USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 489 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 Single : A 1 ARG N :NH3+ 164:sc= -17.4! (180deg=-19.1!) USER MOD Single : A 4 HIS : no HD1:sc= -0.077 X(o=-0.077,f=-0.3) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -140:sc= -0.629 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 25 THR OG1 : rot -5:sc= 1.82 USER MOD Single : A 27 SER OG : rot -130:sc= -0.233 USER MOD Single : A 32 ASN : amide:sc= -2.59 K(o=-2.6,f=-11!) USER MOD Single : A 33 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.72) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -160:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0198) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.069 29.610 8.815 1.00 99.99 N ATOM 2 CA ARG A 1 -4.951 30.528 8.892 1.00 0.00 C ATOM 3 C ARG A 1 -5.426 31.892 9.383 1.00 0.00 C ATOM 4 O ARG A 1 -4.852 32.463 10.309 1.00 0.00 O ATOM 5 CB ARG A 1 -4.183 29.808 10.002 1.00 0.00 C ATOM 6 CG ARG A 1 -4.056 28.308 9.781 1.00 0.00 C ATOM 7 CD ARG A 1 -4.946 27.524 10.732 1.00 0.00 C ATOM 8 NE ARG A 1 -5.611 26.408 10.064 1.00 0.00 N ATOM 9 CZ ARG A 1 -6.703 26.537 9.313 1.00 0.00 C ATOM 10 NH1 ARG A 1 -7.258 27.730 9.134 1.00 0.00 N ATOM 11 NH2 ARG A 1 -7.244 25.470 8.741 1.00 0.00 N ATOM 0 H1 ARG A 1 -5.804 28.787 8.237 1.00 99.99 H new ATOM 0 H2 ARG A 1 -6.324 29.293 9.772 1.00 99.99 H new ATOM 0 H3 ARG A 1 -6.883 30.090 8.381 1.00 99.99 H new ATOM 0 HA ARG A 1 -4.410 30.724 7.966 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -3.186 30.241 10.082 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -4.685 29.985 10.953 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -4.322 28.068 8.752 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -3.018 28.006 9.921 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -4.347 27.146 11.560 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -5.696 28.190 11.159 1.00 0.00 H new ATOM 0 HE ARG A 1 -5.216 25.475 10.180 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -6.848 28.554 9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -8.094 27.822 8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -6.824 24.551 8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -8.080 25.569 8.166 1.00 0.00 H new ATOM 27 N ARG A 2 -6.478 32.408 8.755 1.00 0.00 N ATOM 28 CA ARG A 2 -7.029 33.706 9.129 1.00 0.00 C ATOM 29 C ARG A 2 -8.494 33.580 9.536 1.00 0.00 C ATOM 30 O ARG A 2 -8.816 33.546 10.723 1.00 0.00 O ATOM 31 CB ARG A 2 -6.887 34.696 7.970 1.00 0.00 C ATOM 32 CG ARG A 2 -5.657 35.583 8.077 1.00 0.00 C ATOM 33 CD ARG A 2 -5.661 36.387 9.368 1.00 0.00 C ATOM 34 NE ARG A 2 -4.874 35.743 10.417 1.00 0.00 N ATOM 35 CZ ARG A 2 -4.994 36.023 11.713 1.00 0.00 C ATOM 36 NH1 ARG A 2 -5.868 36.933 12.123 1.00 0.00 N ATOM 37 NH2 ARG A 2 -4.239 35.391 12.601 1.00 0.00 N ATOM 0 H ARG A 2 -6.965 31.948 7.986 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.467 34.079 9.985 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.845 34.142 7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.776 35.325 7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.758 34.968 8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.621 36.261 7.225 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.262 37.383 9.176 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.687 36.515 9.712 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.192 35.037 10.140 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.452 37.422 11.444 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.956 37.144 13.117 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.566 34.690 12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.331 35.606 13.594 1.00 0.00 H new ATOM 51 N ARG A 3 -9.380 33.513 8.546 1.00 0.00 N ATOM 52 CA ARG A 3 -10.810 33.392 8.807 1.00 0.00 C ATOM 53 C ARG A 3 -11.514 32.661 7.666 1.00 0.00 C ATOM 54 O ARG A 3 -12.245 33.269 6.884 1.00 0.00 O ATOM 55 CB ARG A 3 -11.433 34.775 9.005 1.00 0.00 C ATOM 56 CG ARG A 3 -11.469 35.225 10.457 1.00 0.00 C ATOM 57 CD ARG A 3 -12.823 34.948 11.091 1.00 0.00 C ATOM 58 NE ARG A 3 -12.952 33.557 11.520 1.00 0.00 N ATOM 59 CZ ARG A 3 -13.841 33.136 12.417 1.00 0.00 C ATOM 60 NH1 ARG A 3 -14.682 33.995 12.982 1.00 0.00 N ATOM 61 NH2 ARG A 3 -13.891 31.854 12.750 1.00 0.00 N ATOM 0 H ARG A 3 -9.133 33.540 7.557 1.00 0.00 H new ATOM 0 HA ARG A 3 -10.938 32.810 9.719 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.871 35.504 8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.449 34.766 8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.690 34.709 11.019 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.250 36.291 10.514 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.963 35.606 11.948 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.612 35.182 10.377 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.323 32.868 11.108 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.649 34.983 12.729 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.361 33.667 13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.248 31.190 12.319 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.572 31.532 13.437 1.00 0.00 H new ATOM 75 N HIS A 4 -11.290 31.354 7.581 1.00 0.00 N ATOM 76 CA HIS A 4 -11.906 30.540 6.539 1.00 0.00 C ATOM 77 C HIS A 4 -11.512 31.037 5.149 1.00 0.00 C ATOM 78 O HIS A 4 -12.274 30.896 4.191 1.00 0.00 O ATOM 79 CB HIS A 4 -13.429 30.549 6.690 1.00 0.00 C ATOM 80 CG HIS A 4 -14.006 29.207 7.015 1.00 0.00 C ATOM 81 ND1 HIS A 4 -13.427 28.337 7.916 1.00 0.00 N ATOM 82 CD2 HIS A 4 -15.118 28.585 6.556 1.00 0.00 C ATOM 83 CE1 HIS A 4 -14.158 27.238 7.994 1.00 0.00 C ATOM 84 NE2 HIS A 4 -15.188 27.364 7.179 1.00 0.00 N ATOM 0 H HIS A 4 -10.687 30.836 8.220 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.544 29.518 6.650 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.704 31.253 7.475 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.876 30.913 5.765 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -15.819 28.977 5.834 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.948 26.382 8.619 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -15.918 26.667 7.035 1.00 0.00 H new ATOM 93 N ILE A 5 -10.320 31.613 5.044 1.00 0.00 N ATOM 94 CA ILE A 5 -9.827 32.125 3.770 1.00 0.00 C ATOM 95 C ILE A 5 -8.735 31.222 3.208 1.00 0.00 C ATOM 96 O ILE A 5 -8.630 31.036 1.996 1.00 0.00 O ATOM 97 CB ILE A 5 -9.270 33.555 3.913 1.00 0.00 C ATOM 98 CG1 ILE A 5 -10.296 34.461 4.599 1.00 0.00 C ATOM 99 CG2 ILE A 5 -8.890 34.117 2.550 1.00 0.00 C ATOM 100 CD1 ILE A 5 -9.683 35.412 5.605 1.00 0.00 C ATOM 0 H ILE A 5 -9.677 31.737 5.826 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.675 32.143 3.085 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.374 33.517 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.824 35.038 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.038 