USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 532 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 30 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0681 K(o=-0.068,f=-1.8) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.21) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -156:sc= 0.884 (180deg=0.422) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.978 -21.494 -2.756 1.00 0.00 N ATOM 2 CA ALA A 1 -7.435 -22.414 -1.683 1.00 0.00 C ATOM 3 C ALA A 1 -8.002 -21.657 -0.471 1.00 0.00 C ATOM 4 O ALA A 1 -9.127 -21.942 -0.054 1.00 0.00 O ATOM 5 CB ALA A 1 -6.339 -23.421 -1.287 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.604 -22.048 -3.552 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.779 -20.916 -3.082 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.231 -20.872 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.261 -22.995 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.713 -24.075 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.063 -24.019 -2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.463 -22.882 -0.925 1.00 0.00 H new ATOM 13 N GLY A 2 -7.257 -20.701 0.106 1.00 0.00 N ATOM 14 CA GLY A 2 -7.712 -19.827 1.202 1.00 0.00 C ATOM 15 C GLY A 2 -8.606 -18.667 0.725 1.00 0.00 C ATOM 16 O GLY A 2 -9.254 -18.751 -0.322 1.00 0.00 O ATOM 0 H GLY A 2 -6.298 -20.509 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.261 -20.424 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.842 -19.418 1.717 1.00 0.00 H new ATOM 20 N HIS A 3 -8.656 -17.582 1.509 1.00 0.00 N ATOM 21 CA HIS A 3 -9.387 -16.337 1.196 1.00 0.00 C ATOM 22 C HIS A 3 -8.450 -15.221 0.701 1.00 0.00 C ATOM 23 O HIS A 3 -7.256 -15.212 1.011 1.00 0.00 O ATOM 24 CB HIS A 3 -10.171 -15.882 2.443 1.00 0.00 C ATOM 25 CG HIS A 3 -11.446 -16.661 2.666 1.00 0.00 C ATOM 26 ND1 HIS A 3 -11.544 -17.999 3.003 1.00 0.00 N ATOM 27 CD2 HIS A 3 -12.712 -16.157 2.547 1.00 0.00 C ATOM 28 CE1 HIS A 3 -12.855 -18.307 3.079 1.00 0.00 C ATOM 29 NE2 HIS A 3 -13.584 -17.201 2.809 1.00 0.00 N ATOM 0 H HIS A 3 -8.175 -17.541 2.408 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.081 -16.544 0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.533 -15.984 3.321 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.413 -14.824 2.345 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.980 -15.141 2.297 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.258 -19.280 3.317 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -14.602 -17.145 2.800 1.00 0.00 H new ATOM 38 N MET A 4 -9.006 -14.257 -0.037 1.00 0.00 N ATOM 39 CA MET A 4 -8.314 -13.051 -0.519 1.00 0.00 C ATOM 40 C MET A 4 -8.503 -11.872 0.449 1.00 0.00 C ATOM 41 O MET A 4 -9.620 -11.578 0.885 1.00 0.00 O ATOM 42 CB MET A 4 -8.808 -12.693 -1.937 1.00 0.00 C ATOM 43 CG MET A 4 -7.904 -13.327 -3.005 1.00 0.00 C ATOM 44 SD MET A 4 -8.746 -14.130 -4.395 1.00 0.00 S ATOM 45 CE MET A 4 -7.325 -15.023 -5.088 1.00 0.00 C ATOM 0 H MET A 4 -9.983 -14.292 -0.327 1.00 0.00 H new ATOM 0 HA MET A 4 -7.245 -13.261 -0.564 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.833 -13.040 -2.069 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.820 -11.610 -2.060 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.249 -12.552 -3.403 1.00 0.00 H new ATOM 0 HG3 MET A 4 -7.266 -14.065 -2.519 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.642 -15.587 -5.965 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.552 -14.310 -5.375 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.926 -15.709 -4.340 1.00 0.00 H new ATOM 55 N LYS A 5 -7.394 -11.192 0.762 1.00 0.00 N ATOM 56 CA LYS A 5 -7.308 -9.974 1.584 1.00 0.00 C ATOM 57 C LYS A 5 -6.230 -9.033 1.033 1.00 0.00 C ATOM 58 O LYS A 5 -5.068 -9.080 1.441 1.00 0.00 O ATOM 59 CB LYS A 5 -7.073 -10.336 3.072 1.00 0.00 C ATOM 60 CG LYS A 5 -8.376 -10.362 3.898 1.00 0.00 C ATOM 61 CD LYS A 5 -8.154 -9.835 5.326 1.00 0.00 C ATOM 62 CE LYS A 5 -7.418 -10.843 6.219 1.00 0.00 C ATOM 63 NZ LYS A 5 -6.675 -10.165 7.316 1.00 0.00 N ATOM 0 H LYS A 5 -6.478 -11.493 0.430 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.257 -9.441 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.592 -11.312 3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.385 -9.614 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.134 -9.757 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.759 -11.382 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.582 -8.908 5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.118 -9.594 5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.136 -11.544 6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.723 -11.426 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.190 -10.877 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.973 -9.514 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.342 -9.629 7.908 1.00 0.00 H new ATOM 77 N GLU A 6 -6.610 -8.204 0.063 1.00 0.00 N ATOM 78 CA GLU A 6 -5.749 -7.159 -0.515 1.00 0.00 C ATOM 79 C GLU A 6 -5.947 -5.807 0.201 1.00 0.00 C ATOM 80 O GLU A 6 -6.885 -5.634 0.986 1.00 0.00 O ATOM 81 CB GLU A 6 -6.007 -7.012 -2.025 1.00 0.00 C ATOM 82 CG GLU A 6 -6.001 -8.355 -2.776 1.00 0.00 C ATOM 83 CD GLU A 6 -5.559 -8.206 -4.247 1.00 0.00 C ATOM 84 OE1 GLU A 6 -6.244 -7.502 -5.028 1.00 0.00 O ATOM 85 OE2 GLU A 6 -4.544 -8.833 -4.640 1.00 0.00 O ATOM 0 H GLU A 6 -7.540 -8.235 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.714 -7.467 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.969 -6.523 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.247 -6.360 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.332 -9.049 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.999 -8.791 -2.742 1.00 0.00 H new ATOM 92 N PHE A 7 -5.080 -4.829 -0.073 1.00 0.00 N ATOM 93 CA PHE A 7 -5.201 -3.472 0.471 1.00 0.00 C ATOM 94 C PHE A 7 -6.276 -2.640 -0.250 1.00 0.00 C ATOM 95 O PHE A 7 -6.225 -2.452 -1.469 1.00 0.00 O ATOM 96 CB PHE A 7 -3.831 -2.778 0.456 1.00 0.00 C ATOM 97 CG PHE A 7 -2.976 -3.143 1.658 1.00 0.00 C ATOM 98 CD1 PHE A 7 -3.458 -2.887 2.958 1.00 0.00 C ATOM 99 CD2 PHE A 7 -1.712 -3.739 1.490 1.00 0.00 C ATOM 100 CE1 PHE A 7 -2.695 -3.248 4.080 1.00 0.00 C ATOM 101 CE2 PHE A 7 -0.938 -4.065 2.621 1.00 0.00 C ATOM 102 CZ PHE A 7 -1.430 -3.823 3.910 1.00 0.00 C ATOM 0 H PHE A 7 -4.271 -4.956 -0.681 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.537 -3.554 1.505 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.301 -3.049 -0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.976 -1.698 0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.418 -2.411 3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.337 -3.945 0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.084 -3.082 5.074 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.040 -4.504 2.494 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.833 -4.080 4.773 1.00 0.00 H new ATOM 112 N ARG A 8 -7.260 -2.138 0.514 1.00 0.00 N ATOM 113 CA ARG A 8 -8.341 -1.251 0.043 1.00 0.00 C ATOM 114 C ARG A 8 -7.944 0.235 0.038 1.00 0.00 C ATOM 115 O ARG A 8 -7.055 0.626 0.795 1.00 0.00 O ATOM 116 CB ARG A 8 -9.593 -1.458 0.923 1.00 0.00 C ATOM 117 CG ARG A 8 -10.506 -2.526 0.308 1.00 0.00 C ATOM 118 CD ARG A 8 -11.862 -2.606 1.031 1.00 0.00 C ATOM 119 NE ARG A 8 -12.979 -2.151 0.174 1.00 0.00 N ATOM 120 CZ ARG A 8 -13.542 -2.805 -0.828 1.00 0.00 C ATOM 121 NH1 ARG A 8 -13.137 -3.989 -1.198 1.00 0.00 N ATOM 122 NH2 ARG A 8 -14.529 -2.277 -1.493 1.00 0.00 N ATOM 0 H ARG A 8 -7.329 -2.344 1.511 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.551 -1.521 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.294 -1.760 1.927 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.136 -0.518 1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.669 -2.301 -0.746 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.012 -3.497 