USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 772 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 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0493) USER MOD Set 1.2: A 59 SER OG : rot -70:sc= 0.0773 USER MOD Set 1.3: A 76 ASN : amide:sc= -0.918 K(o=-0.84,f=0.071) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.0966 (180deg=-0.589) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.34 (180deg=0.104) USER MOD Single : A 3 TYR OH : rot 180:sc= 0.946 USER MOD Single : A 4 LYS NZ :NH3+ 178:sc= 1.17 (180deg=1.07) USER MOD Single : A 9 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.166) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 0.826 K(o=0.83,f=-4.8!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.101) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -7.78! K(o=-7.8!,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -140:sc= -0.488 USER MOD Single : A 51 SER OG : rot -35:sc= 0.215 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0531 USER MOD Single : A 65 SER OG : rot 54:sc= 0.0444 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00182 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -157:sc= -0.26 (180deg=-1.09) USER MOD Single : A 91 LYS NZ :NH3+ -107:sc= 1.45 (180deg=0.275) USER MOD Single : A 92 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.022) USER MOD Single : A 94 MET CE :methyl 163:sc= -0.0968 (180deg=-0.496) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.446 -11.343 10.247 1.00 0.00 N ATOM 2 CA MET A 1 8.146 -11.281 9.545 1.00 0.00 C ATOM 3 C MET A 1 7.900 -12.576 8.782 1.00 0.00 C ATOM 4 O MET A 1 8.805 -13.097 8.129 1.00 0.00 O ATOM 5 CB MET A 1 8.107 -10.098 8.569 1.00 0.00 C ATOM 6 CG MET A 1 8.308 -8.739 9.225 1.00 0.00 C ATOM 7 SD MET A 1 10.019 -8.429 9.711 1.00 0.00 S ATOM 8 CE MET A 1 10.803 -8.294 8.106 1.00 0.00 C ATOM 0 H1 MET A 1 9.805 -10.379 10.398 1.00 0.00 H new ATOM 0 H2 MET A 1 9.322 -11.815 11.166 1.00 0.00 H new ATOM 0 H3 MET A 1 10.126 -11.879 9.671 1.00 0.00 H new ATOM 0 HA MET A 1 7.365 -11.144 10.293 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.878 -10.241 7.812 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.148 -10.100 8.051 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.986 -7.959 8.535 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.669 -8.670 10.105 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.743 -7.750 8.205 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.000 -9.291 7.712 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.144 -7.758 7.423 1.00 0.00 H new ATOM 18 N PRO A 2 6.679 -13.127 8.872 1.00 0.00 N ATOM 19 CA PRO A 2 6.291 -14.317 8.108 1.00 0.00 C ATOM 20 C PRO A 2 6.285 -14.032 6.612 1.00 0.00 C ATOM 21 O PRO A 2 5.667 -13.069 6.159 1.00 0.00 O ATOM 22 CB PRO A 2 4.875 -14.629 8.605 1.00 0.00 C ATOM 23 CG PRO A 2 4.379 -13.348 9.182 1.00 0.00 C ATOM 24 CD PRO A 2 5.587 -12.643 9.729 1.00 0.00 C ATOM 0 HA PRO A 2 6.983 -15.147 8.251 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.236 -14.968 7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.885 -15.422 9.353 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.886 -12.743 8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.646 -13.532 9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.481 -11.560 9.672 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.758 -12.891 10.777 1.00 0.00 H new ATOM 32 N TYR A 3 6.976 -14.864 5.851 1.00 0.00 N ATOM 33 CA TYR A 3 7.126 -14.630 4.424 1.00 0.00 C ATOM 34 C TYR A 3 5.949 -15.201 3.644 1.00 0.00 C ATOM 35 O TYR A 3 5.580 -16.368 3.807 1.00 0.00 O ATOM 36 CB TYR A 3 8.439 -15.235 3.913 1.00 0.00 C ATOM 37 CG TYR A 3 8.749 -14.874 2.477 1.00 0.00 C ATOM 38 CD1 TYR A 3 9.286 -13.634 2.156 1.00 0.00 C ATOM 39 CD2 TYR A 3 8.500 -15.768 1.441 1.00 0.00 C ATOM 40 CE1 TYR A 3 9.562 -13.292 0.849 1.00 0.00 C ATOM 41 CE2 TYR A 3 8.772 -15.432 0.130 1.00 0.00 C ATOM 42 CZ TYR A 3 9.305 -14.193 -0.161 1.00 0.00 C ATOM 43 OH TYR A 3 9.578 -13.854 -1.469 1.00 0.00 O ATOM 0 H TYR A 3 7.440 -15.704 6.195 1.00 0.00 H new ATOM 0 HA TYR A 3 7.149 -13.552 4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.257 -14.898 4.549 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.390 -16.320 4.005 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.491 -12.925 2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.087 -16.740 1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.978 -12.322 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 3 8.569 -16.135 -0.664 1.00 0.00 H new ATOM 0 HH TYR A 3 9.340 -14.601 -2.057 1.00 0.00 H new ATOM 53 N LYS A 4 5.362 -14.369 2.800 1.00 0.00 N ATOM 54 CA LYS A 4 4.293 -14.804 1.915 1.00 0.00 C ATOM 55 C LYS A 4 4.884 -15.223 0.576 1.00 0.00 C ATOM 56 O LYS A 4 5.444 -14.400 -0.143 1.00 0.00 O ATOM 57 CB LYS A 4 3.273 -13.676 1.720 1.00 0.00 C ATOM 58 CG LYS A 4 2.088 -14.048 0.840 1.00 0.00 C ATOM 59 CD LYS A 4 1.043 -12.941 0.831 1.00 0.00 C ATOM 60 CE LYS A 4 -0.178 -13.318 0.008 1.00 0.00 C ATOM 61 NZ LYS A 4 0.069 -13.228 -1.456 1.00 0.00 N ATOM 0 H LYS A 4 5.609 -13.384 2.709 1.00 0.00 H new ATOM 0 HA LYS A 4 3.780 -15.656 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.902 -13.365 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.779 -12.816 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.431 -14.236 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.639 -14.973 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.737 -12.723 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.484 -12.029 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.482 -14.334 0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.007 -12.662 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.783 -13.528 -1.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.299 -12.246 -1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.864 -13.847 -1.713 1.00 0.00 H new ATOM 75 N ALA A 5 4.781 -16.504 0.256 1.00 0.00 N ATOM 76 CA ALA A 5 5.328 -17.017 -0.989 1.00 0.00 C ATOM 77 C ALA A 5 4.363 -16.760 -2.144 1.00 0.00 C ATOM 78 O ALA A 5 3.197 -17.157 -2.091 1.00 0.00 O ATOM 79 CB ALA A 5 5.640 -18.502 -0.865 1.00 0.00 C ATOM 0 H ALA A 5 4.325 -17.205 0.840 1.00 0.00 H new ATOM 0 HA ALA A 5 6.259 -16.491 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.049 -18.868 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.369 -18.655 -0.069 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.726 -19.047 -0.630 1.00 0.00 H new ATOM 85 N PRO A 6 4.824 -16.050 -3.178 1.00 0.00 N ATOM 86 CA PRO A 6 4.025 -15.743 -4.351 1.00 0.00 C ATOM 87 C PRO A 6 4.242 -16.724 -5.499 1.00 0.00 C ATOM 88 O PRO A 6 5.376 -17.080 -5.827 1.00 0.00 O ATOM 89 CB PRO A 6 4.538 -14.358 -4.727 1.00 0.00 C ATOM 90 CG PRO A 6 5.971 -14.326 -4.278 1.00 0.00 C ATOM 91 CD PRO A 6 6.159 -15.444 -3.273 1.00 0.00 C ATOM 0 HA PRO A 6 2.955 -15.799 -4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.459 -14.188 -5.801 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.956 -13.577 -4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.642 -14.457 -5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.210 -13.362 -3.829 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.904 -16.165 -3.610 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.497 -15.064 -2.309 1.00 0.00 H new ATOM 99 N GLU A 7 3.150 -17.173 -6.098 1.00 0.00 N ATOM 100 CA GLU A 7 3.226 -18.005 -7.288 1.00 0.00 C ATOM 101 C GLU A 7 2.974 -17.134 -8.509 1.00 0.00 C ATOM 102 O GLU A 7 3.898 -16.795 -9.250 1.00 0.00 O ATOM 103 CB GLU A 7 2.206 -19.149 -7.249 1.00 0.00 C ATOM 104 CG GLU A 7 2.416 -20.149 -6.120 1.00 0.00 C ATOM 105 CD GLU A 7 2.068 -19.586 -4.757 1.00 0.00 C ATOM 106 OE1 GLU A 7 0.889 -19.223 -4.540 1.00 0.00 O ATOM 107 OE2 GLU A 7 2.972 -19.488 -3.905 1.00 0.00 O ATOM 0 H GLU A 7 2.201 -16.975 -5.780 1.00 0.00 H new ATOM 0 HA GLU A 7 4.219 -18.453 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.206 -18.724 -7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.241 -19.682 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.807 -21.033 -6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.457 -20.473 -6.118 1.00 0.00 H new ATOM 114 N GLY A 8 1.717 -16.755 -8.693 1.00 0.00 N ATOM 115 CA GLY A 8 1.368 -15.813 -9.732 1.00 0.00 C ATOM 116 C GLY A 8 1.402 -14.397 -9.205 1.00 0.00 C ATOM 117 O GLY A 8 0.411 -13.905 -8.665 1.00 0.00 O ATOM 0 H GLY A 8 0.930 -17.087 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.062 -15.912 -10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.373 -16.039 -10.115 1.00 0.00 H new ATOM 121 N LYS A 9 2.547 -13.749 -9.346 1.00 0.00 N ATOM 122 CA LYS A 9 2.768 -12.442 -8.747 1.00 0.00 C ATOM 123 C LYS A 9 2.069 -11.323 -9.496 1.00 0.00 C ATOM 124 O LYS A 9 1.431 -11.524 -10.530 1.00 0.00 O ATOM 125 CB LYS A 9 4.253 -12.117 -8.699 1.00 0.00 C ATOM 126 CG LYS A 9 4.798 -11.904 -7.297 1.00 0.00 C ATOM 127 CD LYS A 9 5.968 -10.932 -7.304 1.00 0.00 C ATOM 128 CE LYS A 9 6.969 -11.230 -8.418 1.00 0.00 C ATOM 129 NZ LYS A 9 7.481 -12.628 -8.385 1.00 0.00 N ATOM 0 H LYS A 9 3.342 -14.109 -9.873 1.00 0.00 H new ATOM 0 HA LYS A 9 2.350 -12.503 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.807 -12.928 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.436 -11.219 -9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.008 -11.522 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.117 -12.859 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.591 -9.916 -7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.477 -10.975 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.496 -11.045 -9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.809 -10.540 -8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.494 -12.632 -8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.345 -13.025 -7.