USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 494 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 37 HIS : no HE2:sc= -6.87! C(o=-6.9!,f=-8.4!) USER MOD Set 1.2: A 44 TYR OH : rot 120:sc= 0 USER MOD Set 2.1: A 26 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 30 TYR OH : rot 30:sc= -0.163 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0786 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 36:sc= 0.33 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 2:sc= 0.437 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0633 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0145 K(o=-0.015,f=-0.68) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0178 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00695 X(o=-0.0069,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.898 19.734 27.329 1.00 0.00 N ATOM 2 CA GLY A 1 -8.913 20.131 28.286 1.00 0.00 C ATOM 3 C GLY A 1 -10.315 20.035 27.717 1.00 0.00 C ATOM 4 O GLY A 1 -10.899 21.040 27.312 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.958 19.817 27.766 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.060 18.748 27.040 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.948 20.352 26.494 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.840 19.500 29.172 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.724 21.155 28.608 1.00 0.00 H new ATOM 8 N SER A 2 -10.857 18.821 27.685 1.00 0.00 N ATOM 9 CA SER A 2 -12.197 18.596 27.156 1.00 0.00 C ATOM 10 C SER A 2 -12.343 19.209 25.767 1.00 0.00 C ATOM 11 O SER A 2 -13.280 19.962 25.504 1.00 0.00 O ATOM 12 CB SER A 2 -13.246 19.187 28.099 1.00 0.00 C ATOM 13 OG SER A 2 -13.467 18.339 29.213 1.00 0.00 O ATOM 0 H SER A 2 -10.389 17.979 28.019 1.00 0.00 H new ATOM 0 HA SER A 2 -12.354 17.520 27.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.918 20.168 28.444 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.182 19.335 27.560 1.00 0.00 H new ATOM 0 HG SER A 2 -14.140 18.740 29.801 1.00 0.00 H new ATOM 19 N SER A 3 -11.409 18.879 24.880 1.00 0.00 N ATOM 20 CA SER A 3 -11.430 19.399 23.518 1.00 0.00 C ATOM 21 C SER A 3 -10.752 18.429 22.556 1.00 0.00 C ATOM 22 O SER A 3 -9.785 17.757 22.912 1.00 0.00 O ATOM 23 CB SER A 3 -10.736 20.761 23.459 1.00 0.00 C ATOM 24 OG SER A 3 -10.879 21.352 22.179 1.00 0.00 O ATOM 0 H SER A 3 -10.628 18.254 25.081 1.00 0.00 H new ATOM 0 HA SER A 3 -12.471 19.516 23.216 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.158 21.421 24.217 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.678 20.644 23.693 1.00 0.00 H new ATOM 0 HG SER A 3 -10.428 22.222 22.168 1.00 0.00 H new ATOM 30 N GLY A 4 -11.269 18.360 21.332 1.00 0.00 N ATOM 31 CA GLY A 4 -10.703 17.470 20.336 1.00 0.00 C ATOM 32 C GLY A 4 -11.766 16.730 19.548 1.00 0.00 C ATOM 33 O GLY A 4 -11.930 16.958 18.350 1.00 0.00 O ATOM 0 H GLY A 4 -12.070 18.905 21.013 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.082 18.046 19.650 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.051 16.748 20.827 1.00 0.00 H new ATOM 37 N SER A 5 -12.488 15.841 20.222 1.00 0.00 N ATOM 38 CA SER A 5 -13.537 15.061 19.576 1.00 0.00 C ATOM 39 C SER A 5 -14.819 15.878 19.446 1.00 0.00 C ATOM 40 O SER A 5 -15.584 16.009 20.401 1.00 0.00 O ATOM 41 CB SER A 5 -13.812 13.782 20.368 1.00 0.00 C ATOM 42 OG SER A 5 -12.841 12.789 20.087 1.00 0.00 O ATOM 0 H SER A 5 -12.366 15.643 21.215 1.00 0.00 H new ATOM 0 HA SER A 5 -13.194 14.794 18.577 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.811 14.004 21.435 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.804 13.404 20.122 1.00 0.00 H new ATOM 0 HG SER A 5 -13.038 11.982 20.607 1.00 0.00 H new ATOM 48 N SER A 6 -15.046 16.426 18.256 1.00 0.00 N ATOM 49 CA SER A 6 -16.233 17.233 18.001 1.00 0.00 C ATOM 50 C SER A 6 -16.653 17.134 16.537 1.00 0.00 C ATOM 51 O SER A 6 -15.851 17.361 15.633 1.00 0.00 O ATOM 52 CB SER A 6 -15.970 18.695 18.369 1.00 0.00 C ATOM 53 OG SER A 6 -15.484 18.807 19.696 1.00 0.00 O ATOM 0 H SER A 6 -14.424 16.326 17.454 1.00 0.00 H new ATOM 0 HA SER A 6 -17.043 16.849 18.621 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.246 19.123 17.676 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.890 19.271 18.265 1.00 0.00 H new ATOM 0 HG SER A 6 -15.322 19.750 19.907 1.00 0.00 H new ATOM 59 N GLY A 7 -17.918 16.792 16.313 1.00 0.00 N ATOM 60 CA GLY A 7 -18.424 16.668 14.959 1.00 0.00 C ATOM 61 C GLY A 7 -18.460 15.229 14.483 1.00 0.00 C ATOM 62 O GLY A 7 -19.289 14.439 14.936 1.00 0.00 O ATOM 0 H GLY A 7 -18.601 16.599 17.045 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.428 17.089 14.910 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.799 17.255 14.286 1.00 0.00 H new ATOM 66 N MET A 8 -17.561 14.888 13.566 1.00 0.00 N ATOM 67 CA MET A 8 -17.494 13.534 13.029 1.00 0.00 C ATOM 68 C MET A 8 -16.179 12.862 13.410 1.00 0.00 C ATOM 69 O MET A 8 -15.145 13.511 13.570 1.00 0.00 O ATOM 70 CB MET A 8 -17.644 13.558 11.506 1.00 0.00 C ATOM 71 CG MET A 8 -19.025 13.991 11.039 1.00 0.00 C ATOM 72 SD MET A 8 -20.345 12.999 11.763 1.00 0.00 S ATOM 73 CE MET A 8 -21.785 13.948 11.279 1.00 0.00 C ATOM 0 H MET A 8 -16.869 15.530 13.179 1.00 0.00 H new ATOM 0 HA MET A 8 -18.314 12.959 13.459 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.899 14.234 11.086 1.00 0.00 H new ATOM 0 HB3 MET A 8 -17.431 12.564 11.112 1.00 0.00 H new ATOM 0 HG2 MET A 8 -19.180 15.039 11.297 1.00 0.00 H new ATOM 0 HG3 MET A 8 -19.076 13.919 9.953 1.00 0.00 H new ATOM 0 HE1 MET A 8 -22.685 13.461 11.654 1.00 0.00 H new ATOM 0 HE2 MET A 8 -21.716 14.953 11.696 1.00 0.00 H new ATOM 0 HE3 MET A 8 -21.832 14.009 10.192 1.00 0.00 H new ATOM 83 N PRO A 9 -16.216 11.529 13.561 1.00 0.00 N ATOM 84 CA PRO A 9 -15.035 10.741 13.926 1.00 0.00 C ATOM 85 C PRO A 9 -14.007 10.683 12.801 1.00 0.00 C ATOM 86 O PRO A 9 -14.161 9.925 11.844 1.00 0.00 O ATOM 87 CB PRO A 9 -15.609 9.348 14.197 1.00 0.00 C ATOM 88 CG PRO A 9 -16.862 9.291 13.393 1.00 0.00 C ATOM 89 CD PRO A 9 -17.413 10.690 13.386 1.00 0.00 C ATOM 0 HA PRO A 9 -14.504 11.171 14.775 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.910 8.567 13.897 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -15.813 9.203 15.258 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -16.660 8.946 12.379 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.575 8.593 13.831 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.928 10.914 12.452 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.132 10.843 14.191 1.00 0.00 H new ATOM 97 N SER A 10 -12.957 11.489 12.925 1.00 0.00 N ATOM 98 CA SER A 10 -11.904 11.532 11.917 1.00 0.00 C ATOM 99 C SER A 10 -11.115 10.226 11.899 1.00 0.00 C ATOM 100 O SER A 10 -10.564 9.807 12.917 1.00 0.00 O ATOM 101 CB SER A 10 -10.961 12.706 12.184 1.00 0.00 C ATOM 102 OG SER A 10 -10.358 12.596 13.461 1.00 0.00 O ATOM 0 H SER A 10 -12.813 12.121 13.713 1.00 0.00 H new ATOM 0 HA SER A 10 -12.374 11.666 10.943 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.189 12.738 11.415 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.514 13.643 12.119 1.00 0.00 H new ATOM 0 HG SER A 10 -10.179 11.653 13.658 1.00 0.00 H new ATOM 108 N ARG A 11 -11.066 9.587 10.734 1.00 0.00 N ATOM 109 CA ARG A 11 -10.347 8.328 10.583 1.00 0.00 C ATOM 110 C ARG A 11 -8.963 8.562 9.984 1.00 0.00 C ATOM 111 O ARG A 11 -8.820 9.249 8.972 1.00 0.00 O ATOM 112 CB ARG A 11 -11.141 7.366 9.699 1.00 0.00 C ATOM 113 CG ARG A 11 -10.459 6.023 9.495 1.00 0.00 C ATOM 114 CD ARG A 11 -11.457 4.946 9.096 1.00 0.00 C ATOM 115 NE ARG A 11 -11.840 5.048 7.691 1.00 0.00 N ATOM 116 CZ ARG A 11 -12.964 4.541 7.196 1.00 0.00 C ATOM 117 NH1 ARG A 11 -13.811 3.900 7.990 1.00 0.00 N ATOM 118 NH2 ARG A 11 -13.242 4.674 5.906 1.00 0.00 N ATOM 0 H ARG A 11 -11.516 9.921 9.882 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.226 7.886 11.572 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.122 7.202 10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.306 7.831 8.727 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.694 6.116 8.724 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.952 5.728 10.414 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.024 3.963 9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.346 5.027 9.721 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.210 5.535 7.054 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.600 3.796 8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.673 3.511 7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.593 5.166 5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.105 4.284 5.528 1.00 0.00 H new ATOM 132 N LYS A 12 -7.946 7.986 10.616 1.00 0.00 N ATOM 133 CA LYS A 12 -6.573 8.129 10.146 1.00 0.00 C ATOM 134 C LYS A 12 -6.522 8.191 8.623 1.00 0.00 C ATOM 135 O LYS A 12 -5.739 8.947 8.048 1.00 0.00 O ATOM 136 CB LYS A 12 -5.716 6.965 10.649 1.00 0.00 C ATOM 137 CG LYS A 12 -4.237 7.297 10.746 1.00 0.00 C ATOM 138 CD LYS A 12 -3.435 6.119 11.273 1.00 0.00 C ATOM 139 CE LYS A 12 -2.051 6.549 11.736 1.00 0.00 C ATOM 140 NZ LYS A 12 -1.178 6.933 10.592 1.00 0.00 N ATOM 0 H LYS A 12 -8.047 7.415 11.455 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.175 9.063 10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.076 6.657 11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.846 6.114 9.981 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.862 7.583 9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.098 8.156 11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.969 5.656 12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.340 5.364 10.493 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.143 7.391 12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.585 5.735 12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.244 7.220 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.069 6.122 9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.610 7.726 10.077 1.00 0.00 H new ATOM 154 N PHE A 13 -7.363 7.391 7.975 1.00 0.00 N ATOM 155 CA PHE A 13 -7.414 7.355 6.518 1.00 0.00 C ATOM 156 C PHE A 13 -8.852 7.475 6.021 1.00 0.00 C ATOM 157 O PHE A 13 -9.795 7.123 6.728 1.00 0.00 O ATOM 158 CB PHE A 13 -6.789 6.060 5.996 1.00 0.00 C ATOM 159 CG PHE A 13 -5.502 5.697 6.681 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.316 6.322 6.331 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.479 4.731 7.674 1.00 0.00 C ATOM 162 CE1 PHE A 13 -3.130 5.989 6.959 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.296 4.395 8.306 1.00 0.00 C ATOM 164 CZ PHE A 13 -3.121 5.025 7.948 1.00 0.00 C ATOM 0 H PHE A 13 -8.018 6.759 8.436 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.845 8.204 6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.502 5.245 6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.606 6.160 4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.318 7.078 5.559 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.395 4.235 7.958 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.212 6.482 6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.291 3.641 9.079 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.196 4.764 8.441 1.00 0.00 H new ATOM 174 N ALA A 14 -9.009 7.976 4.800 1.00 0.00 N ATOM 175 CA ALA A 14 -10.331 8.143 4.207 1.00 0.00 C ATOM 176 C ALA A 14 -10.618 7.043 3.191 1.00 0.00 C ATOM 177 O ALA A 14 -9.729 6.273 2.827 1.00 0.00 O ATOM 178 CB ALA A 14 -10.448 9.512 3.555 1.00 0.00 C ATOM 0 H ALA A 14 -8.238 8.273 4.202 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.072 8.069 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.440 9.623 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.295 10.287 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.693 9.609 2.774 1.00 0.00 H new ATOM 184 N ASP A 15 -11.865 6.975 2.736 1.00 0.00 N ATOM 185 CA ASP A 15 -12.269 5.970 1.761 1.00 0.00 C ATOM 186 C ASP A 15 -11.783 6.342 0.363 1.00 0.00 C ATOM 187 O ASP A 15 -12.066 7.431 -0.134 1.00 0.00 O ATOM 188 CB ASP A 15 -13.791 5.812 1.760 1.00 0.00 C ATOM 189 CG ASP A 15 -14.511 7.144 1.833 1.00 0.00 C ATOM 190 OD1 ASP A 15 -14.443 7.798 2.894 1.00 0.00 O ATOM 191 OD2 ASP A 15 -15.143 7.533 0.828 1.00 0.00 O ATOM 0 H ASP A 15 -12.613 7.604 3.027 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.813 5.021 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.098 5.285 0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.090 5.194 2.607 1.00 0.00 H new ATOM 196 N GLY A 16 -11.049 5.429 -0.265 1.00 0.00 N ATOM 197 CA GLY A 16 -10.534 5.681 -1.598 1.00 0.00 C ATOM 198 C GLY A 16 -9.125 6.237 -1.580 1.00 0.00 C ATOM 199 O GLY A 16 -8.353 6.020 -2.513 1.00 0.00 O ATOM 0 H GLY A 16 -10.802 4.520 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.548 4.754 -2.171 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.191 6.383 -2.111 1.00 0.00 H new ATOM 203 N GLU A 17 -8.789 6.960 -0.516 1.00 0.00 N ATOM 204 CA GLU A 17 -7.463 7.552 -0.382 1.00 0.00 C ATOM 205 C GLU A 17 -6.376 6.532 -0.711 1.00 0.00 C ATOM 206 O GLU A 17 -6.484 5.358 -0.357 1.00 0.00 O ATOM 207 CB GLU A 17 -7.261 8.090 1.036 1.00 0.00 C ATOM 208 CG GLU A 17 -6.209 9.182 1.128 1.00 0.00 C ATOM 209 CD GLU A 17 -6.474 10.329 0.172 1.00 0.00 C ATOM 210 OE1 GLU A 17 -7.658 10.659 -0.046 1.00 0.00 O ATOM 211 OE2 GLU A 17 -5.496 10.897 -0.359 1.00 0.00 O ATOM 0 H GLU A 17 -9.417 7.150 0.265 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.389 8.378 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.209 8.479 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.976 7.267 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.176 9.564 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.229 8.756 0.915 1.00 0.00 H new ATOM 218 N VAL A 18 -5.330 6.989 -1.391 1.00 0.00 N ATOM 219 CA VAL A 18 -4.223 6.118 -1.768 1.00 0.00 C ATOM 220 C VAL A 18 -3.065 6.244 -0.784 1.00 0.00 C ATOM 221 O VAL A 18 -2.333 7.233 -0.794 1.00 0.00 O ATOM 222 CB VAL A 18 -3.714 6.438 -3.186 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.596 5.486 -3.580 1.00 0.00 C ATOM 224 CG2 VAL A 18 -4.857 6.375 -4.189 1.00 0.00 C ATOM 0 H VAL A 18 -5.226 7.958 -1.692 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.603 5.097 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.313 7.452 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.249 5.728 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.769 5.585 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.967 4.461 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.480 6.604 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.289 5.374 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.622 7.102 -3.915 1.00 0.00 H new ATOM 234 N VAL A 19 -2.905 5.233 0.065 1.00 0.00 N ATOM 235 CA VAL A 19 -1.835 5.229 1.055 1.00 0.00 C ATOM 236 C VAL A 19 -0.895 4.049 0.843 1.00 0.00 C ATOM 237 O VAL A 19 -1.134 3.197 -0.013 1.00 0.00 O ATOM 238 CB VAL A 19 -2.397 5.174 2.488 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.384 6.307 2.719 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.049 3.825 2.752 1.00 0.00 C ATOM 0 H VAL A 19 -3.503 4.407 0.087 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.280 6.158 0.926 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.571 5.296 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.770 6.251 