USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.0436 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 164:sc= -1.8 (180deg=-2.54) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -6.71! USER MOD Single : A 13 SER OG : rot -126:sc= -4.43! USER MOD Single : A 14 HIS : no HE2:sc= -3.05 K(o=-3,f=-5.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0155) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= -0.53 (180deg=-0.53) USER MOD Single : A 44 SER OG : rot -125:sc= -2.23 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 15:sc= 0.431 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -159:sc= -0.0842 (180deg=-0.377) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -71:sc= -5.48! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -100:sc= -1.92 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -4.68! C(o=-4.7!,f=-4.7!) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.191 (180deg=-0.569) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.778 14.797 7.764 1.00 0.00 N ATOM 2 CA GLY A 1 23.209 13.422 7.686 1.00 0.00 C ATOM 3 C GLY A 1 22.811 13.037 6.274 1.00 0.00 C ATOM 4 O GLY A 1 23.329 13.597 5.307 1.00 0.00 O ATOM 0 H1 GLY A 1 24.702 14.764 8.241 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.898 15.178 6.804 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.132 15.410 8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.942 12.707 8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.337 13.356 8.337 1.00 0.00 H new ATOM 10 N PRO A 2 21.886 12.075 6.121 1.00 0.00 N ATOM 11 CA PRO A 2 21.427 11.624 4.802 1.00 0.00 C ATOM 12 C PRO A 2 20.975 12.782 3.919 1.00 0.00 C ATOM 13 O PRO A 2 20.233 13.659 4.359 1.00 0.00 O ATOM 14 CB PRO A 2 20.245 10.709 5.130 1.00 0.00 C ATOM 15 CG PRO A 2 20.512 10.226 6.513 1.00 0.00 C ATOM 16 CD PRO A 2 21.215 11.352 7.216 1.00 0.00 C ATOM 0 HA PRO A 2 22.221 11.131 4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.300 11.249 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 2 20.180 9.879 4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 2 19.584 9.967 7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 2 21.129 9.328 6.500 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.513 11.993 7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.930 10.982 7.951 1.00 0.00 H new ATOM 24 N MET A 3 21.428 12.778 2.669 1.00 0.00 N ATOM 25 CA MET A 3 21.070 13.828 1.722 1.00 0.00 C ATOM 26 C MET A 3 20.588 13.232 0.404 1.00 0.00 C ATOM 27 O MET A 3 21.264 12.395 -0.194 1.00 0.00 O ATOM 28 CB MET A 3 22.267 14.748 1.472 1.00 0.00 C ATOM 29 CG MET A 3 21.965 15.894 0.521 1.00 0.00 C ATOM 30 SD MET A 3 22.816 17.417 0.977 1.00 0.00 S ATOM 31 CE MET A 3 21.854 18.625 0.070 1.00 0.00 C ATOM 0 H MET A 3 22.044 12.059 2.289 1.00 0.00 H new ATOM 0 HA MET A 3 20.257 14.410 2.155 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.606 15.157 2.424 1.00 0.00 H new ATOM 0 HB3 MET A 3 23.090 14.158 1.067 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.256 15.608 -0.490 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.890 16.074 0.505 1.00 0.00 H new ATOM 0 HE1 MET A 3 22.258 19.621 0.250 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.901 18.401 -0.996 1.00 0.00 H new ATOM 0 HE3 MET A 3 20.817 18.589 0.403 1.00 0.00 H new ATOM 41 N GLY A 4 19.415 13.668 -0.043 1.00 0.00 N ATOM 42 CA GLY A 4 18.863 13.165 -1.288 1.00 0.00 C ATOM 43 C GLY A 4 17.892 12.022 -1.073 1.00 0.00 C ATOM 44 O GLY A 4 16.815 11.995 -1.669 1.00 0.00 O ATOM 0 H GLY A 4 18.837 14.360 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.355 13.976 