USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=25 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 26 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 30 TYR OH : rot 15:sc= -0.0928 USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.073 (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 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -46:sc= 1.08 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0184 USER MOD Single : A 37 HIS : no HE2:sc= -4.33! C(o=-4.3!,f=-2.6!) 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= -1.42! C(o=-1.4!,f=-1.3!) USER MOD Single : A 44 TYR OH : rot 130:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -3.25 (180deg=-4.54!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 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+ -117:sc= 0 (180deg=-0.18) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -110:sc= -0.649 (180deg=-2.61!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0104 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 -4.747 19.724 18.169 1.00 0.00 N ATOM 2 CA GLY A 1 -4.031 19.015 17.125 1.00 0.00 C ATOM 3 C GLY A 1 -3.045 19.904 16.393 1.00 0.00 C ATOM 4 O GLY A 1 -2.651 20.955 16.899 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.786 19.135 19.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.255 20.615 18.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.714 19.932 17.847 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.499 18.170 17.563 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.746 18.606 16.411 1.00 0.00 H new ATOM 8 N SER A 2 -2.642 19.480 15.199 1.00 0.00 N ATOM 9 CA SER A 2 -1.692 20.242 14.398 1.00 0.00 C ATOM 10 C SER A 2 -1.696 19.765 12.949 1.00 0.00 C ATOM 11 O SER A 2 -1.362 18.615 12.662 1.00 0.00 O ATOM 12 CB SER A 2 -0.284 20.117 14.984 1.00 0.00 C ATOM 13 OG SER A 2 0.570 21.130 14.480 1.00 0.00 O ATOM 0 H SER A 2 -2.959 18.613 14.766 1.00 0.00 H new ATOM 0 HA SER A 2 -1.995 21.289 14.418 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.332 20.185 16.071 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.128 19.137 14.743 1.00 0.00 H new ATOM 0 HG SER A 2 1.463 21.029 14.871 1.00 0.00 H new ATOM 19 N SER A 3 -2.077 20.656 12.040 1.00 0.00 N ATOM 20 CA SER A 3 -2.129 20.326 10.620 1.00 0.00 C ATOM 21 C SER A 3 -2.929 19.048 10.389 1.00 0.00 C ATOM 22 O SER A 3 -2.547 18.201 9.582 1.00 0.00 O ATOM 23 CB SER A 3 -0.714 20.164 10.060 1.00 0.00 C ATOM 24 OG SER A 3 0.029 21.363 10.198 1.00 0.00 O ATOM 0 H SER A 3 -2.354 21.612 12.261 1.00 0.00 H new ATOM 0 HA SER A 3 -2.626 21.145 10.100 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.204 19.354 10.581 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.766 19.883 9.008 1.00 0.00 H new ATOM 0 HG SER A 3 0.930 21.233 9.835 1.00 0.00 H new ATOM 30 N GLY A 4 -4.042 18.916 11.104 1.00 0.00 N ATOM 31 CA GLY A 4 -4.879 17.739 10.963 1.00 0.00 C ATOM 32 C GLY A 4 -5.498 17.308 12.278 1.00 0.00 C ATOM 33 O GLY A 4 -4.806 16.802 13.161 1.00 0.00 O ATOM 0 H GLY A 4 -4.379 19.603 11.778 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.670 17.944 10.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.284 16.920 10.559 1.00 0.00 H new ATOM 37 N SER A 5 -6.806 17.509 12.409 1.00 0.00 N ATOM 38 CA SER A 5 -7.517 17.142 13.627 1.00 0.00 C ATOM 39 C SER A 5 -8.785 16.358 13.301 1.00 0.00 C ATOM 40 O SER A 5 -9.461 16.634 12.310 1.00 0.00 O ATOM 41 CB SER A 5 -7.872 18.393 14.433 1.00 0.00 C ATOM 42 OG SER A 5 -8.492 18.051 15.660 1.00 0.00 O ATOM 0 H SER A 5 -7.394 17.924 11.686 1.00 0.00 H new ATOM 0 HA SER A 5 -6.861 16.508 14.223 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.969 18.972 14.627 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.539 19.028 13.850 1.00 0.00 H new ATOM 0 HG SER A 5 -8.707 18.868 16.157 1.00 0.00 H new ATOM 48 N SER A 6 -9.100 15.378 14.143 1.00 0.00 N ATOM 49 CA SER A 6 -10.284 14.550 13.943 1.00 0.00 C ATOM 50 C SER A 6 -11.487 15.406 13.558 1.00 0.00 C ATOM 51 O SER A 6 -12.076 16.083 14.400 1.00 0.00 O ATOM 52 CB SER A 6 -10.595 13.754 15.212 1.00 0.00 C ATOM 53 OG SER A 6 -9.531 12.876 15.536 1.00 0.00 O ATOM 0 H SER A 6 -8.552 15.138 14.969 1.00 0.00 H new ATOM 0 HA SER A 6 -10.079 13.856 13.128 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.771 14.439 16.041 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.512 13.182 15.071 1.00 0.00 H new ATOM 0 HG SER A 6 -9.753 12.380 16.352 1.00 0.00 H new ATOM 59 N GLY A 7 -11.845 15.370 12.278 1.00 0.00 N ATOM 60 CA GLY A 7 -12.976 16.146 11.803 1.00 0.00 C ATOM 61 C GLY A 7 -14.129 15.273 11.350 1.00 0.00 C ATOM 62 O GLY A 7 -15.255 15.425 11.823 1.00 0.00 O ATOM 0 H GLY A 7 -11.373 14.818 11.562 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.317 16.809 12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.656 16.779 10.975 1.00 0.00 H new ATOM 66 N MET A 8 -13.849 14.356 10.429 1.00 0.00 N ATOM 67 CA MET A 8 -14.873 13.456 9.912 1.00 0.00 C ATOM 68 C MET A 8 -14.752 12.074 10.547 1.00 0.00 C ATOM 69 O MET A 8 -13.703 11.692 11.065 1.00 0.00 O ATOM 70 CB MET A 8 -14.761 13.342 8.390 1.00 0.00 C ATOM 71 CG MET A 8 -15.586 14.376 7.641 1.00 0.00 C ATOM 72 SD MET A 8 -14.908 16.041 7.784 1.00 0.00 S ATOM 73 CE MET A 8 -16.338 16.938 8.383 1.00 0.00 C ATOM 0 H MET A 8 -12.922 14.217 10.026 1.00 0.00 H new ATOM 0 HA MET A 8 -15.848 13.870 10.167 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.715 13.446 8.102 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.078 12.345 8.084 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.640 14.099 6.588 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.606 14.369 8.025 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.077 17.987 8.522 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.148 16.858 7.658 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.660 16.515 9.335 1.00 0.00 H new ATOM 83 N PRO A 9 -15.851 11.306 10.507 1.00 0.00 N ATOM 84 CA PRO A 9 -15.893 9.954 11.073 1.00 0.00 C ATOM 85 C PRO A 9 -15.053 8.964 10.274 1.00 0.00 C ATOM 86 O PRO A 9 -14.572 7.967 10.813 1.00 0.00 O ATOM 87 CB PRO A 9 -17.376 9.582 10.994 1.00 0.00 C ATOM 88 CG PRO A 9 -17.915 10.410 9.879 1.00 0.00 C ATOM 89 CD PRO A 9 -17.137 11.696 9.905 1.00 0.00 C ATOM 0 HA PRO A 9 -15.484 9.923 12.083 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -17.507 8.518 10.796 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -17.889 9.798 11.931 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -17.796 9.901 8.922 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -18.981 10.596 10.011 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -17.004 12.105 8.904 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.642 12.459 10.497 1.00 0.00 H new ATOM 97 N SER A 10 -14.879 9.246 8.987 1.00 0.00 N ATOM 98 CA SER A 10 -14.098 8.378 8.113 1.00 0.00 C ATOM 99 C SER A 10 -12.797 7.955 8.788 1.00 0.00 C ATOM 100 O SER A 10 -12.100 8.775 9.386 1.00 0.00 O ATOM 101 CB SER A 10 -13.794 9.089 6.793 1.00 0.00 C ATOM 102 OG SER A 10 -14.988 9.458 6.125 1.00 0.00 O ATOM 0 H SER A 10 -15.268 10.069 8.526 1.00 0.00 H new ATOM 0 HA SER A 10 -14.687 7.484 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.192 9.977 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.202 8.435 6.152 1.00 0.00 H new ATOM 0 HG SER A 10 -14.766 9.912 5.285 1.00 0.00 H new ATOM 108 N ARG A 11 -12.477 6.669 8.688 1.00 0.00 N ATOM 109 CA ARG A 11 -11.261 6.136 9.290 1.00 0.00 C ATOM 110 C ARG A 11 -10.078 7.068 9.043 1.00 0.00 C ATOM 111 O ARG A 11 -10.154 7.982 8.222 1.00 0.00 O