33.841 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.499 35.127 2.669 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.128 33.484 2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.771 34.143 1.909 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.467 36.023 6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -9.178 34.841 6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.962 36.057 5.103 1.00 0.00 H new ATOM 112 N VAL A 6 -7.926 30.662 4.100 1.00 0.00 N ATOM 113 CA VAL A 6 -6.839 29.777 3.700 1.00 0.00 C ATOM 114 C VAL A 6 -7.367 28.394 3.328 1.00 0.00 C ATOM 115 O VAL A 6 -8.190 27.819 4.039 1.00 0.00 O ATOM 116 CB VAL A 6 -5.789 29.640 4.823 1.00 0.00 C ATOM 117 CG1 VAL A 6 -6.440 29.169 6.115 1.00 0.00 C ATOM 118 CG2 VAL A 6 -4.670 28.696 4.405 1.00 0.00 C ATOM 0 H VAL A 6 -8.003 30.806 5.107 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.365 30.224 2.826 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.353 30.623 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.682 29.079 6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.195 29.891 6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.910 28.199 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.942 28.615 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.086 27.711 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.180 29.085 3.512 1.00 0.00 H new ATOM 128 N ARG A 7 -6.885 27.866 2.208 1.00 0.00 N ATOM 129 CA ARG A 7 -7.303 26.551 1.739 1.00 0.00 C ATOM 130 C ARG A 7 -6.098 25.632 1.568 1.00 0.00 C ATOM 131 O ARG A 7 -4.962 26.028 1.831 1.00 0.00 O ATOM 132 CB ARG A 7 -8.057 26.673 0.414 1.00 0.00 C ATOM 133 CG ARG A 7 -7.321 27.496 -0.631 1.00 0.00 C ATOM 134 CD ARG A 7 -7.896 28.899 -0.745 1.00 0.00 C ATOM 135 NE ARG A 7 -6.970 29.818 -1.403 1.00 0.00 N ATOM 136 CZ ARG A 7 -7.183 31.127 -1.521 1.00 0.00 C ATOM 137 NH1 ARG A 7 -8.289 31.673 -1.029 1.00 0.00 N ATOM 138 NH2 ARG A 7 -6.288 31.892 -2.131 1.00 0.00 N ATOM 0 H ARG A 7 -6.203 28.330 1.608 1.00 0.00 H new ATOM 0 HA ARG A 7 -7.968 26.119 2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.239 25.675 0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.031 27.125 0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.264 27.555 -0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.383 26.997 -1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.831 28.863 -1.305 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.134 29.275 0.250 1.00 0.00 H new ATOM 0 HE ARG A 7 -6.110 29.434 -1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.980 31.089 -0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.447 32.676 -1.122 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.436 31.478 -2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.451 32.895 -2.221 1.00 0.00 H new ATOM 152 N LYS A 8 -6.351 24.404 1.122 1.00 0.00 N ATOM 153 CA LYS A 8 -5.285 23.430 0.914 1.00 0.00 C ATOM 154 C LYS A 8 -4.198 23.991 -0.001 1.00 0.00 C ATOM 155 O LYS A 8 -3.025 24.030 0.366 1.00 0.00 O ATOM 156 CB LYS A 8 -5.855 22.140 0.319 1.00 0.00 C ATOM 157 CG LYS A 8 -6.176 21.080 1.358 1.00 0.00 C ATOM 158 CD LYS A 8 -7.398 21.455 2.179 1.00 0.00 C ATOM 159 CE LYS A 8 -7.006 22.041 3.527 1.00 0.00 C ATOM 160 NZ LYS A 8 -8.197 22.387 4.350 1.00 0.00 N ATOM 0 H LYS A 8 -7.285 24.061 0.898 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.836 23.210 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.761 22.377 -0.238 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.139 21.732 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.349 20.125 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.320 20.946 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.000 22.178 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.020 20.573 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.387 21.325 4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.400 22.934 3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.887 22.783 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.775 23.089 3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.762 21.531 4.520 1.00 0.00 H new ATOM 174 N ARG A 9 -4.594 24.420 -1.194 1.00 0.00 N ATOM 175 CA ARG A 9 -3.651 24.973 -2.161 1.00 0.00 C ATOM 176 C ARG A 9 -2.829 26.103 -1.553 1.00 0.00 C ATOM 177 O ARG A 9 -1.731 26.405 -2.025 1.00 0.00 O ATOM 178 CB ARG A 9 -4.395 25.476 -3.400 1.00 0.00 C ATOM 179 CG ARG A 9 -5.408 24.483 -3.946 1.00 0.00 C ATOM 180 CD ARG A 9 -6.825 24.841 -3.523 1.00 0.00 C ATOM 181 NE ARG A 9 -7.650 23.653 -3.313 1.00 0.00 N ATOM 182 CZ ARG A 9 -8.227 22.966 -4.296 1.00 0.00 C ATOM 183 NH1 ARG A 9 -8.072 23.345 -5.559 1.00 0.00 N ATOM 184 NH2 ARG A 9 -8.959 21.897 -4.017 1.00 0.00 N ATOM 0 H ARG A 9 -5.562 24.396 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.967 24.176 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.907 26.406 -3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.670 25.708 -4.180 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.347 24.461 -5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.164 23.481 -3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.792 25.427 -2.604 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.283 25.470 -4.286 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.792 23.331 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.509 24.166 -5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.516 22.815 -6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.080 21.601 -3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.401 21.371 -4.771 1.00 0.00 H new ATOM 198 N THR A 10 -3.359 26.726 -0.509 1.00 0.00 N ATOM 199 CA THR A 10 -2.664 27.819 0.150 1.00 0.00 C ATOM 200 C THR A 10 -1.758 27.313 1.266 1.00 0.00 C ATOM 201 O THR A 10 -0.818 28.000 1.666 1.00 0.00 O ATOM 202 CB THR A 10 -3.657 28.818 0.719 1.00 0.00 C ATOM 203 OG1 THR A 10 -4.567 29.253 -0.276 1.00 0.00 O ATOM 204 CG2 THR A 10 -2.983 30.036 1.299 1.00 0.00 C ATOM 0 H THR A 10 -4.265 26.493 -0.103 1.00 0.00 H new ATOM 0 HA THR A 10 -2.046 28.310 -0.602 1.00 0.00 H new ATOM 0 HB THR A 10 -4.184 28.292 1.515 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.732 30.213 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.738 30.717 1.692 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.314 29.733 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.409 30.540 0.521 1.00 0.00 H new ATOM 212 N LEU A 11 -2.027 26.107 1.761 1.00 0.00 N ATOM 213 CA LEU A 11 -1.207 25.528 2.824 1.00 0.00 C ATOM 214 C LEU A 11 0.263 25.490 2.411 1.00 0.00 C ATOM 215 O LEU A 11 1.143 25.250 3.238 1.00 0.00 O ATOM 216 CB LEU A 11 -1.687 24.116 3.172 1.00 0.00 C ATOM 217 CG LEU A 11 -2.661 24.037 4.346 1.00 0.00 C ATOM 218 CD1 LEU A 11 -3.859 24.940 4.102 1.00 0.00 C ATOM 219 CD2 LEU A 11 -3.112 22.601 4.570 1.00 0.00 C ATOM 0 H LEU A 11 -2.798 25.517 1.448 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.308 26.159 