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.044 -3.633 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.827 -1.996 1.934 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.358 -1.227 0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.363 -4.439 -0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.595 -4.465 -1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.875 -1.351 -1.243 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.956 -2.790 -2.264 1.00 0.00 H new ATOM 136 N PRO A 9 -8.630 1.085 -0.750 1.00 0.00 N ATOM 137 CA PRO A 9 -8.400 2.529 -0.756 1.00 0.00 C ATOM 138 C PRO A 9 -8.892 3.172 0.552 1.00 0.00 C ATOM 139 O PRO A 9 -9.979 2.855 1.041 1.00 0.00 O ATOM 140 CB PRO A 9 -9.160 3.048 -1.979 1.00 0.00 C ATOM 141 CG PRO A 9 -10.321 2.066 -2.120 1.00 0.00 C ATOM 142 CD PRO A 9 -9.711 0.740 -1.668 1.00 0.00 C ATOM 0 HA PRO A 9 -7.341 2.780 -0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.513 4.068 -1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.531 3.056 -2.869 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.169 2.352 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.682 2.014 -3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.456 0.116 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.334 0.174 -2.520 1.00 0.00 H new ATOM 150 N GLY A 10 -8.082 4.047 1.155 1.00 0.00 N ATOM 151 CA GLY A 10 -8.406 4.726 2.415 1.00 0.00 C ATOM 152 C GLY A 10 -8.062 3.913 3.671 1.00 0.00 C ATOM 153 O GLY A 10 -8.168 4.439 4.781 1.00 0.00 O ATOM 0 H GLY A 10 -7.171 4.308 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.871 5.675 2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.471 4.959 2.426 1.00 0.00 H new ATOM 157 N ASP A 11 -7.673 2.640 3.525 1.00 0.00 N ATOM 158 CA ASP A 11 -7.348 1.752 4.643 1.00 0.00 C ATOM 159 C ASP A 11 -6.144 2.291 5.435 1.00 0.00 C ATOM 160 O ASP A 11 -5.120 2.658 4.846 1.00 0.00 O ATOM 161 CB ASP A 11 -7.089 0.318 4.139 1.00 0.00 C ATOM 162 CG ASP A 11 -7.539 -0.744 5.156 1.00 0.00 C ATOM 163 OD1 ASP A 11 -7.413 -0.507 6.378 1.00 0.00 O ATOM 164 OD2 ASP A 11 -8.032 -1.818 4.733 1.00 0.00 O ATOM 0 H ASP A 11 -7.575 2.194 2.613 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.203 1.721 5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -7.617 0.164 3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.026 0.194 3.932 1.00 0.00 H new ATOM 169 N LYS A 12 -6.267 2.369 6.765 1.00 0.00 N ATOM 170 CA LYS A 12 -5.186 2.797 7.662 1.00 0.00 C ATOM 171 C LYS A 12 -4.046 1.775 7.658 1.00 0.00 C ATOM 172 O LYS A 12 -4.161 0.700 8.247 1.00 0.00 O ATOM 173 CB LYS A 12 -5.716 3.072 9.089 1.00 0.00 C ATOM 174 CG LYS A 12 -5.880 4.580 9.366 1.00 0.00 C ATOM 175 CD LYS A 12 -5.486 4.964 10.802 1.00 0.00 C ATOM 176 CE LYS A 12 -5.156 6.462 10.864 1.00 0.00 C ATOM 177 NZ LYS A 12 -4.697 6.872 12.217 1.00 0.00 N ATOM 0 H LYS A 12 -7.130 2.134 7.255 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.783 3.739 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.676 2.573 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.030 2.642 9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.268 5.144 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.916 4.868 9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.301 4.733 11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.624 4.378 11.122 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.382 6.694 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.038 7.040 10.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.484 7.890 12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.445 6.674 12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.840 6.339 12.469 1.00 0.00 H new ATOM 191 N VAL A 13 -2.933 2.114 7.010 1.00 0.00 N ATOM 192 CA VAL A 13 -1.718 1.285 6.932 1.00 0.00 C ATOM 193 C VAL A 13 -0.506 2.030 7.489 1.00 0.00 C ATOM 194 O VAL A 13 -0.476 3.259 7.501 1.00 0.00 O ATOM 195 CB VAL A 13 -1.470 0.782 5.494 1.00 0.00 C ATOM 196 CG1 VAL A 13 -2.638 -0.075 5.000 1.00 0.00 C ATOM 197 CG2 VAL A 13 -1.249 1.891 4.457 1.00 0.00 C ATOM 0 H VAL A 13 -2.843 2.997 6.508 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.875 0.405 7.556 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.549 0.205 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.436 -0.415 3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.758 -0.938 5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.553 0.517 5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.083 1.445 3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.128 2.534 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.378 2.484 4.738 1.00 0.00 H new ATOM 207 N VAL A 14 0.509 1.302 7.954 1.00 0.00 N ATOM 208 CA VAL A 14 1.790 1.861 8.426 1.00 0.00 C ATOM 209 C VAL A 14 2.846 1.731 7.329 1.00 0.00 C ATOM 210 O VAL A 14 3.012 0.664 6.735 1.00 0.00 O ATOM 211 CB VAL A 14 2.255 1.230 9.757 1.00 0.00 C ATOM 212 CG1 VAL A 14 2.113 -0.291 9.769 1.00 0.00 C ATOM 213 CG2 VAL A 14 3.709 1.572 10.118 1.00 0.00 C ATOM 0 H VAL A 14 0.470 0.285 8.017 1.00 0.00 H new ATOM 0 HA VAL A 14 1.640 2.919 8.640 1.00 0.00 H new ATOM 0 HB VAL A 14 1.591 1.669 10.502 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.454 -0.681 10.728 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.067 -0.560 9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.716 -0.719 8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.970 1.097 11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.374 1.209 9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.816 2.653 10.213 1.00 0.00 H new ATOM 223 N LEU A 15 3.561 2.826 7.062 1.00 0.00 N ATOM 224 CA LEU A 15 4.681 2.871 6.126 1.00 0.00 C ATOM 225 C LEU A 15 5.752 3.867 6.614 1.00 0.00 C ATOM 226 O LEU A 15 5.558 5.077 6.472 1.00 0.00 O ATOM 227 CB LEU A 15 4.139 3.218 4.731 1.00 0.00 C ATOM 228 CG LEU A 15 5.160 3.123 3.579 1.00 0.00 C ATOM 229 CD1 LEU A 15 6.087 1.907 3.654 1.00 0.00 C ATOM 230 CD2 LEU A 15 4.420 3.014 2.247 1.00 0.00 C ATOM 0 H LEU A 15 3.371 3.726 7.502 1.00 0.00 H new ATOM 0 HA LEU A 15 5.172 1.900 6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.304 2.553 4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.740 4.232 4.757 1.00 0.00 H new ATOM 0 HG LEU A 15 5.767 4.025 3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.772 1.919 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.658 1.941 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.492 0.994 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.143 2.947 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.794 2.122 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.795 3.895 2.105 1.00 0.00 H new ATOM 242 N PRO A 16 6.848 3.417 7.249 1.00 0.00 N ATOM 243 CA PRO A 16 7.924 4.309 7.684 1.00 0.00 C ATOM 244 C PRO A 16 8.713 4.908 6.492 1.00 0.00 C ATOM 245 O PRO A 16 8.678 4.349 5.390 1.00 0.00 O ATOM 246 CB PRO A 16 8.798 3.456 8.608 1.00 0.00 C ATOM 247 CG PRO A 16 8.578 2.029 8.111 1.00 0.00 C ATOM 248 CD PRO A 16 7.130 2.039 7.631 1.00 0.00 C ATOM 0 HA PRO A 16 7.537 5.185 8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.847 3.744 8.543 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.501 3.566 9.651 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.266 1.774 7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.733 1.299 8.905 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.993 1.363 6.787 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.455 1.706 8.419 1.00 0.00 H new ATOM 256 N PRO A 17 9.438 6.030 6.687 1.00 0.00 N ATOM 257 CA PRO A 17 9.580 6.783 7.942 1.00 0.00 C ATOM 258 C PRO A 17 8.352 7.642 8.313 1.00 0.00 C ATOM 259 O PRO A 17 8.278 8.147 9.434 1.00 0.00 O ATOM 260 CB PRO A 17 10.820 7.658 7.729 1.00 0.00 C ATOM 261 CG PRO A 17 10.781 7.956 6.232 1.00 0.00 C ATOM 262 CD PRO A 17 10.250 6.648 5.645 1.00 0.00 C ATOM 0 HA PRO A 17 