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.676 12.831 -1.933 1.00 0.00 H new ATOM 48 N SER A 5 18.270 11.079 -0.218 1.00 0.00 N ATOM 49 CA SER A 5 17.425 9.927 0.074 1.00 0.00 C ATOM 50 C SER A 5 16.256 10.325 0.969 1.00 0.00 C ATOM 51 O SER A 5 16.449 10.878 2.052 1.00 0.00 O ATOM 52 CB SER A 5 18.244 8.824 0.746 1.00 0.00 C ATOM 53 OG SER A 5 18.712 7.884 -0.205 1.00 0.00 O ATOM 0 H SER A 5 19.157 11.089 0.286 1.00 0.00 H new ATOM 0 HA SER A 5 17.027 9.551 -0.869 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.090 9.265 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.633 8.317 1.493 1.00 0.00 H new ATOM 0 HG SER A 5 19.234 7.191 0.250 1.00 0.00 H new ATOM 59 N MET A 6 15.040 10.041 0.509 1.00 0.00 N ATOM 60 CA MET A 6 13.839 10.369 1.269 1.00 0.00 C ATOM 61 C MET A 6 12.868 9.193 1.289 1.00 0.00 C ATOM 62 O MET A 6 12.857 8.368 0.375 1.00 0.00 O ATOM 63 CB MET A 6 13.154 11.600 0.675 1.00 0.00 C ATOM 64 CG MET A 6 12.093 12.203 1.581 1.00 0.00 C ATOM 65 SD MET A 6 12.125 14.006 1.591 1.00 0.00 S ATOM 66 CE MET A 6 10.558 14.370 2.378 1.00 0.00 C ATOM 0 H MET A 6 14.861 9.585 -0.386 1.00 0.00 H new ATOM 0 HA MET A 6 14.138 10.587 2.294 1.00 0.00 H new ATOM 0 HB2 MET A 6 13.908 12.357 0.460 1.00 0.00 H new ATOM 0 HB3 MET A 6 12.696 11.327 -0.276 1.00 0.00 H new ATOM 0 HG2 MET A 6 11.109 11.863 1.257 1.00 0.00 H new ATOM 0 HG3 MET A 6 12.238 11.836 2.597 1.00 0.00 H new ATOM 0 HE1 MET A 6 10.551 15.407 2.713 1.00 0.00 H new ATOM 0 HE2 MET A 6 9.748 14.213 1.666 1.00 0.00 H new ATOM 0 HE3 MET A 6 10.420 13.711 3.235 1.00 0.00 H new ATOM 76 N ALA A 7 12.056 9.122 2.339 1.00 0.00 N ATOM 77 CA ALA A 7 11.081 8.047 2.479 1.00 0.00 C ATOM 78 C ALA A 7 9.709 8.591 2.859 1.00 0.00 C ATOM 79 O ALA A 7 8.923 7.911 3.520 1.00 0.00 O ATOM 80 CB ALA A 7 11.556 7.040 3.515 1.00 0.00 C ATOM 0 H ALA A 7 12.054 9.796 3.105 1.00 0.00 H new ATOM 0 HA ALA A 7 10.988 7.548 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.820 6.242 3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.510 6.617 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.679 7.538 4.477 1.00 0.00 H new ATOM 86 N ASP A 8 9.422 9.819 2.436 1.00 0.00 N ATOM 87 CA ASP A 8 8.137 10.446 2.733 1.00 0.00 C ATOM 88 C ASP A 8 6.984 9.592 2.209 1.00 0.00 C ATOM 89 O ASP A 8 5.848 9.721 2.668 1.00 0.00 O ATOM 90 CB ASP A 8 8.076 11.851 2.129 1.00 0.00 C ATOM 91 CG ASP A 8 7.949 12.931 3.184 1.00 0.00 C ATOM 92 OD1 ASP A 8 8.417 12.707 4.321 1.00 0.00 O ATOM 93 OD2 ASP A 8 7.382 14.000 2.875 1.00 0.00 O ATOM 0 H ASP A 8 10.059 10.398 1.889 1.00 0.00 H new ATOM 0 HA ASP A 8 8.039 10.527 3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.975 12.028 1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.229 11.913 1.446 1.00 0.00 H new ATOM 98 N LYS A 9 7.278 8.729 1.239 1.00 0.00 N ATOM 99 CA LYS A 9 6.277 7.872 0.647 1.00 0.00 C ATOM 100 C LYS A 9 6.056 6.610 1.459 1.00 0.00 C ATOM 101 O LYS A 9 6.832 6.281 2.356 1.00 0.00 O ATOM 102 CB LYS A 9 6.719 7.478 -0.754 1.00 0.00 C ATOM 103 CG LYS A 9 6.646 8.603 -1.764 1.00 0.00 C ATOM 104 CD LYS A 9 7.827 9.550 -1.644 1.00 0.00 C ATOM 105 CE LYS A 9 7.531 10.702 -0.705 1.00 0.00 C ATOM 106 NZ LYS A 9 7.328 11.982 -1.437 1.00 0.00 N ATOM 0 H LYS A 9 8.213 8.611 0.850 1.00 0.00 H new ATOM 0 HA LYS A 9 5.340 8.429 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.744 7.110 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.098 6.652 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.616 8.186 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.719 9.159 -1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.697 9.002 