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.165 23.684 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.818 23.498 3.398 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.147 24.379 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.544 24.872 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.521 25.970 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.372 24.626 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.805 22.564 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.609 22.232 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.245 21.977 4.787 1.00 0.00 H new ATOM 231 N ARG A 12 0.521 25.737 1.130 1.00 0.00 N ATOM 232 CA ARG A 12 1.874 25.740 0.608 1.00 0.00 C ATOM 233 C ARG A 12 2.561 27.079 0.870 1.00 0.00 C ATOM 234 O ARG A 12 3.774 27.201 0.718 1.00 0.00 O ATOM 235 CB ARG A 12 1.841 25.450 -0.891 1.00 0.00 C ATOM 236 CG ARG A 12 2.252 24.030 -1.242 1.00 0.00 C ATOM 237 CD ARG A 12 3.683 23.744 -0.814 1.00 0.00 C ATOM 238 NE ARG A 12 3.841 22.386 -0.299 1.00 0.00 N ATOM 239 CZ ARG A 12 4.022 21.315 -1.070 1.00 0.00 C ATOM 240 NH1 ARG A 12 4.057 21.436 -2.392 1.00 0.00 N ATOM 241 NH2 ARG A 12 4.167 20.119 -0.517 1.00 0.00 N ATOM 0 H ARG A 12 -0.198 25.938 0.435 1.00 0.00 H new ATOM 0 HA ARG A 12 2.446 24.965 1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.834 25.632 -1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.503 26.149 -1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.578 23.324 -0.757 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.155 23.877 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.351 23.889 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.982 24.459 -0.047 1.00 0.00 H new ATOM 0 HE ARG A 12 3.811 22.250 0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.945 22.354 -2.823 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.196 20.611 -2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.140 20.020 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.306 19.298 -1.106 1.00 0.00 H new ATOM 255 N ARG A 13 1.778 28.082 1.257 1.00 0.00 N ATOM 256 CA ARG A 13 2.316 29.408 1.530 1.00 0.00 C ATOM 257 C ARG A 13 3.224 29.401 2.760 1.00 0.00 C ATOM 258 O ARG A 13 4.312 29.976 2.738 1.00 0.00 O ATOM 259 CB ARG A 13 1.176 30.416 1.709 1.00 0.00 C ATOM 260 CG ARG A 13 0.325 30.177 2.947 1.00 0.00 C ATOM 261 CD ARG A 13 0.814 31.001 4.129 1.00 0.00 C ATOM 262 NE ARG A 13 0.507 32.420 3.969 1.00 0.00 N ATOM 263 CZ ARG A 13 1.104 33.389 4.658 1.00 0.00 C ATOM 264 NH1 ARG A 13 2.037 33.097 5.555 1.00 0.00 N ATOM 265 NH2 ARG A 13 0.767 34.655 4.449 1.00 0.00 N ATOM 0 H ARG A 13 0.770 28.000 1.388 1.00 0.00 H new ATOM 0 HA ARG A 13 2.921 29.707 0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.597 31.420 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.535 30.383 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.713 30.430 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.348 29.119 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.353 30.631 5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.891 30.873 4.240 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.207 32.683 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.300 32.125 5.719 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.491 33.844 6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.051 34.885 3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.224 35.398 4.977 1.00 0.00 H new ATOM 279 N LEU A 14 2.771 28.760 3.833 1.00 0.00 N ATOM 280 CA LEU A 14 3.546 28.698 5.070 1.00 0.00 C ATOM 281 C LEU A 14 4.739 27.748 4.953 1.00 0.00 C ATOM 282 O LEU A 14 5.848 28.082 5.370 1.00 0.00 O ATOM 283 CB LEU A 14 2.648 28.264 6.231 1.00 0.00 C ATOM 284 CG LEU A 14 2.806 29.086 7.514 1.00 0.00 C ATOM 285 CD1 LEU A 14 1.480 29.714 7.917 1.00 0.00 C ATOM 286 CD2 LEU A 14 3.352 28.221 8.641 1.00 0.00 C ATOM 0 H LEU A 14 1.874 28.277 3.872 1.00 0.00 H new ATOM 0 HA LEU A 14 3.937 29.697 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.609 28.320 5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.855 27.218 6.459 1.00 0.00 H new ATOM 0 HG LEU A 14 3.519 29.887 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.614 30.293 8.830 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.131 30.370 7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.744 28.929 8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.457 28.823 9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.665 27.397 8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.326 27.823 8.355 1.00 0.00 H new ATOM 298 N LEU A 15 4.507 26.560 4.402 1.00 0.00 N ATOM 299 CA LEU A 15 5.562 25.565 4.253 1.00 0.00 C ATOM 300 C LEU A 15 6.656 26.034 3.296 1.00 0.00 C ATOM 301 O LEU A 15 7.826 26.102 3.666 1.00 0.00 O ATOM 302 CB LEU A 15 4.973 24.242 3.758 1.00 0.00 C ATOM 303 CG LEU A 15 3.763 23.739 4.545 1.00 0.00 C ATOM 304 CD1 LEU A 15 3.075 22.605 3.801 1.00 0.00 C ATOM 305 CD2 LEU A 15 4.184 23.289 5.936 1.00 0.00 C ATOM 0 H LEU A 15 3.596 26.264 4.051 1.00 0.00 H new ATOM 0 HA LEU A 15 6.016 25.420 5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.685 24.358 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.752 23.480 3.791 1.00 0.00 H new ATOM 0 HG LEU A 15 3.053 24.560 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.216 22.260 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.740 22.960 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.775 21.781 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.311 22.934 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.913 22.483 5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.631 24.128 6.470 1.00 0.00 H new ATOM 317 N GLN A 16 6.272 26.342 2.062 1.00 0.00 N ATOM 318 CA GLN A 16 7.231 26.788 1.055 1.00 0.00 C ATOM 319 C GLN A 16 7.912 28.092 1.456 1.00 0.00 C ATOM 320 O GLN A 16 9.006 28.396 0.982 1.00 0.00 O ATOM 321 CB GLN A 16 6.543 26.967 -0.296 1.00 0.00 C ATOM 322 CG GLN A 16 6.063 25.664 -0.913 1.00 0.00 C ATOM 323 CD GLN A 16 7.091 25.047 -1.842 1.00 0.00 C ATOM 324 OE1 GLN A 16 8.092 24.487 -1.395 1.00 0.00 O ATOM 325 NE2 GLN A 16 6.850 25.147 -3.144 1.00 0.00 N ATOM 0 H GLN A 16 5.307 26.292 1.735 1.00 0.00 H new ATOM 0 HA GLN A 16 7.996 26.016 0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.692 27.637 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.235 27.452 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.824 24.956 -0.119 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.141 25.846 -1.466 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.008 25.620 -3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.507 24.751 -3.816 1.00 0.00 H new ATOM 334 N GLU A 17 7.267 28.864 2.327 1.00 0.00 N ATOM 335 CA GLU A 17 7.831 30.135 2.777 1.00 0.00 C ATOM 336 C GLU A 17 9.271 29.951 3.245 1.00 0.00 C ATOM 337 O GLU A 17 10.122 30.815 3.033 1.00 0.00 O ATOM 338 CB GLU A 17 6.980 30.723 3.906 1.00 0.00 C ATOM 339 CG GLU A 17 6.411 