9.673 6.095 8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.776 8.571 8.323 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.734 7.137 8.013 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.127 8.798 6.003 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.768 8.204 5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.657 6.836 4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.070 5.993 5.351 1.00 0.00 H new ATOM 270 N TYR A 18 7.368 7.777 7.414 1.00 0.00 N ATOM 271 CA TYR A 18 6.116 8.519 7.634 1.00 0.00 C ATOM 272 C TYR A 18 5.304 7.971 8.824 1.00 0.00 C ATOM 273 O TYR A 18 4.741 8.732 9.612 1.00 0.00 O ATOM 274 CB TYR A 18 5.262 8.482 6.352 1.00 0.00 C ATOM 275 CG TYR A 18 6.022 8.704 5.054 1.00 0.00 C ATOM 276 CD1 TYR A 18 6.488 9.991 4.724 1.00 0.00 C ATOM 277 CD2 TYR A 18 6.247 7.627 4.169 1.00 0.00 C ATOM 278 CE1 TYR A 18 7.151 10.207 3.501 1.00 0.00 C ATOM 279 CE2 TYR A 18 6.902 7.840 2.940 1.00 0.00 C ATOM 280 CZ TYR A 18 7.346 9.137 2.599 1.00 0.00 C ATOM 281 OH TYR A 18 7.954 9.368 1.404 1.00 0.00 O ATOM 0 H TYR A 18 7.421 7.361 6.484 1.00 0.00 H new ATOM 0 HA TYR A 18 6.384 9.547 7.878 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.760 7.516 6.298 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.484 9.242 6.432 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.337 10.812 5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.915 6.634 4.436 1.00 0.00 H new ATOM 0 HE1 TYR A 18 7.512 11.194 3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.064 7.015 2.262 1.00 0.00 H new ATOM 0 HH TYR A 18 8.013 8.530 0.900 1.00 0.00 H new ATOM 291 N GLY A 19 5.245 6.641 8.952 1.00 0.00 N ATOM 292 CA GLY A 19 4.614 5.893 10.048 1.00 0.00 C ATOM 293 C GLY A 19 3.130 5.577 9.826 1.00 0.00 C ATOM 294 O GLY A 19 2.613 4.627 10.409 1.00 0.00 O ATOM 0 H GLY A 19 5.659 6.022 8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.155 4.958 10.192 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.717 6.466 10.970 1.00 0.00 H new ATOM 298 N VAL A 20 2.442 6.335 8.968 1.00 0.00 N ATOM 299 CA VAL A 20 1.046 6.117 8.552 1.00 0.00 C ATOM 300 C VAL A 20 0.896 6.538 7.088 1.00 0.00 C ATOM 301 O VAL A 20 1.240 7.665 6.733 1.00 0.00 O ATOM 302 CB VAL A 20 0.032 6.898 9.422 1.00 0.00 C ATOM 303 CG1 VAL A 20 -1.409 6.571 8.991 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.166 6.595 10.920 1.00 0.00 C ATOM 0 H VAL A 20 2.857 7.154 8.523 1.00 0.00 H new ATOM 0 HA VAL A 20 0.824 5.058 8.680 1.00 0.00 H new ATOM 0 HB VAL A 20 0.255 7.954 9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.110 7.128 9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.549 6.850 7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.590 5.503 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.572 7.173 11.476 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.001 5.532 11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.167 6.864 11.258 1.00 0.00 H new ATOM 314 N GLY A 21 0.391 5.639 6.244 1.00 0.00 N ATOM 315 CA GLY A 21 0.072 5.869 4.835 1.00 0.00 C ATOM 316 C GLY A 21 -1.399 5.599 4.510 1.00 0.00 C ATOM 317 O GLY A 21 -2.118 4.966 5.287 1.00 0.00 O ATOM 0 H GLY A 21 0.183 4.685 6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.314 6.900 4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.700 5.229 4.215 1.00 0.00 H new ATOM 321 N VAL A 22 -1.840 6.067 3.341 1.00 0.00 N ATOM 322 CA VAL A 22 -3.204 5.896 2.816 1.00 0.00 C ATOM 323 C VAL A 22 -3.149 5.423 1.367 1.00 0.00 C ATOM 324 O VAL A 22 -2.687 6.137 0.478 1.00 0.00 O ATOM 325 CB VAL A 22 -4.025 7.196 2.934 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.372 7.078 2.213 1.00 0.00 C ATOM 327 CG2 VAL A 22 -4.327 7.537 4.398 1.00 0.00 C ATOM 0 H VAL A 22 -1.239 6.595 2.708 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.706 5.139 3.419 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.417 7.977 2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.924 8.012 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.202 6.873 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.950 6.265 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.907 8.459 4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.898 6.726 4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.391 7.669 4.941 1.00 0.00 H new ATOM 337 N VAL A 23 -3.616 4.199 1.130 1.00 0.00 N ATOM 338 CA VAL A 23 -3.739 3.620 -0.216 1.00 0.00 C ATOM 339 C VAL A 23 -4.775 4.410 -1.034 1.00 0.00 C ATOM 340 O VAL A 23 -5.881 4.655 -0.554 1.00 0.00 O ATOM 341 CB VAL A 23 -4.145 2.134 -0.134 1.00 0.00 C ATOM 342 CG1 VAL A 23 -4.134 1.499 -1.530 1.00 0.00 C ATOM 343 CG2 VAL A 23 -3.268 1.316 0.835 1.00 0.00 C ATOM 0 H VAL A 23 -3.924 3.570 1.872 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.770 3.684 -0.712 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.157 2.111 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.423 0.451 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.839 2.024 -2.174 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.132 1.570 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.606 0.280 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.229 1.355 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.347 1.734 1.839 1.00 0.00 H new ATOM 353 N ALA A 24 -4.441 4.796 -2.266 1.00 0.00 N ATOM 354 CA ALA A 24 -5.329 5.478 -3.215 1.00 0.00 C ATOM 355 C ALA A 24 -5.932 4.521 -4.263 1.00 0.00 C ATOM 356 O ALA A 24 -7.139 4.553 -4.508 1.00 0.00 O ATOM 357 CB ALA A 24 -4.545 6.615 -3.884 1.00 0.00 C ATOM 0 H ALA A 24 -3.508 4.637 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.179 5.882 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.190 7.133 -4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.203 7.317 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.684 6.203 -4.411 1.00 0.00 H new ATOM 363 N GLY A 25 -5.109 3.666 -4.880 1.00 0.00 N ATOM 364 CA GLY A 25 -5.537 2.700 -5.897 1.00 0.00 C ATOM 365 C GLY A 25 -4.385 1.895 -6.501 1.00 0.00 C ATOM 366 O GLY A 25 -3.214 2.121 -6.180 1.00 0.00 O ATOM 0 H GLY A 25 -4.109 3.626 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.256 2.012 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.056 3.231 -6.695 1.00 0.00 H new ATOM 370 N ILE A 26 -4.729 0.945 -7.372 1.00 0.00 N ATOM 371 CA ILE A 26 -3.790 0.082 -8.098 1.00 0.00 C ATOM 372 C ILE A 26 -3.327 0.780 -9.383 1.00 0.00 C ATOM 373 O ILE A 26 -4.145 1.200 -10.205 1.00 0.00 O ATOM 374 CB ILE A 26 -4.419 -1.296 -8.435 1.00 0.00 C ATOM 375 CG1 ILE A 26 -4.725 -2.163 -7.193 1.00 0.00 C ATOM 376 CG2 ILE A 26 -3.430 -2.107 -9.291 1.00 0.00 C ATOM 377 CD1 ILE A 26 -5.975 -1.756 -6.407 1.00 0.00 C ATOM 0 H ILE A 26 -5.703 0.747 -7.601 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.931 -0.097 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.356 -1.076 -8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.837 -3.199 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.866 -2.126 -6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.867 -3.077 -9.531 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.218 -1.566 -10.213 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.504 -2.254 -8.736 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.103 -2.424 -5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.863 -0.732 -6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.849 -1.822 -7.055 1.00 0.00 H new ATOM 389 N ALA A 27 -2.011 0.855 -9.571 1.00 0.00 N ATOM 390 CA ALA A 27 -1.358 1.380 -10.768 1.00 0.00 C ATOM 391 C ALA A 27 -0.476 0.293 -11.405 1.00 0.00 C ATOM 392 O ALA A 27 0.493 -0.160 -10.792 1.00 0.00 O ATOM 393 CB ALA A 27 -0.540 2.617 -10.368 1.00 0.00 C ATOM 0 H ALA A 27 -1.345 0.539 -8.866 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.097 1.672 -11.514 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.044 3.025 -11.248 