 HD21 ASN A 65 -10.007 16.289 -19.256 1.00 1.14 H new ATOM 0 HD22 ASN A 65 -9.776 17.721 -18.248 1.00 1.14 H new ATOM 988 N VAL A 66 -6.858 14.295 -15.683 1.00 63.15 N ATOM 989 CA VAL A 66 -7.577 13.137 -15.165 1.00 5.21 C ATOM 990 C VAL A 66 -7.330 12.961 -13.671 1.00 2.12 C ATOM 991 O VAL A 66 -6.440 12.215 -13.263 1.00 42.40 O ATOM 992 CB VAL A 66 -7.165 11.846 -15.898 1.00 2.53 C ATOM 993 CG1 VAL A 66 -5.650 11.716 -15.939 1.00 21.42 C ATOM 994 CG2 VAL A 66 -7.795 10.632 -15.232 1.00 52.43 C ATOM 0 H VAL A 66 -5.873 14.124 -15.885 1.00 63.15 H new ATOM 0 HA VAL A 66 -8.638 13.320 -15.336 1.00 5.21 H new ATOM 0 HB VAL A 66 -7.529 11.899 -16.924 1.00 2.53 H new ATOM 0 HG11 VAL A 66 -5.378 10.798 -16.460 1.00 21.42 H new ATOM 0 HG12 VAL A 66 -5.225 12.572 -16.464 1.00 21.42 H new ATOM 0 HG13 VAL A 66 -5.260 11.685 -14.922 1.00 21.42 H new ATOM 0 HG21 VAL A 66 -7.494 9.729 -15.762 1.00 52.43 H new ATOM 0 HG22 VAL A 66 -7.463 10.572 -14.196 1.00 52.43 H new ATOM 0 HG23 VAL A 66 -8.881 10.724 -15.260 1.00 52.43 H new ATOM 1004 N GLN A 67 -8.124 13.652 -12.860 1.00 14.30 N ATOM 1005 CA GLN A 67 -7.992 13.572 -11.410 1.00 44.02 C ATOM 1006 C GLN A 67 -8.951 12.536 -10.832 1.00 44.52 C ATOM 1007 O GLN A 67 -9.670 11.862 -11.569 1.00 33.43 O ATOM 1008 CB GLN A 67 -8.256 14.939 -10.776 1.00 63.12 C ATOM 1009 CG GLN A 67 -9.615 15.521 -11.129 1.00 61.13 C ATOM 1010 CD GLN A 67 -9.904 16.816 -10.396 1.00 22.33 C ATOM 1011 OE1 GLN A 67 -10.280 17.817 -11.005 1.00 43.42 O ATOM 1012 NE2 GLN A 67 -9.729 16.802 -9.079 1.00 55.24 N ATOM 0 H GLN A 67 -8.866 14.274 -13.182 1.00 14.30 H new ATOM 0 HA GLN A 67 -6.972 13.264 -11.180 1.00 44.02 H new ATOM 0 HB2 GLN A 67 -8.179 14.849 -9.692 1.00 63.12 H new ATOM 0 HB3 GLN A 67 -7.479 15.634 -11.094 1.00 63.12 H new ATOM 0 HG2 GLN A 67 -9.662 15.698 -12.204 1.00 61.13 H new ATOM 0 HG3 GLN A 67 -10.391 14.793 -10.892 1.00 61.13 H new ATOM 0 HE21 GLN A 67 -9.416 15.949 -8.615 1.00 55.24 H new ATOM 0 HE22 GLN A 67 -9.908 17.644 -8.532 1.00 55.24 H new ATOM 1021 N LYS A 68 -8.955 12.415 -9.509 1.00 52.20 N ATOM 1022 CA LYS A 68 -9.826 11.463 -8.831 1.00 30.34 C ATOM 1023 C LYS A 68 -11.292 11.754 -9.134 1.00 72.24 C ATOM 1024 O LYS A 68 -12.119 10.844 -9.173 1.00 34.32 O ATOM 1025 CB LYS A 68 -9.588 11.510 -7.320 1.00 32.55 C ATOM 1026 CG LYS A 68 -10.178 10.325 -6.574 1.00 61.20 C ATOM 1027 CD LYS A 68 -9.453 9.034 -6.916 1.00 22.12 C ATOM 1028 CE LYS A 68 -8.151 8.903 -6.140 1.00 12.43 C ATOM 