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.962 -13.204 -9.078 1.00 0.00 H new ATOM 143 N GLY A 10 2.238 -10.138 -8.944 1.00 0.00 N ATOM 144 CA GLY A 10 1.697 -8.936 -9.503 1.00 0.00 C ATOM 145 C GLY A 10 1.828 -7.823 -8.499 1.00 0.00 C ATOM 146 O GLY A 10 1.826 -8.078 -7.293 1.00 0.00 O ATOM 0 H GLY A 10 2.764 -9.991 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.224 -8.678 -10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.650 -9.082 -9.767 1.00 0.00 H new ATOM 150 N TYR A 11 1.948 -6.594 -8.966 1.00 0.00 N ATOM 151 CA TYR A 11 2.034 -5.450 -8.065 1.00 0.00 C ATOM 152 C TYR A 11 0.693 -5.199 -7.389 1.00 0.00 C ATOM 153 O TYR A 11 0.510 -4.212 -6.684 1.00 0.00 O ATOM 154 CB TYR A 11 2.487 -4.199 -8.817 1.00 0.00 C ATOM 155 CG TYR A 11 1.511 -3.707 -9.865 1.00 0.00 C ATOM 156 CD1 TYR A 11 1.283 -4.434 -11.024 1.00 0.00 C ATOM 157 CD2 TYR A 11 0.824 -2.512 -9.696 1.00 0.00 C ATOM 158 CE1 TYR A 11 0.399 -3.993 -11.984 1.00 0.00 C ATOM 159 CE2 TYR A 11 -0.061 -2.058 -10.656 1.00 0.00 C ATOM 160 CZ TYR A 11 -0.271 -2.803 -11.799 1.00 0.00 C ATOM 161 OH TYR A 11 -1.149 -2.350 -12.761 1.00 0.00 O ATOM 0 H TYR A 11 1.988 -6.359 -9.958 1.00 0.00 H new ATOM 0 HA TYR A 11 2.774 -5.679 -7.299 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.659 -3.400 -8.096 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.443 -4.406 -9.298 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.809 -5.365 -11.177 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.984 -1.929 -8.801 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.232 -4.577 -12.877 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.586 -1.125 -10.512 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.537 -1.497 -12.474 1.00 0.00 H new ATOM 171 N ALA A 12 -0.232 -6.118 -7.590 1.00 0.00 N ATOM 172 CA ALA A 12 -1.567 -5.991 -7.045 1.00 0.00 C ATOM 173 C ALA A 12 -1.575 -6.393 -5.577 1.00 0.00 C ATOM 174 O ALA A 12 -2.372 -5.889 -4.787 1.00 0.00 O ATOM 175 CB ALA A 12 -2.538 -6.843 -7.846 1.00 0.00 C ATOM 0 H ALA A 12 -0.079 -6.968 -8.132 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.884 -4.951 -7.115 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.540 -6.742 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.542 -6.512 -8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.230 -7.887 -7.799 1.00 0.00 H new ATOM 181 N ASP A 13 -0.653 -7.280 -5.216 1.00 0.00 N ATOM 182 CA ASP A 13 -0.567 -7.772 -3.848 1.00 0.00 C ATOM 183 C ASP A 13 -0.132 -6.651 -2.918 1.00 0.00 C ATOM 184 O ASP A 13 -0.774 -6.393 -1.906 1.00 0.00 O ATOM 185 CB ASP A 13 0.413 -8.945 -3.749 1.00 0.00 C ATOM 186 CG ASP A 13 0.391 -9.609 -2.384 1.00 0.00 C ATOM 187 OD1 ASP A 13 0.940 -9.031 -1.423 1.00 0.00 O ATOM 188 OD2 ASP A 13 -0.182 -10.715 -2.264 1.00 0.00 O ATOM 0 H ASP A 13 0.043 -7.671 -5.851 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.554 -8.124 -3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.169 -9.684 -4.512 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.422 -8.590 -3.960 1.00 0.00 H new ATOM 193 N VAL A 14 0.941 -5.962 -3.285 1.00 0.00 N ATOM 194 CA VAL A 14 1.456 -4.880 -2.465 1.00 0.00 C ATOM 195 C VAL A 14 0.536 -3.671 -2.500 1.00 0.00 C ATOM 196 O VAL A 14 0.352 -2.997 -1.488 1.00 0.00 O ATOM 197 CB VAL A 14 2.876 -4.467 -2.893 1.00 0.00 C ATOM 198 CG1 VAL A 14 3.886 -5.426 -2.317 1.00 0.00 C ATOM 199 CG2 VAL A 14 3.006 -4.429 -4.405 1.00 0.00 C ATOM 0 H VAL A 14 1.467 -6.134 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 14 1.501 -5.256 -1.443 1.00 0.00 H new ATOM 0 HB VAL A 14 3.066 -3.464 -2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.888 -5.127 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.821 -5.413 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.680 -6.433 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.020 -4.134 -4.676 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.794 -5.417 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.297 -3.708 -4.813 1.00 0.00 H new ATOM 209 N ALA A 15 -0.051 -3.412 -3.663 1.00 0.00 N ATOM 210 CA ALA A 15 -0.998 -2.319 -3.816 1.00 0.00 C ATOM 211 C ALA A 15 -2.138 -2.438 -2.811 1.00 0.00 C ATOM 212 O ALA A 15 -2.465 -1.481 -2.109 1.00 0.00 O ATOM 213 CB ALA A 15 -1.548 -2.284 -5.235 1.00 0.00 C ATOM 0 H ALA A 15 0.115 -3.947 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.468 -1.386 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.255 -1.460 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.728 -2.143 -5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.055 -3.224 -5.452 1.00 0.00 H new ATOM 219 N THR A 16 -2.721 -3.627 -2.726 1.00 0.00 N ATOM 220 CA THR A 16 -3.853 -3.853 -1.844 1.00 0.00 C ATOM 221 C THR A 16 -3.394 -4.061 -0.396 1.00 0.00 C ATOM 222 O THR A 16 -4.156 -3.840 0.544 1.00 0.00 O ATOM 223 CB THR A 16 -4.705 -5.063 -2.315 1.00 0.00 C ATOM 224 OG1 THR A 16 -5.997 -5.031 -1.696 1.00 0.00 O ATOM 225 CG2 THR A 16 -4.025 -6.389 -1.996 1.00 0.00 C ATOM 0 H THR A 16 -2.427 -4.447 -3.257 1.00 0.00 H new ATOM 0 HA THR A 16 -4.476 -2.960 -1.884 1.00 0.00 H new ATOM 0 HB THR A 16 -4.812 -4.984 -3.397 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.525 -5.798 -2.002 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.652 -7.211 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.059 -6.433 -2.499 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.877 -6.472 -0.919 1.00 0.00 H new ATOM 233 N HIS A 17 -2.140 -4.462 -0.213 1.00 0.00 N ATOM 234 CA HIS A 17 -1.631 -4.769 1.114 1.00 0.00 C ATOM 235 C HIS A 17 -1.109 -3.537 1.843 1.00 0.00 C ATOM 236 O HIS A 17 -1.179 -3.463 3.069 1.00 0.00 O ATOM 237 CB HIS A 17 -0.544 -5.833 1.022 1.00 0.00 C ATOM 238 CG HIS A 17 -1.047 -7.221 1.281 1.00 0.00 C ATOM 239 ND1 HIS A 17 -0.663 -8.325 0.549 1.00 0.00 N ATOM 240 CD2 HIS A 17 -1.908 -7.681 2.217 1.00 0.00 C ATOM 241 CE1 HIS A 17 -1.264 -9.396 1.025 1.00 0.00 C ATOM 242 NE2 HIS A 17 -2.024 -9.034 2.039 1.00 0.00 N ATOM 0 H HIS A 17 -1.462 -4.581 -0.965 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.467 -5.150 1.700 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.093 -5.797 0.030 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.244 -5.600 1.739 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -0.015 -8.314 -0.238 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.412 -7.090 2.967 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.153 -10.402 0.648 1.00 0.00 H new ATOM 251 N PHE A 18 -0.601 -2.563 1.104 1.00 0.00 N ATOM 252 CA PHE A 18 -0.046 -1.368 1.726 1.00 0.00 C ATOM 253 C PHE A 18 -1.158 -0.481 2.271 1.00 0.00 C ATOM 254 O PHE A 18 -0.925 0.375 3.125 1.00 0.00 O ATOM 255 CB PHE A 18 0.818 -0.589 0.741 1.00 0.00 C ATOM 256 CG PHE A 18 2.007 0.050 1.395 1.00 0.00 C ATOM 257 CD1 PHE A 18 2.999 -0.739 1.949 1.00 0.00 C ATOM 258 CD2 PHE A 18 2.134 1.427 1.455 1.00 0.00 C ATOM 259 CE1 PHE A 18 4.101 -0.167 2.553 1.00 0.00 C ATOM 260 CE2 PHE A 18 3.233 2.007 2.059 1.00 0.00 C ATOM 261 CZ PHE A 18 4.219 1.208 2.609 1.00 0.00 C ATOM 0 H PHE A 18 -0.561 -2.574 0.085 1.00 0.00 H new ATOM 0 HA PHE A 18 0.585 -1.685 2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.159 -1.260 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.213 0.182 0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.911 -1.815 1.909 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.367 2.054 1.026 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.869 -0.794 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.322 3.082 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.079 1.658 3.081 1.00 0.00 H new ATOM 271 N ARG A 19 -2.373 -0.709 1.781 1.00 0.00 N ATOM 272 CA ARG A 19 -3.545 0.034 2.235 1.00 0.00 C ATOM 273 C ARG A 19 -3.827 -0.215 3.717 1.00 0.00 C ATOM 274 O ARG A 19 -4.555 0.544 4.351 1.00 0.00 O ATOM 275 CB ARG A 19 -4.771 -0.343 1.397 1.00 0.00 C ATOM 276 CG ARG A 19 -4.768 0.263 -0.001 1.00 0.00 C ATOM 277 CD ARG A 19 -4.870 1.782 0.054 1.00 0.00 C ATOM 278 NE ARG A 19 -6.079 2.220 0.752 1.00 0.00 N ATOM 279 CZ ARG A 19 -6.169 3.342 1.471 1.00 0.00 C ATOM 280 NH1 ARG A 19 -5.167 4.211 1.487 1.00 0.00 N ATOM 281 NH2 ARG A 19 -7.289 3.620 2.127 1.00 0.00 N ATOM 0 H ARG A 19 -2.573 -1.407 1.065 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.335 1.096 2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.822 -1.429 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.671 -0.021 1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.854 -0.024 -0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.602 -0.139 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.992 2.187 0.558 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.870 2.183 -0.959 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.908 1.629 0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.321 4.024 0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.242 5.066 2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.080 2.977 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.359 4.476 2.676 1.00 0.00 H new ATOM 295 N THR A 20 -3.251 -1.281 4.261 1.00 0.00 N ATOM 296 CA THR A 20 -3.402 -1.590 5.676 1.00 0.00 C ATOM 297 C THR A 20 -2.421 -0.771 6.518 1.00 0.00 C ATOM 298 O THR A 20 -2.685 -0.459 7.678 1.00 0.00 O ATOM 299 CB THR A 20 -3.178 -3.091 5.930 1.00 0.00 C ATOM 300 OG1 THR A 20 -3.879 -3.859 4.938 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.669 -3.494 7.313 1.00 0.00 C ATOM 0 H THR A 20 -2.676 -1.945 3.743 1.00 0.00 H new ATOM 0 HA THR A 20 -4.419 -1.329 5.969 1.00 0.00 H new ATOM 0 HB THR A 20 -2.108 -3.288 5.870 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.733 -4.814 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.498 -4.560 7.464 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.127 -2.929 8.071 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.735 -3.283 7.396 1.00 0.00 H new ATOM 309 N LEU A 21 -1.308 -0.387 5.907 1.00 0.00 N ATOM 310 CA LEU A 21 -0.285 0.389 6.587 1.00 0.00 C ATOM 311 C LEU A 21 -0.684 1.851 6.580 1.00 0.00 C ATOM 312 O LEU A 21 -0.737 2.502 7.622 1.00 0.00 O ATOM 313 CB LEU A 21 1.083 0.230 5.905 1.00 0.00 C ATOM 314 CG LEU A 21 1.881 -1.041 6.234 1.00 0.00 C ATOM 315 CD1 LEU A 21 2.002 -1.233 7.736 1.00 0.00 C ATOM 316 CD2 LEU A 21 1.264 -2.268 5.589 1.00 0.00 C ATOM 0 H LEU A 21 -1.092 -0.604 4.934 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.199 0.024 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.930 0.265 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.695 1.092 6.168 1.00 0.00 H new ATOM 0 HG LEU A 21 2.882 -0.914 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.571 -2.139 7.942 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.515 -0.376 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.007 -1.322 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.854 -3.148 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.245 -2.397 5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.249 -2.141 4.506 1.00 0.00 H new ATOM 328 N ILE A 22 -1.001 2.347 5.389 1.00 0.00 N ATOM 329 CA ILE A 22 -1.406 3.734 5.206 1.00 0.00 C ATOM 330 C ILE A 22 -2.879 3.909 5.600 1.00 0.00 C ATOM 331 O ILE A 22 -3.517 4.922 5.300 1.00 0.00 O ATOM 332 CB ILE A 22 -1.179 4.176 3.736 1.00 0.00 C ATOM 333 CG1 ILE A 22 -1.318 5.693 3.592 1.00 0.00 C ATOM 334 CG2 ILE A 22 -2.137 3.458 2.799 1.00 0.00 C ATOM 335 CD1 ILE A 22 -0.249 6.465 4.327 1.00 0.00 C ATOM 0 H ILE A 22 -0.984 1.801 4.528 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.795 4.366 5.851 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.162 3.901 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.283 5.955 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.296 5.998 3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.958 3.785 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.977 2.382 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.164 3.691 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.408 7.534 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.298 6.231 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.731 6.188 3.939 1.00 0.00 H new ATOM 347 N LYS A 23 -3.410 2.905 6.283 1.00 0.00 N ATOM 348 CA LYS A 23 -4.774 2.913 6.727 1.00 0.00 C ATOM 349 C LYS A 23 -4.996 3.974 7.799 1.00 0.00 C ATOM 350 O LYS A 23 -5.559 5.034 7.522 1.00 0.00 O ATOM 351 CB LYS A 23 -5.135 1.532 7.268 1.00 0.00 C ATOM 352 CG LYS A 23 -6.604 1.375 7.555 1.00 0.00 C ATOM 353 CD LYS A 23 -6.915 0.011 8.149 1.00 0.00 C ATOM 354 CE LYS A 23 -6.643 -1.110 7.160 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.575 -1.080 6.002 1.00 0.00 N ATOM 0 H LYS A 23 -2.894 2.063 6.540 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.417 3.155 5.881 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.829 0.774 6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.571 1.348 8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.926 2.155 8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.172 