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.204 3.370 -9.944 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.208 2.334 -9.628 1.00 0.00 H new ATOM 399 N GLN A 28 -0.802 -0.149 -12.625 1.00 0.00 N ATOM 400 CA GLN A 28 0.024 -1.102 -13.372 1.00 0.00 C ATOM 401 C GLN A 28 1.199 -0.389 -14.069 1.00 0.00 C ATOM 402 O GLN A 28 1.002 0.392 -15.005 1.00 0.00 O ATOM 403 CB GLN A 28 -0.822 -1.915 -14.366 1.00 0.00 C ATOM 404 CG GLN A 28 -1.972 -2.678 -13.687 1.00 0.00 C ATOM 405 CD GLN A 28 -2.294 -3.983 -14.412 1.00 0.00 C ATOM 406 OE1 GLN A 28 -3.052 -4.032 -15.372 1.00 0.00 O ATOM 407 NE2 GLN A 28 -1.723 -5.094 -13.988 1.00 0.00 N ATOM 0 H GLN A 28 -1.644 0.144 -13.121 1.00 0.00 H new ATOM 0 HA GLN A 28 0.449 -1.809 -12.659 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.233 -1.244 -15.120 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.179 -2.625 -14.887 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -1.704 -2.894 -12.653 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -2.861 -2.048 -13.661 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.089 -5.069 -13.189 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.915 -5.978 -14.459 1.00 0.00 H new ATOM 416 N ARG A 29 2.428 -0.670 -13.624 1.00 0.00 N ATOM 417 CA ARG A 29 3.695 -0.165 -14.182 1.00 0.00 C ATOM 418 C ARG A 29 4.277 -1.162 -15.184 1.00 0.00 C ATOM 419 O ARG A 29 4.658 -2.268 -14.804 1.00 0.00 O ATOM 420 CB ARG A 29 4.690 0.116 -13.036 1.00 0.00 C ATOM 421 CG ARG A 29 4.350 1.405 -12.258 1.00 0.00 C ATOM 422 CD ARG A 29 5.349 2.549 -12.500 1.00 0.00 C ATOM 423 NE ARG A 29 5.526 2.872 -13.933 1.00 0.00 N ATOM 424 CZ ARG A 29 6.441 3.665 -14.463 1.00 0.00 C ATOM 425 NH1 ARG A 29 7.258 4.366 -13.729 1.00 0.00 N ATOM 426 NH2 ARG A 29 6.561 3.770 -15.756 1.00 0.00 N ATOM 0 H ARG A 29 2.578 -1.286 -12.825 1.00 0.00 H new ATOM 0 HA ARG A 29 3.505 0.766 -14.716 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.694 -0.729 -12.348 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.697 0.198 -13.446 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.352 1.739 -12.542 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.319 1.179 -11.192 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.007 3.440 -11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.314 2.277 -12.073 1.00 0.00 H new ATOM 0 HE ARG A 29 4.871 2.436 -14.582 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.203 4.313 -12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.952 4.968 -14.172 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.945 3.237 -16.370 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.271 4.385 -16.154 1.00 0.00 H new ATOM 440 N SER A 30 4.317 -0.779 -16.460 1.00 0.00 N ATOM 441 CA SER A 30 4.927 -1.538 -17.566 1.00 0.00 C ATOM 442 C SER A 30 6.459 -1.576 -17.433 1.00 0.00 C ATOM 443 O SER A 30 7.140 -0.628 -17.831 1.00 0.00 O ATOM 444 CB SER A 30 4.534 -0.927 -18.922 1.00 0.00 C ATOM 445 OG SER A 30 3.128 -0.954 -19.123 1.00 0.00 O ATOM 0 H SER A 30 3.910 0.104 -16.770 1.00 0.00 H new ATOM 0 HA SER A 30 4.551 -2.560 -17.515 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.889 0.102 -18.974 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.027 -1.475 -19.725 1.00 0.00 H new ATOM 0 HG SER A 30 2.914 -0.557 -19.993 1.00 0.00 H new ATOM 451 N VAL A 31 7.012 -2.653 -16.864 1.00 0.00 N ATOM 452 CA VAL A 31 8.458 -2.829 -16.610 1.00 0.00 C ATOM 453 C VAL A 31 8.975 -4.089 -17.306 1.00 0.00 C ATOM 454 O VAL A 31 8.497 -5.192 -17.046 1.00 0.00 O ATOM 455 CB VAL A 31 8.767 -2.869 -15.096 1.00 0.00 C ATOM 456 CG1 VAL A 31 10.283 -2.931 -14.852 1.00 0.00 C ATOM 457 CG2 VAL A 31 8.243 -1.623 -14.368 1.00 0.00 C ATOM 0 H VAL A 31 6.456 -3.451 -16.557 1.00 0.00 H new ATOM 0 HA VAL A 31 8.978 -1.966 -17.026 1.00 0.00 H new ATOM 0 HB VAL A 31 8.270 -3.759 -14.709 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.478 -2.958 -13.780 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.690 -3.828 -15.318 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.757 -2.050 -15.285 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.482 -1.694 -13.307 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.712 -0.733 -14.787 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.162 -1.557 -14.492 1.00 0.00 H new ATOM 467 N SER A 32 9.958 -3.943 -18.202 1.00 0.00 N ATOM 468 CA SER A 32 10.575 -5.049 -18.965 1.00 0.00 C ATOM 469 C SER A 32 9.567 -5.843 -19.828 1.00 0.00 C ATOM 470 O SER A 32 9.694 -7.052 -20.031 1.00 0.00 O ATOM 471 CB SER A 32 11.386 -5.938 -18.004 1.00 0.00 C ATOM 472 OG SER A 32 12.481 -6.547 -18.672 1.00 0.00 O ATOM 0 H SER A 32 10.360 -3.033 -18.426 1.00 0.00 H new ATOM 0 HA SER A 32 11.258 -4.618 -19.697 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.752 -5.338 -17.171 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.739 -6.708 -17.583 1.00 0.00 H new ATOM 0 HG SER A 32 12.981 -7.105 -18.040 1.00 0.00 H new ATOM 478 N GLY A 33 8.520 -5.163 -20.316 1.00 0.00 N ATOM 479 CA GLY A 33 7.401 -5.759 -21.061 1.00 0.00 C ATOM 480 C GLY A 33 6.338 -6.443 -20.187 1.00 0.00 C ATOM 481 O GLY A 33 5.438 -7.096 -20.719 1.00 0.00 O ATOM 0 H GLY A 33 8.425 -4.154 -20.200 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.919 -4.979 -21.651 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.799 -6.491 -21.764 1.00 0.00 H new ATOM 485 N VAL A 34 6.424 -6.301 -18.859 1.00 0.00 N ATOM 486 CA VAL A 34 5.542 -6.924 -17.858 1.00 0.00 C ATOM 487 C VAL A 34 4.894 -5.840 -16.996 1.00 0.00 C ATOM 488 O VAL A 34 5.561 -5.193 -16.187 1.00 0.00 O ATOM 489 CB VAL A 34 6.308 -7.942 -16.987 1.00 0.00 C ATOM 490 CG1 VAL A 34 5.345 -8.713 -16.075 1.00 0.00 C ATOM 491 CG2 VAL A 34 7.082 -8.956 -17.841 1.00 0.00 C ATOM 0 H VAL A 34 7.145 -5.721 -18.430 1.00 0.00 H new ATOM 0 HA VAL A 34 4.760 -7.474 -18.380 1.00 0.00 H new ATOM 0 HB VAL A 34 7.014 -7.368 -16.387 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.907 -9.425 -15.471 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.824 -8.013 -15.421 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.618 -9.250 -16.684 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.607 -9.654 -17.190 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.385 -9.505 -18.475 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.804 -8.430 -18.466 1.00 0.00 H new ATOM 501 N SER A 35 3.592 -5.609 -17.175 1.00 0.00 N ATOM 502 CA SER A 35 2.843 -4.670 -16.331 1.00 0.00 C ATOM 503 C SER A 35 2.618 -5.279 -14.944 1.00 0.00 C ATOM 504 O SER A 35 1.965 -6.321 -14.832 1.00 0.00 O ATOM 505 CB SER A 35 1.495 -4.295 -16.961 1.00 0.00 C ATOM 506 OG SER A 35 1.637 -3.886 -18.312 1.00 0.00 O ATOM 0 H SER A 35 3.031 -6.060 -17.898 1.00 0.00 H new ATOM 0 HA SER A 35 3.435 -3.759 -16.239 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.820 -5.149 -16.910 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.036 -3.491 -16.385 1.00 0.00 H new ATOM 0 HG SER A 35 0.757 -3.657 -18.679 1.00 0.00 H new ATOM 512 N ARG A 36 3.117 -4.634 -13.882 1.00 0.00 N ATOM 513 CA ARG A 36 2.915 -5.076 -12.487 1.00 0.00 C ATOM 514 C ARG A 36 2.101 -4.050 -11.725 1.00 0.00 C ATOM 515 O ARG A 36 2.371 -2.856 -11.815 1.00 0.00 O ATOM 516 CB ARG A 36 4.249 -5.330 -11.766 1.00 0.00 C ATOM 517 CG ARG A 36 5.180 -6.225 -12.584 1.00 0.00 C ATOM 518 CD ARG A 36 6.294 -6.869 -11.746 1.00 0.00 C ATOM 519 NE ARG A 36 7.537 -6.073 -11.738 1.00 0.00 N ATOM 520 CZ ARG A 36 8.482 -6.082 -12.663 1.00 0.00 C ATOM 521 NH1 ARG A 36 8.336 -6.712 -13.795 1.00 0.00 N ATOM 522 NH2 ARG A 36 9.606 -5.459 -12.466 1.00 0.00 N ATOM 0 H ARG A 36 3.676 -3.785 -13.962 1.00 0.00 H new ATOM 0 HA ARG A 36 2.371 -6.020 -12.519 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.742 -4.378 -11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.056 -5.795 -10.799 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.592 -7.010 -13.060 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.630 -5.636 -13.383 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.944 -6.998 -10.722 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.508 -7.864 -12.137 1.00 0.00 H new ATOM 0 HE ARG A 36 7.681 -5.455 -10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.472 -7.219 -13.989 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.086 -6.698 -14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.765 -4.958 -11.592 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.329 -5.472 -13.185 1.00 0.00 H new ATOM 536 N ALA A 37 1.106 -4.515 -10.981 1.00 0.00 N ATOM 537 CA ALA A 37 0.281 -3.669 -10.135 1.00 0.00 C ATOM 538 C ALA A 37 1.056 -3.196 -8.891 1.00 0.00 C ATOM 539 O ALA A 37 1.805 -3.957 -8.271 1.00 0.00 O ATOM 540 CB ALA A 37 -0.985 -4.455 -9.790 1.00 0.00 C ATOM 0 H ALA A 37 0.848 -5.501 -10.949 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.001 -2.755 -10.658 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.629 -3.847 -9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.517 -4.709 -10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.713 -5.370 -9.263 1.00 0.00 H new ATOM 546 N TYR A 38 0.825 -1.939 -8.516 1.00 0.00 N ATOM 547 CA TYR A 38 1.417 -1.277 -7.360 1.00 0.00 C ATOM 548 C TYR A 38 0.396 -0.373 -6.653 1.00 0.00 C ATOM 549 O TYR A 38 -0.226 0.476 -7.295 1.00 0.00 O ATOM 550 CB TYR A 38 2.631 -0.459 -7.823 1.00 0.00 C ATOM 551 CG TYR A 38 3.856 -1.286 -8.180 1.00 0.00 C ATOM 552 CD1 TYR A 38 4.664 -1.793 -7.148 1.00 0.00 C ATOM 553 CD2 TYR A 38 4.196 -1.560 -9.520 1.00 0.00 C ATOM 554 CE1 TYR A 38 5.783 -2.596 -7.437 1.00 0.00 C ATOM 555 CE2 TYR A 38 5.336 -2.330 -9.817 1.00 0.00 C ATOM 556 CZ TYR A 38 6.115 -2.880 -8.780 1.00 0.00 C ATOM 557 OH TYR A 38 7.170 -3.690 -9.079 1.00 0.00 O ATOM 0 H TYR A 38 0.192 -1.329 -9.034 1.00 0.00 H new ATOM 0 HA TYR A 38 1.734 -2.033 -6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.343 0.133 -8.692 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.901 0.243 -7.034 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.423 -1.564 -6.120 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.580 -1.178 -10.321 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.386 -2.994 -6.634 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.615 -2.500 -10.846 1.00 0.00 H new ATOM 0 HH TYR A 38 7.293 -4.346 -8.361 1.00 0.00 H new ATOM 567 N TYR A 39 0.205 -0.549 -5.343 1.00 0.00 N ATOM 568 CA TYR A 39 -0.660 0.313 -4.529 1.00 0.00 C ATOM 569 C TYR A 39 -0.005 1.686 -4.333 1.00 0.00 C ATOM 570 O TYR A 39 1.085 1.768 -3.765 1.00 0.00 O ATOM 571 CB TYR A 39 -0.931 -0.320 -3.156 1.00 0.00 C ATOM 572 CG TYR A 39 -1.485 -1.728 -3.176 1.00 0.00 C ATOM 573 CD1 TYR A 39 -2.596 -2.044 -3.981 1.00 0.00 C ATOM 574 CD2 TYR A 39 -0.879 -2.724 -2.390 1.00 0.00 C ATOM 575 CE1 TYR A 39 -3.072 -3.368 -4.034 1.00 0.00 C ATOM 576 CE2 TYR A 39 -1.366 -4.041 -2.424 1.00 0.00 C ATOM 577 CZ TYR A 39 -2.462 -4.370 -3.250 1.00 0.00 C ATOM 578 OH TYR A 39 -2.889 -5.657 -3.342 1.00 0.00 O ATOM 0 H TYR A 39 0.649 -1.299 -4.812 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.607 0.431 -5.056 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.000 -0.324 -2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.630 0.317 -2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.083 -1.271 -4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.038 -2.476 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.905 -3.617 -4.675 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.901 -4.803 -1.817 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.363 -6.220 -2.737 1.00 0.00 H new ATOM 588 N GLN A 40 -0.647 2.755 -4.805 1.00 0.00 N ATOM 589 CA GLN A 40 -0.213 4.142 -4.611 1.00 0.00 C ATOM 590 C GLN A 40 -0.533 4.605 -3.176 1.00 0.00 C ATOM 591 O GLN A 40 -1.696 4.856 -2.862 1.00 0.00 O ATOM 592 CB GLN A 40 -0.896 5.004 -5.696 1.00 0.00 C ATOM 593 CG GLN A 40 -0.260 6.383 -5.926 1.00 0.00 C ATOM 594 CD GLN A 40 -0.670 7.448 -4.913 1.00 0.00 C ATOM 595 OE1 GLN A 40 -0.110 7.560 -3.836 1.00 0.00 O ATOM 596 NE2 GLN A 40 -1.607 8.314 -5.238 1.00 0.00 N ATOM 0 H GLN A 40 -1.507 2.680 -5.348 1.00 0.00 H new ATOM 0 HA GLN A 40 0.867 4.242 -4.721 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.884 4.454 -6.637 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.942 5.144 -5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.825 6.277 -5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.525 6.729 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.086 8.235 -6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.854 9.064 -4.593 1.00 0.00 H new ATOM 605 N VAL A 41 0.461 4.670 -2.286 1.00 0.00 N ATOM 606 CA VAL A 41 0.308 5.151 -0.897 1.00 0.00 C ATOM 607 C VAL A 41 0.629 6.644 -0.805 1.00 0.00 C ATOM 608 O VAL A 41 1.796 7.023 -0.877 1.00 0.00 O ATOM 609 CB VAL A 41 1.191 4.378 0.097 1.00 0.00 C ATOM 610 CG1 VAL A 41 0.762 4.686 1.537 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.102 2.864 -0.082 1.00 0.00 C ATOM 0 H VAL A 41 1.415 4.386 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.733 4.978 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 41 2.213 4.701 -0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.395 4.133 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.864 5.755 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.277 4.390 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.746 2.373 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.072 2.540 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.424 2.597 -1.089 1.00 0.00 H new ATOM 621 N ASP A 42 -0.387 7.489 -0.647 1.00 0.00 N ATOM 622 CA ASP A 42 -0.260 8.940 -0.461 1.00 0.00 C ATOM 623 C ASP A 42 -0.226 9.299 1.036 1.00 0.00 C ATOM 624 O ASP A 42 -1.028 8.792 1.827 1.00 0.00 O ATOM 625 CB ASP A 42 -1.441 9.624 -1.171 1.00 0.00 C ATOM 626 CG ASP A 42 -1.332 11.158 -1.158 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.657 11.722 -2.052 1.00 0.00 O ATOM 628 OD2 ASP A 42 -1.957 11.800 -0.282 1.00 0.00 O ATOM 0 H ASP A 42 -1.358 7.175 -0.644 1.00 0.00 H new ATOM 0 HA ASP A 42 0.677 9.290 -0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.491 9.276 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.372 9.326 -0.689 1.00 0.00 H new ATOM 633 N PHE A 43 0.704 10.169 1.436 1.00 0.00 N ATOM 634 CA PHE A 43 0.882 10.615 2.826 1.00 0.00 C ATOM 635 C PHE A 43 0.458 12.087 2.993 1.00 0.00 C ATOM 636 O PHE A 43 0.687 12.886 2.078 1.00 0.00 O ATOM 637 CB PHE A 43 2.348 10.433 3.251 1.00 0.00 C ATOM 638 CG PHE A 43 2.959 9.124 2.796 1.00 0.00 C ATOM 639 CD1 PHE A 43 2.744 7.946 3.527 1.00 0.00 C ATOM 640 CD2 PHE A 43 3.671 9.071 1.586 1.00 0.00 C ATOM 641 CE1 PHE A 43 3.237 6.723 3.052 1.00 0.00 C ATOM 642 CE2 PHE A 43 4.177 7.853 1.110 1.00 0.00 C ATOM 643 CZ PHE A 43 3.957 6.679 1.847 1.00 0.00 C ATOM 0 H PHE A 43 1.370 10.594 0.791 1.00 0.00 H new ATOM 0 HA PHE A 43 0.245 10.005 3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.938 11.257 2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.412 10.495 4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.197 7.982 4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.830 9.976 1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.063 5.816 3.612 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.731 7.819 0.184 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.343 5.737 1.486 1.00 0.00 H new ATOM 653 N PRO A 44 -0.109 12.493 4.147 1.00 0.00 N ATOM 654 CA PRO A 44 -0.466 13.891 4.394 1.00 0.00 C ATOM 655 C PRO A 44 0.775 14.798 4.525 1.00 0.00 C ATOM 656 O PRO A 44 1.891 14.338 4.786 1.00 0.00 O ATOM 657 CB PRO A 44 -1.316 13.865 5.669 1.00 0.00 C ATOM 658 CG PRO A 44 -0.802 12.636 6.418 1.00 0.00 C ATOM 659 CD PRO A 44 -0.458 11.662 5.291 1.00 0.00 C ATOM 0 HA PRO A 44 -1.018 14.320 