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.082 9.940 -2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.640 10.473 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.354 10.815 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.128 12.743 -0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.187 12.215 -1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.526 11.884 -2.092 1.00 0.00 H new ATOM 120 N ILE A 10 4.994 5.900 1.110 1.00 0.00 N ATOM 121 CA ILE A 10 4.656 4.652 1.769 1.00 0.00 C ATOM 122 C ILE A 10 4.868 3.514 0.809 1.00 0.00 C ATOM 123 O ILE A 10 4.484 3.587 -0.356 1.00 0.00 O ATOM 124 CB ILE A 10 3.197 4.590 2.258 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.664 5.988 2.553 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.083 3.704 3.488 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.171 6.023 2.761 1.00 0.00 C ATOM 0 H ILE A 10 4.348 6.171 0.368 1.00 0.00 H new ATOM 0 HA ILE A 10 5.303 4.581 2.643 1.00 0.00 H new ATOM 0 HB ILE A 10 2.590 4.156 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.158 6.378 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.925 6.651 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.045 3.673 3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.416 2.696 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.706 4.108 4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.856 7.046 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.670 5.663 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.906 5.385 3.604 1.00 0.00 H new ATOM 139 N LYS A 11 5.470 2.468 1.305 1.00 0.00 N ATOM 140 CA LYS A 11 5.733 1.301 0.496 1.00 0.00 C ATOM 141 C LYS A 11 4.816 0.180 0.931 1.00 0.00 C ATOM 142 O LYS A 11 5.150 -0.588 1.821 1.00 0.00 O ATOM 143 CB LYS A 11 7.203 0.900 0.619 1.00 0.00 C ATOM 144 CG LYS A 11 8.152 2.095 0.594 1.00 0.00 C ATOM 145 CD LYS A 11 9.266 1.946 1.616 1.00 0.00 C ATOM 146 CE LYS A 11 10.500 1.303 1.001 1.00 0.00 C ATOM 147 NZ LYS A 11 11.735 2.080 1.295 1.00 0.00 N ATOM 0 H LYS A 11 5.791 2.396 2.271 1.00 0.00 H new ATOM 0 HA LYS A 11 5.537 1.522 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.347 0.348 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.459 0.223 -0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.583 2.198 -0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.593 3.009 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.526 2.925 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.916 1.340 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.610 0.288 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.369 1.224 -0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.553 1.609 0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.641 3.041 0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.875 2.134 2.324 1.00 0.00 H new ATOM 161 N CYS A 12 3.642 0.117 0.309 1.00 0.00 N ATOM 162 CA CYS A 12 2.650 -0.895 0.643 1.00 0.00 C ATOM 163 C CYS A 12 2.099 -1.552 -0.623 1.00 0.00 C ATOM 164 O CYS A 12 2.521 -1.227 -1.729 1.00 0.00 O ATOM 165 CB CYS A 12 1.519 -0.291 1.486 1.00 0.00 C ATOM 166 SG CYS A 12 2.078 0.831 2.785 1.00 0.00 S ATOM 0 H CYS A 12 3.356 0.758 -0.431 1.00 0.00 H new ATOM 0 HA CYS A 12 3.137 -1.667 1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.837 0.246 0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.949 -1.101 1.942 1.00 0.00 H new ATOM 0 HG CYS A 12 1.050 1.287 3.436 1.00 0.00 H new ATOM 172 N SER A 13 1.175 -2.492 -0.452 1.00 0.00 N ATOM 173 CA SER A 13 0.573 -3.201 -1.580 1.00 0.00 C ATOM 174 C SER A 13 -0.949 -3.212 -1.450 1.00 0.00 C ATOM 175 O SER