1029 NZ LYS A 68 -8.381 8.898 -4.668 1.00 60.44 N ATOM 0 H LYS A 68 -8.364 12.965 -8.885 1.00 52.20 H new ATOM 0 HA LYS A 68 -9.588 10.465 -9.200 1.00 30.34 H new ATOM 0 HB2 LYS A 68 -8.515 11.550 -7.131 1.00 32.55 H new ATOM 0 HB3 LYS A 68 -10.017 12.430 -6.922 1.00 32.55 H new ATOM 0 HG2 LYS A 68 -10.118 10.503 -5.500 1.00 61.20 H new ATOM 0 HG3 LYS A 68 -11.235 10.227 -6.823 1.00 61.20 H new ATOM 0 HD2 LYS A 68 -10.098 8.184 -6.693 1.00 22.12 H new ATOM 0 HD3 LYS A 68 -9.245 9.005 -7.986 1.00 22.12 H new ATOM 0 HE2 LYS A 68 -7.645 7.983 -6.432 1.00 12.43 H new ATOM 0 HE3 LYS A 68 -7.488 9.728 -6.401 1.00 12.43 H new ATOM 0 HZ1 LYS A 68 -7.606 8.388 -4.197 1.00 60.44 H new ATOM 0 HZ2 LYS A 68 -8.414 9.877 -4.318 1.00 60.44 H new ATOM 0 HZ3 LYS A 68 -9.283 8.425 -4.459 1.00 60.44 H new ATOM 1043 N GLU A 69 -11.606 13.027 -9.351 1.00 4.54 N ATOM 1044 CA GLU A 69 -12.972 13.437 -9.652 1.00 34.43 C ATOM 1045 C GLU A 69 -12.986 14.658 -10.566 1.00 2.41 C ATOM 1046 O GLU A 69 -13.171 15.786 -10.110 1.00 15.44 O ATOM 1047 CB GLU A 69 -13.733 13.744 -8.360 1.00 4.31 C ATOM 1048 CG GLU A 69 -12.961 14.630 -7.396 1.00 53.11 C ATOM 1049 CD GLU A 69 -13.788 15.794 -6.884 1.00 61.14 C ATOM 1050 OE1 GLU A 69 -14.201 16.636 -7.708 1.00 55.12 O ATOM 1051 OE2 GLU A 69 -14.021 15.862 -5.659 1.00 72.33 O ATOM 0 H GLU A 69 -10.932 13.792 -9.324 1.00 4.54 H new ATOM 0 HA GLU A 69 -13.465 12.613 -10.168 1.00 34.43 H new ATOM 0 HB2 GLU A 69 -14.676 14.229 -8.610 1.00 4.31 H new ATOM 0 HB3 GLU A 69 -13.979 12.806 -7.861 1.00 4.31 H new ATOM 0 HG2 GLU A 69 -12.621 14.031 -6.551 1.00 53.11 H new ATOM 0 HG3 GLU A 69 -12.070 15.013 -7.894 1.00 53.11 H new ATOM 1058 N SER A 70 -12.787 14.425 -11.859 1.00 62.42 N ATOM 1059 CA SER A 70 -12.771 15.506 -12.838 1.00 33.42 C ATOM 1060 C SER A 70 -14.134 15.652 -13.507 1.00 75.12 C ATOM 1061 O SER A 70 -14.718 14.674 -13.976 1.00 33.14 O ATOM 1062 CB SER A 70 -11.696 15.249 -13.895 1.00 51.15 C ATOM 1063 OG SER A 70 -11.015 16.446 -14.231 1.00 21.41 O ATOM 0 H SER A 70 -12.634 13.497 -12.254 1.00 62.42 H new ATOM 0 HA SER A 70 -12.541 16.434 -12.315 1.00 33.42 H new ATOM 0 HB2 SER A 70 -10.983 14.514 -13.522 1.00 51.15 H new ATOM 0 HB3 SER A 70 -12.154 14.824 -14.788 1.00 51.15 H new ATOM 0 HG SER A 70 -10.197 16.229 -14.725 1.00 21.41 H new ATOM 1069 N THR A 71 -14.637 16.882 -13.549 1.00 35.13 N ATOM 1070 CA THR A 71 -15.932 17.158 -14.159 1.00 1.11 C ATOM 1071 C THR A 71 -15.774 17.583 -15.614 