3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.187 14.775 6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.379 13.780 5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.070 12.871 7.028 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.558 12.227 7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.372 11.014 5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.304 11.014 5.061 1.00 0.00 H new ATOM 667 N GLY A 45 0.577 16.108 4.349 1.00 0.00 N ATOM 668 CA GLY A 45 1.614 17.150 4.445 1.00 0.00 C ATOM 669 C GLY A 45 2.473 17.358 3.184 1.00 0.00 C ATOM 670 O GLY A 45 3.167 18.372 3.080 1.00 0.00 O ATOM 0 H GLY A 45 -0.342 16.490 4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.131 18.095 4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.275 16.903 5.276 1.00 0.00 H new ATOM 674 N SER A 46 2.428 16.434 2.221 1.00 0.00 N ATOM 675 CA SER A 46 3.116 16.498 0.917 1.00 0.00 C ATOM 676 C SER A 46 2.363 15.693 -0.159 1.00 0.00 C ATOM 677 O SER A 46 1.258 15.200 0.084 1.00 0.00 O ATOM 678 CB SER A 46 4.567 16.003 1.060 1.00 0.00 C ATOM 679 OG SER A 46 4.618 14.660 1.511 1.00 0.00 O ATOM 0 H SER A 46 1.886 15.577 2.329 1.00 0.00 H new ATOM 0 HA SER A 46 3.131 17.538 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.076 16.085 0.100 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.103 16.643 1.760 1.00 0.00 H new ATOM 0 HG SER A 46 5.553 14.377 1.589 1.00 0.00 H new ATOM 685 N ARG A 47 2.938 15.578 -1.367 1.00 0.00 N ATOM 686 CA ARG A 47 2.415 14.759 -2.482 1.00 0.00 C ATOM 687 C ARG A 47 3.226 13.476 -2.705 1.00 0.00 C ATOM 688 O ARG A 47 3.045 12.801 -3.722 1.00 0.00 O ATOM 689 CB ARG A 47 2.283 15.585 -3.775 1.00 0.00 C ATOM 690 CG ARG A 47 1.549 16.919 -3.558 1.00 0.00 C ATOM 691 CD ARG A 47 0.702 17.334 -4.766 1.00 0.00 C ATOM 692 NE ARG A 47 1.499 17.514 -5.998 1.00 0.00 N ATOM 693 CZ ARG A 47 1.036 17.527 -7.237 1.00 0.00 C ATOM 694 NH1 ARG A 47 -0.226 17.333 -7.504 1.00 0.00 N ATOM 695 NH2 ARG A 47 1.835 17.739 -8.242 1.00 0.00 N ATOM 0 H ARG A 47 3.803 16.064 -1.605 1.00 0.00 H new ATOM 0 HA ARG A 47 1.414 14.440 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.277 15.783 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.748 14.999 -4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.907 16.837 -2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.279 17.700 -3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.063 16.578 -4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.184 18.265 -4.536 1.00 0.00 H new ATOM 0 HE ARG A 47 2.504 17.641 -5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.888 17.165 -6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.551 17.349 -8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.829 17.897 -8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.467 17.747 -9.193 1.00 0.00 H new ATOM 709 N SER A 48 4.130 13.144 -1.775 1.00 0.00 N ATOM 710 CA SER A 48 4.903 11.899 -1.793 1.00 0.00 C ATOM 711 C SER A 48 3.974 10.693 -1.935 1.00 0.00 C ATOM 712 O SER A 48 2.970 10.574 -1.227 1.00 0.00 O ATOM 713 CB SER A 48 5.760 11.750 -0.529 1.00 0.00 C ATOM 714 OG SER A 48 6.978 12.459 -0.694 1.00 0.00 O ATOM 0 H SER A 48 4.347 13.742 -0.978 1.00 0.00 H new ATOM 0 HA SER A 48 5.571 11.941 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.219 12.133 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.964 10.696 -0.338 1.00 0.00 H new ATOM 0 HG SER A 48 7.524 12.364 0.115 1.00 0.00 H new ATOM 720 N LYS A 49 4.334 9.804 -2.861 1.00 0.00 N ATOM 721 CA LYS A 49 3.674 8.525 -3.118 1.00 0.00 C ATOM 722 C LYS A 49 4.681 7.383 -2.992 1.00 0.00 C ATOM 723 O LYS A 49 5.834 7.523 -3.403 1.00 0.00 O ATOM 724 CB LYS A 49 2.952 8.548 -4.483 1.00 0.00 C ATOM 725 CG LYS A 49 3.892 8.716 -5.690 1.00 0.00 C ATOM 726 CD LYS A 49 3.184 8.676 -7.052 1.00 0.00 C ATOM 727 CE LYS A 49 2.482 9.985 -7.449 1.00 0.00 C ATOM 728 NZ LYS A 49 1.000 9.916 -7.343 1.00 0.00 N ATOM 0 H LYS A 49 5.129 9.963 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 49 2.902 8.354 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.390 7.621 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.227 9.362 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.420 9.665 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.645 7.928 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.916 8.425 -7.820 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.447 7.873 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.847 10.792 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.754 10.238 -8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.589 10.829 -7.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.642 9.167 -7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.732 9.703 -6.361 1.00 0.00 H new ATOM 742 N ALA A 50 4.250 6.256 -2.435 1.00 0.00 N ATOM 743 CA ALA A 50 5.047 5.035 -2.332 1.00 0.00 C ATOM 744 C ALA A 50 4.302 3.893 -3.032 1.00 0.00 C ATOM 745 O ALA A 50 3.148 3.621 -2.708 1.00 0.00 O ATOM 746 CB ALA A 50 5.345 4.717 -0.868 1.00 0.00 C ATOM 0 H ALA A 50 3.317 6.162 -2.033 1.00 0.00 H new ATOM 0 HA ALA A 50 6.008 5.171 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.939 3.805 -0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.900 5.542 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.408 4.576 -0.328 1.00 0.00 H new ATOM 752 N TYR A 51 4.935 3.262 -4.018 1.00 0.00 N ATOM 753 CA TYR A 51 4.364 2.168 -4.805 1.00 0.00 C ATOM 754 C TYR A 51 4.661 0.802 -4.163 1.00 0.00 C ATOM 755 O TYR A 51 5.791 0.312 -4.227 1.00 0.00 O ATOM 756 CB TYR A 51 4.939 2.245 -6.228 1.00 0.00 C ATOM 757 CG TYR A 51 4.437 3.410 -7.062 1.00 0.00 C ATOM 758 CD1 TYR A 51 3.145 3.376 -7.625 1.00 0.00 C ATOM 759 CD2 TYR A 51 5.281 4.509 -7.311 1.00 0.00 C ATOM 760 CE1 TYR A 51 2.716 4.414 -8.476 1.00 0.00 C ATOM 761 CE2 TYR A 51 4.852 5.555 -8.149 1.00 0.00 C ATOM 762 CZ TYR A 51 3.579 5.496 -8.758 1.00 0.00 C ATOM 763 OH TYR A 51 3.201 6.474 -9.625 1.00 0.00 O ATOM 0 H TYR A 51 5.885 3.503 -4.301 1.00 0.00 H new ATOM 0 HA TYR A 51 3.279 2.270 -4.838 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.025 2.307 -6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.704 1.317 -6.749 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.482 2.552 -7.404 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.260 4.549 -6.858 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.728 4.382 -8.912 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.496 6.403 -8.327 1.00 0.00 H new ATOM 0 HH TYR A 51 3.916 7.140 -9.699 1.00 0.00 H new ATOM 773 N VAL A 52 3.660 0.183 -3.529 1.00 0.00 N ATOM 774 CA VAL A 52 3.804 -1.121 -2.841 1.00 0.00 C ATOM 775 C VAL A 52 3.457 -2.287 -3.779 1.00 0.00 C ATOM 776 O VAL A 52 2.374 -2.264 -4.369 1.00 0.00 O ATOM 777 CB VAL A 52 2.914 -1.183 -1.589 1.00 0.00 C ATOM 778 CG1 VAL A 52 2.961 -2.556 -0.906 1.00 0.00 C ATOM 779 CG2 VAL A 52 3.316 -0.094 -0.580 1.00 0.00 C ATOM 0 H VAL A 52 2.717 0.569 -3.474 1.00 0.00 H new ATOM 0 HA VAL A 52 4.847 -1.215 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 52 1.892 -1.011 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.316 -2.548 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.616 -3.321 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.984 -2.777 -0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.673 -0.156 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.354 -0.240 -0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.206 0.888 -1.041 1.00 0.00 H new ATOM 789 N PRO A 53 4.319 -3.315 -3.919 1.00 0.00 N ATOM 790 CA PRO A 53 4.054 -4.477 -4.772 1.00 0.00 C ATOM 791 C PRO A 53 2.866 -5.300 -4.263 1.00 0.00 C ATOM 792 O PRO A 53 2.851 -5.729 -3.109 1.00 0.00 O ATOM 793 CB PRO A 53 5.344 -5.307 -4.758 1.00 0.00 C ATOM 794 CG PRO A 53 6.009 -4.924 -3.436 1.00 0.00 C ATOM 795 CD PRO A 53 5.612 -3.462 -3.261 1.00 0.00 C