A 13 -1.481 -2.936 -0.376 1.00 0.00 O ATOM 176 CB SER A 13 1.107 -4.633 -1.662 1.00 0.00 C ATOM 177 OG SER A 13 2.308 -4.685 -2.410 1.00 0.00 O ATOM 0 H SER A 13 0.824 -2.783 0.461 1.00 0.00 H new ATOM 0 HA SER A 13 0.842 -2.678 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.283 -5.017 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.359 -5.278 -2.123 1.00 0.00 H new ATOM 0 HG SER A 13 2.218 -5.345 -3.128 1.00 0.00 H new ATOM 183 N HIS A 14 -1.651 -3.518 -2.542 1.00 0.00 N ATOM 184 CA HIS A 14 -3.113 -3.538 -2.511 1.00 0.00 C ATOM 185 C HIS A 14 -3.710 -4.795 -3.139 1.00 0.00 C ATOM 186 O HIS A 14 -3.085 -5.455 -3.970 1.00 0.00 O ATOM 187 CB HIS A 14 -3.675 -2.294 -3.203 1.00 0.00 C ATOM 188 CG HIS A 14 -3.416 -2.251 -4.680 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.686 -3.212 -5.350 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.800 -1.353 -5.619 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.631 -2.904 -6.635 1.00 0.00 C ATOM 192 NE2 HIS A 14 -3.298 -1.782 -6.822 1.00 0.00 N ATOM 0 H HIS A 14 -1.239 -3.752 -3.445 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.400 -3.542 -1.459 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.750 -2.249 -3.031 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.241 -1.407 -2.742 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.256 -4.032 -4.921 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.391 -0.465 -5.452 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.126 -3.474 -7.401 1.00 0.00 H new ATOM 201 N ILE A 15 -4.936 -5.106 -2.718 1.00 0.00 N ATOM 202 CA ILE A 15 -5.668 -6.273 -3.204 1.00 0.00 C ATOM 203 C ILE A 15 -7.152 -5.929 -3.374 1.00 0.00 C ATOM 204 O ILE A 15 -7.820 -5.544 -2.415 1.00 0.00 O ATOM 205 CB ILE A 15 -5.506 -7.468 -2.230 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.241 -8.252 -2.574 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.722 -8.391 -2.254 1.00 0.00 C ATOM 208 CD1 ILE A 15 -2.966 -7.564 -2.146 1.00 0.00 C ATOM 0 H ILE A 15 -5.449 -4.555 -2.030 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.256 -6.560 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.421 -7.065 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.291 -9.232 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.209 -8.420 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.567 -9.215 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.610 -7.831 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.858 -8.787 -3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.110 -8.179 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.892 -6.595 -2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.975 -7.420 -1.066 1.00 0.00 H new ATOM 220 N LEU A 16 -7.656 -6.058 -4.598 1.00 0.00 N ATOM 221 CA LEU A 16 -9.053 -5.745 -4.885 1.00 0.00 C ATOM 222 C LEU A 16 -9.898 -7.003 -5.056 1.00 0.00 C ATOM 223 O LEU A 16 -9.566 -7.880 -5.852 1.00 0.00 O ATOM 224 CB LEU A 16 -9.157 -4.896 -6.155 1.00 0.00 C ATOM 225 CG LEU A 16 -9.505 -3.429 -5.926 1.00 0.00 C ATOM 226 CD1 LEU A 16 -9.245 -2.617 -7.184 1.00 0.00 C ATOM 227 CD2 LEU A 16 -10.956 -3.290 -5.490 1.00 0.00 C ATOM 0 H LEU A 16 -7.120 -6.376 -5.405 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.437 -5.189 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.207 -4.949 -6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.913 -5.335 -6.806 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.867 -3.042 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.499 -1.573 -7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.192 -2.692 