1.510 6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.313 -0.141 9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.960 -0.022 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.617 -1.033 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.731 -2.070 7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.478 -1.959 5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.553 -0.992 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.347 -0.267 5.394 1.00 0.00 H new ATOM 369 N SER A 24 -4.574 3.687 9.026 1.00 0.00 N ATOM 370 CA SER A 24 -4.857 4.602 10.125 1.00 0.00 C ATOM 371 C SER A 24 -3.602 5.200 10.774 1.00 0.00 C ATOM 372 O SER A 24 -3.645 6.325 11.277 1.00 0.00 O ATOM 373 CB SER A 24 -5.684 3.875 11.184 1.00 0.00 C ATOM 374 OG SER A 24 -6.784 3.194 10.598 1.00 0.00 O ATOM 0 H SER A 24 -4.048 2.851 9.281 1.00 0.00 H new ATOM 0 HA SER A 24 -5.410 5.440 9.700 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.053 3.163 11.716 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.047 4.591 11.921 1.00 0.00 H new ATOM 0 HG SER A 24 -7.295 2.736 11.297 1.00 0.00 H new ATOM 380 N GLY A 25 -2.485 4.475 10.766 1.00 0.00 N ATOM 381 CA GLY A 25 -1.317 4.977 11.475 1.00 0.00 C ATOM 382 C GLY A 25 -0.042 4.189 11.246 1.00 0.00 C ATOM 383 O GLY A 25 1.051 4.734 11.398 1.00 0.00 O ATOM 0 H GLY A 25 -2.367 3.577 10.297 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.146 6.011 11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.535 4.985 12.543 1.00 0.00 H new ATOM 387 N GLU A 26 -0.175 2.907 10.909 1.00 0.00 N ATOM 388 CA GLU A 26 0.980 2.007 10.813 1.00 0.00 C ATOM 389 C GLU A 26 2.060 2.562 9.885 1.00 0.00 C ATOM 390 O GLU A 26 3.250 2.501 10.199 1.00 0.00 O ATOM 391 CB GLU A 26 0.534 0.621 10.362 1.00 0.00 C ATOM 392 CG GLU A 26 -0.342 -0.079 11.389 1.00 0.00 C ATOM 393 CD GLU A 26 -0.851 -1.423 10.917 1.00 0.00 C ATOM 394 OE1 GLU A 26 -0.115 -2.425 11.055 1.00 0.00 O ATOM 395 OE2 GLU A 26 -1.992 -1.485 10.419 1.00 0.00 O ATOM 0 H GLU A 26 -1.070 2.465 10.697 1.00 0.00 H new ATOM 0 HA GLU A 26 1.422 1.927 11.806 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.013 0.708 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.413 0.008 10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.226 -0.215 12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.191 0.560 11.630 1.00 0.00 H new ATOM 402 N LEU A 27 1.643 3.103 8.755 1.00 0.00 N ATOM 403 CA LEU A 27 2.538 3.855 7.891 1.00 0.00 C ATOM 404 C LEU A 27 2.089 5.310 7.892 1.00 0.00 C ATOM 405 O LEU A 27 1.389 5.757 6.986 1.00 0.00 O ATOM 406 CB LEU A 27 2.535 3.296 6.462 1.00 0.00 C ATOM 407 CG LEU A 27 3.910 2.935 5.875 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.887 4.092 6.022 1.00 0.00 C ATOM 409 CD2 LEU A 27 4.464 1.671 6.523 1.00 0.00 C ATOM 0 H LEU A 27 0.685 3.036 8.412 1.00 0.00 H new ATOM 0 HA LEU A 27 3.558 3.772 8.267 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.909 2.404 6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.064 4.029 5.807 1.00 0.00 H new ATOM 0 HG LEU A 27 3.779 2.739 4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.851 3.810 5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.500 4.964 5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.010 4.332 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.437 1.437 6.091 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.572 1.830 7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.779 0.841 6.346 1.00 0.00 H new ATOM 421 N ALA A 28 2.439 6.018 8.956 1.00 0.00 N ATOM 422 CA ALA A 28 2.015 7.399 9.136 1.00 0.00 C ATOM 423 C ALA A 28 2.603 8.305 8.066 1.00 0.00 C ATOM 424 O ALA A 28 3.807 8.282 7.830 1.00 0.00 O ATOM 425 CB ALA A 28 2.408 7.889 10.521 1.00 0.00 C ATOM 0 H ALA A 28 3.019 5.656 9.712 1.00 0.00 H new ATOM 0 HA ALA A 28 0.930 7.434 9.039 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.087 8.923 10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.929 7.266 11.277 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.490 7.829 10.634 1.00 0.00 H new ATOM 431 N PRO A 29 1.761 9.148 7.444 1.00 0.00 N ATOM 432 CA PRO A 29 2.178 10.034 6.357 1.00 0.00 C ATOM 433 C PRO A 29 3.064 11.162 6.858 1.00 0.00 C ATOM 434 O PRO A 29 2.807 11.763 7.905 1.00 0.00 O ATOM 435 CB PRO A 29 0.859 10.598 5.821 1.00 0.00 C ATOM 436 CG PRO A 29 -0.097 10.461 6.953 1.00 0.00 C ATOM 437 CD PRO A 29 0.321 9.220 7.687 1.00 0.00 C ATOM 0 HA PRO A 29 2.765 9.508 5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.968 11.639 5.518 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.518 10.045 4.946 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.060 11.333 7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.122 10.376 6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.097 9.289 8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.194 8.337 7.309 1.00 0.00 H new ATOM 445 N GLY A 30 4.120 11.426 6.105 1.00 0.00 N ATOM 446 CA GLY A 30 5.146 12.330 6.556 1.00 0.00 C ATOM 447 C GLY A 30 6.267 11.591 7.259 1.00 0.00 C ATOM 448 O GLY A 30 7.102 12.208 7.926 1.00 0.00 O ATOM 0 H GLY A 30 4.282 11.024 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.548 12.879 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.712 13.065 7.234 1.00 0.00 H new ATOM 452 N ASP A 31 6.290 10.264 7.116 1.00 0.00 N ATOM 453 CA ASP A 31 7.328 9.446 7.731 1.00 0.00 C ATOM 454 C ASP A 31 8.036 8.647 6.649 1.00 0.00 C ATOM 455 O ASP A 31 7.543 8.542 5.534 1.00 0.00 O ATOM 456 CB ASP A 31 6.740 8.505 8.790 1.00 0.00 C ATOM 457 CG ASP A 31 7.745 8.122 9.868 1.00 0.00 C ATOM 458 OD1 ASP A 31 8.864 7.675 9.532 1.00 0.00 O ATOM 459 OD2 ASP A 31 7.423 8.278 11.065 1.00 0.00 O ATOM 0 H ASP A 31 5.601 9.737 6.580 1.00 0.00 H new ATOM 0 HA ASP A 31 8.041 10.100 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.880 8.984 9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.376 7.601 8.303 1.00 0.00 H new ATOM 464 N THR A 32 9.186 8.109 6.965 1.00 0.00 N ATOM 465 CA THR A 32 9.992 7.416 5.982 1.00 0.00 C ATOM 466 C THR A 32 9.464 6.013 5.732 1.00 0.00 C ATOM 467 O THR A 32 8.844 5.405 6.604 1.00 0.00 O ATOM 468 CB THR A 32 11.454 7.320 6.429 1.00 0.00 C ATOM 469 OG1 THR A 32 11.512 6.833 7.778 1.00 0.00 O ATOM 470 CG2 THR A 32 12.142 8.672 6.339 1.00 0.00 C ATOM 0 H THR A 32 9.591 8.136 7.901 1.00 0.00 H new ATOM 0 HA THR A 32 9.935 7.996 5.061 1.00 0.00 H new ATOM 0 HB THR A 32 11.974 6.629 5.765 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.447 6.770 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.178 8.575 6.662 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.115 9.026 5.309 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.627 9.386 6.982 1.00 0.00 H new ATOM 478 N LEU A 33 9.717 5.505 4.539 1.00 0.00 N ATOM 479 CA LEU A 33 9.275 4.172 4.177 1.00 0.00 C ATOM 480 C LEU A 33 10.295 3.139 4.625 1.00 0.00 C ATOM 481 O LEU A 33 11.490 3.433 4.743 1.00 0.00 O ATOM 482 CB LEU A 33 9.049 4.048 2.662 1.00 0.00 C ATOM 483 CG LEU A 33 8.107 5.077 2.037 1.00 0.00 C ATOM 484 CD1 LEU A 33 7.570 4.567 0.709 1.00 0.00 C ATOM 485 CD2 LEU A 33 6.969 5.410 2.979 1.00 0.00 C ATOM 0 H LEU A 33 10.227 5.996 3.805 1.00 0.00 H new ATOM 0 HA LEU A 33 8.326 3.991 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.016 4.120 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.657 3.053 2.454 1.00 0.00 H new ATOM 0 HG LEU A 33 8.673 5.991 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.901 5.311 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.400 4.386 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.023 3.638 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.313 6.144 2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.403 4.505 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.371 5.821 3.905 1.00 0.00 H new ATOM 497 N PRO A 34 9.832 1.919 4.896 1.00 0.00 N ATOM 498 CA PRO A 34 10.711 0.793 5.195 1.00 0.00 C ATOM 499 C PRO A 34 11.356 0.250 3.924 1.00 0.00 C ATOM 500 O PRO A 34 10.957 0.611 2.814 1.00 0.00 O ATOM 501 CB PRO A 34 9.760 -0.240 5.799 1.00 0.00 C ATOM 502 CG PRO A 34 8.433 0.070 5.195 1.00 0.00 C ATOM 503 CD PRO A 34 8.407 1.563 4.997 1.00 0.00 C ATOM 0 HA PRO A 34 11.535 1.061 5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.076 -1.256 5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.729 -0.162 6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.304 -0.452 4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.622 -0.251 5.848 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.859 1.839 4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.924 2.071 5.832 1.00 0.00 H new ATOM 511 N SER A 35 12.351 -0.604 4.082 1.00 0.00 N ATOM 512 CA SER A 35 13.073 -1.132 2.938 1.00 0.00 C ATOM 513 C SER A 35 12.199 -2.143 2.205 1.00 0.00 C ATOM 514 O SER A 35 11.299 -2.734 2.804 1.00 0.00 O ATOM 515 CB SER A 35 14.383 -1.780 3.391 1.00 0.00 C ATOM 516 OG SER A 35 15.234 -2.055 2.289 1.00 0.00 O ATOM 0 H SER A 35 12.677 -0.946 4.986 1.00 0.00 H new ATOM 0 HA SER A 35 13.315 -0.316 2.257 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.894 -1.119 4.091 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.167 -2.705 3.925 1.00 0.00 H new ATOM 0 HG SER A 35 16.063 -2.467 2.611 1.00 0.00 H new ATOM 522 N VAL A 36 12.474 -2.343 0.914 1.00 0.00 N ATOM 523 CA VAL A 36 11.685 -3.248 0.075 1.00 0.00 C ATOM 524 C VAL A 36 11.582 -4.646 0.684 1.00 0.00 C ATOM 525 O VAL A 36 10.662 -5.395 0.368 1.00 0.00 O ATOM 526 CB VAL A 36 12.267 -3.357 -1.353 1.00 0.00 C ATOM 527 CG1 VAL A 36 12.177 -2.020 -2.072 1.00 0.00 C ATOM 528 CG2 VAL A 36 13.706 -3.847 -1.314 1.00 0.00 C ATOM 0 H VAL A 36 13.243 -1.886 0.424 1.00 0.00 H new ATOM 0 HA VAL A 36 10.686 -2.815 0.019 1.00 0.00 H new ATOM 0 HB VAL A 36 11.674 -4.085 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.592 -2.118 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.133 -1.713 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.741 -1.270 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.095 -3.916 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.313 -3.147 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.743 -4.830 -0.844 1.00 0.00 H new ATOM 538 N ALA A 37 12.514 -4.977 1.575 1.00 0.00 N ATOM 539 CA ALA A 37 12.531 -6.277 2.231 1.00 0.00 C ATOM 540 C ALA A 37 11.287 -6.470 3.092 1.00 0.00 C ATOM 541 O ALA A 37 10.719 -7.557 3.134 1.00 0.00 O ATOM 542 CB ALA A 37 13.789 -6.429 3.071 1.00 0.00 C ATOM 0 H ALA A 37 13.271 -4.356 1.859 1.00 0.00 H new ATOM 0 HA ALA A 37 12.531 -7.048 1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.787 -7.406 3.555 1.00 0.00 H new ATOM 0 HB2 ALA A 37 14.667 -6.343 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.816 -5.648 3.830 1.00 0.00 H new ATOM 548 N ASP A 38 10.869 -5.401 3.757 1.00 0.00 N ATOM 549 CA ASP A 38 9.678 -5.415 4.584 1.00 0.00 C ATOM 550 C ASP A 38 8.452 -5.677 3.738 1.00 0.00 C ATOM 551 O ASP A 38 7.660 -6.577 4.028 1.00 0.00 O ATOM 552 CB ASP A 38 9.521 -4.071 5.281 1.00 0.00 C ATOM 553 CG ASP A 38 10.508 -3.869 6.411 1.00 0.00 C ATOM 554 OD1 ASP A 38 11.701 -3.623 6.134 1.00 0.00 O ATOM 555 OD2 ASP A 38 10.098 -3.961 7.587 1.00 0.00 O ATOM 0 H ASP A 38 11.349 -4.501 3.736 1.00 0.00 H new ATOM 0 HA ASP A 38 9.780 -6.208 5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.647 -3.272 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.507 -3.988 5.673 1.00 