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.881 7.263 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.209 6.220 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.441 3.803 3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.865 3.671 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.309 3.034 2.631 1.00 0.00 H new ATOM 250 N ARG A 20 0.176 4.003 1.629 1.00 0.00 N ATOM 251 CA ARG A 20 1.154 2.927 1.527 1.00 0.00 C ATOM 252 C ARG A 20 0.885 1.847 2.572 1.00 0.00 C ATOM 253 O ARG A 20 0.911 2.111 3.773 1.00 0.00 O ATOM 254 CB ARG A 20 2.570 3.478 1.701 1.00 0.00 C ATOM 255 CG ARG A 20 2.865 4.687 0.829 1.00 0.00 C ATOM 256 CD ARG A 20 3.159 4.281 -0.607 1.00 0.00 C ATOM 257 NE ARG A 20 3.667 5.397 -1.398 1.00 0.00 N ATOM 258 CZ ARG A 20 4.917 5.842 -1.324 1.00 0.00 C ATOM 259 NH1 ARG A 20 5.781 5.267 -0.499 1.00 0.00 N ATOM 260 NH2 ARG A 20 5.305 6.863 -2.077 1.00 0.00 N ATOM 0 H ARG A 20 0.388 4.699 2.344 1.00 0.00 H new ATOM 0 HA ARG A 20 1.064 2.481 0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.719 3.749 2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.288 2.691 1.471 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.014 5.367 0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.717 5.231 1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.889 3.471 -0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.250 3.894 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 20 3.028 5.861 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.487 4.481 0.081 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.740 5.611 -0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.644 7.307 -2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.265 7.204 -2.019 1.00 0.00 H new ATOM 274 N GLY A 21 0.626 0.630 2.104 1.00 0.00 N ATOM 275 CA GLY A 21 0.355 -0.471 3.011 1.00 0.00 C ATOM 276 C GLY A 21 1.470 -1.497 3.026 1.00 0.00 C ATOM 277 O GLY A 21 2.060 -1.798 1.988 1.00 0.00 O ATOM 0 H GLY A 21 0.599 0.386 1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.211 -0.081 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.577 -0.956 2.721 1.00 0.00 H new ATOM 281 N ARG A 22 1.762 -2.034 4.206 1.00 0.00 N ATOM 282 CA ARG A 22 2.816 -3.031 4.353 1.00 0.00 C ATOM 283 C ARG A 22 2.261 -4.440 4.168 1.00 0.00 C ATOM 284 O ARG A 22 1.618 -4.987 5.064 1.00 0.00 O ATOM 285 CB ARG A 22 3.477 -2.907 5.727 1.00 0.00 C ATOM 286 CG ARG A 22 4.769 -3.696 5.854 1.00 0.00 C ATOM 287 CD ARG A 22 5.385 -3.536 7.235 1.00 0.00 C ATOM 288 NE ARG A 22 6.815 -3.833 7.235 1.00 0.00 N ATOM 289 CZ ARG A 22 7.519 -4.065 8.337 1.00 0.00 C ATOM 290 NH1 ARG A 22 6.927 -4.035 9.523 1.00 0.00 N ATOM 291 NH2 ARG A 22 8.817 -4.328 8.255 1.00 0.00 N ATOM 0 H ARG A 22 1.283 -1.795 5.075 1.00 0.00 H new ATOM 0 HA ARG A 22 3.564 -2.850 3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.682 -1.856 5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.777 -3.247 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.573 -4.751 5.662 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.478 -3.360 5.097 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.227 -2.516 7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.877 -4.198 7.937 1.00 0.00 H new ATOM 0 HE ARG A 22 7.300 -3.864 6.338 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.929 -3.834 9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.469 -4.213 10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.276 -4.352 7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.356 -4.506 9.103 1.00 0.00 H new ATOM 305 N TRP A 23 2.515 -5.022 3.001 1.00 0.00 N ATOM 306 CA TRP A 23 2.040 -6.367 2.699 1.00 0.00 C ATOM 307 C TRP A 23 2.545 -7.367 3.733 1.00 0.00 C ATOM 308 O TRP A 23 3.685 -7.298 4.195 1.00 0.00 O ATOM 309 CB TRP A 23 2.494 -6.788 1.301 1.00 0.00 C ATOM 310 CG TRP A 23 2.056 -8.172 0.925 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.564 -9.348 1.396 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.022 -8.521 -0.001 1.00 0.00 C ATOM 313 NE1 TRP A 23 1.908 -10.409 0.818 1.00 0.00 N ATOM 314 CE2 TRP A 23 0.957 -9.928 -0.042 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.143 -7.783 -0.799 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.049 -10.608 -0.849 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.757 -8.459 -1.600 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.800 -9.860 -1.620 1.00 0.00 C ATOM 0 H TRP A 23 3.047 -4.584 2.249 1.00 0.00 H new ATOM 0 HA TRP A 23 0.951 -6.357 2.732 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.102 -6.080 0.571 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.581 -6.732 1.248 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.364 -9.433 2.117 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.099 -11.394 1.000 1.00 0.00 H new ATOM 0 HE3 TRP A 23 0.167 -6.703 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.015 -11.687 -0.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.439 -7.898 -2.222 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.516 -10.359 -2.256 1.00 0.00 H new ATOM 329 N PRO A 24 1.680 -8.321 4.108 1.00 0.00 N ATOM 330 CA PRO A 24 2.017 -9.355 5.091 1.00 0.00 C ATOM 331 C PRO A 24 3.037 -10.353 4.556 1.00 0.00 C ATOM 332 O PRO A 24 2.749 -11.117 3.636 1.00 0.00 O ATOM 333 CB PRO A 24 0.677 -10.047 5.352 1.00 0.00 C ATOM 334 CG PRO A 24 -0.118 -9.813 4.114 1.00 0.00 C ATOM 335 CD PRO A 24 0.305 -8.465 3.599 1.00 0.00 C ATOM 0 HA PRO A 24 2.475 -8.933 5.985 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.812 -11.112 5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.179 -9.629 6.227 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.073 -10.591 3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.187 -9.832 4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.273 -8.423 2.510 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.345 -7.672 3.968 1.00 0.00 H new ATOM 343 N GLY A 25 4.232 -10.342 5.140 1.00 0.00 N ATOM 344 CA GLY A 25 5.277 -11.252 4.708 1.00 0.00 C ATOM 345 C GLY A 25 6.369 -10.551 3.923 1.00 0.00 C ATOM 346 O GLY A 25 7.547 -10.882 4.055 1.00 0.00 O ATOM 0 H GLY A 25 4.495 -9.719 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.715 -11.737 5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.839 -12.038 4.093 1.00 0.00 H new ATOM 350 N SER A 26 5.976 -9.581 3.104 1.00 0.00 N ATOM 351 CA SER A 26 6.930 -8.835 2.291 1.00 0.00 C ATOM 352 C SER A 26 7.599 -7.735 3.110 1.00 0.00 C ATOM 353 O SER A 26 8.690 -7.274 2.776 1.00 0.00 O ATOM 354 CB SER A 26 6.229 -8.225 1.076 1.00 0.00 C ATOM 355 OG SER A 26 7.118 -8.111 -0.022 1.00 0.00 O ATOM 0 H SER A 26 5.005 -9.293 2.986 1.00 0.00 H new ATOM 0 HA SER A 26 7.698 -9.528 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.377 -8.844 0.795 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.837 -7.241 1.334 1.00 0.00 H new ATOM 0 HG SER A 26 6.614 -7.872 -0.828 1.00 0.00 H new ATOM 361 N SER A 27 6.937 -7.321 4.186 1.00 0.00 N ATOM 362 CA SER A 27 7.465 -6.273 5.052 1.00 0.00 C ATOM 363 C SER A 27 7.859 -5.044 4.239 1.00 0.00 C ATOM 364 O SER A 27 8.812 -4.341 4.577 1.00 0.00 O ATOM 365 CB SER A 27 8.674 -6.790 5.834 1.00 0.00 C ATOM 366 OG SER A 27 9.763 -7.063 4.969 1.00 0.00 O ATOM 0 H SER A 27 6.034 -7.695 4.479 1.00 0.00 H new ATOM 0 HA SER A 27 6.682 -5.987 5.754 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.973 -6.051 6.578 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.400 -7.695 6.376 1.00 0.00 H new ATOM 0 HG SER A 27 9.519 -6.825 4.050 1.00 0.00 H new ATOM 372 N LEU A 28 7.119 -4.790 3.166 1.00 0.00 N ATOM 373 CA LEU A 28 7.390 -3.646 2.303 1.00 0.00 C ATOM 374 C LEU A 28 6.118 -2.841 2.052 1.00 0.00 C ATOM 375 O LEU A 28 5.054 -3.405 1.799 1.00 0.00 O ATOM 376 CB LEU A 28 7.981 -4.113 0.972 1.00 0.00 C ATOM 377 CG LEU A 28 9.416 -4.641 1.024 1.00 0.00 C ATOM 378 CD1 LEU A 28 9.830 -5.195 -0.330 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.372 -3.545 1.470 1.00 0.00 C ATOM 0 H LEU A 28 6.326 -5.361 2.873 1.00 0.00 H new ATOM 0 HA LEU A 28 8.112 -3.005 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.341 -4.897 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.947 -3.280 0.270 1.00 0.00 H new ATOM 0 HG LEU A 28 9.459 -5.450 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.853 -5.566 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.163 -6.011 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.771 -4.406 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.388 -3.939 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.326 -2.714 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.088 -3.196 2.463 1.00 0.00 H new ATOM 391 N TYR A 29 6.238 -1.519 2.121 1.00 0.00 N ATOM 392 CA TYR A 29 5.099 -0.636 1.902 1.00 0.00 C ATOM 393 C TYR A 29 4.853 -0.424 0.411 1.00 0.00 C ATOM 394 O TYR A 29 5.749 -0.007 -0.324 1.00 0.00 O ATOM 395 CB TYR A 29 5.331 0.710 2.589 1.00 0.00 C ATOM 396 CG TYR A 29 5.487 0.606 4.089 1.00 0.00 C ATOM 397 CD1 TYR A 29 4.377 0.479 4.916 1.00 0.00 C ATOM 398 CD2 TYR A 29 6.744 0.634 4.681 1.00 0.00 C ATOM 399 CE1 TYR A 29 4.514 0.383 6.287 1.00 0.00 C ATOM 400 CE2 TYR A 29 6.891 0.538 6.051 1.00 0.00 C ATOM 401 CZ TYR A 29 5.773 0.413 6.850 1.00 0.00 C ATOM 402 OH TYR A 29 5.915 0.318 8.215 1.00 0.00 O ATOM 0 H TYR A 29 7.113 -1.036 2.327 1.00 0.00 H new ATOM 0 HA TYR A 29 4.217 -1.109 2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.225 1.173 2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.495 1.372 2.364 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.390 0.455 4.479 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.621 0.733 4.059 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.641 0.285 6.915 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.876 0.561 6.494 1.00 0.00 H new ATOM 0 HH TYR A 29 6.866 0.354 8.448 1.00 0.00 H new ATOM 412 N TYR A 30 3.634 -0.712 -0.028 1.00 0.00 N ATOM 413 CA TYR A 30 3.269 -0.555 -1.431 1.00 0.00 C ATOM 414 C TYR A 30 2.074 0.382 -1.582 1.00 0.00 C ATOM 415 O TYR A 30 1.353 0.644 -0.620 1.00 0.00 O ATOM 416 CB TYR A 30 2.946 -1.915 -2.051 1.00 0.00 C ATOM 417 CG TYR A 30 4.125 -2.862 -2.081 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.074 -2.788 -3.093 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.288 -3.831 -1.099 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.153 -3.651 -3.125 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.364 -4.698 -1.123 1.00 0.00 C ATOM 422 CZ TYR A 30 6.293 -4.604 -2.138 1.00 0.00 C ATOM 423 OH TYR A 30 7.365 -5.466 -2.165 1.00 0.00 O ATOM 0 H TYR A 30 2.881 -1.056 0.568 1.00 0.00 H new ATOM 0 HA TYR A 30 4.119 -0.117 -1.954 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.134 -2.377 -1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.585 -1.765 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.967 -2.043 -3.868 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.562 -3.908 -0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.882 -3.580 -3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.477 -5.445 -0.351 1.00 0.00 H new ATOM 0 HH TYR A 30 8.130 -5.024 -2.589 1.00 0.00 H new ATOM 433 N GLU A 31 1.872 0.881 -2.797 1.00 0.00 N ATOM 434 CA GLU A 31 0.764 1.789 -3.074 1.00 0.00 C ATOM 435 C GLU A 31 -0.564 1.038 -3.089 1.00 0.00 C ATOM 436 O GLU A 31 -0.856 0.288 -4.021 1.00 0.00 O ATOM 437 CB GLU A 31 0.979 2.495 -4.414 1.00 0.00 C ATOM 438 CG GLU A 31 -0.191 3.369 -4.836 1.00 0.00 C ATOM 439 CD GLU A 31 0.090 4.147 -6.106 1.00 0.00 C ATOM 440 OE1 GLU A 31 1.255 4.545 -6.314 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.857 4.358 -6.894 1.00 0.00 O ATOM 0 H GLU A 31 2.460 0.673 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 31 0.730 2.535 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.877 3.110 -4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.159 1.746 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.071 2.744 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.427 4.066 -4.032 1.00 0.00 H new ATOM 448 N VAL A 32 -1.366 1.244 -2.049 1.00 0.00 N ATOM 449 CA VAL A 32 -2.663 0.588 -1.942 1.00 0.00 C ATOM 450 C VAL A 32 -3.777 1.605 -1.719 1.00 0.00 C ATOM 451 O VAL A 32 -3.522 2.738 -1.311 1.00 0.00 O ATOM 452 CB VAL A 32 -2.681 -0.436 -0.792 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.644 -1.523 -1.030 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.444 0.256 0.542 1.00 0.00 C ATOM 0 H VAL A 32 -1.140 1.860 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.833 0.068 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.664 -0.905 -0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.671 -2.238 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.864 -2.038 -1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.653 -1.074 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.460 -0.483 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.474 0.753 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.228 0.994 0.713 1.00 0.00 H new ATOM 464 N GLU A 33 -5.011 1.192 -1.988 1.00 0.00 N ATOM 465 CA GLU A 33 -6.164 2.069 -1.817 1.00 0.00 C ATOM 466 C GLU A 33 -7.014 1.624 -0.630 1.00 0.00 C ATOM 467 O GLU A 33 -7.084 0.436 -0.315 1.00 0.00 O ATOM 468 CB GLU A 33 -7.014 2.085 -3.089 1.00 0.00 C ATOM 469 CG GLU A 33 -8.440 2.556 -2.862 1.00 0.00 C ATOM 470 CD GLU A 33 -9.191 2.789 -4.158 1.00 0.00 C ATOM 471 OE1 GLU A 33 -9.071 1.946 -5.072 1.00 0.00 O ATOM 472 OE2 GLU A 33 -9.898 3.813 -4.259 1.00 0.00 O ATOM 0 H GLU A 33 -5.238 0.257 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.796 3.076 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.539 2.733 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.035 1.082 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.973 1.815 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.426 3.480 -2.284 1.00 0.00 H new ATOM 479 N ILE A 34 -7.656 2.586 0.024 1.00 0.00 N ATOM 480 CA ILE A 34 -8.501 2.294 1.175 1.00 0.00 C ATOM 481 C ILE A 34 -9.898 1.867 0.737 1.00 0.00 C ATOM 482 O ILE A 34 -10.587 2.597 0.023 1.00 0.00 O ATOM 483 CB ILE A 34 -8.618 3.511 2.111 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.231 3.961 2.574 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.499 3.178 3.306 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.562 2.985 3.516 1.00 0.00 C ATOM 0 H ILE A 34 -7.607 3.574 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.026 1.475 1.715 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.080 4.330 1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.595 4.105 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.318 4.929 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.572 4.048 3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.494 2.901 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.063 2.346 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.583 3.369 3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.178 2.859 4.407 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.443 2.023 3.018 1.00 0.00 H new ATOM 498 N LEU A 35 -10.312 0.681 1.171 1.00 0.00 N ATOM 499 CA LEU A 35 -11.628 0.157 0.825 1.00 0.00 C ATOM 500 C LEU A 35 -12.568 0.211 2.026 1.00 0.00 C ATOM 501 O LEU A 35 -13.676 0.740 1.936 1.00 0.00 O ATOM 502 CB LEU A 35 -11.510 -1.282 0.321 1.00 0.00 C ATOM 503 CG LEU A 35 -10.415 -1.542 -0.715 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.285 -3.032 -0.992 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.708 -0.783 -2.001 1.00 0.00 C ATOM 0 H LEU A 35 -9.755 0.065 1.763 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.043 0.780 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.334 -1.933 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.467 -1.575 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.468 -1.184 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.501 -3.198 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.029 -3.553 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.231 -3.415 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.919 -0.979 -2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.665 -1.111 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.750 0.286 -1.791 1.00 0.00 H new ATOM 517 N SER A 36 -12.117 -0.338 3.149 1.00 0.00 N ATOM 518 CA SER A 36 -12.918 -0.354 4.367 1.00 0.00 C ATOM 519 C SER A 36 -12.026 -0.322 5.605 1.00 0.00 C ATOM 520 O SER A 36 -10.804 -0.435 5.506 1.00 0.00 O ATOM 521 CB SER A 36 -13.811 -1.595 4.400 1.00 0.00 C ATOM 522 OG SER A 36 -14.988 -1.357 5.152 1.00 0.00 O ATOM 0 H SER A 36 -11.201 -0.778 3.241 1.00 0.00 H new ATOM 0 HA SER A 36 -13.546 0.537 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.078 -1.882 3.383 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.262 -2.431 4.833 1.00 0.00 H new ATOM 0 HG SER A 36 -15.542 -2.165 5.156 1.00 0.00 H new ATOM 528 N HIS A 37 -12.646 -0.168 6.770 1.00 0.00 N ATOM 529 CA HIS A 37 -11.910 -0.123 8.028 1.00 0.00 C ATOM 530 C HIS A 37 -12.671 -0.852 9.131 1.00 0.00 C ATOM 531 O HIS A 37 -13.733 -0.404 9.566 1.00 0.00 O ATOM 532 CB HIS A 37 -11.654 1.327 8.442 1.00 0.00 C ATOM 533 CG HIS A 37 -11.467 1.505 9.917 1.00 0.00 C ATOM 534 ND1 HIS A 37 -10.602 0.734 10.664 1.00 0.00 N ATOM 535 CD2 HIS A 37 -12.039 2.374 10.783 1.00 0.00 C ATOM 536 CE1 HIS A 37 -10.651 1.120 11.927 1.00 0.00 C ATOM 537 NE2 HIS A 37 -11.515 2.114 12.026 1.00 0.00 N ATOM 0 H HIS A 37 -13.657 -0.072 6.869 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.954 -0.625 7.878 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.767 1.692 7.925 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.491 1.943 8.113 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -10.016 -0.017 10.299 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.771 3.131 10.542 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.081 0.695 12.740 1.00 0.00 H new ATOM 546 N ASP A 38 -12.123 -1.977 9.577 1.00 0.00 N ATOM 547 CA ASP A 38 -12.751 -2.768 10.629 1.00 0.00 C ATOM 548 C ASP A 38 -12.266 -2.324 12.006 1.00 0.00 C ATOM 549 O ASP A 38 -11.069 -2.351 12.291 1.00 0.00 O ATOM 550 CB ASP A 38 -12.454 -4.254 10.425 1.00 0.00 C ATOM 551 CG ASP A 38 -13.224 -4.844 9.259 1.00 0.00 C ATOM 552 OD1 ASP A 38 -13.235 -4.218 8.179 1.00 0.00 O ATOM 553 OD2 ASP A 38 -13.816 -5.931 9.428 1.00 0.00 O ATOM 0 H ASP A 38 -11.246 -2.362 9.227 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.828 -2.610 10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.386 -4.388 10.256 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.704 -4.800 11.335 1.00 0.00 H new ATOM 558 N SER A 39 -13.204 -1.915 12.854 1.00 0.00 N ATOM 559 CA SER A 39 -12.872 -1.460 14.199 1.00 0.00 C ATOM 560 C SER A 39 -12.649 -2.646 15.134 1.00 0.00 C ATOM 561 O SER A 39 -11.810 -2.593 16.034 1.00 0.00 O ATOM 562 CB SER A 39 -13.985 -0.566 14.748 1.00 0.00 C ATOM 563 OG SER A 39 -13.494 0.300 15.756 1.00 0.00 O ATOM 0 H SER A 39 -14.200 -1.889 12.634 1.00 0.00 H new ATOM 0 HA SER A 39 -11.948 -0.884 14.143 1.00 0.00 H new ATOM 0 HB2 SER A 39 -14.416 0.022 13.938 1.00 0.00 H new ATOM 0 HB3 SER A 39 -14.785 -1.185 15.154 1.00 0.00 H new ATOM 0 HG SER A 39 -14.225 0.862 16.089 1.00 0.00 H new ATOM 569 N THR A 40 -13.406 -3.715 14.914 1.00 0.00 N ATOM 570 CA THR A 40 -13.294 -4.914 15.735 1.00 0.00 C ATOM 571 C THR A 40 -11.834 -5.253 16.016 1.00 0.00 C ATOM 572 O THR A 40 -11.432 -5.401 17.170 1.00 0.00 O ATOM 573 CB THR A 40 -13.969 -6.123 15.061 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.339 -5.820 14.772 1.00 0.00 O ATOM 575 CG2 THR A 40 -13.894 -7.352 15.953 1.00 0.00 C ATOM 0 H THR A 40 -14.104 -3.775 14.173 1.00 0.00 H new ATOM 0 HA THR A 40 -13.803 -4.701 16.675 1.00 0.00 H new ATOM 0 HB THR A 40 -13.440 -6.336 14.132 1.00 0.00 H new ATOM 0 HG1 THR A 40 -15.761 -6.593 14.342 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.377 -8.193 15.455 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.850 -7.597 16.148 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.401 -7.148 16.896 1.00 0.00 H new ATOM 583 N SER A 41 -11.045 -5.375 14.953 1.00 0.00 N ATOM 584 CA SER A 41 -9.630 -5.700 15.086 1.00 0.00 C ATOM 585 C SER A 41 -8.762 -4.618 14.449 1.00 0.00 C ATOM 586 O SER A 41 -7.619 -4.870 14.068 1.00 0.00 O ATOM 587 CB SER A 41 -9.333 -7.054 14.439 1.00 0.00 C ATOM 588 OG SER A 41 -9.892 -8.114 15.196 1.00 0.00 O ATOM 0 H SER A 41 -11.362 -5.254 13.991 1.00 0.00 H new ATOM 0 HA SER A 41 -9.393 -5.753 16.149 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.737 -7.073 13.427 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.255 -7.192 14.355 1.00 0.00 H new ATOM 0 HG SER A 41 -9.690 -8.969 14.761 1.00 0.00 H new ATOM 594 N GLN A 42 -9.315 -3.415 14.338 1.00 0.00 N ATOM 595 CA GLN A 42 -8.592 -2.295 13.747 1.00 0.00 C ATOM 596 C GLN A 42 -7.902 -2.714 12.453 1.00 0.00 C ATOM 597 O GLN A 42 -6.805 -2.247 12.142 1.00 0.00 O ATOM 598 CB GLN A 42 -7.560 -1.747 14.735 1.00 0.00 C ATOM 599 CG GLN A 42 -8.179 -1.077 15.951 1.00 0.00 C ATOM 600 CD GLN A 42 -8.707 0.311 15.647 1.00 0.00 C ATOM 601 OE1 GLN A 42 -8.088 1.075 14.907 1.00 0.00 O ATOM 602 NE2 GLN A 42 -9.859 0.644 16.218 1.00 0.00 N ATOM 0 H GLN A 42 -10.260 -3.191 14.649 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.314 -1.512 13.515 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.918 -2.563 15.067 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.922 -1.029 14.220 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.993 -1.697 16.328 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.434 -1.013 16.744 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.338 -0.021 16.825 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.264 1.565 16.050 1.00 0.00 H new ATOM 611 N LEU A 43 -8.550 -3.598 11.702 1.00 0.00 N ATOM 612 CA LEU A 43 -7.998 -4.081 10.441 1.00 0.00 C ATOM 613 C LEU A 43 -8.593 -3.321 9.260 1.00 0.00 C ATOM 614 O LEU A 43 -9.805 -3.338 9.045 1.00 0.00 O ATOM 615 CB LEU A 43 -8.266 -5.579 10.285 1.00 0.00 C ATOM 616 CG LEU A 43 -7.407 -6.508 11.144 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.950 -7.928 11.103 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.958 -6.475 10.678 1.00 0.00 C ATOM 0 H LEU A 43 -9.458 -3.995 11.944 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.922 -3.910 10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.314 -5.766 10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.120 -5.847 9.238 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.445 -6.157 12.175 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.326 -8.574 11.720 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.971 -7.938 11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.943 -8.291 10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.361 -7.142 11.300 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.902 -6.801 9.639 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.572 -5.459 10.761 1.00 0.00 H new ATOM 630 N TYR A 44 -7.732 -2.658 8.496 