ATOM 112 CB ARG A 11 -10.955 4.747 8.727 1.00 0.00 C ATOM 113 CG ARG A 11 -10.578 4.756 7.254 1.00 0.00 C ATOM 114 CD ARG A 11 -11.810 4.760 6.364 1.00 0.00 C ATOM 115 NE ARG A 11 -12.726 3.671 6.692 1.00 0.00 N ATOM 116 CZ ARG A 11 -14.027 3.699 6.424 1.00 0.00 C ATOM 117 NH1 ARG A 11 -14.562 4.755 5.826 1.00 0.00 N ATOM 118 NH2 ARG A 11 -14.796 2.669 6.753 1.00 0.00 N ATOM 0 H ARG A 11 -13.043 5.977 8.196 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.422 6.058 10.365 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.140 4.304 9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.827 4.108 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.969 5.634 7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.968 3.882 7.028 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.329 5.713 6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.504 4.675 5.321 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.346 2.844 7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.974 5.549 5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.561 4.774 5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.388 1.854 7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.795 2.692 6.547 1.00 0.00 H new ATOM 132 N LYS A 12 -8.985 6.831 9.760 1.00 0.00 N ATOM 133 CA LYS A 12 -7.785 7.648 9.620 1.00 0.00 C ATOM 134 C LYS A 12 -7.465 7.896 8.150 1.00 0.00 C ATOM 135 O LYS A 12 -6.907 8.934 7.792 1.00 0.00 O ATOM 136 CB LYS A 12 -6.598 6.968 10.305 1.00 0.00 C ATOM 137 CG LYS A 12 -5.475 7.925 10.667 1.00 0.00 C ATOM 138 CD LYS A 12 -4.187 7.181 10.977 1.00 0.00 C ATOM 139 CE LYS A 12 -3.031 8.141 11.210 1.00 0.00 C ATOM 140 NZ LYS A 12 -2.326 8.480 9.943 1.00 0.00 N ATOM 0 H LYS A 12 -8.905 6.079 10.445 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.971 8.609 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.947 6.472 11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.205 6.192 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.307 8.618 9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.768 8.522 11.531 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.329 6.559 11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.945 6.512 10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.405 9.054 11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.325 7.695 11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.545 9.136 10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.946 7.612 9.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.993 8.929 9.284 1.00 0.00 H new ATOM 154 N PHE A 13 -7.821 6.937 7.301 1.00 0.00 N ATOM 155 CA PHE A 13 -7.571 7.052 5.869 1.00 0.00 C ATOM 156 C PHE A 13 -8.883 7.130 5.093 1.00 0.00 C ATOM 157 O PHE A 13 -9.590 6.134 4.946 1.00 0.00 O ATOM 158 CB PHE A 13 -6.745 5.862 5.377 1.00 0.00 C ATOM 159 CG PHE A 13 -5.497 5.626 6.179 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.383 6.430 6.004 1.00 0.00 C ATOM 161 CD2 PHE A 13 -5.439 4.600 7.109 1.00 0.00 C ATOM 162 CE1 PHE A 13 -3.233 6.215 6.740 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.292 4.380 7.848 1.00 0.00 C ATOM 164 CZ PHE A 13 -3.188 5.189 7.664 1.00 0.00 C ATOM 0 H PHE A 13 -8.283 6.072 7.580 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.011 7.971 5.696 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.362 4.964 5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.472 6.026 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.413 7.234 5.284 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.300 3.965 7.258 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.371 6.848 6.593 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.259 3.576 8.569 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.291 5.020 8.241 1.00 0.00 H new ATOM 174 N ALA A 14 -9.201 8.323 4.600 1.00 0.00 N ATOM 175 CA ALA A 14 -10.425 8.532 3.838 1.00 0.00 C ATOM 176 C ALA A 14 -10.638 7.415 2.822 1.00 0.00 C ATOM 177 O ALA A 14 -9.679 6.874 2.270 1.00 0.00 O ATOM 178 CB ALA A 14 -10.388 9.883 3.139 1.00 0.00 C ATOM 0 H ALA A 14 -8.628 9.159 4.715 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.263 8.518 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.309 10.025 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.292 10.675 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.536 9.918 2.460 1.00 0.00 H new ATOM 184 N ASP A 15 -11.899 7.074 2.579 1.00 0.00 N ATOM 185 CA ASP A 15 -12.237 6.021 1.629 1.00 0.00 C ATOM 186 C ASP A 15 -11.795 6.399 0.219 1.00 0.00 C ATOM 187 O ASP A 15 -12.052 7.509 -0.246 1.00 0.00 O ATOM 188 CB ASP A 15 -13.742 5.749 1.650 1.00 0.00 C ATOM 189 CG ASP A 15 -14.263 5.484 3.049 1.00 0.00 C ATOM 190 OD1 ASP A 15 -13.998 6.311 3.947 1.00 0.00 O ATOM 191 OD2 ASP A 15 -14.936 4.451 3.245 1.00 0.00 O ATOM 0 H ASP A 15 -12.704 7.512 3.027 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.708 5.115 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.269 6.604 1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.962 4.891 1.015 1.00 0.00 H new ATOM 196 N GLY A 16 -11.129 5.468 -0.457 1.00 0.00 N ATOM 197 CA GLY A 16 -10.661 5.724 -1.807 1.00 0.00 C ATOM 198 C GLY A 16 -9.285 6.360 -1.833 1.00 0.00 C ATOM 199 O GLY A 16 -8.625 6.383 -2.872 1.00 0.00 O ATOM 0 H GLY A 16 -10.905 4.541 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.635 4.787 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.370 6.377 -2.316 1.00 0.00 H new ATOM 203 N GLU A 17 -8.853 6.879 -0.688 1.00 0.00 N ATOM 204 CA GLU A 17 -7.548 7.521 -0.586 1.00 0.00 C ATOM 205 C GLU A 17 -6.428 6.525 -0.877 1.00 0.00 C ATOM 206 O GLU A 17 -6.479 5.373 -0.446 1.00 0.00 O ATOM 207 CB GLU A 17 -7.359 8.125 0.807 1.00 0.00 C ATOM 208 CG GLU A 17 -6.243 9.154 0.878 1.00 0.00 C ATOM 209 CD GLU A 17 -6.450 10.306 -0.085 1.00 0.00 C ATOM 210 OE1 GLU A 17 -7.587 10.816 -0.166 1.00 0.00 O ATOM 211 OE2 GLU A 17 -5.474 10.698 -0.758 1.00 0.00 O ATOM 0 H GLU A 17 -9.387 6.867 0.181 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.505 8.318 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.293 8.592 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.149 7.324 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.176 9.542 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.292 8.669 0.659 1.00 0.00 H new ATOM 218 N VAL A 18 -5.416 6.979 -1.610 1.00 0.00 N ATOM 219 CA VAL A 18 -4.283 6.130 -1.958 1.00 0.00 C ATOM 220 C VAL A 18 -3.135 6.314 -0.973 1.00 0.00 C ATOM 221 O VAL A 18 -2.484 7.359 -0.949 1.00 0.00 O ATOM 222 CB VAL A 18 -3.776 6.427 -3.382 1.00 0.00 C ATOM 223 CG1 VAL A 18 -2.632 5.493 -3.747 1.00 0.00 C ATOM 224 CG2 VAL A 18 -4.912 6.310 -4.387 1.00 0.00 C ATOM 0 H VAL A 18 -5.358 7.930 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.634 5.099 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.401 7.450 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.287 5.718 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.811 5.631 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.977 4.460 -3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.536 6.523 -5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.319 5.299 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.696 7.024 -4.135 1.00 0.00 H new ATOM 234 N VAL A 19 -2.891 5.291 -0.159 1.00 0.00 N ATOM 235 CA VAL A 19 -1.819 5.339 0.828 1.00 0.00 C ATOM 236 C VAL A 19 -0.908 4.122 0.710 1.00 0.00 C ATOM 237 O VAL A 19 -1.090 3.281 -0.170 1.00 0.00 O ATOM 238 CB VAL A 19 -2.380 5.410 2.261 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.157 6.702 2.468 1.00 0.00 C ATOM 240 