0.00 H new ATOM 560 N ILE A 39 8.314 -4.885 2.679 1.00 0.00 N ATOM 561 CA ILE A 39 7.185 -4.996 1.780 1.00 0.00 C ATOM 562 C ILE A 39 7.112 -6.407 1.195 1.00 0.00 C ATOM 563 O ILE A 39 6.105 -7.079 1.336 1.00 0.00 O ATOM 564 CB ILE A 39 7.249 -3.980 0.609 1.00 0.00 C ATOM 565 CG1 ILE A 39 7.258 -2.527 1.096 1.00 0.00 C ATOM 566 CG2 ILE A 39 6.072 -4.178 -0.321 1.00 0.00 C ATOM 567 CD1 ILE A 39 8.610 -2.034 1.550 1.00 0.00 C ATOM 0 H ILE A 39 8.980 -4.155 2.426 1.00 0.00 H new ATOM 0 HA ILE A 39 6.297 -4.776 2.373 1.00 0.00 H new ATOM 0 HB ILE A 39 8.185 -4.167 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.901 -1.884 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.552 -2.428 1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.129 -3.459 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.094 -5.190 -0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.144 -4.028 0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.528 -0.998 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.963 -2.650 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.317 -2.098 0.723 1.00 0.00 H new ATOM 579 N ARG A 40 8.209 -6.862 0.585 1.00 0.00 N ATOM 580 CA ARG A 40 8.199 -8.119 -0.173 1.00 0.00 C ATOM 581 C ARG A 40 8.143 -9.358 0.720 1.00 0.00 C ATOM 582 O ARG A 40 7.825 -10.448 0.246 1.00 0.00 O ATOM 583 CB ARG A 40 9.417 -8.227 -1.094 1.00 0.00 C ATOM 584 CG ARG A 40 10.743 -8.292 -0.358 1.00 0.00 C ATOM 585 CD ARG A 40 11.802 -8.982 -1.198 1.00 0.00 C ATOM 586 NE ARG A 40 11.524 -10.410 -1.347 1.00 0.00 N ATOM 587 CZ ARG A 40 12.387 -11.371 -1.015 1.00 0.00 C ATOM 588 NH1 ARG A 40 13.593 -11.054 -0.557 1.00 0.00 N ATOM 589 NH2 ARG A 40 12.048 -12.647 -1.136 1.00 0.00 N ATOM 0 H ARG A 40 9.110 -6.384 0.600 1.00 0.00 H new ATOM 0 HA ARG A 40 7.286 -8.089 -0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.313 -9.117 -1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.428 -7.370 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.073 -7.284 -0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.614 -8.828 0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.848 -8.515 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.780 -8.847 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 40 10.619 -10.687 -1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.860 -10.074 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.252 -11.790 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.123 -12.898 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.712 -13.378 -0.881 1.00 0.00 H new ATOM 603 N ALA A 41 8.472 -9.211 1.996 1.00 0.00 N ATOM 604 CA ALA A 41 8.442 -10.351 2.899 1.00 0.00 C ATOM 605 C ALA A 41 7.035 -10.593 3.405 1.00 0.00 C ATOM 606 O ALA A 41 6.563 -11.731 3.437 1.00 0.00 O ATOM 607 CB ALA A 41 9.404 -10.157 4.061 1.00 0.00 C ATOM 0 H ALA A 41 8.758 -8.330 2.423 1.00 0.00 H new ATOM 0 HA ALA A 41 8.765 -11.230 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.360 -11.025 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.418 -10.043 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.124 -9.264 4.620 1.00 0.00 H new ATOM 613 N GLN A 42 6.362 -9.524 3.795 1.00 0.00 N ATOM 614 CA GLN A 42 4.985 -9.633 4.234 1.00 0.00 C ATOM 615 C GLN A 42 4.097 -9.808 3.019 1.00 0.00 C ATOM 616 O GLN A 42 3.279 -10.723 2.941 1.00 0.00 O ATOM 617 CB GLN A 42 4.565 -8.384 5.008 1.00 0.00 C ATOM 618 CG GLN A 42 5.314 -8.175 6.318 1.00 0.00 C ATOM 619 CD GLN A 42 4.899 -9.145 7.418 1.00 0.00 C ATOM 620 OE1 GLN A 42 4.937 -8.806 8.601 1.00 0.00 O ATOM 621 NE2 GLN A 42 4.521 -10.360 7.050 1.00 0.00 N ATOM 0 H GLN A 42 6.744 -8.579 3.816 1.00 0.00 H new ATOM 0 HA GLN A 42 4.886 -10.493 4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.716 -7.510 4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.497 -8.444 5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.384 -8.280 6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.148 -7.154 6.663 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.500 -10.610 6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.251 -11.046 7.755 1.00 0.00 H new ATOM 630 N PHE A 43 4.275 -8.901 2.085 1.00 0.00 N ATOM 631 CA PHE A 43 3.541 -8.910 0.844 1.00 0.00 C ATOM 632 C PHE A 43 4.354 -9.666 -0.196 1.00 0.00 C ATOM 633 O PHE A 43 5.366 -9.162 -0.662 1.00 0.00 O ATOM 634 CB PHE A 43 3.289 -7.469 0.393 1.00 0.00 C ATOM 635 CG PHE A 43 2.865 -6.546 1.508 1.00 0.00 C ATOM 636 CD1 PHE A 43 2.091 -7.005 2.564 1.00 0.00 C ATOM 637 CD2 PHE A 43 3.262 -5.219 1.507 1.00 0.00 C ATOM 638 CE1 PHE A 43 1.720 -6.160 3.590 1.00 0.00 C ATOM 639 CE2 PHE A 43 2.894 -4.370 2.531 1.00 0.00 C ATOM 640 CZ PHE A 43 2.122 -4.840 3.574 1.00 0.00 C ATOM 0 H PHE A 43 4.939 -8.131 2.168 1.00 0.00 H new ATOM 0 HA PHE A 43 2.578 -9.404 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.198 -7.077 -0.064 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.519 -7.469 -0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.775 -8.037 2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.867 -4.844 0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.116 -6.531 4.405 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.210 -3.337 2.516 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.833 -4.176 4.376 1.00 0.00 H new ATOM 650 N GLY A 44 3.927 -10.883 -0.510 1.00 0.00 N ATOM 651 CA GLY A 44 4.656 -11.749 -1.426 1.00 0.00 C ATOM 652 C GLY A 44 4.908 -11.131 -2.787 1.00 0.00 C ATOM 653 O GLY A 44 4.148 -11.346 -3.733 1.00 0.00 O ATOM 0 H GLY A 44 3.071 -11.295 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.613 -12.014 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.097 -12.676 -1.557 1.00 0.00 H new ATOM 657 N VAL A 45 5.986 -10.371 -2.877 1.00 0.00 N ATOM 658 CA VAL A 45 6.394 -9.731 -4.116 1.00 0.00 C ATOM 659 C VAL A 45 7.913 -9.760 -4.236 1.00 0.00 C ATOM 660 O VAL A 45 8.604 -10.278 -3.358 1.00 0.00 O ATOM 661 CB VAL A 45 5.914 -8.260 -4.202 1.00 0.00 C ATOM 662 CG1 VAL A 45 4.397 -8.164 -4.241 1.00 0.00 C ATOM 663 CG2 VAL A 45 6.461 -7.444 -3.044 1.00 0.00 C ATOM 0 H VAL A 45 6.605 -10.180 -2.090 1.00 0.00 H new ATOM 0 HA VAL A 45 5.933 -10.287 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 45 6.300 -7.849 -5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.100 -7.117 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.021 -8.699 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.981 -8.608 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.110 -6.415 -3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.115 -7.871 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.551 -7.459 -3.071 1.00 0.00 H new ATOM 673 N ALA A 46 8.427 -9.224 -5.332 1.00 0.00 N ATOM 674 CA ALA A 46 9.862 -9.069 -5.494 1.00 0.00 C ATOM 675 C ALA A 46 10.273 -7.676 -5.029 1.00 0.00 C ATOM 676 O ALA A 46 9.462 -6.947 -4.456 1.00 0.00 O ATOM 677 CB ALA A 46 10.260 -9.302 -6.943 1.00 0.00 C ATOM 0 H ALA A 46 7.872 -8.890 -6.120 1.00 0.00 H new ATOM 0 HA ALA A 46 10.380 -9.810 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.338 -9.182 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.976 -10.312 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.751 -8.579 -7.581 1.00 0.00 H new ATOM 683 N ALA A 47 11.510 -7.287 -5.294 1.00 0.00 N ATOM 684 CA ALA A 47 12.005 -6.000 -4.830 1.00 0.00 C ATOM 685 C ALA A 47 11.486 -4.881 -5.721 1.00 0.00 C ATOM 686 O ALA A 47 11.090 -3.818 -5.239 1.00 0.00 O ATOM 687 CB ALA A 47 13.526 -5.994 -4.792 1.00 0.00 C ATOM 0 H ALA A 47 12.185 -7.838 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 47 11.638 -5.833 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.877 -5.023 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.876 -6.772 -4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.916 -6.182 -5.792 1.00 0.00 H new ATOM 693 N LYS A 48 11.462 -5.135 -7.021 1.00 0.00 N ATOM 694 CA LYS A 48 10.951 -4.164 -7.970 1.00 0.00 C ATOM 695 C LYS A 48 9.427 -4.111 -7.916 1.00 0.00 C ATOM 696 O LYS A 48 8.828 -3.062 -8.143 1.00 0.00 O ATOM 697 CB LYS A 48 11.420 -4.497 -9.389 1.00 0.00 C ATOM 698 CG LYS A 48 10.845 -3.571 -10.448 1.00 0.00 C ATOM 699 CD LYS A 48 11.334 -3.927 -11.839 1.00 0.00 C ATOM 700 CE LYS A 48 10.640 -3.080 -12.890 1.00 0.00 C ATOM 701 NZ LYS A 48 11.196 -3.307 -14.248 1.00 0.00 N ATOM 0 H LYS A 48 11.791 -6.005 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 48 11.342 -3.184 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.508 -4.447 -9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.140 -5.524 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.757 -3.622 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.121 -2.542 -10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.412 -3.777 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.147 -4.983 -12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.574 -3.308 -12.893 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.740 -2.026 -12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.693 -2.709 -14.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.207 -3.065 -14.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.078 -4.307 -14.509 1.00 0.00 H new ATOM 715 N THR A 49 8.807 -5.246 -7.599 1.00 0.00 N ATOM 716 CA THR A 49 7.351 -5.339 -7.533 1.00 0.00 C ATOM 717 C THR A 49 6.779 -4.337 -6.528 1.00 0.00 C ATOM 718 O THR A 49 5.689 -3.793 -6.730 1.00 0.00 O ATOM 719 CB THR A 49 6.896 -6.756 -7.149 1.00 0.00 C ATOM 720 OG1 THR A 49 7.653 -7.733 -7.872 1.00 0.00 O ATOM 721 CG2 THR A 49 5.417 -6.952 -7.448 1.00 0.00 C ATOM 0 H THR A 49 9.293 -6.117 -7.383 1.00 0.00 H new ATOM 0 HA THR A 49 6.973 -5.104 -8.528 1.00 0.00 H new ATOM 0 HB THR A 49 7.062 -6.881 -6.079 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.062 -8.463 -8.152 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.120 -7.962 -7.167 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.832 -6.230 -6.878 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.238 -6.804 -8.513 1.00 0.00 H new ATOM 729 N VAL A 50 7.519 -4.097 -5.449 1.00 0.00 N ATOM 730 CA VAL A 50 7.159 -3.073 -4.480 1.00 0.00 C ATOM 731 C VAL A 50 7.044 -1.718 -5.172 1.00 0.00 C ATOM 732 O VAL A 50 5.987 -1.087 -5.174 1.00 0.00 O ATOM 733 CB VAL A 50 8.231 -2.975 -3.376 1.00 0.00 C ATOM 734 CG1 VAL A 50 7.866 -1.911 -2.353 1.00 0.00 C ATOM 735 CG2 VAL A 50 8.452 -4.326 -2.716 1.00 0.00 C ATOM 0 H VAL A 50 8.376 -4.603 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 50 6.202 -3.346 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 50 9.170 -2.675 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.639 -1.863 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.785 -0.943 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.912 -2.163 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.212 -4.232 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.519 -4.670 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.783 -5.046 -3.464 1.00 0.00 H new ATOM 745 N SER A 51 8.144 -1.301 -5.785 1.00 0.00 N ATOM 746 CA SER A 51 8.209 -0.034 -6.507 1.00 0.00 C ATOM 747 C SER A 51 7.288 -0.034 -7.730 1.00 0.00 C ATOM 748 O SER A 51 7.045 1.014 -8.333 1.00 0.00 O ATOM 749 CB SER A 51 9.653 0.251 -6.932 1.00 0.00 C ATOM 750 OG SER A 51 9.784 1.548 -7.492 1.00 0.00 O ATOM 0 H SER A 51 9.016 -1.830 -5.797 1.00 0.00 H new ATOM 0 HA SER A 51 7.867 0.753 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.312 