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.858 -3.003 -7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.189 -2.237 -5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.609 -3.693 -6.264 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.111 -3.840 -4.562 1.00 0.00 H new ATOM 239 N VAL A 17 -11.007 -7.067 -4.328 1.00 0.00 N ATOM 240 CA VAL A 17 -11.923 -8.195 -4.420 1.00 0.00 C ATOM 241 C VAL A 17 -13.365 -7.703 -4.356 1.00 0.00 C ATOM 242 O VAL A 17 -13.705 -6.866 -3.520 1.00 0.00 O ATOM 243 CB VAL A 17 -11.673 -9.227 -3.300 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.221 -9.687 -3.314 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.046 -8.657 -1.939 1.00 0.00 C ATOM 0 H VAL A 17 -11.293 -6.347 -3.665 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.745 -8.688 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.310 -10.092 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.062 -10.414 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.994 -10.147 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.566 -8.830 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.860 -9.405 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.444 -7.771 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.102 -8.386 -1.935 1.00 0.00 H new ATOM 255 N LYS A 18 -14.212 -8.207 -5.251 1.00 0.00 N ATOM 256 CA LYS A 18 -15.609 -7.785 -5.280 1.00 0.00 C ATOM 257 C LYS A 18 -16.369 -8.347 -4.088 1.00 0.00 C ATOM 258 O LYS A 18 -17.222 -7.670 -3.510 1.00 0.00 O ATOM 259 CB LYS A 18 -16.273 -8.223 -6.586 1.00 0.00 C ATOM 260 CG LYS A 18 -16.034 -9.685 -6.932 1.00 0.00 C ATOM 261 CD LYS A 18 -15.351 -9.837 -8.283 1.00 0.00 C ATOM 262 CE LYS A 18 -16.365 -9.981 -9.406 1.00 0.00 C ATOM 263 NZ LYS A 18 -16.860 -11.379 -9.533 1.00 0.00 N ATOM 0 H LYS A 18 -13.960 -8.899 -5.957 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.636 -6.697 -5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.346 -8.046 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -15.901 -7.600 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.419 -10.147 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.985 -10.217 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.718 -8.970 -8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.699 -10.710 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.207 -9.313 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.911 -9.670 -10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.549 -11.434 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.061 -12.013 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.316 -11.668 -8.644 1.00 0.00 H new ATOM 277 N LYS A 19 -16.037 -9.570 -3.699 1.00 0.00 N ATOM 278 CA LYS A 19 -16.667 -10.195 -2.556 1.00 0.00 C ATOM 279 C LYS A 19 -16.157 -9.522 -1.286 1.00 0.00 C ATOM 280 O LYS A 19 -15.262 -10.024 -0.607 1.00 0.00 O ATOM 281 CB LYS A 19 -16.393 -11.700 -2.555 1.00 0.00 C ATOM 282 CG LYS A 19 -15.028 -12.096 -3.105 1.00 0.00 C ATOM 283 CD LYS A 19 -14.490 -13.344 -2.421 1.00 0.00 C ATOM 284 CE LYS A 19 -14.459 -14.532 -3.370 1.00 0.00 C ATOM 285 NZ LYS A 19 -13.838 -15.731 -2.740 1.00 0.00 N ATOM 0 H LYS A 19 -15.334 -10.146 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.749 -10.069 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -16.481 -12.071 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.165 -12.197 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.105 -12.273 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.327 -11.273 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.485 -13.150 -2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.111 -13.583 -1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.475 -14.772 -3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.902 -14.265 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.836 -16.518 -3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.860 -15.510 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.384 -16.002 -1.897 1.00 0.00 H new ATOM 299 N GLN A 20 -16.717 -8.347 -1.012 1.00 0.00 N ATOM 300 CA GLN A 20 -16.322 -7.527 0.130 1.00 0.00 C ATOM 301 C GLN A 20 -16.205 -8.321 1.421 1.00 0.00 C ATOM 302 O GLN A 20 -15.451 -7.937 2.315 1.00 0.00 O ATOM 303 CB GLN A 20 -17.316 -6.382 0.320 1.00 0.00 C ATOM 304 CG GLN A 20 -18.771 -6.818 0.244 1.00 0.00 C ATOM 305 CD GLN A 20 -19.476 -6.736 1.584 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.927 -5.667 1.997 1.00 0.00 O ATOM 307 NE2 GLN A 20 -19.575 -7.867 2.272 1.00 0.00 N ATOM 0 H GLN A 20 -17.460 -7.935 -1.577 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.331 -7.134 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.136 -5.913 1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.133 -5.623 -0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.296 -6.192 -0.478 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.821 -7.842 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.187 -8.731 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.039 -7.872 3.180 1.00 0.00 H new ATOM 316 N GLY A 21 -16.929 -9.423 1.529 1.00 0.00 N ATOM 317 CA GLY A 21 -16.842 -10.210 2.738 1.00 0.00 C ATOM 318 C GLY A 21 -15.477 -10.842 2.871 1.00 0.00 C ATOM 319 O GLY A 21 -14.969 -11.025 3.978 1.00 0.00 O ATOM 0 H GLY A 21 -17.564 -9.781 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.041 -9.578 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.607 -10.986 2.728 1.00 0.00 H new ATOM 323 N GLU A 22 -14.870 -11.146 1.733 1.00 0.00 N ATOM 324 CA GLU A 22 -13.543 -11.733 1.714 1.00 0.00 C ATOM 325 C GLU A 22 -12.507 -10.710 2.155 1.00 0.00 C ATOM 326 O GLU A 22 -11.571 -11.029 2.884 1.00 0.00 O ATOM 327 CB GLU A 22 -13.221 -12.255 0.312 1.00 0.00 C ATOM 328 CG GLU A 22 -12.797 -11.194 -0.686 1.00 0.00 C ATOM 329 CD GLU A 22 -11.469 -11.516 -1.342 1.00 0.00 C ATOM 330 OE1 GLU A 22 -11.467 -12.276 -2.334 1.00 0.00 O ATOM 331 OE2 GLU A 22 -10.432 -11.014 -0.864 1.00 0.00 O ATOM 0 H GLU A 22 -15.278 -10.995 0.811 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.517 -12.570 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.426 -12.997 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.099 -12.769 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.564 -11.094 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.725 -10.231 -0.180 1.00 0.00 H new ATOM 338 N ALA A 23 -12.697 -9.473 1.708 1.00 0.00 N ATOM 339 CA ALA A 23 -11.793 -8.386 2.058 1.00 0.00 C ATOM 340 C ALA A 23 -11.581 -8.350 3.568 1.00 0.00 C ATOM 341 O ALA A 23 -10.478 -8.099 4.052 1.00 0.00 O ATOM 342 CB ALA A 23 -12.346 -7.056 1.552 1.00 0.00 C ATOM 0 H ALA A 23 -13.470 -9.199 1.102 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.828 -8.556 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.661 -6.252 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.453 -7.095 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.319 -6.870 2.006 1.00 0.00 H new ATOM 348 N LEU A 24 -12.657 -8.621 4.305 1.00 0.00 N ATOM 349 CA LEU A 24 -12.617 -8.644 5.763 1.00 0.00 C ATOM 350 C LEU A 24 -11.897 -9.888 6.277 1.00 0.00 C ATOM 351 O LEU A 24 -11.313 -9.876 7.359 1.00 0.00 O ATOM 352 CB LEU A 24 -14.037 -8.591 6.335 1.00 0.00 C ATOM 353 CG LEU A 24 -14.171 -7.868 