CG2 VAL A 19 -3.255 4.200 2.551 1.00 0.00 C ATOM 0 H VAL A 19 -3.421 4.420 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.242 6.241 0.626 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.544 5.401 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.545 6.734 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.497 7.554 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.986 6.745 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.643 4.267 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.086 4.175 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.664 3.290 2.447 1.00 0.00 H new ATOM 250 N ARG A 20 0.071 4.035 1.604 1.00 0.00 N ATOM 251 CA ARG A 20 1.012 2.921 1.600 1.00 0.00 C ATOM 252 C ARG A 20 0.614 1.869 2.632 1.00 0.00 C ATOM 253 O ARG A 20 0.212 2.200 3.746 1.00 0.00 O ATOM 254 CB ARG A 20 2.429 3.421 1.886 1.00 0.00 C ATOM 255 CG ARG A 20 2.859 4.575 0.995 1.00 0.00 C ATOM 256 CD ARG A 20 3.531 4.077 -0.275 1.00 0.00 C ATOM 257 NE ARG A 20 4.948 3.791 -0.069 1.00 0.00 N ATOM 258 CZ ARG A 20 5.823 3.659 -1.060 1.00 0.00 C ATOM 259 NH1 ARG A 20 5.428 3.787 -2.319 1.00 0.00 N ATOM 260 NH2 ARG A 20 7.096 3.399 -0.793 1.00 0.00 N ATOM 0 H ARG A 20 0.234 4.722 2.340 1.00 0.00 H new ATOM 0 HA ARG A 20 0.989 2.462 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.491 3.735 2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.129 2.595 1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.990 5.179 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.545 5.222 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.026 3.176 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.423 4.826 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 20 5.285 3.687 0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.450 3.987 -2.529 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.102 3.685 -3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.404 3.300 0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.767 3.298 -1.555 1.00 0.00 H new ATOM 274 N GLY A 21 0.729 0.601 2.251 1.00 0.00 N ATOM 275 CA GLY A 21 0.376 -0.480 3.154 1.00 0.00 C ATOM 276 C GLY A 21 1.436 -1.563 3.203 1.00 0.00 C ATOM 277 O GLY A 21 1.819 -2.113 2.170 1.00 0.00 O ATOM 0 H GLY A 21 1.060 0.302 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.225 -0.078 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.572 -0.917 2.840 1.00 0.00 H new ATOM 281 N ARG A 22 1.911 -1.869 4.406 1.00 0.00 N ATOM 282 CA ARG A 22 2.934 -2.892 4.585 1.00 0.00 C ATOM 283 C ARG A 22 2.362 -4.284 4.334 1.00 0.00 C ATOM 284 O ARG A 22 1.582 -4.799 5.136 1.00 0.00 O ATOM 285 CB ARG A 22 3.520 -2.816 5.996 1.00 0.00 C ATOM 286 CG ARG A 22 4.627 -3.826 6.251 1.00 0.00 C ATOM 287 CD ARG A 22 5.058 -3.823 7.710 1.00 0.00 C ATOM 288 NE ARG A 22 5.968 -4.924 8.013 1.00 0.00 N ATOM 289 CZ ARG A 22 6.680 -5.002 9.132 1.00 0.00 C ATOM 290 NH1 ARG A 22 6.588 -4.047 10.048 1.00 0.00 N ATOM 291 NH2 ARG A 22 7.486 -6.036 9.336 1.00 0.00 N ATOM 0 H ARG A 22 1.604 -1.423 5.271 1.00 0.00 H new ATOM 0 HA ARG A 22 3.726 -2.708 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.910 -1.812 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.721 -2.974 6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.283 -4.822 5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.483 -3.597 5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.545 -2.876 7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.177 -3.894 8.348 1.00 0.00 H new ATOM 0 HE ARG A 22 6.062 -5.674 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.970 -3.251 9.894 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.136 -4.109 10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.559 -6.772 8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.032 -6.095 10.195 1.00 0.00 H new ATOM 305 N TRP A 23 2.754 -4.887 3.217 1.00 0.00 N ATOM 306 CA TRP A 23 2.279 -6.219 2.861 1.00 0.00 C ATOM 307 C TRP A 23 2.721 -7.249 3.895 1.00 0.00 C ATOM 308 O TRP A 23 3.843 -7.213 4.401 1.00 0.00 O ATOM 309 CB TRP A 23 2.796 -6.613 1.476 1.00 0.00 C ATOM 310 CG TRP A 23 2.269 -7.933 1.000 1.00 0.00 C ATOM 311 CD1 TRP A 23 2.630 -9.171 1.450 1.00 0.00 C ATOM 312 CD2 TRP A 23 1.288 -8.146 -0.021 1.00 0.00 C ATOM 313 NE1 TRP A 23 1.933 -10.140 0.771 1.00 0.00 N ATOM 314 CE2 TRP A 23 1.102 -9.538 -0.136 1.00 0.00 C ATOM 315 CE3 TRP A 23 0.547 -7.297 -0.848 1.00 0.00 C ATOM 316 CZ2 TRP A 23 0.208 -10.096 -1.045 1.00 0.00 C ATOM 317 CZ3 TRP A 23 -0.340 -7.853 -1.750 1.00 0.00 C ATOM 318 CH2 TRP A 23 -0.505 -9.241 -1.842 1.00 0.00 C ATOM 0 H TRP A 23 3.399 -4.475 2.543 1.00 0.00 H new ATOM 0 HA TRP A 23 1.189 -6.197 2.842 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.520 -5.840 0.759 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.885 -6.652 1.500 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.357 -9.360 2.226 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.020 -11.146 0.918 1.00 0.00 H new ATOM 0 HE3 TRP A 23 0.666 -6.225 -0.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 0.081 -11.166 -1.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -0.916 -7.206 -2.395 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.208 -9.645 -2.555 1.00 0.00 H new ATOM 329 N PRO A 24 1.821 -8.190 4.216 1.00 0.00 N ATOM 330 CA PRO A 24 2.097 -9.248 5.192 1.00 0.00 C ATOM 331 C PRO A 24 3.116 -10.260 4.678 1.00 0.00 C ATOM 332 O PRO A 24 2.810 -11.078 3.812 1.00 0.00 O ATOM 333 CB PRO A 24 0.733 -9.915 5.387 1.00 0.00 C ATOM 334 CG PRO A 24 -0.007 -9.641 4.124 1.00 0.00 C ATOM 335 CD PRO A 24 0.465 -8.293 3.652 1.00 0.00 C ATOM 0 HA PRO A 24 2.529 -8.852 6.111 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.837 -10.986 5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.210 -9.502 6.250 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.197 -10.409 3.378 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.084 -9.640 4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.476 -8.230 2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.182 -7.492 4.011 1.00 0.00 H new ATOM 343 N GLY A 25 4.329 -10.198 5.219 1.00 0.00 N ATOM 344 CA GLY A 25 5.375 -11.114 4.802 1.00 0.00 C ATOM 345 C GLY A 25 6.443 -10.434 3.968 1.00 0.00 C ATOM 346 O GLY A 25 7.628 -10.744 4.093 1.00 0.00 O ATOM 0 H GLY A 25 4.606 -9.530 5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.836 -11.560 5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.933 -11.928 4.227 1.00 0.00 H new ATOM 350 N SER A 26 6.023 -9.507 3.114 1.00 0.00 N ATOM 351 CA SER A 26 6.952 -8.786 2.252 1.00 0.00 C ATOM 352 C SER A 26 7.704 -7.716 3.038 1.00 0.00 C ATOM 353 O SER A 26 8.818 -7.334 2.679 1.00 0.00 O ATOM 354 CB SER A 26 6.203 -8.143 1.083 1.00 0.00 C ATOM 355 OG SER A 26 7.030 -8.050 -0.064 1.00 0.00 O ATOM 0 H SER A 26 5.046 -9.237 3.000 1.00 0.00 H new ATOM 0 HA SER A 26 7.675 -9.502 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.316 -8.731 0.848 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.860 -7.149 1.370 1.00 0.00 H new ATOM 0 HG SER A 26 6.527 -7.637 -0.797 1.00 0.00 H new ATOM 361 N SER A 27 7.086 -7.236 4.112 1.00 0.00 N ATOM 362 CA SER A 27 7.693 -6.208 4.949 1.00 0.00 C ATOM 363 C SER A 27 8.035 -4.970 4.125 1.00 0.00 C ATOM 364 O SER A 27 8.949 -4.217 4.463 1.00 0.00 O ATOM 365 CB SER A 27 8.955 -6.749 5.624 1.00 0.00 C ATOM 366 OG SER A 27 10.072 -6.671 4.755 1.00 0.00 O ATOM 0 H SER A 27 6.164 -7.543 4.423 1.00 0.00 H new ATOM 0 HA SER A 27 6.972 -5.926 5.716 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.157 -6.182 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.795 -7.785 5.924 1.00 0.00 H new ATOM 0 HG SER A 27 9.822 -7.010 3.870 1.00 0.00 H new ATOM 372 N LEU A 28 7.295 -4.766 3.041 1.00 0.00 N ATOM 373 CA LEU A 28 7.518 -3.619 2.167 1.00 0.00 C ATOM 374 C LEU A 28 6.217 -2.862 1.919 1.00 0.00 C ATOM 375 O LEU A 28 5.185 -3.462 1.617 1.00 0.00 O ATOM 376 CB LEU A 28 8.116 -4.077 0.835 1.00 0.00 C ATOM 377 CG LEU A 28 9.507 -4.709 0.906 1.00 0.00 C ATOM 378 CD1 LEU A 28 9.871 -5.350 -0.424 1.00 0.00 C ATOM 379 CD2 LEU A 28 10.546 -3.670 1.302 1.00 0.00 C ATOM 0 H LEU A 28 6.535 -5.380 2.746 1.00 0.00 H new ATOM 0 HA LEU A 28 8.219 -2.947 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.434 -4.797 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.163 -3.218 0.166 1.00 0.00 H new ATOM 0 HG LEU A 28 9.492 -5.487 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.864 -5.794 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.143 -6.124 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.867 -4.591 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.529 -4.138 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.559 -2.869 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.295 -3.258 2.279 1.00 0.00 H new ATOM 391 N TYR A 29 6.274 -1.541 2.046 1.00 0.00 N ATOM 392 CA TYR A 29 5.101 -0.702 1.837 1.00 0.00 C ATOM 393 C TYR A 29 4.859 -0.465 0.349 1.00 0.00 C ATOM 394 O TYR A 29 5.757 -0.035 -0.376 1.00 0.00 O ATOM 395 CB TYR A 29 5.271 0.637 2.557 1.00 0.00 C ATOM 396 CG TYR A 29 5.577 0.497 4.031 1.00 0.00 C ATOM 397 CD1 TYR A 29 6.887 0.400 4.482 1.00 0.00 C ATOM 398 CD2 TYR A 29 4.555 0.464 4.972 1.00 0.00 C ATOM 399 CE1 TYR A 29 7.171 0.271 5.828 1.00 0.00 C ATOM 400 CE2 TYR A 29 4.830 0.338 6.320 1.00 0.00 C ATOM 401 CZ TYR A 29 6.140 0.241 6.743 1.00 0.00 C ATOM 402 OH TYR A 29 6.419 0.114 8.084 1.00 0.00 O ATOM 0 H TYR A 29 7.121 -1.028 2.293 1.00 0.00 H new ATOM 0 HA TYR A 29 4.236 -1.221 2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.075 1.197 2.079 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.359 1.223 2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.697 0.426 3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.529 0.538 4.644 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.195 0.194 6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.024 0.316 7.039 1.00 0.00 H new ATOM 0 HH TYR A 29 5.582 0.111 8.593 1.00 0.00 H new ATOM 412 N TYR A 30 3.641 -0.748 -0.098 1.00 0.00 N ATOM 413 CA TYR A 30 3.280 -0.568 -1.499 1.00 0.00 C ATOM 414 C TYR A 30 2.037 0.307 -1.634 1.00 0.00 C ATOM 415 O TYR A 30 1.254 0.439 -0.694 1.00 0.00 O ATOM 416 CB TYR A 30 3.037 -1.924 -2.163 1.00 0.00 C ATOM 417 CG TYR A 30 4.276 -2.787 -2.250 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.382 -2.376 -2.985 1.00 0.00 C ATOM 419 CD2 TYR A 30 4.341 -4.012 -1.598 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.515 -3.161 -3.068 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.471 -4.802 -1.674 1.00 0.00 C ATOM 422 CZ TYR A 30 6.556 -4.373 -2.410 1.00 0.00 C ATOM 423 OH TYR A 30 7.683 -5.158 -2.490 1.00 0.00 O ATOM 0 H TYR A 30 2.887 -1.103 0.490 1.00 0.00 H new ATOM 0 HA TYR A 30 4.109 -0.069 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.270 -2.460 -1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.646 -1.762 -3.167 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.355 -1.427 -3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.493 -4.352 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 30 7.365 -2.828 -3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.505 -5.751 -1.160 1.00 0.00 H new ATOM 0 HH TYR A 30 8.429 -4.625 -2.837 1.00 0.00 H new ATOM 433 N GLU A 31 1.864 0.901 -2.810 1.00 0.00 N ATOM 434 CA GLU A 31 0.717 1.763 -3.068 1.00 0.00 C ATOM 435 C GLU A 31 -0.584 0.966 -3.022 1.00 0.00 C ATOM 436 O GLU A 31 -0.834 0.115 -3.875 1.00 0.00 O ATOM 437 CB GLU A 31 0.861 2.447 -4.430 1.00 0.00 C ATOM 438 CG GLU A 31 -0.316 3.338 -4.790 1.00 0.00 C ATOM 439 CD GLU A 31 -0.096 4.099 -6.083 1.00 0.00 C ATOM 440 OE1 GLU A 31 0.007 3.448 -7.144 1.00 0.00 O ATOM 441 OE2 GLU A 31 -0.027 5.345 -6.035 1.00 0.00 O ATOM 0 H GLU A 31 2.503 0.801 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 31 0.684 2.524 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.773 3.045 -4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.978 1.684 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.215 2.728 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.492 4.047 -3.981 1.00 0.00 H new ATOM 448 N VAL A 32 -1.409 1.249 -2.019 1.00 0.00 N ATOM 449 CA VAL A 32 -2.684 0.561 -1.860 1.00 0.00 C ATOM 450 C VAL A 32 -3.816 1.551 -1.610 1.00 0.00 C ATOM 451 O VAL A 32 -3.591 2.652 -1.109 1.00 0.00 O ATOM 452 CB VAL A 32 -2.635 -0.450 -0.699 1.00 0.00 C ATOM 453 CG1 VAL A 32 -1.608 -1.537 -0.979 1.00 0.00 C ATOM 454 CG2 VAL A 32 -2.329 0.259 0.612 1.00 0.00 C ATOM 0 H VAL A 32 -1.217 1.951 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.873 0.026 -2.791 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.613 -0.923 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.588 -2.242 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.876 -2.064 -1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.623 -1.085 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.298 -0.470 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.364 0.760 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.106 0.996 0.817 1.00 0.00 H new ATOM 464 N GLU A 33 -5.034 1.150 -1.963 1.00 0.00 N ATOM 465 CA GLU A 33 -6.201 2.004 -1.777 1.00 0.00 C ATOM 466 C GLU A 33 -7.025 1.545 -0.577 1.00 0.00 C ATOM 467 O GLU A 33 -7.039 0.362 -0.237 1.00 0.00 O ATOM 468 CB GLU A 33 -7.069 2.000 -3.037 1.00 0.00 C ATOM 469 CG GLU A 33 -8.516 2.388 -2.780 1.00 0.00 C ATOM 470 CD GLU A 33 -9.282 2.661 -4.060 1.00 0.00 C ATOM 471 OE1 GLU A 33 -8.680 3.213 -5.005 1.00 0.00 O ATOM 472 OE2 GLU A 33 -10.483 2.325 -4.117 1.00 0.00 O ATOM 0 H GLU A 33 -5.237 0.241 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.851 3.019 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.641 2.689 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.042 1.006 -3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.010 1.588 -2.228 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.544 3.276 -2.148 1.00 0.00 H new ATOM 479 N ILE A 34 -7.708 2.490 0.060 1.00 0.00 N ATOM 480 CA ILE A 34 -8.535 2.183 1.221 1.00 0.00 C ATOM 481 C ILE A 34 -9.959 1.832 0.805 1.00 0.00 C ATOM 482 O ILE A 34 -10.655 2.641 0.189 1.00 0.00 O ATOM 483 CB ILE A 34 -8.577 3.363 2.210 1.00 0.00 C ATOM 484 CG1 ILE A 34 -7.159 3.849 2.518 1.00 0.00 C ATOM 485 CG2 ILE A 34 -9.294 2.957 3.489 1.00 0.00 C ATOM 486 CD1 ILE A 34 -6.421 2.972 3.505 1.00 0.00 C ATOM 0 H ILE A 34 -7.705 3.474 -0.208 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.081 1.323 1.713 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.130 4.183 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.590 3.896 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.209 4.864 2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.315 3.801 4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.314 2.655 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.766 2.124 3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.423 3.376 3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.968 2.945 4.447 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.339 1.962 3.104 1.00 0.00 H new ATOM 498 N LEU A 35 -10.388 0.622 1.146 1.00 0.00 N ATOM 499 CA LEU A 35 -11.731 0.163 0.810 1.00 