0.158 -6.069 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.973 -0.495 -7.660 1.00 0.00 H new ATOM 0 HG SER A 51 8.974 1.769 -7.997 1.00 0.00 H new ATOM 756 N ARG A 52 6.781 -1.204 -8.092 1.00 0.00 N ATOM 757 CA ARG A 52 5.854 -1.328 -9.208 1.00 0.00 C ATOM 758 C ARG A 52 4.467 -0.850 -8.782 1.00 0.00 C ATOM 759 O ARG A 52 3.794 -0.131 -9.518 1.00 0.00 O ATOM 760 CB ARG A 52 5.816 -2.782 -9.694 1.00 0.00 C ATOM 761 CG ARG A 52 4.829 -3.058 -10.821 1.00 0.00 C ATOM 762 CD ARG A 52 5.163 -2.297 -12.095 1.00 0.00 C ATOM 763 NE ARG A 52 4.288 -2.688 -13.204 1.00 0.00 N ATOM 764 CZ ARG A 52 4.125 -1.976 -14.318 1.00 0.00 C ATOM 765 NH1 ARG A 52 4.770 -0.826 -14.474 1.00 0.00 N ATOM 766 NH2 ARG A 52 3.312 -2.413 -15.276 1.00 0.00 N ATOM 0 H ARG A 52 6.997 -2.085 -7.626 1.00 0.00 H new ATOM 0 HA ARG A 52 6.190 -0.703 -10.035 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.814 -3.064 -10.028 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.569 -3.425 -8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.817 -4.127 -11.034 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.825 -2.787 -10.494 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.067 -1.226 -11.915 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.202 -2.482 -12.368 1.00 0.00 H new ATOM 0 HE ARG A 52 3.770 -3.562 -13.117 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.392 -0.486 -13.740 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.644 -0.282 -15.328 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.812 -3.294 -15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.188 -1.867 -16.128 1.00 0.00 H new ATOM 780 N ALA A 53 4.048 -1.235 -7.579 1.00 0.00 N ATOM 781 CA ALA A 53 2.774 -0.773 -7.045 1.00 0.00 C ATOM 782 C ALA A 53 2.891 0.626 -6.460 1.00 0.00 C ATOM 783 O ALA A 53 1.887 1.306 -6.284 1.00 0.00 O ATOM 784 CB ALA A 53 2.253 -1.722 -5.988 1.00 0.00 C ATOM 0 H ALA A 53 4.568 -1.860 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 53 2.070 -0.745 -7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.301 -1.354 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.111 -2.710 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.971 -1.786 -5.171 1.00 0.00 H new ATOM 790 N LEU A 54 4.112 1.047 -6.144 1.00 0.00 N ATOM 791 CA LEU A 54 4.346 2.388 -5.601 1.00 0.00 C ATOM 792 C LEU A 54 3.826 3.481 -6.537 1.00 0.00 C ATOM 793 O LEU A 54 3.493 4.576 -6.092 1.00 0.00 O ATOM 794 CB LEU A 54 5.830 2.616 -5.311 1.00 0.00 C ATOM 795 CG LEU A 54 6.411 1.778 -4.166 1.00 0.00 C ATOM 796 CD1 LEU A 54 7.845 2.193 -3.880 1.00 0.00 C ATOM 797 CD2 LEU A 54 5.557 1.908 -2.911 1.00 0.00 C ATOM 0 H LEU A 54 4.955 0.483 -6.253 1.00 0.00 H new ATOM 0 HA LEU A 54 3.790 2.449 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.397 2.405 -6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.980 3.671 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 54 6.406 0.732 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.243 1.589 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.452 2.043 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.870 3.245 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.989 1.305 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.524 2.952 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.546 1.560 -3.122 1.00 0.00 H new ATOM 809 N ALA A 55 3.744 3.182 -7.828 1.00 0.00 N ATOM 810 CA ALA A 55 3.200 4.131 -8.796 1.00 0.00 C ATOM 811 C ALA A 55 1.686 4.250 -8.643 1.00 0.00 C ATOM 812 O ALA A 55 1.079 5.218 -9.088 1.00 0.00 O ATOM 813 CB ALA A 55 3.563 3.714 -10.212 1.00 0.00 C ATOM 0 H ALA A 55 4.046 2.294 -8.229 1.00 0.00 H new ATOM 0 HA ALA A 55 3.640 5.109 -8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.150 4.432 -10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.648 3.685 -10.316 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.152 2.725 -10.417 1.00 0.00 H new ATOM 819 N VAL A 56 1.081 3.245 -8.032 1.00 0.00 N ATOM 820 CA VAL A 56 -0.326 3.305 -7.665 1.00 0.00 C ATOM 821 C VAL A 56 -0.439 3.864 -6.250 1.00 0.00 C ATOM 822 O VAL A 56 -1.309 4.681 -5.941 1.00 0.00 O ATOM 823 CB VAL A 56 -0.986 1.909 -7.731 1.00 0.00 C ATOM 824 CG1 VAL A 56 -2.482 1.997 -7.470 1.00 0.00 C ATOM 825 CG2 VAL A 56 -0.716 1.253 -9.076 1.00 0.00 C ATOM 0 H VAL A 56 1.545 2.373 -7.778 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.846 3.951 -8.372 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.544 1.291 -6.949 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.920 1.000 -7.523 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.654 2.417 -6.479 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.945 2.637 -8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.189 0.271 -9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.125 1.875 -9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.359 1.142 -9.218 1.00 0.00 H new ATOM 835 N LEU A 57 0.496 3.439 -5.409 1.00 0.00 N ATOM 836 CA LEU A 57 0.592 3.879 -4.021 1.00 0.00 C ATOM 837 C LEU A 57 1.060 5.320 -3.914 1.00 0.00 C ATOM 838 O LEU A 57 1.313 5.804 -2.822 1.00 0.00 O ATOM 839 CB LEU A 57 1.549 2.964 -3.256 1.00 0.00 C ATOM 840 CG LEU A 57 0.914 1.745 -2.578 1.00 0.00 C ATOM 841 CD1 LEU A 57 -0.103 1.071 -3.487 1.00 0.00 C ATOM 842 CD2 LEU A 57 1.994 0.755 -2.181 1.00 0.00 C ATOM 0 H LEU A 57 1.219 2.770 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.405 3.823 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.315 2.613 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.055 3.556 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 57 0.390 2.089 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.534 0.210 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.894 1.779 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.389 0.740 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.536 -0.109 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.535 0.431 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.687 1.231 -1.488 1.00 0.00 H new ATOM 854 N LYS A 58 1.181 6.008 -5.031 1.00 0.00 N ATOM 855 CA LYS A 58 1.454 7.427 -4.981 1.00 0.00 C ATOM 856 C LYS A 58 0.167 8.168 -4.609 1.00 0.00 C ATOM 857 O LYS A 58 0.180 9.079 -3.784 1.00 0.00 O ATOM 858 CB LYS A 58 2.061 7.926 -6.304 1.00 0.00 C ATOM 859 CG LYS A 58 1.161 7.810 -7.519 1.00 0.00 C ATOM 860 CD LYS A 58 1.812 8.469 -8.726 1.00 0.00 C ATOM 861 CE LYS A 58 1.058 8.188 -10.016 1.00 0.00 C ATOM 862 NZ LYS A 58 -0.365 8.606 -9.942 1.00 0.00 N ATOM 0 H LYS A 58 1.096 5.615 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 58 2.201 7.631 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.345 8.971 -6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.977 7.367 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.962 6.760 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.200 8.281 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.863 9.546 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.837 8.112 -8.822 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.545 8.710 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.110 7.122 -10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.810 8.489 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.864 8.018 -9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.419 9.604 -9.656 1.00 0.00 H new ATOM 876 N SER A 59 -0.946 7.749 -5.203 1.00 0.00 N ATOM 877 CA SER A 59 -2.256 8.271 -4.834 1.00 0.00 C ATOM 878 C SER A 59 -2.916 7.400 -3.762 1.00 0.00 C ATOM 879 O SER A 59 -3.444 7.912 -2.782 1.00 0.00 O ATOM 880 CB SER A 59 -3.144 8.373 -6.073 1.00 0.00 C ATOM 881 OG SER A 59 -2.523 9.172 -7.070 1.00 0.00 O ATOM 0 H SER A 59 -0.966 7.048 -5.944 1.00 0.00 H new ATOM 0 HA SER A 59 -2.124 9.268 -4.413 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.341 7.377 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.108 8.804 -5.802 1.00 0.00 H new ATOM 0 HG SER A 59 -2.511 10.108 -6.779 1.00 0.00 H new ATOM 887 N GLU A 60 -2.864 6.081 -3.939 1.00 0.00 N ATOM 888 CA GLU A 60 -3.543 5.159 -3.026 1.00 0.00 C ATOM 889 C GLU A 60 -2.778 5.018 -1.712 1.00 0.00 C ATOM 890 O GLU A 60 -3.364 5.044 -0.629 1.00 0.00 O ATOM 891 CB GLU A 60 -3.692 3.774 -3.664 1.00 0.00 C ATOM 892 CG GLU A 60 -4.300 3.781 -5.055 1.00 0.00 C ATOM 893 CD GLU A 60 -5.691 4.372 -5.095 1.00 0.00 C ATOM 894 OE1 GLU A 60 -6.629 3.729 -4.578 1.00 0.00 O ATOM 895 OE2 GLU A 60 -5.854 5.475 -5.655 1.00 0.00 O ATOM 0 H GLU A 60 -2.362 5.627 -4.702 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.529 5.576 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.710 3.304 -3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.310 3.154 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.652 4.347 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.335 2.760 -5.434 1.00 0.00 H new ATOM 902 N GLY A 61 -1.470 4.831 -1.820 1.00 0.00 N ATOM 903 CA GLY A 61 -0.639 4.627 -0.645 1.00 0.00 C ATOM 904 C GLY A 61 -0.077 5.923 -0.097 1.00 0.00 C ATOM 905 O GLY A 61 0.466 5.947 1.006 1.00 0.00 O ATOM 0 H GLY A 61 -0.964 4.817 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.226 4.134 0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.183 3.957 -0.898 1.00 0.00 H new ATOM 909 N LEU A 62 -0.177 6.988 -0.896 1.00 0.00 N ATOM 910 CA LEU A 62 0.268 8.323 -0.496 1.00 0.00 C ATOM 911 C LEU A 62 1.794 8.393 -0.348 1.00 0.00 C ATOM 912 O LEU A 62 2.309 9.234 0.392 1.00 0.00 O ATOM 913 CB LEU A 62 -0.378 8.729 0.832 1.00 0.00 C ATOM 914 CG LEU A 62 -1.905 8.832 0.853 1.00 0.00 C ATOM 915 CD1 LEU A 62 -2.362 9.537 2.115 1.00 0.00 C ATOM 916 CD2 LEU A 62 -2.422 9.564 -0.363 1.00 0.00 C ATOM 0 H LEU A 62 -0.568 6.948 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.039 9.011 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.076 8.008 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.032 9.695 1.128 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.311 7.820 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.450 9.605 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.030 8.974 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.936 10.540 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.510 9.621 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.007 10.572 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.123 9.029 -1.264 1.00 0.00 H new ATOM 928 N VAL A 63 2.519 7.566 -1.093 1.00 0.00 N ATOM 929 CA VAL A 63 3.964 7.424 -0.886 1.00 0.00 C ATOM 930 C VAL A 63 4.753 8.054 -2.029 1.00 0.00 C ATOM 931 O VAL A 63 4.345 7.990 -3.191 1.00 0.00 O ATOM 932 CB VAL A 63 4.402 5.945 -0.730 1.00 0.00 C ATOM 933 CG1 VAL A 63 3.563 5.231 0.317 1.00 0.00 C ATOM 934 CG2 VAL A 63 4.346 5.210 -2.058 1.00 0.00 C ATOM 0 H VAL A 63 2.138 6.986 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 63 4.182 7.947 0.045 1.00 0.00 H new ATOM 0 HB VAL A 63 5.438 5.945 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.893 4.196 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.679 5.731 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.514 5.253 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.659 4.176 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.326 5.231 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.013 5.695 -2.771 1.00 0.00 H new ATOM 944 N SER A 64 5.881 8.659 -1.695 1.00 0.00 N ATOM 945 CA SER A 64 6.692 9.350 -2.679 1.00 0.00 C ATOM 946 C SER A 64 8.174 9.198 -2.354 1.00 0.00 C ATOM 947 O SER A 64 8.560 9.071 -1.189 1.00 0.00 O ATOM 948 CB SER A 64 6.297 10.827 -2.719 1.00 0.00 C ATOM 949 OG SER A 64 7.044 11.538 -3.690 1.00 0.00 O ATOM 0 H SER A 64 6.255 8.684 -0.746 1.00 0.00 H new ATOM 0 HA SER A 64 6.517 8.908 -3.660 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.233 10.914 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.456 11.274 -1.738 1.00 0.00 H new ATOM 0 HG SER A 64 6.767 12.478 -3.692 1.00 0.00 H new ATOM 955 N SER A 65 9.001 9.192 -3.384 1.00 0.00 N ATOM 956 CA SER A 65 10.432 9.102 -3.204 1.00 0.00 C ATOM 957 C SER A 65 11.041 10.497 -3.088 1.00 0.00 C ATOM 958 O SER A 65 11.393 11.119 -4.090 1.00 0.00 O ATOM 959 CB SER A 65 11.056 8.317 -4.361 1.00 0.00 C ATOM 960 OG SER A 65 10.465 8.679 -5.602 1.00 0.00 O ATOM 0 H SER A 65 8.701 9.249 -4.357 1.00 0.00 H new ATOM 0 HA SER A 65 10.644 8.568 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.129 8.507 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.927 7.248 -4.191 1.00 0.00 H new ATOM 0 HG SER A 65 10.513 9.651 -5.716 1.00 0.00 H new ATOM 966 N ARG A 66 11.126 10.999 -1.863 1.00 0.00 N ATOM 967 CA ARG A 66 11.715 12.306 -1.619 1.00 0.00 C ATOM 968 C ARG A 66 13.220 12.246 -1.824 1.00 0.00 C ATOM 969 O ARG A 66 13.953 11.719 -0.988 1.00 0.00 O ATOM 970 CB ARG A 66 11.385 12.796 -0.202 1.00 0.00 C ATOM 971 CG ARG A 66 12.121 14.067 0.198 1.00 0.00 C ATOM 972 CD ARG A 66 11.565 15.296 -0.507 1.00 0.00 C ATOM 973 NE ARG A 66 10.311 15.761 0.088 1.00 0.00 N ATOM 974 CZ ARG A 66 10.096 17.024 0.463 1.00 0.00 C ATOM 975 NH1 ARG A 66 11.042 17.941 0.287 1.00 0.00 N ATOM 976 NH2 ARG A 66 8.941 17.366 1.018 1.00 0.00 N ATOM 0 H ARG A 66 10.795 10.521 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 66 11.291 13.015 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.312 12.971 -0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.628 12.008 0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.047 14.204 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.180 13.962 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.302 16.098 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.401 15.065 -1.559 1.00 0.00 H new ATOM 0 HE ARG A 66 9.561 15.083 0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.933 17.680 -0.135 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.877 18.906 0.574 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.215 16.663 1.159 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.779 18.332 1.304 1.00 0.00 H new ATOM 990 N GLY A 67 13.679 12.794 -2.936 1.00 0.00 N ATOM 991 CA GLY A 67 15.089 12.744 -3.256 1.00 0.00 C ATOM 992 C GLY A 67 15.896 13.747 -2.453 1.00 0.00 C ATOM 993 O GLY A 67 16.558 14.620 -3.014 1.00 0.00 O ATOM 0 H GLY A 67 13.099 13.274 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.468 11.740 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.225 12.939 -4.320 1.00 0.00 H new ATOM 997 N ALA A 68 15.833 13.618 -1.137 1.00 0.00 N ATOM 998 CA ALA A 68 16.555 14.490 -0.226 1.00 0.00 C ATOM 999 C ALA A 68 16.706 13.801 1.122 1.00 0.00 C ATOM 1000 O ALA A 68 17.793 13.363 1.489 1.00 0.00 O ATOM 1001 CB ALA A 68 15.831 15.822 -0.066 1.00 0.00 C ATOM 0 H ALA A 68 15.277 12.902 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 68 17.543 14.693 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.389 16.459 0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.754 16.313 -1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.832 15.647 0.332 1.00 0.00 H new ATOM 1007 N LEU A 69 15.595 13.682 1.840 1.00 0.00 N ATOM 1008 CA LEU A 69 15.587 12.992 3.125 1.00 0.00 C ATOM 1009 C LEU A 69 15.523 11.489 2.901 1.00 0.00 C ATOM 1010 O LEU A 69 15.999 10.702 3.719 1.00 0.00 O ATOM 1011 CB LEU A 69 14.398 13.436 3.994 1.00 0.00 C ATOM 1012 CG LEU A 69 14.415 14.893 4.480 1.00 0.00 C ATOM 1013 CD1 LEU A 69 15.773 15.253 5.066 1.00 0.00 C ATOM 1014 CD2 LEU A 69 14.037 15.854 3.361 1.00 0.00 C ATOM 0 H LEU A 69 14.689 14.054 1.555 1.00 0.00 H new ATOM 0 HA LEU A 69 16.506 13.249 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.481 13.276 3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.351 12.785 4.867 1.00 0.00 H new ATOM 0 HG LEU A 69 13.667 14.989 5.267 1.00 0.00 H new ATOM 0 HD11 LEU A 69 15.761 16.289 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.990 14.599 5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.543 15.129 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 69 14.058 16.877 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.747 15.754 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.034 15.620 3.003 1.00 0.00 H new ATOM 1026 N GLY A 70 14.926 11.108 1.782 1.00 0.00 N ATOM 1027 CA GLY A 70 14.801 9.711 1.433 1.00 0.00 C ATOM 1028 C GLY A 70 13.379 9.350 1.092 1.00 0.00 C ATOM 1029 O GLY A 70 12.574 10.223 0.782 1.00 0.00 O ATOM 0 H GLY A 70 14.521 11.752 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 70 15.447 9.488 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 70 15.144 9.095 2.265 1.00 0.00 H new ATOM 1033 N THR A 71 13.049 8.079 1.169 1.00 0.00 N ATOM 1034 CA THR A 71 11.733 7.637 0.782 1.00 0.00 C ATOM 1035 C THR A 71 10.765 7.948 1.913 1.00 0.00 C ATOM 1036 O THR A 71 10.860 7.370 2.994 1.00 0.00 O ATOM 1037 CB THR A 71 11.717 6.129 0.469 1.00 0.00 C ATOM 1038 OG1 THR A 71 12.988 5.729 -0.066 1.00 0.00 O ATOM 1039 CG2 THR A 71 10.630 5.801 -0.540 1.00 0.00 C ATOM 0 H THR A 71 13.672 7.340 1.494 1.00 0.00 H new ATOM 0 HA THR A 71 11.434 8.162 -0.125 1.00 0.00 H new ATOM 0 HB THR A 71 11.517 5.591 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.973 4.769 -0.262 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.636 4.731 -0.747 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.659 6.086 -0.135 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.813 6.350 -1.464 1.00 0.00 H new ATOM 1047 N VAL A 72 9.850 8.870 1.669 1.00 0.00 N ATOM 1048 CA VAL A 72 9.009 9.415 2.722 1.00 0.00 C ATOM 1049 C VAL A 72 7.566 9.409 2.261 1.00 0.00 C ATOM 1050 O VAL A 72 7.276 9.780 1.124 1.00 0.00 O ATOM 1051 CB VAL A 72 9.423 10.862 3.091 1.00 0.00 C ATOM 1052 CG1 VAL A 72 8.561 11.400 4.217 1.00 0.00 C ATOM 1053 CG2 VAL A 72 10.893 10.929 3.479 1.00 0.00 C ATOM 0 H VAL A 72 9.669 9.260 0.744 1.00 0.00 H new ATOM 0 HA VAL A 72 9.129 8.793 3.609 1.00 0.00 H new ATOM 0 HB VAL A 72 9.271 11.484 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.871 12.417 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.516 11.403 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.676 10.767 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.156 11.956 3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.072 10.285 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.506 10.594 2.642 1.00 0.00 H new ATOM 1063 N VAL A 73 6.657 8.992 3.123 1.00 0.00 N ATOM 1064 CA VAL A 73 5.289 8.824 2.699 1.00 0.00 C ATOM 1065 C VAL A 73 4.540 10.163 2.727 1.00 0.00 C ATOM 1066 O VAL A 73 3.761 10.461 3.628 1.00 0.00 O ATOM 1067 CB VAL A 73 4.605 7.764 3.614 1.00 0.00 C ATOM 1068 CG1 VAL A 73 4.561 8.179 5.054 1.00 0.00 C ATOM 1069 CG2 VAL A 73 3.232 7.359 3.104 1.00 0.00 C ATOM 0 H VAL A 73 6.840 8.768 4.101 1.00 0.00 H new ATOM 0 HA VAL A 73 5.264 8.470 1.668 1.00 0.00 H new ATOM 0 HB VAL A 73 5.239 6.878 3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.074 7.401 5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.576 8.328 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.001 9.109 5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.798 6.619 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.586 8.236 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.326 6.931 2.106 1.00 0.00 H new ATOM 1079 N GLU A 74 4.825 10.990 1.735 1.00 0.00 N ATOM 1080 CA GLU A 74 3.979 12.115 1.391 1.00 0.00 C ATOM 1081 C GLU A 74 3.986 12.334 -0.117 1.00 0.00 C ATOM 1082 O GLU A 74 4.754 13.148 -0.623 1.00 0.00 O ATOM 1083 CB GLU A 74 4.423 13.385 2.121 1.00 0.00 C ATOM 1084 CG GLU A 74 5.921 13.636 2.067 1.00 0.00 C ATOM 1085 CD GLU A 74 6.266 15.083 2.320 1.00 0.00 C ATOM 1086 OE1 GLU A 74 5.811 15.640 3.339 1.00 0.00 O ATOM 1087 OE2 GLU A 74 6.977 15.681 1.486 1.00 0.00 O ATOM 0 H GLU A 74 5.652 10.898 1.145 1.00 0.00 H new ATOM 0 HA GLU A 74 2.962 11.887 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.906 14.241 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.113 13.320 3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.419 13.011 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.303 13.339 1.090 1.00 0.00 H new ATOM 1094 N LYS A 75 3.173 11.608 -0.848 1.00 0.00 N ATOM 1095 CA LYS A 75 3.079 11.850 -2.276 1.00 0.00 C ATOM 1096 C LYS A 75 1.923 12.759 -2.604 1.00 0.00 C ATOM 1097 O LYS A 75 2.080 13.964 -2.791 1.00 0.00 O ATOM 1098 CB LYS A 75 2.947 10.554 -3.072 1.00 0.00 C ATOM 1099 CG LYS A 75 2.828 10.764 -4.579 1.00 0.00 C ATOM 1100 CD LYS A 75 3.996 11.557 -5.147 1.00 0.00 C ATOM 1101 CE LYS A 75 3.861 11.735 -6.649 1.00 0.00 C ATOM 1102 NZ LYS A 75 4.945 12.582 -7.208 1.00 0.00 N ATOM 0 H LYS A 75 2.578 10.860 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 75 4.010 12.337 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.814 9.925 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.070 10.011 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.774 9.795 -5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.897 11.286 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.044 12.534 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.931 11.044 -4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.878 10.758 -7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.895 12.186 -6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.816 12.678 -8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.914 13.523 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.866 12.139 -7.015 1.00 0.00 H new ATOM 1116 N ASN A 76 0.758 12.157 -2.655 1.00 0.00 N ATOM 1117 CA ASN A 76 -0.400 12.791 -3.222 1.00 0.00 C ATOM 1118 C ASN A 76 -1.584 12.680 -2.290 1.00 0.00 C ATOM 1119 O ASN A 76 -2.297 11.684 -2.338 1.00 0.00 O ATOM 1120 CB ASN A 76 -0.730 12.102 -4.541 1.00 0.00 C ATOM 1121 CG ASN A 76 -1.740 12.859 -5.387 1.00 0.00 C ATOM 1122 OD1 ASN A 76 -2.550 12.251 -6.089 1.00 0.00 O ATOM 1123 ND2 ASN A 76 -1.692 14.182 -5.342 1.00 0.00 N ATOM 0 H ASN A 76 0.590 11.214 -2.304 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.188 13.848 -3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.188 11.974 -5.114 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.118 11.105 -4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.341 14.735 -5.902 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.006 14.648 -4.748 1.00 0.00 H new ATOM 1130 N PRO A 77 -1.789 13.681 -1.414 1.00 0.00 N ATOM 1131 CA PRO A 77 -2.952 13.742 -0.536 1.00 0.00 C ATOM 1132 C PRO A 77 -4.205 13.300 -1.256 1.00 0.00 C ATOM 1133 O PRO A 77 -4.549 13.849 -2.305 1.00 0.00 O ATOM 1134 CB PRO A 77 -3.044 15.225 -0.144 1.00 0.00 C ATOM 1135 CG PRO A 77 -1.899 15.910 -0.827 1.00 0.00 C ATOM 1136 CD PRO A 77 -0.919 14.837 -1.209 1.00 0.00 C ATOM 0 HA PRO A 77 -2.856 13.082 0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.996 15.652 -0.458 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.981 15.346 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.242 16.452 -1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.434 16.640 -0.165 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.365 15.095 -2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.184 14.659 -0.424 1.00 0.00 H new ATOM 1144 N ILE A 78 -4.858 12.280 -0.709 1.00 0.00 N ATOM 1145 CA ILE A 78 -6.078 11.776 -1.298 1.00 0.00 C ATOM 1146 C ILE A 78 -7.052 12.923 -1.425 1.00 0.00 C ATOM 1147 O ILE A 78 -7.368 13.584 -0.439 1.00 0.00 O ATOM 1148 CB ILE A 78 -6.686 10.615 -0.463 1.00 0.00 C ATOM 1149 CG1 ILE A 78 -6.036 9.287 -0.862 1.00 0.00 C ATOM 1150 CG2 ILE A 78 -8.204 10.535 -0.626 1.00 0.00 C ATOM 1151 CD1 ILE A 78 -6.357 8.855 -2.278 1.00 0.00 C ATOM 0 H ILE A 78 -4.559 11.793 0.136 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.858 11.363 -2.282 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.480 10.815 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.955 9.375 -0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.363 8.510 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.591 9.711 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.655 11.469 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.449 10.367 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.863 7.907 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.435 8.734 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.005 9.612 -2.978 1.00 0.00 H new ATOM 1163 N VAL A 79 -7.417 13.206 -2.671 1.00 0.00 N ATOM 1164 CA VAL A 79 -8.301 14.314 -3.005 1.00 0.00 C ATOM 1165 C VAL A 79 -9.630 14.208 -2.264 1.00 0.00 C ATOM 1166 O VAL A 79 -10.633 13.718 -2.793 1.00 0.00 O ATOM 1167 CB VAL A 79 -8.556 14.408 -4.525 1.00 0.00 C ATOM 1168 CG1 VAL A 79 -9.358 15.658 -4.860 1.00 0.00 C ATOM 1169 CG2 VAL A 79 -7.240 14.395 -5.291 1.00 0.00 C ATOM 0 H VAL A 79 -7.106 12.670 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.793 15.224 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.138 13.538 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.526 15.705 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.317 15.624 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.805 16.541 -4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.441 14.462 -6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.631 15.245 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.705 13.469 -5.080 1.00 0.00 H new ATOM 1179 N ILE A 80 -9.600 14.616 -1.014 1.00 0.00 N ATOM 1180 CA ILE A 80 -10.782 14.667 -0.187 1.00 0.00 C ATOM 1181 C ILE A 80 -11.603 15.911 -0.522 1.00 0.00 C ATOM 1182 O ILE A 80 -11.173 17.040 -0.271 1.00 0.00 O ATOM 1183 CB ILE A 80 -10.392 14.671 1.305 1.00 0.00 C ATOM 1184 CG1 ILE A 80 -9.696 13.355 1.681 1.00 0.00 C ATOM 1185 CG2 ILE A 80 -11.608 14.914 2.191 1.00 0.00 C ATOM 1186 CD1 ILE A 80 -9.256 13.287 3.130 1.00 0.00 C ATOM 0 H ILE A 80 -8.750 14.923 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.387 13.782 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.693 15.491 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.373 12.526 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.825 13.220 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.302 14.911 3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.051 15.879 1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.342 14.125 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.773 12.328 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.553 14.094 3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.125 13.389 3.779 1.00 0.00 H new ATOM 1198 N THR A 81 -12.783 15.697 -1.088 1.00 0.00 N ATOM 1199 CA THR A 81 -13.645 16.790 -1.522 1.00 0.00 C ATOM 1200 C THR A 81 -14.473 17.327 -0.346 1.00 0.00 C ATOM 1201 O THR A 81 -15.642 17.684 -0.489 1.00 0.00 O ATOM 1202 CB THR A 81 -14.572 16.317 -2.661 1.00 0.00 C ATOM 1203 OG1 THR A 81 -13.833 15.460 -3.540 1.00 0.00 O ATOM 1204 CG2 THR A 81 -15.111 17.499 -3.458 1.00 0.00 C ATOM 0 H THR A 81 -13.168 14.768 -1.259 1.00 0.00 H new ATOM 0 HA THR A 81 -13.016 17.599 -1.895 1.00 0.00 H new ATOM 0 HB THR A 81 -15.414 15.783 -2.221 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.416 15.154 -4.266 1.00 0.00 H new ATOM 0 HG21 THR A 81 -15.761 17.135 -4.254 1.00 0.00 H new ATOM 0 HG22 THR A 81 -15.678 18.155 -2.798 1.00 0.00 H new ATOM 0 HG23 THR A 81 -14.280 18.053 -3.894 1.00 0.00 H new ATOM 1212 N GLY A 82 -13.836 17.395 0.814 1.00 0.00 N ATOM 1213 CA GLY A 82 -14.487 17.891 2.006 1.00 0.00 C ATOM 1214 C GLY A 82 -13.477 18.314 3.046 1.00 0.00 C ATOM 1215 O GLY A 82 -12.564 19.087 2.753 1.00 0.00 O ATOM 0 H GLY A 82 -12.866 17.111 0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.125 18.737 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -15.135 17.117 2.418 1.00 0.00 H new ATOM 1219 N ALA A 83 -13.621 17.789 4.250 1.00 0.00 N ATOM 1220 CA ALA A 83 -12.710 18.093 5.341 1.00 0.00 C ATOM 1221 C ALA A 83 -12.859 17.050 6.436 1.00 0.00 C ATOM 1222 O ALA A 83 -13.765 16.222 6.382 1.00 0.00 O ATOM 1223 CB ALA A 83 -12.980 19.490 5.889 1.00 0.00 C ATOM 0 H ALA A 83 -14.369 17.142 4.499 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.686 18.070 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.289 19.701 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.840 20.225 5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -14.004 19.544 6.258 1.00 0.00 H new ATOM 1229 N ASP A 84 -11.988 17.112 7.436 1.00 0.00 N ATOM 1230 CA ASP A 84 -12.032 16.185 8.570 1.00 0.00 C ATOM 1231 C ASP A 84 -13.092 16.643 9.575 1.00 0.00 C ATOM 1232 O ASP A 84 -13.272 16.063 10.644 1.00 0.00 O ATOM 1233 CB ASP A 84 -10.647 16.103 9.229 1.00 0.00 C ATOM 1234 CG ASP A 84 -10.582 15.107 10.372 1.00 0.00 C ATOM 1235 OD1 ASP A 84 -10.516 13.887 10.107 1.00 0.00 O ATOM 1236 OD2 ASP A 84 -10.585 15.538 11.544 1.00 0.00 O ATOM 0 H ASP A 84 -11.236 17.799 7.488 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.303 15.190 8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.910 15.828 8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.370 17.090 9.600 1.00 0.00 H new ATOM 1241 N ARG A 85 -13.821 17.678 9.185 1.00 0.00 N ATOM 1242 CA ARG A 85 -14.868 18.263 10.012 1.00 0.00 C ATOM 1243 C ARG A 85 -16.136 17.407 10.014 1.00 0.00 C ATOM 1244 O ARG A 85 -17.101 17.723 10.714 1.00 0.00 O ATOM 1245 CB ARG A 85 -15.204 19.666 9.502 1.00 0.00 C ATOM 1246 CG ARG A 85 -14.064 20.662 9.634 1.00 0.00 C ATOM 1247 CD ARG A 85 -14.376 21.959 8.904 1.00 0.00 C ATOM 1248 NE ARG A 85 -15.674 22.511 9.290 1.00 0.00 N ATOM 1249 CZ ARG A 85 -16.527 23.077 8.433 1.00 0.00 C ATOM 1250 NH1 ARG A 85 -16.206 23.207 7.151 1.00 0.00 N ATOM 1251 NH2 ARG A 85 -17.704 23.521 8.858 1.00 0.00 N ATOM 0 H ARG A 85 -13.703 18.138 8.282 1.00 0.00 H new ATOM 0 HA ARG A 85 -14.493 18.313 11.034 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.495 19.600 8.454 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -16.068 20.043 10.050 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.881 20.871 10.688 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.149 20.227 9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.595 22.690 9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.364 21.781 7.829 1.00 0.00 H new ATOM 0 HE ARG A 85 -15.944 22.461 10.272 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.303 22.873 6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.863 23.640 6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -17.958 23.430 9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.354 23.953 8.201 1.00 0.00 H new ATOM 1265 N LEU A 86 -16.140 16.332 9.226 1.00 0.00 N ATOM 1266 CA LEU A 86 -17.309 15.467 9.116 1.00 0.00 C ATOM 1267 C LEU A 86 -17.495 14.633 10.392 1.00 0.00 C ATOM 1268 O LEU A 86 -16.974 13.529 10.529 1.00 0.00 O ATOM 1269 CB LEU A 86 -17.224 14.579 7.850 1.00 0.00 C ATOM 1270 CG LEU A 86 -16.247 13.389 7.868 1.00 0.00 C ATOM 1271 CD1 LEU A 86 -16.367 12.595 6.578 1.00 0.00 C ATOM 1272 CD2 LEU A 86 -14.810 13.840 8.070 1.00 0.00 C ATOM 0 H LEU A 86 -15.346 16.041 8.656 1.00 0.00 H new ATOM 0 HA LEU A 86 -18.193 16.096 9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -18.222 14.189 7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -16.955 15.219 7.010 1.00 0.00 H new ATOM 0 HG LEU A 86 -16.516 12.754 8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.672 11.756 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -17.385 12.220 6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -16.130 13.239 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.153 12.970 8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.521 14.507 7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.724 14.367 9.020 1.00 0.00 H new ATOM 1284 N LYS A 87 -18.239 15.193 11.336 1.00 0.00 N ATOM 1285 CA LYS A 87 -18.449 14.554 12.629 1.00 0.00 C ATOM 1286 C LYS A 87 -19.320 13.308 12.502 1.00 0.00 C ATOM 1287 O LYS A 87 -19.166 12.355 13.262 1.00 0.00 O ATOM 1288 CB LYS A 87 -19.072 15.550 13.613 1.00 0.00 C ATOM 1289 CG LYS A 87 -18.190 16.766 13.867 1.00 0.00 C ATOM 1290 CD LYS A 87 -18.777 17.699 14.916 1.00 0.00 C ATOM 1291 CE LYS A 87 -19.989 18.453 14.395 1.00 0.00 C ATOM 1292 NZ LYS A 87 -20.503 19.430 15.394 1.00 0.00 N ATOM 0 H LYS A 87 -18.709 16.092 11.230 1.00 0.00 H new ATOM 0 HA LYS A 87 -17.478 14.238 13.011 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -20.035 15.881 13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -19.266 15.045 14.559 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.203 16.435 14.191 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -18.052 17.313 12.934 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.060 17.122 15.796 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -18.016 18.412 15.233 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.724 18.977 13.477 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -20.777 17.744 14.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -21.330 19.925 15.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.779 18.927 16.