1.00 71.04 C ATOM 1072 O THR A 71 -15.094 18.565 -15.915 1.00 15.30 O ATOM 1073 CB THR A 71 -16.690 18.259 -13.394 1.00 11.22 C ATOM 1074 OG1 THR A 71 -15.775 19.270 -12.955 1.00 32.40 O ATOM 1075 CG2 THR A 71 -17.424 17.678 -12.195 1.00 75.32 C ATOM 0 H THR A 71 -14.167 17.703 -13.168 1.00 35.13 H new ATOM 0 HA THR A 71 -16.507 16.233 -14.113 1.00 1.11 H new ATOM 0 HB THR A 71 -17.423 18.701 -14.070 1.00 11.22 H new ATOM 0 HG1 THR A 71 -16.265 19.967 -12.471 1.00 32.40 H new ATOM 0 HG21 THR A 71 -17.952 18.475 -11.671 1.00 75.32 H new ATOM 0 HG22 THR A 71 -18.141 16.930 -12.534 1.00 75.32 H new ATOM 0 HG23 THR A 71 -16.706 17.212 -11.520 1.00 75.32 H new ATOM 1083 N LEU A 72 -16.406 16.838 -16.515 1.00 11.42 N ATOM 1084 CA LEU A 72 -16.337 17.139 -17.941 1.00 24.23 C ATOM 1085 C LEU A 72 -17.723 17.096 -18.574 1.00 53.05 C ATOM 1086 O LEU A 72 -18.616 16.396 -18.094 1.00 44.14 O ATOM 1087 CB LEU A 72 -15.410 16.147 -18.646 1.00 71.03 C ATOM 1088 CG LEU A 72 -16.077 14.894 -19.215 1.00 64.20 C ATOM 1089 CD1 LEU A 72 -16.369 15.070 -20.697 1.00 42.40 C ATOM 1090 CD2 LEU A 72 -15.199 13.672 -18.984 1.00 74.15 C ATOM 0 H LEU A 72 -16.972 16.022 -16.283 1.00 11.42 H new ATOM 0 HA LEU A 72 -15.937 18.146 -18.057 1.00 24.23 H new ATOM 0 HB2 LEU A 72 -14.905 16.667 -19.460 1.00 71.03 H new ATOM 0 HB3 LEU A 72 -14.640 15.836 -17.941 1.00 71.03 H new ATOM 0 HG LEU A 72 -17.023 14.741 -18.696 1.00 64.20 H new ATOM 0 HD11 LEU A 72 -16.843 14.168 -21.084 1.00 42.40 H new ATOM 0 HD12 LEU A 72 -17.036 15.920 -20.838 1.00 42.40 H new ATOM 0 HD13 LEU A 72 -15.437 15.248 -21.233 1.00 42.40 H new ATOM 0 HD21 LEU A 72 -15.689 12.789 -19.395 1.00 74.15 H new ATOM 0 HD22 LEU A 72 -14.238 13.816 -19.477 1.00 74.15 H new ATOM 0 HD23 LEU A 72 -15.041 13.534 -17.914 1.00 74.15 H new ATOM 1102 N HIS A 73 -17.897 17.848 -19.657 1.00 71.30 N ATOM 1103 CA HIS A 73 -19.175 17.893 -20.359 1.00 1.51 C ATOM 1104 C HIS A 73 -19.176 16.939 -21.549 1.00 23.41 C ATOM 1105 O HIS A 73 -18.354 17.062 -22.458 1.00 3.21 O ATOM 1106 CB HIS A 73 -19.470 19.317 -20.832 1.00 51.02 C ATOM 1107 CG HIS A 73 -20.916 19.559 -21.136 1.00 55.41 C ATOM 1108 ND1 HIS A 73 -21.751 18.589 -21.649 1.00 63.31 N ATOM 1109 CD2 HIS A 73 -21.677 20.670 -20.995 1.00 3.43 C ATOM 1110 CE1 HIS A 73 -22.961 19.092 -21.812 1.00 0.52 C ATOM 1111 NE2 HIS A 73 -22.943 20.354 -21.422 1.00 10.33 N ATOM 0 H HIS A 73 -17.170 18.434 -20.067 1.00 71.30 H new ATOM 0 HA HIS A 73 -19.954 17.579 -19.664 1.00 1.51 H new ATOM 0 HB2 HIS A 73 -19.146 20.020 -20.065 1.00 51.02 H new ATOM 0 HB3 HIS A 73 -18.880 19.524 -21.725 1.00 51.02 H new ATOM 0 HD2 HIS A 73 -21.349 21.627 -20.617 1.00 3.43 H new ATOM 0 HE1 HIS A 73 -23.819 18.562 -22.198 1.00 0.52 H new ATOM 0 HE2 HIS A 73 -23.740 20.990 -21.436 1.00 10.33 H new ATOM 1119 N LEU A 74 -20.102 15.987 -21.537 1.00 30.45 N ATOM 1120 CA LEU A 74 -20.209 15.010 -22.615 1.00 35.45 C ATOM 1121 C LEU A 74 -21.433 15.288 -23.482 1.00 1.11 C ATOM 1122 O LEU A 74 -22.568 15.231 -23.009 1.00 51.41 O ATOM 1123 CB LEU A 74 -20.289 13.594 -22.040 1.00 62.04 C ATOM 1124 CG LEU A 74 -21.025 12.563 -22.896 1.00 71.23 C ATOM 1125 CD1 LEU A 74 -20.399 12.473 -24.279 1.00 75.45 C ATOM 1126 CD2 LEU A 74 -21.018 11.202 -22.216 1.00 23.23 C ATOM 0 H LEU A 74 -20.790 15.871 -20.793 1.00 30.45 H new ATOM 0 HA LEU A 74 -19.318 15.094 -23.238 1.00 35.45 H new ATOM 0 HB2 LEU A 74 -19.274 13.236 -21.867 1.00 62.04 H new ATOM 0 HB3 LEU A 74 -20.779 13.645 -21.067 1.00 62.04 H new ATOM 0 HG LEU A 74 -22.060 12.885 -23.008 1.00 71.23 H new ATOM 0 HD11 LEU A 74 -20.936 11.734 -24.874 1.00 75.45 H new ATOM 0 HD12 LEU A 74 -20.457 13.445 -24.769 1.00 75.45 H new ATOM 0 HD13 LEU A 74 -19.355 12.175 -24.187 1.00 75.45 H new ATOM 0 HD21 LEU A 74 -21.546 10.481 -22.840 1.00 23.23 H new ATOM 0 HD22 LEU A 74 -19.989 10.872 -22.072 1.00 23.23 H new ATOM 0 HD23 LEU A 74 -21.514 11.276 -21.248 1.00 23.23 H new ATOM 1138 N VAL A 75 -21.194 15.587 -24.755 1.00 3.21 N ATOM 1139 CA VAL A 75 -22.276 15.871 -25.690 1.00 1.22 C ATOM 1140 C VAL A 75 -22.401 14.770 -26.736 1.00 73.33 C ATOM 1141 O VAL A 75 -21.421 14.397 -27.382 1.00 24.44 O ATOM 1142 CB VAL A 75 -22.062 17.220 -26.403 1.00 33.42 C ATOM 1143 CG1 VAL A 75 -23.245 17.540 -27.304 1.00 44.25 C ATOM 1144 CG2 VAL A 75 -21.840 18.330 -25.387 1.00 22.33 C ATOM 0 H VAL A 75 -20.260 15.639 -25.162 1.00 3.21 H new ATOM 0 HA VAL A 75 -23.195 15.919 -25.106 1.00 1.22 H new ATOM 0 HB VAL A 75 -21.171 17.145 -27.026 1.00 33.42 H new ATOM 0 HG11 VAL A 75 -23.077 18.496 -27.800 1.00 44.25 H new ATOM 0 HG12 VAL A 75 -23.353 16.757 -28.054 1.00 44.25 H new ATOM 0 HG13 VAL A 75 -24.154 17.597 -26.705 1.00 44.25 H new ATOM 0 HG21 VAL A 75 -21.691 19.276 -25.908 1.00 22.33 H new ATOM 0 HG22 VAL A 75 -22.711 18.408 -24.737 1.00 22.33 H new ATOM 0 HG23 VAL A 75 -20.959 18.103 -24.787 1.00 22.33 H new ATOM 1154 N LEU A 76 -23.614 14.252 -26.900 1.00 42.53 N ATOM 1155 CA LEU A 