32.096 3.586 1.00 0.00 C ATOM 340 CD GLU A 17 7.004 33.190 4.453 1.00 0.00 C ATOM 341 OE1 GLU A 17 8.174 33.561 4.223 1.00 0.00 O ATOM 342 OE2 GLU A 17 6.296 33.676 5.361 1.00 0.00 O ATOM 0 H GLU A 17 6.360 28.635 2.733 1.00 0.00 H new ATOM 0 HA GLU A 17 7.828 30.828 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.159 30.040 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.586 30.791 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.598 32.327 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.329 32.077 3.720 1.00 0.00 H new ATOM 349 N ARG A 18 9.532 28.817 3.887 1.00 0.00 N ATOM 350 CA ARG A 18 10.864 28.504 4.395 1.00 0.00 C ATOM 351 C ARG A 18 11.934 28.705 3.324 1.00 0.00 C ATOM 352 O ARG A 18 12.984 29.292 3.586 1.00 0.00 O ATOM 353 CB ARG A 18 10.898 27.065 4.914 1.00 0.00 C ATOM 354 CG ARG A 18 10.632 26.018 3.846 1.00 0.00 C ATOM 355 CD ARG A 18 10.035 24.754 4.446 1.00 0.00 C ATOM 356 NE ARG A 18 9.346 23.945 3.443 1.00 0.00 N ATOM 357 CZ ARG A 18 8.430 23.023 3.735 1.00 0.00 C ATOM 358 NH1 ARG A 18 8.095 22.787 4.997 1.00 0.00 N ATOM 359 NH2 ARG A 18 7.848 22.336 2.762 1.00 0.00 N ATOM 0 H ARG A 18 8.834 28.095 4.069 1.00 0.00 H new ATOM 0 HA ARG A 18 11.083 29.189 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.873 26.874 5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.157 26.958 5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.952 26.424 3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.562 25.775 3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.826 24.163 4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.336 25.024 5.237 1.00 0.00 H new ATOM 0 HE ARG A 18 9.580 24.095 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.540 23.313 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.393 22.080 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.102 22.513 1.790 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.147 21.630 2.985 1.00 0.00 H new ATOM 373 N GLU A 19 11.662 28.217 2.117 1.00 0.00 N ATOM 374 CA GLU A 19 12.605 28.347 1.008 1.00 0.00 C ATOM 375 C GLU A 19 13.964 27.750 1.366 1.00 0.00 C ATOM 376 O GLU A 19 14.994 28.165 0.836 1.00 0.00 O ATOM 377 CB GLU A 19 12.766 29.817 0.619 1.00 0.00 C ATOM 378 CG GLU A 19 11.479 30.461 0.131 1.00 0.00 C ATOM 379 CD GLU A 19 11.644 31.939 -0.167 1.00 0.00 C ATOM 380 OE1 GLU A 19 11.689 32.736 0.794 1.00 0.00 O ATOM 381 OE2 GLU A 19 11.725 32.300 -1.360 1.00 0.00 O ATOM 0 H GLU A 19 10.798 27.729 1.881 1.00 0.00 H new ATOM 0 HA GLU A 19 12.203 27.794 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.137 30.373 1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.522 29.897 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.139 29.948 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.703 30.330 0.885 1.00 0.00 H new ATOM 388 N LEU A 20 13.956 26.773 2.266 1.00 0.00 N ATOM 389 CA LEU A 20 15.184 26.115 2.695 1.00 0.00 C ATOM 390 C LEU A 20 15.034 24.599 2.621 1.00 0.00 C ATOM 391 O LEU A 20 15.918 23.901 2.124 1.00 0.00 O ATOM 392 CB LEU A 20 15.541 26.533 4.123 1.00 0.00 C ATOM 393 CG LEU A 20 15.853 28.020 4.305 1.00 0.00 C ATOM 394 CD1 LEU A 20 15.634 28.436 5.750 1.00 0.00 C ATOM 395 CD2 LEU A 20 17.281 28.321 3.871 1.00 0.00 C ATOM 0 H LEU A 20 13.111 26.419 2.713 1.00 0.00 H new ATOM 0 HA LEU A 20 15.987 26.421 2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.713 26.268 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.405 25.954 4.449 1.00 0.00 H new ATOM 0 HG LEU A 20 15.174 28.596 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.860 29.496 5.862 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.595 28.256 6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.289 27.855 6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.486 29.383 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.976 27.737 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.405 28.059 2.820 1.00 0.00 H new ATOM 407 N VAL A 21 13.907 24.097 3.115 1.00 0.00 N ATOM 408 CA VAL A 21 13.638 22.665 3.104 1.00 0.00 C ATOM 409 C VAL A 21 13.064 22.227 1.762 1.00 0.00 C ATOM 410 O VAL A 21 11.947 22.600 1.400 1.00 0.00 O ATOM 411 CB VAL A 21 12.659 22.265 4.223 1.00 0.00 C ATOM 412 CG1 VAL A 21 12.559 20.751 4.327 1.00 0.00 C ATOM 413 CG2 VAL A 21 13.086 22.873 5.550 1.00 0.00 C ATOM 0 H VAL A 21 13.165 24.662 3.528 1.00 0.00 H new ATOM 0 HA VAL A 21 14.591 22.164 3.272 1.00 0.00 H new ATOM 0 HB VAL A 21 11.672 22.655 3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.863 20.486 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 21 12.201 20.344 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.542 20.336 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.382 22.579 6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.083 22.517 5.809 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.100 23.960 5.465 1.00 0.00 H new ATOM 423 N GLU A 22 13.832 21.429 1.030 1.00 0.00 N ATOM 424 CA GLU A 22 13.402 20.933 -0.271 1.00 0.00 C ATOM 425 C GLU A 22 14.430 19.960 -0.846 1.00 0.00 C ATOM 426 O GLU A 22 14.091 18.835 -1.214 1.00 0.00 O ATOM 427 CB GLU A 22 13.174 22.097 -1.241 1.00 0.00 C ATOM 428 CG GLU A 22 11.848 22.023 -1.979 1.00 0.00 C ATOM 429 CD GLU A 22 11.694 23.122 -3.012 1.00 0.00 C ATOM 430 OE1 GLU A 22 12.347 24.176 -2.859 1.00 0.00 O ATOM 431 OE2 GLU A 22 10.919 22.929 -3.972 1.00 0.00 O ATOM 0 H GLU A 22 14.758 21.111 1.316 1.00 0.00 H new ATOM 0 HA GLU A 22 12.460 20.401 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.220 23.035 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.985 22.116 -1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.763 21.053 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.032 22.089 -1.260 1.00 0.00 H new ATOM 438 N PRO A 23 15.707 20.378 -0.928 1.00 0.00 N ATOM 439 CA PRO A 23 16.782 19.533 -1.458 1.00 0.00 C ATOM 440 C PRO A 23 17.139 18.397 -0.502 1.00 0.00 C ATOM 441 O PRO A 23 18.268 18.311 -0.015 1.00 0.00 O ATOM 442 CB PRO A 23 17.970 20.500 -1.614 1.00 0.00 C ATOM 443 CG PRO A 23 17.413 21.869 -1.396 1.00 0.00 C ATOM 444 CD PRO A 23 16.211 21.693 -0.517 1.00 0.00 C ATOM 0 HA PRO A 23 16.495 19.048 -2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 23 18.753 20.277 -0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 23 18.417 20.413 -2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 23 18.150 22.519 -0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 23 17.139 22.334 -2.343 1.00 0.00 H new ATOM 0 HD2 PRO A 23 16.475 21.714 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.473 22.479 -0.677 1.00 0.00 H new ATOM 452 N LEU A 24 16.170 17.528 -0.233 1.00 0.00 N ATOM 453 CA LEU A 24 16.384 16.402 0.668 1.00 0.00 C ATOM 454 C LEU A 24 15.673 15.152 0.159 1.00 0.00 C ATOM 455 O LEU A 24 16.310 14.138 -0.129 1.00 0.00 O ATOM 456 CB LEU A 24 15.889 16.749 2.074 1.00 0.00 C ATOM 457 CG LEU A 24 16.003 15.619 3.100 1.00 0.00 C ATOM 458 CD1 LEU A 24 16.460 16.163 