0.00 C ATOM 500 C LEU A 35 -12.673 0.318 1.999 1.00 0.00 C ATOM 501 O LEU A 35 -13.758 0.886 1.875 1.00 0.00 O ATOM 502 CB LEU A 35 -11.695 -1.299 0.361 1.00 0.00 C ATOM 503 CG LEU A 35 -10.664 -1.645 -0.714 1.00 0.00 C ATOM 504 CD1 LEU A 35 -10.690 -3.135 -1.018 1.00 0.00 C ATOM 505 CD2 LEU A 35 -10.918 -0.836 -1.978 1.00 0.00 C ATOM 0 H LEU A 35 -9.825 -0.059 1.655 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.104 0.779 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.503 -1.922 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.683 -1.568 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.674 -1.389 -0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.950 -3.363 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.458 -3.695 -0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.681 -3.416 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.175 -1.096 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.914 -1.060 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.847 0.227 -1.750 1.00 0.00 H new ATOM 517 N SER A 36 -12.250 -0.188 3.153 1.00 0.00 N ATOM 518 CA SER A 36 -13.056 -0.107 4.365 1.00 0.00 C ATOM 519 C SER A 36 -12.197 -0.335 5.606 1.00 0.00 C ATOM 520 O SER A 36 -11.036 -0.734 5.506 1.00 0.00 O ATOM 521 CB SER A 36 -14.188 -1.135 4.319 1.00 0.00 C ATOM 522 OG SER A 36 -13.677 -2.456 4.304 1.00 0.00 O ATOM 0 H SER A 36 -11.353 -0.659 3.274 1.00 0.00 H new ATOM 0 HA SER A 36 -13.485 0.894 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.838 -1.003 5.184 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.799 -0.968 3.432 1.00 0.00 H new ATOM 0 HG SER A 36 -14.420 -3.094 4.276 1.00 0.00 H new ATOM 528 N HIS A 37 -12.776 -0.078 6.774 1.00 0.00 N ATOM 529 CA HIS A 37 -12.065 -0.255 8.035 1.00 0.00 C ATOM 530 C HIS A 37 -12.888 -1.091 9.011 1.00 0.00 C ATOM 531 O HIS A 37 -14.073 -0.829 9.220 1.00 0.00 O ATOM 532 CB HIS A 37 -11.740 1.103 8.657 1.00 0.00 C ATOM 533 CG HIS A 37 -11.297 1.018 10.085 1.00 0.00 C ATOM 534 ND1 HIS A 37 -11.826 1.805 11.086 1.00 0.00 N ATOM 535 CD2 HIS A 37 -10.369 0.230 10.679 1.00 0.00 C ATOM 536 CE1 HIS A 37 -11.242 1.506 12.233 1.00 0.00 C ATOM 537 NE2 HIS A 37 -10.355 0.554 12.013 1.00 0.00 N ATOM 0 H HIS A 37 -13.735 0.253 6.874 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.134 -0.783 7.827 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.957 1.584 8.071 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.621 1.741 8.596 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.554 2.508 10.961 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.755 -0.514 10.194 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -11.454 1.963 13.188 1.00 0.00 H new ATOM 546 N ASP A 38 -12.254 -2.096 9.603 1.00 0.00 N ATOM 547 CA ASP A 38 -12.927 -2.970 10.556 1.00 0.00 C ATOM 548 C ASP A 38 -12.839 -2.403 11.970 1.00 0.00 C ATOM 549 O ASP A 38 -11.748 -2.230 12.513 1.00 0.00 O ATOM 550 CB ASP A 38 -12.316 -4.371 10.517 1.00 0.00 C ATOM 551 CG ASP A 38 -12.990 -5.269 9.498 1.00 0.00 C ATOM 552 OD1 ASP A 38 -14.230 -5.188 9.364 1.00 0.00 O ATOM 553 OD2 ASP A 38 -12.279 -6.051 8.834 1.00 0.00 O ATOM 0 H ASP A 38 -11.274 -2.326 9.440 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.978 -3.033 10.273 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.254 -4.295 10.283 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.393 -4.825 11.505 1.00 0.00 H new ATOM 558 N SER A 39 -13.995 -2.114 12.560 1.00 0.00 N ATOM 559 CA SER A 39 -14.048 -1.562 13.908 1.00 0.00 C ATOM 560 C SER A 39 -14.020 -2.674 14.952 1.00 0.00 C ATOM 561 O SER A 39 -14.706 -2.602 15.972 1.00 0.00 O ATOM 562 CB SER A 39 -15.308 -0.712 14.085 1.00 0.00 C ATOM 563 OG SER A 39 -16.477 -1.499 13.941 1.00 0.00 O ATOM 0 H SER A 39 -14.907 -2.253 12.125 1.00 0.00 H new ATOM 0 HA SER A 39 -13.170 -0.932 14.050 1.00 0.00 H new ATOM 0 HB2 SER A 39 -15.300 -0.244 15.069 1.00 0.00 H new ATOM 0 HB3 SER A 39 -15.314 0.092 13.350 1.00 0.00 H new ATOM 0 HG SER A 39 -17.269 -0.934 14.060 1.00 0.00 H new ATOM 569 N THR A 40 -13.221 -3.703 14.690 1.00 0.00 N ATOM 570 CA THR A 40 -13.103 -4.832 15.605 1.00 0.00 C ATOM 571 C THR A 40 -11.644 -5.117 15.941 1.00 0.00 C ATOM 572 O THR A 40 -11.235 -5.029 17.099 1.00 0.00 O ATOM 573 CB THR A 40 -13.740 -6.103 15.013 1.00 0.00 C ATOM 574 OG1 THR A 40 -15.138 -5.893 14.789 1.00 0.00 O ATOM 575 CG2 THR A 40 -13.544 -7.290 15.944 1.00 0.00 C ATOM 0 H THR A 40 -12.645 -3.778 13.851 1.00 0.00 H new ATOM 0 HA THR A 40 -13.635 -4.558 16.516 1.00 0.00 H new ATOM 0 HB THR A 40 -13.249 -6.320 14.064 1.00 0.00 H new ATOM 0 HG1 THR A 40 -15.534 -6.706 14.411 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.002 -8.176 15.505 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.478 -7.467 16.089 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.011 -7.079 16.906 1.00 0.00 H new ATOM 583 N SER A 41 -10.862 -5.458 14.922 1.00 0.00 N ATOM 584 CA SER A 41 -9.448 -5.760 15.111 1.00 0.00 C ATOM 585 C SER A 41 -8.575 -4.637 14.559 1.00 0.00 C ATOM 586 O SER A 41 -7.385 -4.828 14.310 1.00 0.00 O ATOM 587 CB SER A 41 -9.091 -7.082 14.428 1.00 0.00 C ATOM 588 OG SER A 41 -9.669 -8.181 15.111 1.00 0.00 O ATOM 0 H SER A 41 -11.184 -5.532 13.957 1.00 0.00 H new ATOM 0 HA SER A 41 -9.261 -5.850 16.181 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.440 -7.067 13.395 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.008 -7.198 14.397 1.00 0.00 H new ATOM 0 HG SER A 41 -9.428 -9.014 14.654 1.00 0.00 H new ATOM 594 N GLN A 42 -9.176 -3.467 14.370 1.00 0.00 N ATOM 595 CA GLN A 42 -8.454 -2.313 13.846 1.00 0.00 C ATOM 596 C GLN A 42 -7.724 -2.668 12.555 1.00 0.00 C ATOM 597 O GLN A 42 -6.579 -2.267 12.346 1.00 0.00 O ATOM 598 CB GLN A 42 -7.457 -1.795 14.884 1.00 0.00 C ATOM 599 CG GLN A 42 -8.113 -1.092 16.061 1.00 0.00 C ATOM 600 CD GLN A 42 -9.270 -1.881 16.641 1.00 0.00 C ATOM 601 OE1 GLN A 42 -9.079 -2.953 17.216 1.00 0.00 O ATOM 602 NE2 GLN A 42 -10.480 -1.354 16.493 1.00 0.00 N ATOM 0 H GLN A 42 -10.161 -3.293 14.572 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.180 -1.530 13.627 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.865 -2.631 15.255 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.766 -1.105 14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.368 -0.922 16.839 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.470 -0.113 15.742 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.593 -0.463 16.010 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.297 -1.840 16.863 1.00 0.00 H new ATOM 611 N LEU A 43 -8.394 -3.423 11.691 1.00 0.00 N ATOM 612 CA LEU A 43 -7.809 -3.833 10.419 1.00 0.00 C ATOM 613 C LEU A 43 -8.453 -3.083 9.257 1.00 0.00 C ATOM 614 O LEU A 43 -9.678 -3.007 9.157 1.00 0.00 O ATOM 615 CB LEU A 43 -7.974 -5.341 10.222 1.00 0.00 C ATOM 616 CG LEU A 43 -7.050 -6.231 11.054 1.00 0.00 C ATOM 617 CD1 LEU A 43 -7.585 -7.654 11.105 1.00 0.00 C ATOM 618 CD2 LEU A 43 -5.638 -6.210 10.489 1.00 0.00 C ATOM 0 H LEU A 43 -9.343 -3.764 11.848 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.747 -3.590 10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.006 -5.607 10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.814 -5.569 9.168 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.018 -5.839 12.071 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.915 -8.273 11.701 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.577 -7.654 11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.647 -8.056 10.094 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.995 -6.849 11.094 