ATOM 0 HA PRO A 53 3.785 -4.165 -5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.133 -6.375 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.981 -5.070 -5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.651 -5.540 -2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.091 -5.046 -3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.545 -3.200 -2.205 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.354 -2.800 -3.707 1.00 0.00 H new ATOM 803 N VAL A 54 1.893 -5.579 -5.135 1.00 0.00 N ATOM 804 CA VAL A 54 0.738 -6.437 -4.797 1.00 0.00 C ATOM 805 C VAL A 54 1.116 -7.893 -4.484 1.00 0.00 C ATOM 806 O VAL A 54 0.373 -8.589 -3.793 1.00 0.00 O ATOM 807 CB VAL A 54 -0.334 -6.423 -5.904 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.834 -5.002 -6.184 1.00 0.00 C ATOM 809 CG2 VAL A 54 0.154 -7.030 -7.224 1.00 0.00 C ATOM 0 H VAL A 54 1.877 -5.223 -6.091 1.00 0.00 H new ATOM 0 HA VAL A 54 0.331 -5.998 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.146 -7.040 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.589 -5.030 -6.970 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.270 -4.584 -5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.001 -4.379 -6.505 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.648 -6.990 -7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.012 -6.465 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.446 -8.068 -7.061 1.00 0.00 H new ATOM 819 N GLU A 55 2.265 -8.364 -4.983 1.00 0.00 N ATOM 820 CA GLU A 55 2.733 -9.749 -4.814 1.00 0.00 C ATOM 821 C GLU A 55 3.258 -10.025 -3.399 1.00 0.00 C ATOM 822 O GLU A 55 2.942 -11.058 -2.805 1.00 0.00 O ATOM 823 CB GLU A 55 3.842 -10.077 -5.827 1.00 0.00 C ATOM 824 CG GLU A 55 3.417 -9.806 -7.276 1.00 0.00 C ATOM 825 CD GLU A 55 4.241 -10.652 -8.265 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.912 -11.848 -8.462 1.00 0.00 O ATOM 827 OE2 GLU A 55 5.218 -10.132 -8.855 1.00 0.00 O ATOM 0 H GLU A 55 2.908 -7.786 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 55 1.866 -10.386 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.727 -9.485 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.124 -11.125 -5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.357 -10.032 -7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.545 -8.748 -7.504 1.00 0.00 H new ATOM 834 N ALA A 56 4.051 -9.094 -2.859 1.00 0.00 N ATOM 835 CA ALA A 56 4.606 -9.166 -1.511 1.00 0.00 C ATOM 836 C ALA A 56 4.490 -7.802 -0.795 1.00 0.00 C ATOM 837 O ALA A 56 5.504 -7.154 -0.514 1.00 0.00 O ATOM 838 CB ALA A 56 6.052 -9.676 -1.636 1.00 0.00 C ATOM 0 H ALA A 56 4.329 -8.251 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 56 4.046 -9.861 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.501 -9.743 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.051 -10.662 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.630 -8.985 -2.250 1.00 0.00 H new ATOM 844 N PRO A 57 3.268 -7.377 -0.418 1.00 0.00 N ATOM 845 CA PRO A 57 3.049 -6.057 0.168 1.00 0.00 C ATOM 846 C PRO A 57 3.616 -5.978 1.591 1.00 0.00 C ATOM 847 O PRO A 57 4.176 -4.958 1.979 1.00 0.00 O ATOM 848 CB PRO A 57 1.538 -5.832 0.092 1.00 0.00 C ATOM 849 CG PRO A 57 0.953 -7.244 0.135 1.00 0.00 C ATOM 850 CD PRO A 57 1.996 -8.057 -0.629 1.00 0.00 C ATOM 0 HA PRO A 57 3.574 -5.266 -0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.182 -5.227 0.925 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.257 -5.311 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.829 -7.601 1.157 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.027 -7.292 -0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.036 -9.083 -0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.751 -8.107 -1.690 1.00 0.00 H new ATOM 858 N HIS A 58 3.558 -7.076 2.354 1.00 0.00 N ATOM 859 CA HIS A 58 4.153 -7.180 3.694 1.00 0.00 C ATOM 860 C HIS A 58 5.692 -7.212 3.682 1.00 0.00 C ATOM 861 O HIS A 58 6.311 -6.834 4.673 1.00 0.00 O ATOM 862 CB HIS A 58 3.564 -8.403 4.419 1.00 0.00 C ATOM 863 CG HIS A 58 3.763 -9.712 3.688 1.00 0.00 C ATOM 864 ND1 HIS A 58 4.938 -10.442 3.624 1.00 0.00 N ATOM 865 CD2 HIS A 58 2.808 -10.375 2.966 1.00 0.00 C ATOM 866 CE1 HIS A 58 4.704 -11.523 2.853 1.00 0.00 C ATOM 867 NE2 HIS A 58 3.416 -11.505 2.446 1.00 0.00 N ATOM 0 H HIS A 58 3.089 -7.931 2.054 1.00 0.00 H new ATOM 0 HA HIS A 58 3.894 -6.273 4.240 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.018 -8.479 5.407 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.496 -8.243 4.570 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.780 -10.075 2.829 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.430 -12.282 2.601 1.00 0.00 H new ATOM 0 HE2 HIS A 58 2.967 -12.205 1.856 1.00 0.00 H new ATOM 876 N SER A 59 6.323 -7.633 2.576 1.00 0.00 N ATOM 877 CA SER A 59 7.790 -7.788 2.463 1.00 0.00 C ATOM 878 C SER A 59 8.540 -6.453 2.597 1.00 0.00 C ATOM 879 O SER A 59 9.579 -6.387 3.258 1.00 0.00 O ATOM 880 CB SER A 59 8.141 -8.498 1.151 1.00 0.00 C ATOM 881 OG SER A 59 9.522 -8.814 1.097 1.00 0.00 O ATOM 0 H SER A 59 5.826 -7.880 1.720 1.00 0.00 H new ATOM 0 HA SER A 59 8.122 -8.404 3.299 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.552 -9.410 1.058 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.877 -7.861 0.307 1.00 0.00 H new ATOM 0 HG SER A 59 9.721 -9.268 0.251 1.00 0.00 H new ATOM 887 N VAL A 60 7.989 -5.365 2.039 1.00 0.00 N ATOM 888 CA VAL A 60 8.537 -3.994 2.174 1.00 0.00 C ATOM 889 C VAL A 60 8.343 -3.416 3.593 1.00 0.00 C ATOM 890 O VAL A 60 8.970 -2.420 3.957 1.00 0.00 O ATOM 891 CB VAL A 60 7.917 -3.078 1.094 1.00 0.00 C ATOM 892 CG1 VAL A 60 6.438 -2.756 1.346 1.00 0.00 C ATOM 893 CG2 VAL A 60 8.680 -1.766 0.885 1.00 0.00 C ATOM 0 H VAL A 60 7.141 -5.406 1.474 1.00 0.00 H new ATOM 0 HA VAL A 60 9.615 -4.045 2.019 1.00 0.00 H new ATOM 0 HB VAL A 60 7.998 -3.672 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.066 -2.110 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.862 -3.681 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.334 -2.248 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.186 -1.177 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.696 -1.202 1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.702 -1.985 0.576 1.00 0.00 H new ATOM 903 N GLY A 61 7.488 -4.047 4.408 1.00 0.00 N ATOM 904 CA GLY A 61 7.110 -3.645 5.768 1.00 0.00 C ATOM 905 C GLY A 61 5.711 -3.019 5.893 1.00 0.00 C ATOM 906 O GLY A 61 5.278 -2.748 7.016 1.00 0.00 O ATOM 0 H GLY A 61 7.014 -4.902 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.160 -4.519 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.846 -2.931 6.138 1.00 0.00 H new ATOM 910 N LEU A 62 4.991 -2.807 4.780 1.00 0.00 N ATOM 911 CA LEU A 62 3.624 -2.272 4.766 1.00 0.00 C ATOM 912 C LEU A 62 2.631 -3.275 5.385 1.00 0.00 C ATOM 913 O LEU A 62 2.465 -4.389 4.884 1.00 0.00 O ATOM 914 CB LEU A 62 3.189 -1.901 3.329 1.00 0.00 C ATOM 915 CG LEU A 62 1.826 -1.166 3.326 1.00 0.00 C ATOM 916 CD1 LEU A 62 2.009 0.335 3.515 1.00 0.00 C ATOM 917 CD2 LEU A 62 1.017 -1.402 2.056 1.00 0.00 C ATOM 0 H LEU A 62 5.352 -3.007 3.847 1.00 0.00 H new ATOM 0 HA LEU A 62 3.617 -1.366 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.947 -1.267 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.119 -2.804 2.723 1.00 0.00 H new ATOM 0 HG LEU A 62 1.270 -1.587 4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.035 0.824 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.504 0.524 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.620 0.732 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.074 -0.859 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.582 -1.049 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.815 -2.468 1.946 1.00 0.00 H new ATOM 929 N ARG A 63 1.942 -2.866 6.454 1.00 0.00 N ATOM 930 CA ARG A 63 0.875 -3.637 7.120 1.00 0.00 C ATOM 