4.446 1.00 0.00 C ATOM 459 CD2 LEU A 24 14.674 14.891 3.241 1.00 0.00 C ATOM 0 H LEU A 24 15.230 17.582 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 24 17.454 16.197 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.452 17.608 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.845 17.056 2.009 1.00 0.00 H new ATOM 0 HG LEU A 24 16.749 14.907 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.535 15.345 5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.434 16.638 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.738 16.896 4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.773 14.091 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.908 15.593 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.387 14.467 2.278 1.00 0.00 H new ATOM 471 N THR A 25 14.351 15.230 0.050 1.00 0.00 N ATOM 472 CA THR A 25 13.550 14.105 -0.424 1.00 0.00 C ATOM 473 C THR A 25 13.818 12.853 0.413 1.00 0.00 C ATOM 474 O THR A 25 14.785 12.130 0.169 1.00 0.00 O ATOM 475 CB THR A 25 13.846 13.823 -1.899 1.00 0.00 C ATOM 476 OG1 THR A 25 15.090 13.159 -2.047 1.00 0.00 O ATOM 477 CG2 THR A 25 13.887 15.074 -2.751 1.00 0.00 C ATOM 0 H THR A 25 13.810 16.062 0.284 1.00 0.00 H new ATOM 0 HA THR A 25 12.498 14.371 -0.319 1.00 0.00 H new ATOM 0 HB THR A 25 13.023 13.196 -2.242 1.00 0.00 H new ATOM 0 HG1 THR A 25 15.535 13.099 -1.176 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.101 14.803 -3.785 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.923 15.580 -2.701 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.666 15.740 -2.382 1.00 0.00 H new ATOM 485 N PRO A 26 12.963 12.579 1.416 1.00 0.00 N ATOM 486 CA PRO A 26 13.117 11.410 2.287 1.00 0.00 C ATOM 487 C PRO A 26 13.339 10.122 1.500 1.00 0.00 C ATOM 488 O PRO A 26 13.965 9.183 1.992 1.00 0.00 O ATOM 489 CB PRO A 26 11.787 11.353 3.038 1.00 0.00 C ATOM 490 CG PRO A 26 11.311 12.764 3.066 1.00 0.00 C ATOM 491 CD PRO A 26 11.782 13.387 1.780 1.00 0.00 C ATOM 0 HA PRO A 26 13.988 11.498 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.073 10.704 2.531 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.917 10.958 4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.225 12.808 3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.715 13.295 3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.013 13.344 1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.041 14.437 1.914 1.00 0.00 H new ATOM 499 N SER A 27 12.824 10.084 0.276 1.00 0.00 N ATOM 500 CA SER A 27 12.969 8.911 -0.578 1.00 0.00 C ATOM 501 C SER A 27 12.949 9.304 -2.052 1.00 0.00 C ATOM 502 O SER A 27 13.866 8.976 -2.804 1.00 0.00 O ATOM 503 CB SER A 27 11.853 7.904 -0.290 1.00 0.00 C ATOM 504 OG SER A 27 10.738 8.537 0.313 1.00 0.00 O ATOM 0 H SER A 27 12.303 10.852 -0.147 1.00 0.00 H new ATOM 0 HA SER A 27 13.931 8.449 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.544 7.423 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.228 7.119 0.366 1.00 0.00 H new ATOM 0 HG SER A 27 10.472 8.038 1.113 1.00 0.00 H new ATOM 510 N GLY A 28 11.898 10.009 -2.456 1.00 0.00 N ATOM 511 CA GLY A 28 11.780 10.435 -3.838 1.00 0.00 C ATOM 512 C GLY A 28 10.346 10.422 -4.329 1.00 0.00 C ATOM 513 O GLY A 28 9.816 11.452 -4.745 1.00 0.00 O ATOM 0 H GLY A 28 11.127 10.293 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.187 11.441 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.383 9.782 -4.469 1.00 0.00 H new ATOM 517 N GLU A 29 9.716 9.253 -4.281 1.00 0.00 N ATOM 518 CA GLU A 29 8.335 9.112 -4.726 1.00 0.00 C ATOM 519 C GLU A 29 7.676 7.892 -4.087 1.00 0.00 C ATOM 520 O GLU A 29 6.960 7.143 -4.752 1.00 0.00 O ATOM 521 CB GLU A 29 8.279 8.996 -6.251 1.00 0.00 C ATOM 522 CG GLU A 29 8.609 10.293 -6.970 1.00 0.00 C ATOM 523 CD GLU A 29 8.206 10.268 -8.432 1.00 0.00 C ATOM 524 OE1 GLU A 29 8.768 9.446 -9.189 1.00 0.00 O ATOM 525 OE2 GLU A 29 7.329 11.067 -8.821 1.00 0.00 O ATOM 0 H GLU A 29 10.140 8.391 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 29 7.787 10.001 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.976 8.223 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.282 8.670 -6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.103 11.120 -6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.680 10.483 -6.895 1.00 0.00 H new ATOM 532 N ALA A 30 7.921 7.699 -2.795 1.00 0.00 N ATOM 533 CA ALA A 30 7.349 6.569 -2.073 1.00 0.00 C ATOM 534 C ALA A 30 6.186 7.009 -1.179 1.00 0.00 C ATOM 535 O ALA A 30 5.034 6.675 -1.453 1.00 0.00 O ATOM 536 CB ALA A 30 8.420 5.857 -1.260 1.00 0.00 C ATOM 0 H ALA A 30 8.510 8.309 -2.228 1.00 0.00 H new ATOM 0 HA ALA A 30 6.952 5.868 -2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.974 5.017 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.200 5.491 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.854 6.552 -0.541 1.00 0.00 H new ATOM 542 N PRO A 31 6.461 7.766 -0.096 1.00 0.00 N ATOM 543 CA PRO A 31 5.409 8.228 0.811 1.00 0.00 C ATOM 544 C PRO A 31 4.582 9.364 0.213 1.00 0.00 C ATOM 545 O PRO A 31 3.366 9.249 0.075 1.00 0.00 O ATOM 546 CB PRO A 31 6.180 8.707 2.042 1.00 0.00 C ATOM 547 CG PRO A 31 7.534 9.078 1.539 1.00 0.00 C ATOM 548 CD PRO A 31 7.800 8.221 0.328 1.00 0.00 C ATOM 0 HA PRO A 31 4.687 7.442 1.030 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.686 9.560 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.242 7.923 2.797 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.573 10.136 1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.290 8.909 2.305 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.296 8.788 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.448 7.379 0.571 1.00 0.00 H new ATOM 556 N ASN A 32 5.249 10.466 -0.127 1.00 0.00 N ATOM 557 CA ASN A 32 4.581 11.635 -0.702 1.00 0.00 C ATOM 558 C ASN A 32 3.540 11.238 -1.749 1.00 0.00 C ATOM 559 O ASN A 32 2.390 11.671 -1.682 1.00 0.00 O ATOM 560 CB ASN A 32 5.609 12.585 -1.327 1.00 0.00 C ATOM 561 CG ASN A 32 6.743 11.851 -2.016 1.00 0.00 C ATOM 562 OD1 ASN A 32 6.611 11.412 -3.158 1.00 0.00 O ATOM 563 ND2 ASN A 32 7.868 11.715 -1.323 1.00 0.00 N ATOM 0 H ASN A 32 6.257 10.575 -0.014 1.00 0.00 H new ATOM 0 HA ASN A 32 4.063 12.144 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.109 13.231 -2.048 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.019 13.231 -0.551 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.666 11.231 -1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.934 12.095 -0.379 1.00 0.00 H new ATOM 570 N GLN A 33 3.945 10.418 -2.714 1.00 0.00 N ATOM 571 CA GLN A 33 3.033 9.980 -3.765 1.00 0.00 C ATOM 572 C GLN A 33 1.914 9.115 -3.196 1.00 0.00 C ATOM 573 O GLN A 33 0.835 9.021 -3.781 1.00 0.00 O ATOM 574 CB GLN A 33 3.779 9.211 -4.851 1.00 0.00 C ATOM 575 CG GLN A 33 5.053 9.898 -5.318 1.00 0.00 C ATOM 576 CD GLN A 33 5.007 10.279 -6.785 1.00 0.00 C ATOM 577 OE1 GLN A 33 4.589 9.489 -7.632 1.00 0.00 O ATOM 578 NE2 GLN A 33 5.438 11.497 -7.093 1.00 