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.651 -6.576 9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.255 -5.190 10.505 1.00 0.00 H new ATOM 630 N TYR A 44 -7.620 -2.533 8.381 1.00 0.00 N ATOM 631 CA TYR A 44 -8.108 -1.789 7.226 1.00 0.00 C ATOM 632 C TYR A 44 -8.057 -2.646 5.965 1.00 0.00 C ATOM 633 O TYR A 44 -7.035 -3.261 5.658 1.00 0.00 O ATOM 634 CB TYR A 44 -7.281 -0.517 7.025 1.00 0.00 C ATOM 635 CG TYR A 44 -7.550 0.550 8.062 1.00 0.00 C ATOM 636 CD1 TYR A 44 -7.431 0.273 9.419 1.00 0.00 C ATOM 637 CD2 TYR A 44 -7.924 1.834 7.686 1.00 0.00 C ATOM 638 CE1 TYR A 44 -7.677 1.244 10.370 1.00 0.00 C ATOM 639 CE2 TYR A 44 -8.170 2.812 8.630 1.00 0.00 C ATOM 640 CZ TYR A 44 -8.045 2.512 9.971 1.00 0.00 C ATOM 641 OH TYR A 44 -8.290 3.483 10.915 1.00 0.00 O ATOM 0 H TYR A 44 -6.604 -2.588 8.449 1.00 0.00 H new ATOM 0 HA TYR A 44 -9.146 -1.514 7.415 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.222 -0.775 7.047 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.489 -0.111 6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.141 -0.718 9.735 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.024 2.072 6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.582 1.012 11.420 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.458 3.806 8.320 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.788 4.294 10.688 1.00 0.00 H new ATOM 651 N THR A 45 -9.168 -2.681 5.236 1.00 0.00 N ATOM 652 CA THR A 45 -9.253 -3.462 4.008 1.00 0.00 C ATOM 653 C THR A 45 -8.814 -2.640 2.802 1.00 0.00 C ATOM 654 O THR A 45 -9.560 -1.793 2.311 1.00 0.00 O ATOM 655 CB THR A 45 -10.684 -3.980 3.769 1.00 0.00 C ATOM 656 OG1 THR A 45 -11.132 -4.725 4.907 1.00 0.00 O ATOM 657 CG2 THR A 45 -10.741 -4.857 2.528 1.00 0.00 C ATOM 0 H THR A 45 -10.022 -2.177 5.475 1.00 0.00 H new ATOM 0 HA THR A 45 -8.582 -4.313 4.128 1.00 0.00 H new ATOM 0 HB THR A 45 -11.338 -3.121 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.043 -5.049 4.748 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.761 -5.211 2.379 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.427 -4.279 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.075 -5.711 2.655 1.00 0.00 H new ATOM 665 N VAL A 46 -7.599 -2.895 2.328 1.00 0.00 N ATOM 666 CA VAL A 46 -7.061 -2.180 1.177 1.00 0.00 C ATOM 667 C VAL A 46 -6.981 -3.086 -0.046 1.00 0.00 C ATOM 668 O VAL A 46 -7.017 -4.311 0.072 1.00 0.00 O ATOM 669 CB VAL A 46 -5.660 -1.612 1.473 1.00 0.00 C ATOM 670 CG1 VAL A 46 -5.712 -0.652 2.652 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.673 -2.739 1.736 1.00 0.00 C ATOM 0 H VAL A 46 -6.968 -3.592 2.724 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.744 -1.356 0.971 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.319 -1.058 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.714 -0.261 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.386 0.173 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.074 -1.179 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.689 -2.320 1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.007 -3.322 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.615 -3.384 0.859 1.00 0.00 H new ATOM 681 N LYS A 47 -6.872 -2.477 -1.222 1.00 0.00 N ATOM 682 CA LYS A 47 -6.785 -3.228 -2.468 1.00 0.00 C ATOM 683 C LYS A 47 -5.561 -2.805 -3.274 1.00 0.00 C ATOM 684 O LYS A 47 -5.323 -1.615 -3.483 1.00 0.00 O ATOM 685 CB LYS A 47 -8.052 -3.022 -3.301 1.00 0.00 C ATOM 686 CG LYS A 47 -8.135 -3.928 -4.517 1.00 0.00 C ATOM 687 CD LYS A 47 -9.564 -4.064 -5.016 1.00 0.00 C ATOM 688 CE LYS A 47 -9.609 -4.572 -6.449 1.00 0.00 C ATOM 689 NZ LYS A 47 -9.148 -5.984 -6.552 1.00 0.00 N ATOM 0 H LYS A 47 -6.842 -1.464 -1.338 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.688 -4.285 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.924 -3.195 -2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.096 -1.983 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.507 -3.528 -5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.741 -4.913 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.113 -4.748 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.065 -3.098 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.627 -4.494 -6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.984 -3.939 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.854 -6.183 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.343 -6.134 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.925 -6.623 -6.288 1.00 0.00 H new ATOM 703 N TYR A 48 -4.787 -3.787 -3.724 1.00 0.00 N ATOM 704 CA TYR A 48 -3.587 -3.516 -4.506 1.00 0.00 C ATOM 705 C TYR A 48 -3.910 -3.448 -5.996 1.00 0.00 C ATOM 706 O TYR A 48 -4.825 -4.118 -6.476 1.00 0.00 O ATOM 707 CB TYR A 48 -2.533 -4.595 -4.251 1.00 0.00 C ATOM 708 CG TYR A 48 -2.005 -4.601 -2.834 1.00 0.00 C ATOM 709 CD1 TYR A 48 -2.761 -5.125 -1.792 1.00 0.00 C ATOM 710 CD2 TYR A 48 -0.750 -4.083 -2.536 1.00 0.00 C ATOM 711 CE1 TYR A 48 -2.283 -5.133 -0.496 1.00 0.00 C ATOM 712 CE2 TYR A 48 -0.264 -4.088 -1.243 1.00 0.00 C ATOM 713 CZ TYR A 48 -1.034 -4.614 -0.227 1.00 0.00 C ATOM 714 OH TYR A 48 -0.553 -4.619 1.063 1.00 0.00 O ATOM 0 H TYR A 48 -4.969 -4.777 -3.560 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.192 -2.549 -4.194 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.963 -5.571 -4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.701 -4.448 -4.940 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.739 -5.533 -1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.145 -3.670 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.884 -5.543 0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.714 -3.682 -1.029 1.00 0.00 H new ATOM 0 HH TYR A 48 0.341 -4.218 1.080 1.00 0.00 H new ATOM 724 N LYS A 49 -3.152 -2.635 -6.723 1.00 0.00 N ATOM 725 CA LYS A 49 -3.354 -2.478 -8.158 1.00 0.00 C ATOM 726 C LYS A 49 -3.698 -3.815 -8.808 1.00 0.00 C ATOM 727 O LYS A 49 -4.740 -3.955 -9.447 1.00 0.00 O ATOM 728 CB LYS A 49 -2.101 -1.890 -8.809 1.00 0.00 C ATOM 729 CG LYS A 49 -2.361 -1.252 -10.163 1.00 0.00 C ATOM 730 CD LYS A 49 -1.069 -0.812 -10.830 1.00 0.00 C ATOM 731 CE LYS A 49 -1.318 -0.288 -12.236 1.00 0.00 C ATOM 732 NZ LYS A 49 -0.183 0.541 -12.728 1.00 0.00 N ATOM 0 H LYS A 49 -2.391 -2.074 -6.341 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.189 -1.794 -8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.671 -1.143 -8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.358 -2.679 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.880 -1.962 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.019 -0.392 -10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.595 -0.036 -10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.375 -1.652 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.475 -1.127 -12.914 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.232 0.305 -12.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.391 0.879 -13.