931 C ARG A 63 -0.272 -2.729 7.578 1.00 0.00 C ATOM 932 O ARG A 63 -0.101 -1.511 7.662 1.00 0.00 O ATOM 933 CB ARG A 63 1.479 -4.488 8.252 1.00 0.00 C ATOM 934 CG ARG A 63 2.061 -3.649 9.398 1.00 0.00 C ATOM 935 CD ARG A 63 2.928 -4.486 10.338 1.00 0.00 C ATOM 936 NE ARG A 63 4.300 -4.629 9.807 1.00 0.00 N ATOM 937 CZ ARG A 63 5.238 -5.455 10.232 1.00 0.00 C ATOM 938 NH1 ARG A 63 5.008 -6.348 11.153 1.00 0.00 N ATOM 939 NH2 ARG A 63 6.439 -5.393 9.736 1.00 0.00 N ATOM 0 H ARG A 63 2.112 -1.963 6.897 1.00 0.00 H new ATOM 0 HA ARG A 63 0.425 -4.326 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.710 -5.150 8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.264 -5.123 7.841 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.656 -2.835 8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.248 -3.194 9.964 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.962 -4.017 11.321 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.481 -5.471 10.470 1.00 0.00 H new ATOM 0 HE ARG A 63 4.550 -4.022 9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.080 -6.424 11.569 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.756 -6.971 11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.659 -4.704 9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.161 -6.033 10.067 1.00 0.00 H new ATOM 953 N LYS A 64 -1.439 -3.303 7.883 1.00 0.00 N ATOM 954 CA LYS A 64 -2.597 -2.570 8.429 1.00 0.00 C ATOM 955 C LYS A 64 -2.298 -2.050 9.844 1.00 0.00 C ATOM 956 O LYS A 64 -1.864 -2.814 10.709 1.00 0.00 O ATOM 957 CB LYS A 64 -3.867 -3.450 8.381 1.00 0.00 C ATOM 958 CG LYS A 64 -4.980 -2.749 7.585 1.00 0.00 C ATOM 959 CD LYS A 64 -6.252 -3.597 7.414 1.00 0.00 C ATOM 960 CE LYS A 64 -6.356 -4.204 6.006 1.00 0.00 C ATOM 961 NZ LYS A 64 -7.770 -4.479 5.644 1.00 0.00 N ATOM 0 H LYS A 64 -1.614 -4.300 7.758 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.787 -1.696 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.633 -4.411 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.212 -3.657 9.394 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.241 -1.817 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.597 -2.484 6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.256 -4.397 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.128 -2.979 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.918 -3.520 5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.780 -5.128 5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.804 -5.224 4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.290 -4.793 6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.207 -3.613 5.270 1.00 0.00 H new ATOM 975 N ALA A 65 -2.490 -0.750 10.062 1.00 0.00 N ATOM 976 CA ALA A 65 -2.361 -0.095 11.365 1.00 0.00 C ATOM 977 C ALA A 65 -3.617 -0.337 12.237 1.00 0.00 C ATOM 978 O ALA A 65 -4.598 -0.939 11.786 1.00 0.00 O ATOM 979 CB ALA A 65 -2.096 1.401 11.127 1.00 0.00 C ATOM 0 H ALA A 65 -2.747 -0.104 9.316 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.524 -0.520 11.919 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.996 1.910 12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.176 1.521 10.555 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.928 1.834 10.571 1.00 0.00 H new ATOM 985 N LEU A 66 -3.602 0.138 13.488 1.00 0.00 N ATOM 986 CA LEU A 66 -4.720 0.027 14.435 1.00 0.00 C ATOM 987 C LEU A 66 -4.756 1.231 15.396 1.00 0.00 C ATOM 988 O LEU A 66 -3.735 1.589 15.989 1.00 0.00 O ATOM 989 CB LEU A 66 -4.579 -1.311 15.191 1.00 0.00 C ATOM 990 CG LEU A 66 -5.734 -1.629 16.160 1.00 0.00 C ATOM 991 CD1 LEU A 66 -7.044 -1.923 15.423 1.00 0.00 C ATOM 992 CD2 LEU A 66 -5.382 -2.856 17.001 1.00 0.00 C ATOM 0 H LEU A 66 -2.794 0.622 13.880 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.669 0.039 13.898 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.502 -2.118 14.462 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.645 -1.298 15.753 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.873 -0.748 16.786 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.828 -2.141 16.148 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.330 -1.055 14.829 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.907 -2.782 14.767 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.202 -3.076 17.684 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.216 -3.711 16.346 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.476 -2.657 17.574 1.00 0.00 H new ATOM 1004 N ALA A 67 -5.931 1.849 15.557 1.00 0.00 N ATOM 1005 CA ALA A 67 -6.185 2.947 16.498 1.00 0.00 C ATOM 1006 C ALA A 67 -6.716 2.452 17.872 1.00 0.00 C ATOM 1007 O ALA A 67 -7.264 1.347 17.959 1.00 0.00 O ATOM 1008 CB ALA A 67 -7.159 3.934 15.828 1.00 0.00 C ATOM 0 H ALA A 67 -6.758 1.591 15.019 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.243 3.447 16.723 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.364 4.761 16.508 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.713 4.320 14.912 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.090 3.421 15.589 1.00 0.00 H new ATOM 1014 N PRO A 68 -6.588 3.262 18.946 1.00 0.00 N ATOM 1015 CA PRO A 68 -7.061 2.929 20.293 1.00 0.00 C ATOM 1016 C PRO A 68 -8.600 2.973 20.401 1.00 0.00 C ATOM 1017 O PRO A 68 -9.205 4.045 20.471 1.00 0.00 O ATOM 1018 CB PRO A 68 -6.373 3.935 21.224 1.00 0.00 C ATOM 1019 CG PRO A 68 -6.157 5.160 20.335 1.00 0.00 C ATOM 1020 CD PRO A 68 -5.883 4.540 18.967 1.00 0.00 C ATOM 0 HA PRO A 68 -6.807 1.904 20.565 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.994 4.171 22.088 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.429 3.546 21.607 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.034 5.807 20.318 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.320 5.767 20.679 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.236 5.191 18.167 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.814 4.396 18.813 1.00 0.00 H new ATOM 1028 N GLU A 69 -9.240 1.801 20.418 1.00 0.00 N ATOM 1029 CA GLU A 69 -10.694 1.601 20.555 1.00 0.00 C ATOM 1030 C GLU A 69 -11.037 0.393 21.459 1.00 0.00 C ATOM 1031 O GLU A 69 -10.153 -0.321 21.944 1.00 0.00 O ATOM 1032 CB GLU A 69 -11.335 1.450 19.158 1.00 0.00 C ATOM 1033 CG GLU A 69 -11.461 2.784 18.412 1.00 0.00 C ATOM 1034 CD GLU A 69 -12.329 2.632 17.149 1.00 0.00 C ATOM 1035 OE1 GLU A 69 -13.581 2.664 17.258 1.00 0.00 O ATOM 1036 OE2 GLU A 69 -11.772 2.489 16.032 1.00 0.00 O ATOM 0 H GLU A 69 -8.737 0.918 20.333 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.109 2.482 21.045 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.737 0.761 18.562 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.324 1.004 19.264 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.900 3.533 19.071 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.470 3.145 18.135 1.00 0.00 H new ATOM 1043 N GLU A 70 -12.337 0.166 21.691 1.00 0.00 N ATOM 1044 CA GLU A 70 -12.939 -0.906 22.514 1.00 0.00 C ATOM 1045 C GLU A 70 -13.813 -1.890 21.708 1.00 0.00 C ATOM 1046 O GLU A 70 -14.464 -1.474 20.721 1.00 0.00 O ATOM 1047 CB GLU A 70 -13.704 -0.286 23.702 1.00 0.00 C ATOM 1048 CG GLU A 70 -14.913 0.587 23.308 1.00 0.00 C ATOM 1049 CD GLU A 70 -15.540 1.295 24.531 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -14.887 2.180 25.141 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -16.709 0.994 24.887 1.00 0.00 O ATOM 1052 OXT GLU A 70 -13.822 -3.093 22.059 1.00 0.00 O ATOM 0 H GLU A 70 -13.052 0.767 21.281 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.122 -1.516 22.899 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.050 -1.090 24.352 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.011 0.320 24.286 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.599 1.334 22.579 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.666 -0.034 22.823 1.00 0.00 H new TER 1059 GLU A 70