0.00 N ATOM 0 H GLN A 33 4.892 10.046 -2.790 1.00 0.00 H new ATOM 0 HA GLN A 33 2.593 10.874 -4.207 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.028 8.218 -4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.117 9.072 -5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.219 10.793 -4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.902 9.237 -5.145 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.776 12.119 -6.359 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.431 11.810 -8.064 1.00 0.00 H new ATOM 587 N ALA A 34 2.164 8.504 -2.043 1.00 0.00 N ATOM 588 CA ALA A 34 1.163 7.676 -1.394 1.00 0.00 C ATOM 589 C ALA A 34 -0.002 8.549 -0.968 1.00 0.00 C ATOM 590 O ALA A 34 -1.140 8.331 -1.381 1.00 0.00 O ATOM 591 CB ALA A 34 1.761 6.952 -0.197 1.00 0.00 C ATOM 0 H ALA A 34 3.050 8.568 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 34 0.808 6.920 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.995 6.337 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.583 6.317 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.134 7.682 0.521 1.00 0.00 H new ATOM 597 N LEU A 35 0.305 9.563 -0.166 1.00 0.00 N ATOM 598 CA LEU A 35 -0.705 10.506 0.292 1.00 0.00 C ATOM 599 C LEU A 35 -1.211 11.326 -0.888 1.00 0.00 C ATOM 600 O LEU A 35 -2.344 11.807 -0.891 1.00 0.00 O ATOM 601 CB LEU A 35 -0.138 11.445 1.363 1.00 0.00 C ATOM 602 CG LEU A 35 1.004 10.870 2.201 1.00 0.00 C ATOM 603 CD1 LEU A 35 2.342 11.333 1.651 1.00 0.00 C ATOM 604 CD2 LEU A 35 0.855 11.274 3.660 1.00 0.00 C ATOM 0 H LEU A 35 1.246 9.752 0.180 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.527 9.941 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.214 12.354 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.947 11.735 2.033 1.00 0.00 H new ATOM 0 HG LEU A 35 0.963 9.782 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.148 10.917 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.449 10.993 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.391 12.422 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.678 10.855 4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.872 12.361 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.091 10.896 4.047 1.00 0.00 H new ATOM 616 N LEU A 36 -0.345 11.489 -1.888 1.00 0.00 N ATOM 617 CA LEU A 36 -0.678 12.259 -3.075 1.00 0.00 C ATOM 618 C LEU A 36 -1.882 11.674 -3.814 1.00 0.00 C ATOM 619 O LEU A 36 -2.783 12.410 -4.202 1.00 0.00 O ATOM 620 CB LEU A 36 0.533 12.361 -4.013 1.00 0.00 C ATOM 621 CG LEU A 36 0.244 12.969 -5.389 1.00 0.00 C ATOM 622 CD1 LEU A 36 -0.322 14.373 -5.245 1.00 0.00 C ATOM 623 CD2 LEU A 36 1.507 12.985 -6.237 1.00 0.00 C ATOM 0 H LEU A 36 0.595 11.094 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.951 13.262 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.302 12.959 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.948 11.363 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.501 12.351 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.521 14.788 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.250 14.335 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.398 15.004 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.285 13.420 -7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.272 13.581 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.870 11.966 -6.369 1.00 0.00 H new ATOM 635 N ARG A 37 -1.891 10.364 -4.052 1.00 0.00 N ATOM 636 CA ARG A 37 -2.995 9.751 -4.785 1.00 0.00 C ATOM 637 C ARG A 37 -3.941 8.956 -3.897 1.00 0.00 C ATOM 638 O ARG A 37 -5.036 8.622 -4.333 1.00 0.00 O ATOM 639 CB ARG A 37 -2.449 8.851 -5.895 1.00 0.00 C ATOM 640 CG ARG A 37 -1.464 7.807 -5.401 1.00 0.00 C ATOM 641 CD ARG A 37 -1.614 6.497 -6.158 1.00 0.00 C ATOM 642 NE ARG A 37 -0.368 5.735 -6.188 1.00 0.00 N ATOM 643 CZ ARG A 37 -0.300 4.435 -6.463 1.00 0.00 C ATOM 644 NH1 ARG A 37 -1.404 3.747 -6.731 1.00 0.00 N ATOM 645 NH2 ARG A 37 0.874 3.820 -6.469 1.00 0.00 N ATOM 0 H ARG A 37 -1.161 9.717 -3.754 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.576 10.569 -5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.282 8.349 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.962 9.471 -6.647 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.447 8.181 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.620 7.633 -4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.395 5.896 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.937 6.703 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 37 0.501 6.229 -5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.310 4.215 -6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.346 2.751 -6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.725 4.343 -6.263 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.927 2.823 -6.680 1.00 0.00 H new ATOM 659 N ILE A 38 -3.555 8.656 -2.659 1.00 0.00 N ATOM 660 CA ILE A 38 -4.449 7.900 -1.787 1.00 0.00 C ATOM 661 C ILE A 38 -5.591 8.772 -1.275 1.00 0.00 C ATOM 662 O ILE A 38 -6.756 8.401 -1.375 1.00 0.00 O ATOM 663 CB ILE A 38 -3.714 7.266 -0.587 1.00 0.00 C ATOM 664 CG1 ILE A 38 -4.656 6.328 0.166 1.00 0.00 C ATOM 665 CG2 ILE A 38 -3.179 8.337 0.346 1.00 0.00 C ATOM 666 CD1 ILE A 38 -4.692 4.925 -0.396 1.00 0.00 C ATOM 0 H ILE A 38 -2.659 8.915 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.853 7.094 -2.400 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.868 6.692 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.351 6.284 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.663 6.745 0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.665 7.866 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.481 8.975 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.006 8.940 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.382 4.316 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.026 4.957 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.694 4.489 -0.350 1.00 0.00 H new ATOM 678 N LEU A 39 -5.259 9.939 -0.743 1.00 0.00 N ATOM 679 CA LEU A 39 -6.271 10.850 -0.231 1.00 0.00 C ATOM 680 C LEU A 39 -7.219 11.281 -1.345 1.00 0.00 C ATOM 681 O LEU A 39 -8.332 11.727 -1.084 1.00 0.00 O ATOM 682 CB LEU A 39 -5.611 12.080 0.398 1.00 0.00 C ATOM 683 CG LEU A 39 -6.417 12.755 1.509 1.00 0.00 C ATOM 684 CD1 LEU A 39 -7.650 13.435 0.935 1.00 0.00 C ATOM 685 CD2 LEU A 39 -6.811 11.743 2.573 1.00 0.00 C ATOM 0 H LEU A 39 -4.300 10.276 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.846 10.327 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.642 11.786 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.421 12.812 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.791 13.516 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.211 13.910 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.345 14.190 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.279 12.693 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.384 12.242 