1.00 0.00 N ATOM 631 CA TYR A 44 -8.172 -1.892 7.336 1.00 0.00 C ATOM 632 C TYR A 44 -8.086 -2.731 6.065 1.00 0.00 C ATOM 633 O TYR A 44 -7.091 -3.414 5.823 1.00 0.00 O ATOM 634 CB TYR A 44 -7.326 -0.627 7.184 1.00 0.00 C ATOM 635 CG TYR A 44 -7.702 0.473 8.151 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.442 0.348 9.511 1.00 0.00 C ATOM 637 CD2 TYR A 44 -8.318 1.636 7.706 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.785 1.350 10.398 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.662 2.644 8.586 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.394 2.496 9.931 1.00 0.00 C ATOM 641 OH TYR A 44 -8.737 3.496 10.812 1.00 0.00 O ATOM 0 H TYR A 44 -6.725 -2.636 8.659 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.213 -1.608 7.493 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.276 -0.883 7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.426 -0.253 6.165 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.964 -0.547 9.880 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.532 1.754 6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.577 1.237 11.452 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.138 3.543 8.223 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.270 4.322 10.567 1.00 0.00 H new ATOM 651 N THR A 45 -9.137 -2.673 5.253 1.00 0.00 N ATOM 652 CA THR A 45 -9.183 -3.426 4.006 1.00 0.00 C ATOM 653 C THR A 45 -8.743 -2.565 2.828 1.00 0.00 C ATOM 654 O THR A 45 -9.481 -1.688 2.377 1.00 0.00 O ATOM 655 CB THR A 45 -10.597 -3.971 3.730 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.060 -4.724 4.857 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.606 -4.849 2.488 1.00 0.00 C ATOM 0 H THR A 45 -9.968 -2.112 5.437 1.00 0.00 H new ATOM 0 HA THR A 45 -8.495 -4.264 4.117 1.00 0.00 H new ATOM 0 HB THR A 45 -11.262 -3.124 3.561 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.960 -5.066 4.675 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.615 -5.222 2.314 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.281 -4.265 1.627 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.928 -5.690 2.632 1.00 0.00 H new ATOM 665 N VAL A 46 -7.537 -2.821 2.331 1.00 0.00 N ATOM 666 CA VAL A 46 -7.000 -2.071 1.202 1.00 0.00 C ATOM 667 C VAL A 46 -6.879 -2.952 -0.036 1.00 0.00 C ATOM 668 O VAL A 46 -6.852 -4.179 0.061 1.00 0.00 O ATOM 669 CB VAL A 46 -5.618 -1.474 1.532 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.723 -0.491 2.687 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.623 -2.580 1.850 1.00 0.00 C ATOM 0 H VAL A 46 -6.913 -3.542 2.693 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.699 -1.260 0.999 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.257 -0.932 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.737 -0.080 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.402 0.318 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.105 -1.005 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.652 -2.141 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.976 -3.151 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.527 -3.241 0.989 1.00 0.00 H new ATOM 681 N LYS A 47 -6.806 -2.318 -1.201 1.00 0.00 N ATOM 682 CA LYS A 47 -6.685 -3.042 -2.461 1.00 0.00 C ATOM 683 C LYS A 47 -5.362 -2.722 -3.149 1.00 0.00 C ATOM 684 O LYS A 47 -4.927 -1.570 -3.172 1.00 0.00 O ATOM 685 CB LYS A 47 -7.852 -2.693 -3.387 1.00 0.00 C ATOM 686 CG LYS A 47 -8.073 -3.707 -4.496 1.00 0.00 C ATOM 687 CD LYS A 47 -9.323 -3.390 -5.301 1.00 0.00 C ATOM 688 CE LYS A 47 -9.811 -4.605 -6.074 1.00 0.00 C ATOM 689 NZ LYS A 47 -11.197 -4.417 -6.585 1.00 0.00 N ATOM 0 H LYS A 47 -6.829 -1.303 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.710 -4.109 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.763 -2.611 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.672 -1.714 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.207 -3.719 -5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.159 -4.705 -4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.110 -3.043 -4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.113 -2.576 -5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.139 -4.798 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.778 -5.483 -5.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.493 -5.267 -7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.843 -4.258 -5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.224 -3.594 -7.221 1.00 0.00 H new ATOM 703 N TYR A 48 -4.729 -3.746 -3.709 1.00 0.00 N ATOM 704 CA TYR A 48 -3.455 -3.573 -4.397 1.00 0.00 C ATOM 705 C TYR A 48 -3.662 -3.452 -5.904 1.00 0.00 C ATOM 706 O TYR A 48 -4.748 -3.719 -6.417 1.00 0.00 O ATOM 707 CB TYR A 48 -2.523 -4.747 -4.092 1.00 0.00 C ATOM 708 CG TYR A 48 -2.015 -4.761 -2.668 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.754 -5.354 -1.652 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.796 -4.181 -2.338 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.294 -5.370 -0.349 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.327 -4.193 -1.039 1.00 0.00 C ATOM 713 CZ TYR A 48 -1.080 -4.788 -0.048 1.00 0.00 C ATOM 714 OH TYR A 48 -0.617 -4.801 1.248 1.00 0.00 O ATOM 0 H TYR A 48 -5.077 -4.705 -3.700 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.998 -2.652 -4.036 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.050 -5.680 -4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.672 -4.711 -4.772 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.705 -5.811 -1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.205 -3.713 -3.111 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.881 -5.835 0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.624 -3.739 -0.800 1.00 0.00 H new ATOM 0 HH TYR A 48 0.253 -4.351 1.289 1.00 0.00 H new ATOM 724 N LYS A 49 -2.610 -3.048 -6.608 1.00 0.00 N ATOM 725 CA LYS A 49 -2.672 -2.892 -8.057 1.00 0.00 C ATOM 726 C LYS A 49 -3.044 -4.210 -8.730 1.00 0.00 C ATOM 727 O LYS A 49 -3.740 -4.224 -9.745 1.00 0.00 O ATOM 728 CB LYS A 49 -1.329 -2.393 -8.595 1.00 0.00 C ATOM 729 CG LYS A 49 -0.156 -3.283 -8.222 1.00 0.00 C ATOM 730 CD LYS A 49 0.080 -4.361 -9.267 1.00 0.00 C ATOM 731 CE LYS A 49 0.960 -5.478 -8.727 1.00 0.00 C ATOM 732 NZ LYS A 49 2.396 -5.084 -8.691 1.00 0.00 N ATOM 0 H LYS A 49 -1.703 -2.822 -6.198 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.443 -2.157 -8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.387 -2.319 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.146 -1.387 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.743 -2.676 -8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.344 -3.748 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.877 -4.773 -9.588 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.549 -3.920 -10.147 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.632 -5.746 -7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.842 -6.366 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.963 -5.872 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.717 -4.853 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.512 -4.252 -8.078 1.00 0.00 H new ATOM 746 N ASP A 50 -2.577 -5.314 -8.157 1.00 0.00 N ATOM 747 CA ASP A 50 -2.862 -6.636 -8.701 1.00 0.00 C ATOM 748 C ASP A 50 -4.211 -7.148 -8.205 1.00 0.00 C ATOM 749 O ASP A 50 -4.398 -8.349 -8.011 1.00 0.00 O ATOM 750 CB ASP A 50 -1.756 -7.620 -8.314 1.00 0.00 C ATOM 751 CG ASP A 50 -1.680 -8.805 -9.257 1.00 0.00 C ATOM 752 OD1 ASP A 50 -1.646 -8.585 -10.486 1.00 0.00 O ATOM 753 OD2 ASP A 50 -1.654 -9.952 -8.765 1.00 0.00 O ATOM 0 H ASP A 50 -2.000 -5.319 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.901 -6.554 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.797 -7.101 -8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.930 -7.977 -7.299 1.00 0.00 H new ATOM 758 N GLY A 51 -5.149 -6.228 -7.999 1.00 0.00 N ATOM 759 CA GLY A 51 -6.468 -6.605 -7.526 1.00 0.00 C ATOM 760 C GLY A 51 -6.411 -7.575 -6.363 1.00 0.00 C ATOM 761 O GLY A 51 -6.891 -8.705 -6.461 1.00 0.00 O ATOM 0 H GLY A 51 -5.018 -5.228 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.011 -5.710 -7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.029 -7.056 -8.344 1.00 0.00 H new ATOM 765 N THR A 52 -5.820 -7.135 -5.256 1.00 0.00 N ATOM 766 CA THR A 52 -5.699 -7.973 -4.070 1.00 0.00 C ATOM 767 C THR A 52 -6.180 -7.237 -2.825 1.00 0.00 C ATOM 768 O THR A 52 -5.791 -6.096 -2.579 1.00 0.00 O ATOM 769 CB THR A 52 -4.244 -8.431 -3.851 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.703 -8.945 -5.073 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.169 -9.497 -2.769 1.00 0.00 C ATOM 0 H THR A 52 -5.418 -6.203 -5.157 1.00 0.00 H new ATOM 0 HA THR A 52 -6.327 -8.848 -4.237 1.00 0.00 H new ATOM 0 HB THR A 52 -3.660 -7.569 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.778 -9.232 -4.926 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.132 -9.804 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.554 -9.093 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.767 -10.359 -3.065 1.00 0.00 H new ATOM 779 N GLU A 53 -7.029 -7.897 -2.043 1.00 0.00 N ATOM 780 CA GLU A 53 -7.563 -7.303 -0.824 1.00 0.00 C ATOM 781 C GLU A 53 -6.962 -7.965 0.413 1.00 0.00 C ATOM 782 O GLU A 53 -6.896 -9.192 0.504 1.00 0.00 O ATOM 783 CB GLU A 53 -9.088 -7.431 -0.793 1.00 0.00 C ATOM 784 CG GLU A 53 -9.787 -6.643 -1.888 1.00 0.00 C ATOM 785 CD GLU A 53 -11.294 -6.809 -1.855 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.762 -7.900 -1.468 1.00 0.00 O ATOM 787 OE2 GLU A 53 -12.005 -5.848 -2.216 1.00 0.00 O ATOM 0 H GLU A 53 -7.361 -8.843 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.293 -6.247 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.358 -8.483 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.453 -7.092 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.539 -5.587 -1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.411 -6.965 -2.859 1.00 0.00 H new ATOM 794 N LEU A 54 -6.523 -7.145 1.361 1.00 0.00 N ATOM 795 CA LEU A 54 -5.926 -7.649 2.593 1.00 0.00 C ATOM 796 C LEU A 54 -6.338 -6.795 3.787 1.00 0.00 C ATOM 797 O LEU A 54 -6.934 -5.731 3.625 1.00 0.00 O ATOM 798 CB LEU A 54 -4.401 -7.674 2.470 1.00 0.00 C ATOM 799 CG LEU A 54 -3.835 -8.463 1.289 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.330 -8.273 1.193 1.00 0.00 C ATOM 801 CD2 LEU A 54 -4.182 -9.939 1.418 1.00 0.00 C ATOM 0 H LEU A 54 -6.569 -6.128 1.300 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.288 -8.664 2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.046 -6.646 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.989 -8.090 3.390 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.287 -8.083 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.945 -8.842 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.105 -7.216 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.860 -8.625 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.771 -10.485 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.759 -10.333 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.265 -10.058 1.436 1.00 0.00 H new ATOM 813 N GLU A 55 -6.013 -7.268 4.987 1.00 0.00 N ATOM 814 CA GLU A 55 -6.348 -6.545 6.208 1.00 0.00 C ATOM 815 C GLU A 55 -5.087 -6.085 6.932 1.00 0.00 C ATOM 816 O GLU A 55 -4.370 -6.890 7.528 1.00 0.00 O ATOM 817 CB GLU A 55 -7.187 -7.428 7.135 1.00 0.00 C ATOM 818 CG GLU A 55 -8.684 -7.311 6.897 1.00 0.00 C ATOM 819 CD GLU A 55 -9.478 -8.363 7.646 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.449 -9.539 7.226 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.127 -8.011 8.652 1.00 0.00 O ATOM 0 H GLU A 55 -5.519 -8.147 5.139 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.928 -5.665 5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.887 -8.467 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.970 -7.163 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.020 -6.321 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.886 -7.400 5.830 1.00 0.00 H new ATOM 828 N LEU A 56 -4.821 -4.784 6.875 1.00 0.00 N ATOM 829 CA LEU A 56 -3.645 -4.215 7.524 1.00 0.00 C ATOM 830 C LEU A 56 -4.048 -3.312 8.686 1.00 0.00 C ATOM 831 O LEU A 56 -4.949 -2.482 8.558 1.00 0.00 O ATOM 832 CB LEU A 56 -2.813 -3.424 6.513 1.00 0.00 C ATOM 833 CG LEU A 56 -2.506 -4.134 5.195 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.851 -3.176 4.212 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.615 -5.345 5.436 1.00 0.00 C ATOM 0 H LEU A 56 -5.404 -4.104 6.386 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.044 -5.035 7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.337 -2.495 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.869 -3.151 6.984 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.446 -4.479 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.640 -3.700 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.523 -2.341 4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.920 -2.800 4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.407 -5.838 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.678 -5.023 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.121 -6.042 6.104 1.00 0.00 H new ATOM 847 N LYS A 57 -3.374 -3.477 9.819 1.00 0.00 N ATOM 848 CA LYS A 57 -3.658 -2.675 11.003 1.00 0.00 C ATOM 849 C LYS A 57 -3.458 -1.191 10.716 1.00 0.00 C ATOM 850 O LYS A 57 -2.733 -0.821 9.793 1.00 0.00 O ATOM 851 CB LYS A 57 -2.760 -3.107 12.164 1.00 0.00 C ATOM 852 CG LYS A 57 -3.291 -4.306 12.931 1.00 0.00 C ATOM 853 CD LYS A 57 -4.246 -3.883 14.035 1.00 0.00 C ATOM 854 CE LYS A 57 -3.504 -3.587 15.329 1.00 0.00 C ATOM 855 NZ LYS A 57 -4.437 -3.436 16.480 1.00 0.00 N ATOM 0 H LYS A 57 -2.626 -4.160 9.942 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.700 -2.836 11.279 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.769 -3.344 11.777 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.642 -2.270 12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.803 -4.981 12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.458 -4.861 13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.799 -2.998 13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.978 -4.672 14.206 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.799 -4.392 15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.920 -2.674 15.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.893 -3.235 17.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.094 -2.651 16.