76 -23.869 13.193 -27.870 1.00 22.31 C ATOM 1156 C LEU A 76 -24.972 13.598 -28.842 1.00 43.34 C ATOM 1157 O LEU A 76 -25.989 14.165 -28.442 1.00 22.53 O ATOM 1158 CB LEU A 76 -24.257 11.899 -27.151 1.00 51.51 C ATOM 1159 CG LEU A 76 -24.193 11.935 -25.624 1.00 13.22 C ATOM 1160 CD1 LEU A 76 -25.435 12.602 -25.053 1.00 52.21 C ATOM 1161 CD2 LEU A 76 -24.036 10.529 -25.064 1.00 4.25 C ATOM 0 H LEU A 76 -24.436 14.548 -26.374 1.00 42.53 H new ATOM 0 HA LEU A 76 -22.954 13.026 -28.438 1.00 22.31 H new ATOM 0 HB2 LEU A 76 -25.272 11.633 -27.446 1.00 51.51 H new ATOM 0 HB3 LEU A 76 -23.603 11.101 -27.503 1.00 51.51 H new ATOM 0 HG LEU A 76 -23.323 12.522 -25.330 1.00 13.22 H new ATOM 0 HD11 LEU A 76 -25.372 12.618 -23.965 1.00 52.21 H new ATOM 0 HD12 LEU A 76 -25.505 13.623 -25.428 1.00 52.21 H new ATOM 0 HD13 LEU A 76 -26.320 12.043 -25.356 1.00 52.21 H new ATOM 0 HD21 LEU A 76 -23.992 10.574 -23.976 1.00 4.25 H new ATOM 0 HD22 LEU A 76 -24.887 9.919 -25.368 1.00 4.25 H new ATOM 0 HD23 LEU A 76 -23.117 10.086 -25.446 1.00 4.25 H new ATOM 1173 N ARG A 77 -24.764 13.303 -30.121 1.00 61.13 N ATOM 1174 CA ARG A 77 -25.741 13.636 -31.151 1.00 21.11 C ATOM 1175 C ARG A 77 -26.295 12.373 -31.803 1.00 71.23 C ATOM 1176 O ARG A 77 -26.109 12.146 -33.000 1.00 24.24 O ATOM 1177 CB ARG A 77 -25.107 14.536 -32.214 1.00 32.45 C ATOM 1178 CG ARG A 77 -24.351 15.721 -31.636 1.00 20.21 C ATOM 1179 CD ARG A 77 -22.847 15.530 -31.748 1.00 45.02 C ATOM 1180 NE ARG A 77 -22.252 16.432 -32.731 1.00 73.13 N ATOM 1181 CZ ARG A 77 -22.141 17.743 -32.552 1.00 43.44 C ATOM 1182 NH1 ARG A 77 -22.580 18.303 -31.434 1.00 12.03 N ATOM 1183 NH2 ARG A 77 -21.588 18.498 -33.494 1.00 20.14 N ATOM 0 H ARG A 77 -23.928 12.834 -30.469 1.00 61.13 H new ATOM 0 HA ARG A 77 -26.564 14.170 -30.677 1.00 21.11 H new ATOM 0 HB2 ARG A 77 -24.424 13.941 -32.821 1.00 32.45 H new ATOM 0 HB3 ARG A 77 -25.888 14.904 -32.880 1.00 32.45 H new ATOM 0 HG2 ARG A 77 -24.643 16.631 -32.160 1.00 20.21 H new ATOM 0 HG3 ARG A 77 -24.625 15.854 -30.589 1.00 20.21 H new ATOM 0 HD2 ARG A 77 -22.387 15.700 -30.775 1.00 45.02 H new ATOM 0 HD3 ARG A 77 -22.632 14.498 -32.026 1.00 45.02 H new ATOM 0 HE ARG A 77 -21.903 16.033 -33.602 1.00 73.13 H new ATOM 0 HH11 ARG A 77 -23.005 17.727 -30.708 1.00 12.03 H new ATOM 0 HH12 ARG A 77 -22.493 19.310 -31.300 1.00 12.03 H new ATOM 0 HH21 ARG A 77 -21.248 18.071 -34.356 1.00 20.14 H new ATOM 0 HH22 ARG A 77 -21.503 19.505 -33.356 1.00 20.14 H new