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.419 10.959 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.913 11.302 3.006 1.00 0.00 H new ATOM 697 N LYS A 40 -6.759 11.162 -2.587 1.00 0.00 N ATOM 698 CA LYS A 40 -7.556 11.555 -3.740 1.00 0.00 C ATOM 699 C LYS A 40 -8.238 10.356 -4.382 1.00 0.00 C ATOM 700 O LYS A 40 -9.398 10.432 -4.789 1.00 0.00 O ATOM 701 CB LYS A 40 -6.671 12.260 -4.767 1.00 0.00 C ATOM 702 CG LYS A 40 -6.360 13.704 -4.412 1.00 0.00 C ATOM 703 CD LYS A 40 -5.737 13.831 -3.027 1.00 0.00 C ATOM 704 CE LYS A 40 -4.278 14.240 -3.105 1.00 0.00 C ATOM 705 NZ LYS A 40 -4.052 15.609 -2.565 1.00 0.00 N ATOM 0 H LYS A 40 -5.836 10.795 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.332 12.238 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.736 11.710 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.163 12.231 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.680 14.121 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.277 14.293 -4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.291 14.567 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.821 12.880 -2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.671 13.526 -2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.945 14.200 -4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.043 15.848 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.611 16.295 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.345 15.641 -1.568 1.00 0.00 H new ATOM 719 N GLU A 41 -7.515 9.248 -4.472 1.00 0.00 N ATOM 720 CA GLU A 41 -8.064 8.035 -5.068 1.00 0.00 C ATOM 721 C GLU A 41 -8.753 7.173 -4.015 1.00 0.00 C ATOM 722 O GLU A 41 -9.309 6.119 -4.325 1.00 0.00 O ATOM 723 CB GLU A 41 -6.954 7.252 -5.776 1.00 0.00 C ATOM 724 CG GLU A 41 -6.095 6.419 -4.839 1.00 0.00 C ATOM 725 CD GLU A 41 -6.443 4.944 -4.878 1.00 0.00 C ATOM 726 OE1 GLU A 41 -7.578 4.612 -5.280 1.00 0.00 O ATOM 727 OE2 GLU A 41 -5.580 4.121 -4.507 1.00 0.00 O ATOM 0 H GLU A 41 -6.553 9.163 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.815 8.318 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.404 6.596 -6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.315 7.952 -6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.046 6.547 -5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.213 6.789 -3.820 1.00 0.00 H new ATOM 734 N THR A 42 -8.718 7.636 -2.774 1.00 0.00 N ATOM 735 CA THR A 42 -9.341 6.925 -1.672 1.00 0.00 C ATOM 736 C THR A 42 -10.110 7.897 -0.772 1.00 0.00 C ATOM 737 O THR A 42 -10.593 7.517 0.295 1.00 0.00 O ATOM 738 CB THR A 42 -8.275 6.168 -0.874 1.00 0.00 C ATOM 739 OG1 THR A 42 -7.692 5.149 -1.666 1.00 0.00 O ATOM 740 CG2 THR A 42 -8.799 5.519 0.389 1.00 0.00 C ATOM 0 H THR A 42 -8.261 8.507 -2.506 1.00 0.00 H new ATOM 0 HA THR A 42 -10.054 6.204 -2.072 1.00 0.00 H new ATOM 0 HB THR A 42 -7.545 6.926 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.264 4.487 -1.084 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.985 5.003 0.898 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.211 6.284 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.579 4.802 0.133 1.00 0.00 H new ATOM 748 N GLU A 43 -10.229 9.156 -1.213 1.00 0.00 N ATOM 749 CA GLU A 43 -10.945 10.176 -0.446 1.00 0.00 C ATOM 750 C GLU A 43 -12.261 9.631 0.093 1.00 0.00 C ATOM 751 O GLU A 43 -12.484 9.609 1.304 1.00 0.00 O ATOM 752 CB GLU A 43 -11.218 11.424 -1.300 1.00 0.00 C ATOM 753 CG GLU A 43 -11.689 11.127 -2.716 1.00 0.00 C ATOM 754 CD GLU A 43 -11.537 12.319 -3.641 1.00 0.00 C ATOM 755 OE1 GLU A 43 -10.401 12.586 -4.085 1.00 0.00 O ATOM 756 OE2 GLU A 43 -12.555 12.986 -3.921 1.00 0.00 O ATOM 0 H GLU A 43 -9.839 9.489 -2.095 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.307 10.456 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.971 12.034 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.307 12.021 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.121 10.287 -3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.735 10.822 -2.691 1.00 0.00 H new ATOM 763 N PHE A 44 -13.135 9.199 -0.809 1.00 0.00 N ATOM 764 CA PHE A 44 -14.430 8.665 -0.417 1.00 0.00 C ATOM 765 C PHE A 44 -14.367 7.157 -0.194 1.00 0.00 C ATOM 766 O PHE A 44 -15.195 6.592 0.520 1.00 0.00 O ATOM 767 CB PHE A 44 -15.479 8.988 -1.483 1.00 0.00 C ATOM 768 CG PHE A 44 -16.033 10.381 -1.377 1.00 0.00 C ATOM 769 CD1 PHE A 44 -15.191 11.464 -1.183 1.00 0.00 C ATOM 770 CD2 PHE A 44 -17.397 10.605 -1.473 1.00 0.00 C ATOM 771 CE1 PHE A 44 -15.700 12.746 -1.087 1.00 0.00 C ATOM 772 CE2 PHE A 44 -17.912 11.883 -1.376 1.00 0.00 C ATOM 773 CZ PHE A 44 -17.062 12.956 -1.183 1.00 0.00 C ATOM 0 H PHE A 44 -12.969 9.209 -1.815 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.712 9.136 0.525 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -15.035 8.856 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.298 8.273 -1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -14.126 11.305 -1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -18.065 9.770 -1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.033 13.582 -0.937 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -18.977 12.044 -1.451 1.00 0.00 H new ATOM 0 HZ PHE A 44 -17.462 13.956 -1.107 1.00 0.00 H new ATOM 783 N LYS A 45 -13.391 6.502 -0.817 1.00 0.00 N ATOM 784 CA LYS A 45 -13.246 5.055 -0.684 1.00 0.00 C ATOM 785 C LYS A 45 -13.058 4.640 0.777 1.00 0.00 C ATOM 786 O LYS A 45 -13.723 3.723 1.258 1.00 0.00 O ATOM 787 CB LYS A 45 -12.067 4.554 -1.522 1.00 0.00 C ATOM 788 CG LYS A 45 -12.048 5.089 -2.946 1.00 0.00 C ATOM 789 CD LYS A 45 -13.322 4.741 -3.697 1.00 0.00 C ATOM 790 CE LYS A 45 -13.662 5.800 -4.733 1.00 0.00 C ATOM 791 NZ LYS A 45 -14.938 5.497 -5.439 1.00 0.00 N ATOM 0 H LYS A 45 -12.694 6.946 -1.415 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.166 4.600 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.137 4.835 -1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.094 3.465 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.922 6.172 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.189 4.678 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.205 3.775 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.147 4.642 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.738 6.772 -4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.853 5.870 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.134 6.243 -6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.857 4.581 -5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.715 5.456 -4.749 1.00 0.00 H new ATOM 805 N LYS A 46 -12.135 5.300 1.472 1.00 0.00 N ATOM 806 CA LYS A 46 -11.852 4.974 2.867 1.00 0.00 C ATOM 807 C LYS A 46 -12.986 5.398 3.798 1.00 0.00 C ATOM 808 O LYS A 46 -13.274 4.713 4.781 1.00 0.00 O ATOM 809 CB LYS A 46 -10.541 5.627 3.312 1.00 0.00 C ATOM 810 CG LYS A 46 -10.577 7.147 3.298 1.00 0.00 C ATOM 811 CD LYS A 46 -10.592 7.718 4.708 1.00 0.00 C ATOM 812 CE LYS