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.759 20.122 15.617 1.00 0.00 H new ATOM 1306 N ARG A 88 -20.225 13.317 11.533 1.00 0.00 N ATOM 1307 CA ARG A 88 -21.108 12.180 11.301 1.00 0.00 C ATOM 1308 C ARG A 88 -21.033 11.764 9.832 1.00 0.00 C ATOM 1309 O ARG A 88 -21.923 11.097 9.307 1.00 0.00 O ATOM 1310 CB ARG A 88 -22.545 12.540 11.708 1.00 0.00 C ATOM 1311 CG ARG A 88 -23.500 11.353 11.760 1.00 0.00 C ATOM 1312 CD ARG A 88 -22.938 10.215 12.601 1.00 0.00 C ATOM 1313 NE ARG A 88 -22.669 10.622 13.979 1.00 0.00 N ATOM 1314 CZ ARG A 88 -21.525 10.383 14.619 1.00 0.00 C ATOM 1315 NH1 ARG A 88 -20.540 9.723 14.016 1.00 0.00 N ATOM 1316 NH2 ARG A 88 -21.368 10.806 15.865 1.00 0.00 N ATOM 0 H ARG A 88 -20.368 14.099 10.894 1.00 0.00 H new ATOM 0 HA ARG A 88 -20.789 11.336 11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -22.524 13.017 12.688 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -22.936 13.275 11.004 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -24.456 11.673 12.173 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -23.693 10.997 10.748 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -23.644 9.384 12.601 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -22.017 9.851 12.146 1.00 0.00 H new ATOM 0 HE ARG A 88 -23.403 11.120 14.482 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -20.657 9.396 13.057 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -19.667 9.544 14.513 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -22.121 11.312 16.330 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -20.494 10.625 16.359 1.00 0.00 H new ATOM 1330 N MET A 89 -19.936 12.161 9.192 1.00 0.00 N ATOM 1331 CA MET A 89 -19.686 11.881 7.776 1.00 0.00 C ATOM 1332 C MET A 89 -20.726 12.553 6.878 1.00 0.00 C ATOM 1333 O MET A 89 -20.488 13.640 6.361 1.00 0.00 O ATOM 1334 CB MET A 89 -19.627 10.371 7.513 1.00 0.00 C ATOM 1335 CG MET A 89 -19.224 10.014 6.090 1.00 0.00 C ATOM 1336 SD MET A 89 -18.962 8.243 5.865 1.00 0.00 S ATOM 1337 CE MET A 89 -17.610 7.955 7.003 1.00 0.00 C ATOM 0 H MET A 89 -19.189 12.690 9.642 1.00 0.00 H new ATOM 0 HA MET A 89 -18.713 12.305 7.527 1.00 0.00 H new ATOM 0 HB2 MET A 89 -18.919 9.918 8.206 1.00 0.00 H new ATOM 0 HB3 MET A 89 -20.604 9.936 7.725 1.00 0.00 H new ATOM 0 HG2 MET A 89 -19.998 10.353 5.401 1.00 0.00 H new ATOM 0 HG3 MET A 89 -18.310 10.548 5.830 1.00 0.00 H new ATOM 0 HE1 MET A 89 -17.069 7.057 6.705 1.00 0.00 H new ATOM 0 HE2 MET A 89 -16.933 8.809 6.987 1.00 0.00 H new ATOM 0 HE3 MET A 89 -18.004 7.824 8.011 1.00 0.00 H new ATOM 1347 N GLU A 90 -21.886 11.927 6.723 1.00 0.00 N ATOM 1348 CA GLU A 90 -22.935 12.453 5.855 1.00 0.00 C ATOM 1349 C GLU A 90 -23.868 13.384 6.621 1.00 0.00 C ATOM 1350 O GLU A 90 -25.093 13.297 6.508 1.00 0.00 O ATOM 1351 CB GLU A 90 -23.730 11.309 5.216 1.00 0.00 C ATOM 1352 CG GLU A 90 -22.983 10.601 4.100 1.00 0.00 C ATOM 1353 CD GLU A 90 -23.806 9.514 3.437 1.00 0.00 C ATOM 1354 OE1 GLU A 90 -24.929 9.805 2.977 1.00 0.00 O ATOM 1355 OE2 GLU A 90 -23.323 8.369 3.354 1.00 0.00 O ATOM 0 H GLU A 90 -22.126 11.052 7.188 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.456 13.030 5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -23.989 10.583 5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -24.666 11.704 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -22.683 11.332 3.349 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -22.069 10.164 4.502 1.00 0.00 H new ATOM 1362 N LYS A 91 -23.284 14.287 7.393 1.00 0.00 N ATOM 1363 CA LYS A 91 -24.060 15.291 8.097 1.00 0.00 C ATOM 1364 C LYS A 91 -24.436 16.398 7.123 1.00 0.00 C ATOM 1365 O LYS A 91 -23.574 17.160 6.685 1.00 0.00 O ATOM 1366 CB LYS A 91 -23.270 15.888 9.263 1.00 0.00 C ATOM 1367 CG LYS A 91 -24.130 16.693 10.229 1.00 0.00 C ATOM 1368 CD LYS A 91 -23.338 17.799 10.911 1.00 0.00 C ATOM 1369 CE LYS A 91 -23.140 18.995 9.988 1.00 0.00 C ATOM 1370 NZ LYS A 91 -24.419 19.718 9.730 1.00 0.00 N ATOM 0 H LYS A 91 -22.277 14.344 7.547 1.00 0.00 H new ATOM 0 HA LYS A 91 -24.955 14.817 8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -22.780 15.083 9.810 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.483 16.530 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -24.971 17.129 9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -24.547 16.027 10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.859 18.117 11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.367 17.414 11.222 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -22.419 19.681 10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -22.717 18.657 9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -24.737 19.525 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.143 19.393 10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -24.270 20.740 9.849 1.00 0.00 H new ATOM 1384 N ASN A 92 -25.712 16.474 6.784 1.00 0.00 N ATOM 1385 CA ASN A 92 -26.197 17.461 5.825 1.00 0.00 C ATOM 1386 C ASN A 92 -25.976 18.867 6.365 1.00 0.00 C ATOM 1387 O ASN A 92 -26.072 19.087 7.575 1.00 0.00 O ATOM 1388 CB ASN A 92 -27.680 17.239 5.506 1.00 0.00 C ATOM 1389 CG ASN A 92 -27.936 16.039 4.607 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -28.911 16.014 3.855 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -27.076 15.035 4.677 1.00 0.00 N ATOM 0 H ASN A 92 -26.437 15.862 7.159 1.00 0.00 H new ATOM 0 HA ASN A 92 -25.633 17.343 4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -28.228 17.107 6.439 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -28.078 18.133 5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -27.210 14.207 4.097 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -26.279 15.089 5.311 1.00 0.00 H new ATOM 1398 N GLY A 93 -25.642 19.793 5.466 1.00 0.00 N ATOM 1399 CA GLY A 93 -25.321 21.164 5.844 1.00 0.00 C ATOM 1400 C GLY A 93 -26.262 21.738 6.888 1.00 0.00 C ATOM 1401 O GLY A 93 -25.874 21.917 8.044 1.00 0.00 O ATOM 0 H GLY A 93 -25.587 19.613 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -24.301 21.198 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -25.349 21.794 4.955 1.00 0.00 H new ATOM 1405 N MET A 94 -27.506 21.999 6.500 1.00 0.00 N ATOM 1406 CA MET A 94 -28.485 22.553 7.432 1.00 0.00 C ATOM 1407 C MET A 94 -29.255 21.429 8.123 1.00 0.00 C ATOM 1408 O MET A 94 -30.487 21.382 8.107 1.00 0.00 O ATOM 1409 CB MET A 94 -29.447 23.504 6.710 1.00 0.00 C ATOM 1410 CG MET A 94 -30.286 24.358 7.653 1.00 0.00 C ATOM 1411 SD MET A 94 -29.279 25.348 8.774 1.00 0.00 S ATOM 1412 CE MET A 94 -28.335 26.329 7.607 1.00 0.00 C ATOM 0 H MET A 94 -27.859 21.838 5.557 1.00 0.00 H new ATOM 0 HA MET A 94 -27.952 23.125 8.191 1.00 0.00 H new ATOM 0 HB2 MET A 94 -28.873 24.159 6.055 1.00 0.00 H new ATOM 0 HB3 MET A 94 -30.112 22.920 6.074 1.00 0.00 H new ATOM 0 HG2 MET A 94 -30.926 25.018 7.067 1.00 0.00 H new ATOM 0 HG3 MET A 94 -30.943 23.712 8.235 1.00 0.00 H new ATOM 0 HE1 MET A 94 -27.898 27.185 8.121 1.00 0.00 H new ATOM 0 HE2 MET A 94 -27.540 25.719 7.178 1.00 0.00 H new ATOM 0 HE3 MET A 94 -28.992 26.680 6.812 1.00 0.00 H new ATOM 1422 N ARG A 95 -28.501 20.520 8.720 1.00 0.00 N ATOM 1423 CA ARG A 95 -29.055 19.426 9.502 1.00 0.00 C ATOM 1424 C ARG A 95 -28.162 19.174 10.702 1.00 0.00 C ATOM 1425 O ARG A 95 -27.038 18.683 10.555 1.00 0.00 O ATOM 1426 CB ARG A 95 -29.154 18.139 8.676 1.00 0.00 C ATOM 1427 CG ARG A 95 -30.124 18.203 7.510 1.00 0.00 C ATOM 1428 CD ARG A 95 -31.566 18.286 7.967 1.00 0.00 C ATOM 1429 NE ARG A 95 -32.490 18.211 6.837 1.00 0.00 N ATOM 1430 CZ ARG A 95 -33.806 18.363 6.936 1.00 0.00 C ATOM 1431 NH1 ARG A 95 -34.362 18.589 8.121 1.00 0.00 N ATOM 1432 NH2 ARG A 95 -34.566 18.292 5.852 1.00 0.00 N ATOM 0 H ARG A 95 -27.482 20.520 8.676 1.00 0.00 H new ATOM 0 HA ARG A 95 -30.059 19.708 9.819 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -28.164 17.893 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -29.453 17.324 9.335 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -29.890 19.070 6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -29.994 17.321 6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -31.775 17.475 8.664 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -31.725 19.219 8.507 1.00 0.00 H new ATOM 0 HE ARG A 95 -32.099 18.030 5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -33.778 18.646 8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -35.373 18.706 8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -34.140 18.121 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -35.576 18.409 5.929 1.00 0.00 H new ATOM 1446 N TYR A 96 -28.634 19.539 11.876 1.00 0.00 N ATOM 1447 CA TYR A 96 -27.880 19.309 13.086 1.00 0.00 C ATOM 1448 C TYR A 96 -28.660 18.397 14.011 1.00 0.00 C ATOM 1449 O TYR A 96 -29.644 18.815 14.618 1.00 0.00 O ATOM 1450 CB TYR A 96 -27.554 20.630 13.787 1.00 0.00 C ATOM 1451 CG TYR A 96 -26.593 20.473 14.943 1.00 0.00 C ATOM 1452 CD1 TYR A 96 -25.375 19.829 14.767 1.00 0.00 C ATOM 1453 CD2 TYR A 96 -26.898 20.969 16.205 1.00 0.00 C ATOM 1454 CE1 TYR A 96 -24.488 19.682 15.813 1.00 0.00 C ATOM 1455 CE2 TYR A 96 -26.012 20.827 17.258 1.00 0.00 C ATOM 1456 CZ TYR A 96 -24.810 20.184 17.054 1.00 0.00 C ATOM 1457 OH TYR A 96 -23.926 20.037 18.096 1.00 0.00 O ATOM 0 H TYR A 96 -29.535 19.995 12.016 1.00 0.00 H new ATOM 0 HA TYR A 96 -26.938 18.828 12.822 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -27.128 21.323 13.061 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -28.479 21.078 14.151 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -25.118 19.437 13.794 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -27.840 21.472 16.366 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -23.546 19.176 15.659 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -26.261 21.218 18.234 1.00 0.00 H new ATOM 0 HH TYR A 96 -24.301 20.446 18.903 1.00 0.00 H new ATOM 1467 N ALA A 97 -28.229 17.143 14.083 1.00 0.00 N ATOM 1468 CA ALA A 97 -28.851 16.165 14.959 1.00 0.00 C ATOM 1469 C ALA A 97 -28.676 16.580 16.416 1.00 0.00 C ATOM 1470 O ALA A 97 -27.571 16.523 16.957 1.00 0.00 O ATOM 1471 CB ALA A 97 -28.257 14.783 14.720 1.00 0.00 C ATOM 0 H ALA A 97 -27.445 16.781 13.540 1.00 0.00 H new ATOM 0 HA ALA A 97 -29.917 16.122 14.736 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -28.734 14.062 15.384 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -28.426 14.489 13.684 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -27.186 14.808 14.920 1.00 0.00 H new ATOM 1477 N PRO A 98 -29.763 17.018 17.062 1.00 0.00 N ATOM 1478 CA PRO A 98 -29.725 17.559 18.413 1.00 0.00 C ATOM 1479 C PRO A 98 -30.014 16.505 19.479 1.00 0.00 C ATOM 1480 O PRO A 98 -30.113 16.814 20.667 1.00 0.00 O ATOM 1481 CB PRO A 98 -30.843 18.590 18.349 1.00 0.00 C ATOM 1482 CG PRO A 98 -31.874 17.962 17.468 1.00 0.00 C ATOM 1483 CD PRO A 98 -31.136 17.038 16.524 1.00 0.00 C ATOM 0 HA PRO A 98 -28.748 17.954 18.692 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -31.244 18.804 19.340 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -30.490 19.535 17.937 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -32.603 17.409 18.060 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -32.424 18.722 16.914 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -31.577 16.041 16.512 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -31.160 17.409 15.499 1.00 0.00 H new ATOM 1491 N GLY A 99 -30.147 15.258 19.047 1.00 0.00 N ATOM 1492 CA GLY A 99 -30.459 14.187 19.965 1.00 0.00 C ATOM 1493 C GLY A 99 -29.603 12.962 19.734 1.00 0.00 C ATOM 1494 O GLY A 99 -30.103 11.838 19.749 1.00 0.00 O ATOM 0 H GLY A 99 -30.043 14.971 18.074 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -30.320 14.537 20.988 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -31.510 13.917 19.861 1.00 0.00 H new ATOM 1498 N GLU A 100 -28.314 13.174 19.513 1.00 0.00 N ATOM 1499 CA GLU A 100 -27.385 12.070 19.341 1.00 0.00 C ATOM 1500 C GLU A 100 -26.606 11.864 20.633 1.00 0.00 C ATOM 1501 O GLU A 100 -26.986 10.980 21.426 1.00 0.00 O ATOM 1502 CB GLU A 100 -26.429 12.337 18.174 1.00 0.00 C ATOM 1503 CG GLU A 100 -25.523 11.158 17.853 1.00 0.00 C ATOM 1504 CD GLU A 100 -24.531 11.459 16.748 1.00 0.00 C ATOM 1505 OE1 GLU A 100 -23.423 11.944 17.057 1.00 0.00 O ATOM 1506 OE2 GLU A 100 -24.842 11.186 15.570 1.00 0.00 O ATOM 1507 OXT GLU A 100 -25.650 12.626 20.878 1.00 0.00 O ATOM 0 H GLU A 100 -27.889 14.099 19.449 1.00 0.00 H new ATOM 0 HA GLU A 100 -27.947 11.165 19.109 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -27.011 12.590 17.288 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -25.813 13.205 18.410 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -24.980 10.868 18.753 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -26.135 10.305 17.562 1.00 0.00 H new TER 1514 GLU A 100