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.049 1.356 -12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.685 -0.032 -12.743 1.00 0.00 H new ATOM 746 N ASP A 50 -2.816 -4.794 -8.638 1.00 0.00 N ATOM 747 CA ASP A 50 -3.027 -6.120 -9.206 1.00 0.00 C ATOM 748 C ASP A 50 -4.472 -6.569 -9.016 1.00 0.00 C ATOM 749 O ASP A 50 -5.061 -7.192 -9.898 1.00 0.00 O ATOM 750 CB ASP A 50 -2.077 -7.131 -8.562 1.00 0.00 C ATOM 751 CG ASP A 50 -0.656 -6.997 -9.073 1.00 0.00 C ATOM 752 OD1 ASP A 50 -0.479 -6.544 -10.223 1.00 0.00 O ATOM 753 OD2 ASP A 50 0.280 -7.346 -8.322 1.00 0.00 O ATOM 0 H ASP A 50 -1.948 -4.694 -8.111 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.819 -6.068 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.085 -6.995 -7.481 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.437 -8.141 -8.759 1.00 0.00 H new ATOM 758 N GLY A 51 -5.039 -6.248 -7.856 1.00 0.00 N ATOM 759 CA GLY A 51 -6.410 -6.627 -7.571 1.00 0.00 C ATOM 760 C GLY A 51 -6.519 -7.550 -6.373 1.00 0.00 C ATOM 761 O GLY A 51 -7.374 -8.436 -6.337 1.00 0.00 O ATOM 0 H GLY A 51 -4.573 -5.732 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.002 -5.730 -7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.837 -7.119 -8.445 1.00 0.00 H new ATOM 765 N THR A 52 -5.649 -7.346 -5.389 1.00 0.00 N ATOM 766 CA THR A 52 -5.649 -8.168 -4.186 1.00 0.00 C ATOM 767 C THR A 52 -6.115 -7.369 -2.974 1.00 0.00 C ATOM 768 O THR A 52 -5.742 -6.209 -2.804 1.00 0.00 O ATOM 769 CB THR A 52 -4.250 -8.745 -3.899 1.00 0.00 C ATOM 770 OG1 THR A 52 -3.757 -9.431 -5.056 1.00 0.00 O ATOM 771 CG2 THR A 52 -4.290 -9.699 -2.715 1.00 0.00 C ATOM 0 H THR A 52 -4.935 -6.618 -5.402 1.00 0.00 H new ATOM 0 HA THR A 52 -6.343 -8.989 -4.365 1.00 0.00 H new ATOM 0 HB THR A 52 -3.583 -7.918 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.866 -9.794 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.291 -10.094 -2.532 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.638 -9.166 -1.830 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.970 -10.522 -2.934 1.00 0.00 H new ATOM 779 N GLU A 53 -6.931 -7.998 -2.134 1.00 0.00 N ATOM 780 CA GLU A 53 -7.447 -7.344 -0.938 1.00 0.00 C ATOM 781 C GLU A 53 -6.862 -7.974 0.323 1.00 0.00 C ATOM 782 O GLU A 53 -6.816 -9.198 0.455 1.00 0.00 O ATOM 783 CB GLU A 53 -8.975 -7.429 -0.901 1.00 0.00 C ATOM 784 CG GLU A 53 -9.659 -6.533 -1.920 1.00 0.00 C ATOM 785 CD GLU A 53 -11.138 -6.835 -2.062 1.00 0.00 C ATOM 786 OE1 GLU A 53 -11.506 -8.028 -2.024 1.00 0.00 O ATOM 787 OE2 GLU A 53 -11.927 -5.879 -2.211 1.00 0.00 O ATOM 0 H GLU A 53 -7.249 -8.959 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.149 -6.296 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.277 -8.461 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.321 -7.161 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.531 -5.491 -1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -9.173 -6.653 -2.888 1.00 0.00 H new ATOM 794 N LEU A 54 -6.415 -7.131 1.246 1.00 0.00 N ATOM 795 CA LEU A 54 -5.831 -7.604 2.497 1.00 0.00 C ATOM 796 C LEU A 54 -6.277 -6.736 3.669 1.00 0.00 C ATOM 797 O LEU A 54 -6.916 -5.701 3.479 1.00 0.00 O ATOM 798 CB LEU A 54 -4.304 -7.606 2.401 1.00 0.00 C ATOM 799 CG LEU A 54 -3.706 -8.392 1.234 1.00 0.00 C ATOM 800 CD1 LEU A 54 -2.226 -8.076 1.081 1.00 0.00 C ATOM 801 CD2 LEU A 54 -3.917 -9.886 1.433 1.00 0.00 C ATOM 0 H LEU A 54 -6.445 -6.116 1.153 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.180 -8.622 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.963 -6.573 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.902 -8.011 3.330 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.217 -8.092 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.817 -8.644 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.099 -7.010 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.700 -8.347 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.485 -10.430 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.433 -10.202 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.985 -10.098 1.492 1.00 0.00 H new ATOM 813 N GLU A 55 -5.935 -7.163 4.880 1.00 0.00 N ATOM 814 CA GLU A 55 -6.299 -6.424 6.082 1.00 0.00 C ATOM 815 C GLU A 55 -5.055 -5.983 6.848 1.00 0.00 C ATOM 816 O GLU A 55 -4.385 -6.795 7.488 1.00 0.00 O ATOM 817 CB GLU A 55 -7.190 -7.280 6.984 1.00 0.00 C ATOM 818 CG GLU A 55 -8.673 -7.145 6.680 1.00 0.00 C ATOM 819 CD GLU A 55 -9.509 -8.204 7.373 1.00 0.00 C ATOM 820 OE1 GLU A 55 -9.044 -9.359 7.468 1.00 0.00 O ATOM 821 OE2 GLU A 55 -10.629 -7.876 7.819 1.00 0.00 O ATOM 0 H GLU A 55 -5.406 -8.017 5.054 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.851 -5.535 5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.900 -8.326 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.014 -7.002 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.015 -6.157 6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.827 -7.213 5.603 1.00 0.00 H new ATOM 828 N LEU A 56 -4.751 -4.692 6.778 1.00 0.00 N ATOM 829 CA LEU A 56 -3.587 -4.141 7.464 1.00 0.00 C ATOM 830 C LEU A 56 -4.012 -3.254 8.630 1.00 0.00 C ATOM 831 O LEU A 56 -4.865 -2.379 8.480 1.00 0.00 O ATOM 832 CB LEU A 56 -2.725 -3.341 6.486 1.00 0.00 C ATOM 833 CG LEU A 56 -2.381 -4.039 5.170 1.00 0.00 C ATOM 834 CD1 LEU A 56 -1.588 -3.109 4.265 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.604 -5.321 5.433 1.00 0.00 C ATOM 0 H LEU A 56 -5.294 -4.007 6.253 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.001 -4.971 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.241 -2.409 6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.794 -3.074 6.987 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.311 -4.299 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.352 -3.622 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.180 -2.219 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.663 -2.818 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.368 -5.804 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.680 -5.085 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.207 -5.994 6.043 1.00 0.00 H new ATOM 847 N LYS A 57 -3.408 -3.482 9.791 1.00 0.00 N ATOM 848 CA LYS A 57 -3.720 -2.702 10.983 1.00 0.00 C ATOM 849 C LYS A 57 -3.319 -1.242 10.797 1.00 0.00 C ATOM 850 O LYS A 57 -2.364 -0.938 10.082 1.00 0.00 O ATOM 851 CB LYS A 57 -3.005 -3.287 12.203 1.00 0.00 C ATOM 852 CG LYS A 57 -3.280 -4.765 12.418 1.00 0.00 C ATOM 853 CD LYS A 57 -2.538 -5.300 13.631 1.00 0.00 C ATOM 854 CE LYS A 57 -3.072 -6.659 14.057 1.00 0.00 C ATOM 855 NZ LYS A 57 -2.862 -7.692 13.006 1.00 0.00 N ATOM 0 H LYS A 57 -2.699 -4.201 9.932 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.797 -2.748 11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.931 -3.138 12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.311 -2.736 13.092 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.351 -4.922 12.547 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.981 -5.324 11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.475 -5.381 13.402 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.633 -4.595 14.457 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.578 -6.971 14.977 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.136 -6.578 14.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.783 -8.041 12.