A 46 -10.185 9.183 4.720 1.00 0.00 C ATOM 813 NZ LYS A 46 -8.714 9.352 4.567 1.00 0.00 N ATOM 0 H LYS A 46 -11.572 6.062 1.093 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.759 3.890 2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.301 5.288 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.737 5.286 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.709 7.527 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.461 7.486 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.590 7.613 5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.914 7.146 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.697 9.708 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.508 9.642 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.466 10.355 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.223 8.789 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.424 9.030 3.622 1.00 0.00 H new ATOM 827 N ILE A 47 -13.618 6.532 3.506 1.00 0.00 N ATOM 828 CA ILE A 47 -14.700 7.023 4.352 1.00 0.00 C ATOM 829 C ILE A 47 -15.957 6.160 4.224 1.00 0.00 C ATOM 830 O ILE A 47 -16.491 5.691 5.227 1.00 0.00 O ATOM 831 CB ILE A 47 -15.034 8.509 4.073 1.00 0.00 C ATOM 832 CG1 ILE A 47 -15.807 8.670 2.760 1.00 0.00 C ATOM 833 CG2 ILE A 47 -13.754 9.337 4.048 1.00 0.00 C ATOM 834 CD1 ILE A 47 -16.043 10.111 2.362 1.00 0.00 C ATOM 0 H ILE A 47 -13.403 7.121 2.701 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.341 6.951 5.379 1.00 0.00 H new ATOM 0 HB ILE A 47 -15.674 8.871 4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -15.259 8.168 1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.769 8.166 2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.000 10.381 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.251 9.258 5.012 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.095 8.965 3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.596 10.143 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.619 10.614 3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.085 10.615 2.237 1.00 0.00 H new ATOM 846 N LYS A 48 -16.435 5.955 2.998 1.00 0.00 N ATOM 847 CA LYS A 48 -17.635 5.151 2.774 1.00 0.00 C ATOM 848 C LYS A 48 -17.537 3.809 3.494 1.00 0.00 C ATOM 849 O LYS A 48 -18.538 3.276 3.975 1.00 0.00 O ATOM 850 CB LYS A 48 -17.851 4.926 1.277 1.00 0.00 C ATOM 851 CG LYS A 48 -16.748 4.115 0.617 1.00 0.00 C ATOM 852 CD LYS A 48 -16.795 4.238 -0.897 1.00 0.00 C ATOM 853 CE LYS A 48 -18.063 3.621 -1.467 1.00 0.00 C ATOM 854 NZ LYS A 48 -17.866 2.193 -1.839 1.00 0.00 N ATOM 0 H LYS A 48 -16.013 6.332 2.149 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.487 5.697 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.803 4.417 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.926 5.893 0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.778 4.455 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.846 3.067 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.742 5.289 -1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.924 3.747 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -18.866 3.698 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -18.378 4.185 -2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -18.753 1.809 -2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.118 2.122 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -17.590 1.650 -0.996 1.00 0.00 H new ATOM 868 N VAL A 49 -16.326 3.268 3.560 1.00 0.00 N ATOM 869 CA VAL A 49 -16.092 1.987 4.215 1.00 0.00 C ATOM 870 C VAL A 49 -16.003 2.140 5.732 1.00 0.00 C ATOM 871 O VAL A 49 -16.308 1.209 6.477 1.00 0.00 O ATOM 872 CB VAL A 49 -14.796 1.331 3.703 1.00 0.00 C ATOM 873 CG1 VAL A 49 -14.635 -0.067 4.284 1.00 0.00 C ATOM 874 CG2 VAL A 49 -14.784 1.287 2.183 1.00 0.00 C ATOM 0 H VAL A 49 -15.489 3.698 3.167 1.00 0.00 H new ATOM 0 HA VAL A 49 -16.943 1.351 3.972 1.00 0.00 H new ATOM 0 HB VAL A 49 -13.952 1.936 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -13.713 -0.513 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -14.593 -0.006 5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -15.483 -0.684 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.861 0.820 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -15.637 0.708 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -14.846 2.301 1.789 1.00 0.00 H new ATOM 884 N LEU A 50 -15.575 3.314 6.186 1.00 0.00 N ATOM 885 CA LEU A 50 -15.438 3.576 7.615 1.00 0.00 C ATOM 886 C LEU A 50 -16.739 4.109 8.209 1.00 0.00 C ATOM 887 O LEU A 50 -17.031 3.888 9.385 1.00 0.00 O ATOM 888 CB LEU A 50 -14.304 4.573 7.864 1.00 0.00 C ATOM 889 CG LEU A 50 -12.897 4.023 7.626 1.00 0.00 C ATOM 890 CD1 LEU A 50 -11.890 5.159 7.528 1.00 0.00 C ATOM 891 CD2 LEU A 50 -12.509 3.057 8.735 1.00 0.00 C ATOM 0 H LEU A 50 -15.317 4.098 5.586 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.202 2.632 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.453 5.439 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.371 4.927 8.893 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.894 3.480 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.894 4.749 7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.159 5.813 6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.894 5.730 8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.505 2.675 8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.529 3.576 9.693 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.215 2.227 8.758 1.00 0.00 H new ATOM 903 N GLY A 51 -17.513 4.813 7.393 1.00 0.00 N ATOM 904 CA GLY A 51 -18.770 5.368 7.859 1.00 0.00 C ATOM 905 C GLY A 51 -19.969 4.575 7.378 1.00 0.00 C ATOM 906 O GLY A 51 -21.010 5.145 7.054 1.00 0.00 O ATOM 0 H GLY A 51 -17.293 5.010 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.770 5.395 8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.858 6.398 7.515 1.00 0.00 H new ATOM 910 N SER A 52 -19.821 3.254 7.332 1.00 0.00 N ATOM 911 CA SER A 52 -20.902 2.381 6.887 1.00 0.00 C ATOM 912 C SER A 52 -22.138 2.555 7.764 1.00 0.00 C ATOM 913 O SER A 52 -23.265 2.353 7.312 1.00 0.00 O ATOM 914 CB SER A 52 -20.447 0.921 6.909 1.00 0.00 C ATOM 915 OG SER A 52 -21.024 0.191 5.841 1.00 0.00 O ATOM 0 H SER A 52 -18.965 2.766 7.597 1.00 0.00 H new ATOM 0 HA SER A 52 -21.163 2.658 5.865 1.00 0.00 H new ATOM 0 HB2 SER A 52 -19.360 0.874 6.840 1.00 0.00 H new ATOM 0 HB3 SER A 52 -20.726 0.464 7.858 1.00 0.00 H new ATOM 0 HG SER A 52 -20.716 -0.739 5.876 1.00 0.00 H new ATOM 921 N GLY A 53 -21.920 2.932 9.020 1.00 0.00 N ATOM 922 CA GLY A 53 -23.026 3.127 9.939 1.00 0.00 C ATOM 923 C GLY A 53 -23.610 4.523 9.855 1.00 0.00 C ATOM 924 O GLY A 53 -24.634 4.699 9.161 1.00 0.00 O ATOM 925 OXT GLY A 53 -23.043 5.442 10.482 1.00 0.00 O ATOM 0 H GLY A 53 -20.997 3.106 9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.806 2.397 9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.686 2.940 10.957 1.00 0.00 H new TER 929 GLY A 53