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.976 -4.316 16.607 1.00 0.00 H new ATOM 869 N GLU A 58 -4.104 -0.346 11.513 1.00 0.00 N ATOM 870 CA GLU A 58 -3.995 1.098 11.344 1.00 0.00 C ATOM 871 C GLU A 58 -2.533 1.536 11.331 1.00 0.00 C ATOM 872 O GLU A 58 -2.170 2.506 10.667 1.00 0.00 O ATOM 873 CB GLU A 58 -4.745 1.824 12.462 1.00 0.00 C ATOM 874 CG GLU A 58 -4.868 3.322 12.241 1.00 0.00 C ATOM 875 CD GLU A 58 -5.214 4.073 13.512 1.00 0.00 C ATOM 876 OE1 GLU A 58 -4.561 3.822 14.546 1.00 0.00 O ATOM 877 OE2 GLU A 58 -6.137 4.913 13.471 1.00 0.00 O ATOM 0 H GLU A 58 -4.708 -0.636 12.282 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.444 1.360 10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.743 1.396 12.555 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.232 1.646 13.407 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.929 3.705 11.842 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.635 3.513 11.490 1.00 0.00 H new ATOM 884 N ASN A 59 -1.698 0.812 12.069 1.00 0.00 N ATOM 885 CA ASN A 59 -0.276 1.125 12.144 1.00 0.00 C ATOM 886 C ASN A 59 0.453 0.647 10.892 1.00 0.00 C ATOM 887 O ASN A 59 1.307 1.351 10.352 1.00 0.00 O ATOM 888 CB ASN A 59 0.345 0.481 13.386 1.00 0.00 C ATOM 889 CG ASN A 59 1.808 0.843 13.555 1.00 0.00 C ATOM 890 OD1 ASN A 59 2.675 -0.030 13.587 1.00 0.00 O ATOM 891 ND2 ASN A 59 2.088 2.137 13.663 1.00 0.00 N ATOM 0 H ASN A 59 -1.982 0.004 12.624 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.171 2.208 12.213 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.209 0.796 14.270 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.247 -0.602 13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.055 2.442 13.778 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.336 2.826 13.631 1.00 0.00 H new ATOM 898 N ASP A 60 0.110 -0.552 10.435 1.00 0.00 N ATOM 899 CA ASP A 60 0.730 -1.123 9.245 1.00 0.00 C ATOM 900 C ASP A 60 0.575 -0.188 8.050 1.00 0.00 C ATOM 901 O ASP A 60 1.423 -0.162 7.157 1.00 0.00 O ATOM 902 CB ASP A 60 0.111 -2.485 8.926 1.00 0.00 C ATOM 903 CG ASP A 60 0.524 -3.555 9.918 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.455 -3.292 11.137 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.917 -4.655 9.475 1.00 0.00 O ATOM 0 H ASP A 60 -0.594 -1.148 10.871 1.00 0.00 H new ATOM 0 HA ASP A 60 1.793 -1.253 9.446 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.975 -2.396 8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.408 -2.790 7.922 1.00 0.00 H new ATOM 910 N ILE A 61 -0.511 0.576 8.040 1.00 0.00 N ATOM 911 CA ILE A 61 -0.776 1.512 6.954 1.00 0.00 C ATOM 912 C ILE A 61 -0.147 2.873 7.235 1.00 0.00 C ATOM 913 O ILE A 61 -0.247 3.398 8.344 1.00 0.00 O ATOM 914 CB ILE A 61 -2.288 1.696 6.725 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.948 0.348 6.428 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.536 2.675 5.588 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.457 0.418 6.352 1.00 0.00 C ATOM 0 H ILE A 61 -1.222 0.566 8.771 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.330 1.086 6.055 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.731 2.104 7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.562 -0.036 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.664 -0.365 7.202 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.609 2.794 5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.095 3.640 5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.082 2.293 4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.857 -0.573 6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.853 0.772 7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.750 1.106 5.559 1.00 0.00 H new ATOM 929 N LYS A 62 0.501 3.439 6.223 1.00 0.00 N ATOM 930 CA LYS A 62 1.144 4.741 6.359 1.00 0.00 C ATOM 931 C LYS A 62 0.909 5.596 5.118 1.00 0.00 C ATOM 932 O LYS A 62 0.726 5.074 4.018 1.00 0.00 O ATOM 933 CB LYS A 62 2.646 4.568 6.594 1.00 0.00 C ATOM 934 CG LYS A 62 2.982 3.890 7.911 1.00 0.00 C ATOM 935 CD LYS A 62 4.321 4.359 8.455 1.00 0.00 C ATOM 936 CE LYS A 62 5.480 3.773 7.663 1.00 0.00 C ATOM 937 NZ LYS A 62 6.781 4.390 8.045 1.00 0.00 N ATOM 0 H LYS A 62 0.595 3.017 5.299 1.00 0.00 H new ATOM 0 HA LYS A 62 0.703 5.248 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.068 3.984 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.125 5.547 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.199 4.100 8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.004 2.809 7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.368 5.447 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.411 4.070 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.526 2.697 7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.305 3.924 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.546 3.964 7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.747 5.413 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.960 4.224 9.056 1.00 0.00 H new ATOM 951 N SER A 63 0.915 6.913 5.302 1.00 0.00 N ATOM 952 CA SER A 63 0.699 7.840 4.198 1.00 0.00 C ATOM 953 C SER A 63 1.862 8.821 4.078 1.00 0.00 C ATOM 954 O SER A 63 2.660 8.971 5.002 1.00 0.00 O ATOM 955 CB SER A 63 -0.611 8.605 4.395 1.00 0.00 C ATOM 956 OG SER A 63 -0.547 9.439 5.540 1.00 0.00 O ATOM 0 H SER A 63 1.067 7.361 6.205 1.00 0.00 H new ATOM 0 HA SER A 63 0.638 7.261 3.276 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.819 9.209 3.512 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.435 7.900 4.500 1.00 0.00 H new ATOM 0 HG SER A 63 -1.395 9.918 5.643 1.00 0.00 H new ATOM 962 N GLY A 64 1.949 9.488 2.931 1.00 0.00 N ATOM 963 CA GLY A 64 3.016 10.446 2.709 1.00 0.00 C ATOM 964 C GLY A 64 2.494 11.820 2.339 1.00 0.00 C ATOM 965 O GLY A 64 1.347 12.168 2.619 1.00 0.00 O ATOM 0 H GLY A 64 1.299 9.382 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.625 10.523 3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.667 10.082 1.914 1.00 0.00 H new ATOM 969 N PRO A 65 3.349 12.628 1.694 1.00 0.00 N ATOM 970 CA PRO A 65 2.990 13.985 1.272 1.00 0.00 C ATOM 971 C PRO A 65 1.975 13.989 0.133 1.00 0.00 C ATOM 972 O PRO A 65 2.082 13.203 -0.808 1.00 0.00 O ATOM 973 CB PRO A 65 4.322 14.575 0.803 1.00 0.00 C ATOM 974 CG PRO A 65 5.140 13.395 0.406 1.00 0.00 C ATOM 975 CD PRO A 65 4.732 12.279 1.328 1.00 0.00 C ATOM 0 HA PRO A 65 2.517 14.550 2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.180 15.258 -0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.806 15.142 1.598 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.959 13.127 -0.635 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.205 13.609 0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.784 11.309 0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.378 12.225 2.204 1.00 0.00 H new ATOM 983 N SER A 66 0.992 14.878 0.226 1.00 0.00 N ATOM 984 CA SER A 66 -0.044 14.981 -0.795 1.00 0.00 C ATOM 985 C SER A 66 0.493 15.671 -2.046 1.00 0.00 C ATOM 986 O SER A 66 1.287 16.607 -1.959 1.00 0.00 O ATOM 987 CB SER A 66 -1.250 15.750 -0.253 1.00 0.00 C ATOM 988 OG SER A 66 -0.886 17.063 0.134 1.00 0.00 O ATOM 0 H SER A 66 0.891 15.537 0.998 1.00 0.00 H new ATOM 0 HA SER A 66 -0.357 13.972 -1.063 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.029 15.795 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.670 15.219 0.601 1.00 0.00 H new ATOM 0 HG SER A 66 -1.675 17.534 0.475 1.00 0.00 H new ATOM 994 N SER A 67 0.053 15.200 -3.209 1.00 0.00 N ATOM 995 CA SER A 67 0.491 15.768 -4.478 1.00 0.00 C ATOM 996 C SER A 67 -0.681 15.905 -5.446 1.00 0.00 C ATOM 997 O SER A 67 -1.520 15.011 -5.551 1.00 0.00 O ATOM 998 CB SER A 67 1.583 14.896 -5.101 1.00 0.00 C ATOM 999 OG SER A 67 1.114 13.579 -5.332 1.00 0.00 O ATOM 0 H SER A 67 -0.606 14.427 -3.298 1.00 0.00 H new ATOM 0 HA SER A 67 0.896 16.761 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.913 15.338 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.450 14.866 -4.441 1.00 0.00 H new ATOM 0 HG SER A 67 1.830 13.042 -5.732 1.00 0.00 H new ATOM 1005 N GLY A 68 -0.730 17.031 -6.151 1.00 0.00 N ATOM 1006 CA GLY A 68 -1.802 17.265 -7.101 1.00 0.00 C ATOM 1007 C GLY A 68 -2.153 18.734 -7.228 1.00 0.00 C ATOM 1008 O GLY A 68 -2.994 19.110 -8.045 1.00 0.00 O ATOM 0 H GLY A 68 -0.047 17.785 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.509 16.879 -8.077 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.686 16.709 -6.791 1.00 0.00 H new TER 1012 GLY A 68