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.341 -7.275 12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.314 -8.483 13.401 1.00 0.00 H new ATOM 869 N GLU A 58 -4.053 -0.344 11.447 1.00 0.00 N ATOM 870 CA GLU A 58 -3.771 1.084 11.352 1.00 0.00 C ATOM 871 C GLU A 58 -2.270 1.348 11.413 1.00 0.00 C ATOM 872 O GLU A 58 -1.771 2.296 10.808 1.00 0.00 O ATOM 873 CB GLU A 58 -4.479 1.841 12.478 1.00 0.00 C ATOM 874 CG GLU A 58 -4.823 3.278 12.123 1.00 0.00 C ATOM 875 CD GLU A 58 -4.973 4.161 13.346 1.00 0.00 C ATOM 876 OE1 GLU A 58 -4.248 3.933 14.336 1.00 0.00 O ATOM 877 OE2 GLU A 58 -5.816 5.082 13.312 1.00 0.00 O ATOM 0 H GLU A 58 -4.846 -0.579 12.044 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.146 1.439 10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.395 1.311 12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.843 1.837 13.363 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.044 3.686 11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.751 3.295 11.551 1.00 0.00 H new ATOM 884 N ASN A 59 -1.555 0.501 12.148 1.00 0.00 N ATOM 885 CA ASN A 59 -0.111 0.643 12.289 1.00 0.00 C ATOM 886 C ASN A 59 0.605 0.212 11.013 1.00 0.00 C ATOM 887 O ASN A 59 1.502 0.903 10.528 1.00 0.00 O ATOM 888 CB ASN A 59 0.391 -0.186 13.473 1.00 0.00 C ATOM 889 CG ASN A 59 1.846 0.092 13.798 1.00 0.00 C ATOM 890 OD1 ASN A 59 2.735 -0.668 13.414 1.00 0.00 O ATOM 891 ND2 ASN A 59 2.094 1.184 14.511 1.00 0.00 N ATOM 0 H ASN A 59 -1.953 -0.290 12.654 1.00 0.00 H new ATOM 0 HA ASN A 59 0.109 1.695 12.471 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.221 0.028 14.349 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.268 -1.246 13.249 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.053 1.422 14.762 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.325 1.785 14.808 1.00 0.00 H new ATOM 898 N ASP A 60 0.203 -0.933 10.473 1.00 0.00 N ATOM 899 CA ASP A 60 0.804 -1.456 9.252 1.00 0.00 C ATOM 900 C ASP A 60 0.670 -0.455 8.108 1.00 0.00 C ATOM 901 O ASP A 60 1.465 -0.463 7.168 1.00 0.00 O ATOM 902 CB ASP A 60 0.151 -2.783 8.864 1.00 0.00 C ATOM 903 CG ASP A 60 0.605 -3.931 9.744 1.00 0.00 C ATOM 904 OD1 ASP A 60 0.986 -3.674 10.905 1.00 0.00 O ATOM 905 OD2 ASP A 60 0.579 -5.087 9.272 1.00 0.00 O ATOM 0 H ASP A 60 -0.537 -1.517 10.862 1.00 0.00 H new ATOM 0 HA ASP A 60 1.864 -1.624 9.442 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.932 -2.685 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.387 -3.011 7.824 1.00 0.00 H new ATOM 910 N ILE A 61 -0.340 0.403 8.196 1.00 0.00 N ATOM 911 CA ILE A 61 -0.577 1.409 7.168 1.00 0.00 C ATOM 912 C ILE A 61 0.047 2.746 7.554 1.00 0.00 C ATOM 913 O ILE A 61 -0.063 3.189 8.697 1.00 0.00 O ATOM 914 CB ILE A 61 -2.083 1.612 6.916 1.00 0.00 C ATOM 915 CG1 ILE A 61 -2.749 0.279 6.569 1.00 0.00 C ATOM 916 CG2 ILE A 61 -2.302 2.626 5.803 1.00 0.00 C ATOM 917 CD1 ILE A 61 -4.233 0.396 6.301 1.00 0.00 C ATOM 0 H ILE A 61 -1.007 0.422 8.968 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.110 1.043 6.254 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.540 1.998 7.827 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.262 -0.143 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.590 -0.421 7.389 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.371 2.759 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.858 3.580 6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.834 2.267 4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.638 -0.587 6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.733 0.789 7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.399 1.071 5.461 1.00 0.00 H new ATOM 929 N LYS A 62 0.701 3.387 6.591 1.00 0.00 N ATOM 930 CA LYS A 62 1.341 4.676 6.827 1.00 0.00 C ATOM 931 C LYS A 62 1.371 5.510 5.550 1.00 0.00 C ATOM 932 O LYS A 62 1.311 4.972 4.444 1.00 0.00 O ATOM 933 CB LYS A 62 2.765 4.473 7.350 1.00 0.00 C ATOM 934 CG LYS A 62 3.733 3.962 6.297 1.00 0.00 C ATOM 935 CD LYS A 62 5.149 3.870 6.840 1.00 0.00 C ATOM 936 CE LYS A 62 5.825 5.233 6.867 1.00 0.00 C ATOM 937 NZ LYS A 62 5.497 5.990 8.106 1.00 0.00 N ATOM 0 H LYS A 62 0.802 3.035 5.639 1.00 0.00 H new ATOM 0 HA LYS A 62 0.758 5.212 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.136 5.419 7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.741 3.769 8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.410 2.980 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.716 4.626 5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.127 3.453 7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.732 3.185 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.905 5.104 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.514 5.810 5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.879 6.793 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.008 5.363 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.374 6.344 8.539 1.00 0.00 H new ATOM 951 N SER A 63 1.466 6.826 5.710 1.00 0.00 N ATOM 952 CA SER A 63 1.503 7.734 4.570 1.00 0.00 C ATOM 953 C SER A 63 2.916 8.261 4.340 1.00 0.00 C ATOM 954 O SER A 63 3.712 8.361 5.272 1.00 0.00 O ATOM 955 CB SER A 63 0.540 8.902 4.791 1.00 0.00 C ATOM 956 OG SER A 63 0.776 9.941 3.856 1.00 0.00 O ATOM 0 H SER A 63 1.519 7.287 6.618 1.00 0.00 H new ATOM 0 HA SER A 63 1.193 7.179 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.488 8.552 4.699 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.656 9.287 5.804 1.00 0.00 H new ATOM 0 HG SER A 63 0.147 10.675 4.017 1.00 0.00 H new ATOM 962 N GLY A 64 3.219 8.597 3.090 1.00 0.00 N ATOM 963 CA GLY A 64 4.536 9.110 2.758 1.00 0.00 C ATOM 964 C GLY A 64 4.630 9.579 1.320 1.00 0.00 C ATOM 965 O GLY A 64 4.001 9.022 0.420 1.00 0.00 O ATOM 0 H GLY A 64 2.576 8.523 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.778 9.938 3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.280 8.333 2.933 1.00 0.00 H new ATOM 969 N PRO A 65 5.431 10.630 1.088 1.00 0.00 N ATOM 970 CA PRO A 65 5.623 11.198 -0.250 1.00 0.00 C ATOM 971 C PRO A 65 6.411 10.270 -1.167 1.00 0.00 C ATOM 972 O PRO A 65 6.783 9.164 -0.775 1.00 0.00 O ATOM 973 CB PRO A 65 6.413 12.481 0.020 1.00 0.00 C ATOM 974 CG PRO A 65 7.122 12.226 1.305 1.00 0.00 C ATOM 975 CD PRO A 65 6.211 11.343 2.113 1.00 0.00 C ATOM 0 HA PRO A 65 4.675 11.364 -0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.117 12.690 -0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.752 13.344 0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.082 11.741 1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.327 13.159 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.774 10.653 2.742 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.569 11.925 2.774 1.00 0.00 H new ATOM 983 N SER A 66 6.665 10.727 -2.389 1.00 0.00 N ATOM 984 CA SER A 66 7.407 9.935 -3.363 1.00 0.00 C ATOM 985 C SER A 66 7.732 10.764 -4.602 1.00 0.00 C ATOM 986 O SER A 66 7.094 11.783 -4.865 1.00 0.00 O ATOM 987 CB SER A 66 6.605 8.695 -3.761 1.00 0.00 C ATOM 988 OG SER A 66 5.416 9.053 -4.444 1.00 0.00 O ATOM 0 H SER A 66 6.368 11.642 -2.728 1.00 0.00 H new ATOM 0 HA SER A 66 8.343 9.620 -2.902 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.214 8.053 -4.397 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.357 8.118 -2.870 1.00 0.00 H new ATOM 0 HG SER A 66 4.923 8.242 -4.689 1.00 0.00 H new ATOM 994 N SER A 67 8.729 10.318 -5.360 1.00 0.00 N ATOM 995 CA SER A 67 9.142 11.019 -6.569 1.00 0.00 C ATOM 996 C SER A 67 8.616 10.312 -7.814 1.00 0.00 C ATOM 997 O SER A 67 7.854 10.884 -8.592 1.00 0.00 O ATOM 998 CB SER A 67 10.668 11.117 -6.631 1.00 0.00 C ATOM 999 OG SER A 67 11.143 12.186 -5.831 1.00 0.00 O ATOM 0 H SER A 67 9.265 9.474 -5.158 1.00 0.00 H new ATOM 0 HA SER A 67 8.721 12.024 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.110 10.180 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.985 11.263 -7.664 1.00 0.00 H new ATOM 0 HG SER A 67 12.121 12.226 -5.886 1.00 0.00 H new ATOM 1005 N GLY A 68 9.029 9.061 -7.996 1.00 0.00 N ATOM 1006 CA GLY A 68 8.590 8.294 -9.147 1.00 0.00 C ATOM 1007 C GLY A 68 9.210 8.784 -10.441 1.00 0.00 C ATOM 1008 O GLY A 68 8.502 9.081 -11.403 1.00 0.00 O ATOM 0 H GLY A 68 9.660 8.565 -7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.846 7.245 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.504 8.350 -9.224 1.00 0.00 H new TER 1012 GLY A 68