7.677 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.541 -8.691 8.790 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.539 -6.485 7.608 1.00 0.00 C ATOM 0 H LEU A 24 -13.574 -8.829 3.910 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.063 -7.766 6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.686 -8.100 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.403 -9.611 6.452 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.232 -7.747 7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.645 -8.162 9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.042 -9.657 8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.484 -8.845 8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.645 -5.988 8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.481 -6.580 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.038 -5.895 6.839 1.00 0.00 H new ATOM 367 N ALA A 25 -11.967 -10.969 5.508 1.00 0.00 N ATOM 368 CA ALA A 25 -11.337 -12.225 5.896 1.00 0.00 C ATOM 369 C ALA A 25 -9.864 -12.257 5.504 1.00 0.00 C ATOM 370 O ALA A 25 -9.012 -12.688 6.282 1.00 0.00 O ATOM 371 CB ALA A 25 -12.076 -13.397 5.267 1.00 0.00 C ATOM 0 H ALA A 25 -12.454 -11.000 4.612 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.393 -12.307 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.597 -14.330 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.112 -13.397 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.049 -13.304 4.181 1.00 0.00 H new ATOM 377 N VAL A 26 -9.571 -11.804 4.290 1.00 0.00 N ATOM 378 CA VAL A 26 -8.202 -11.785 3.788 1.00 0.00 C ATOM 379 C VAL A 26 -7.278 -11.032 4.733 1.00 0.00 C ATOM 380 O VAL A 26 -6.150 -11.448 4.966 1.00 0.00 O ATOM 381 CB VAL A 26 -8.113 -11.159 2.376 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.251 -11.653 1.495 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.107 -9.638 2.449 1.00 0.00 C ATOM 0 H VAL A 26 -10.265 -11.444 3.634 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.881 -12.825 3.726 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.171 -11.476 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.169 -11.200 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.195 -12.738 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.205 -11.375 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.044 -9.226 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.025 -9.293 2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.248 -9.305 3.032 1.00 0.00 H new ATOM 393 N GLN A 27 -7.758 -9.918 5.275 1.00 0.00 N ATOM 394 CA GLN A 27 -6.953 -9.122 6.191 1.00 0.00 C ATOM 395 C GLN A 27 -6.415 -9.989 7.331 1.00 0.00 C ATOM 396 O GLN A 27 -5.212 -10.013 7.587 1.00 0.00 O ATOM 397 CB GLN A 27 -7.767 -7.937 6.732 1.00 0.00 C ATOM 398 CG GLN A 27 -8.863 -8.324 7.707 1.00 0.00 C ATOM 399 CD GLN A 27 -9.561 -7.119 8.311 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.899 -6.147 7.472 1.00 0.00 O flip ATOM 401 NE2 GLN A 27 -9.794 -7.065 9.519 1.00 0.00 N flip ATOM 0 H GLN A 27 -8.692 -9.549 5.097 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.099 -8.723 5.644 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.089 -7.240 7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.215 -7.406 5.892 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.597 -8.945 7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.436 -8.930 8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.516 -7.836 10.127 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.265 -6.250 9.912 1.00 0.00 H new ATOM 410 N GLU A 28 -7.310 -10.709 8.001 1.00 0.00 N ATOM 411 CA GLU A 28 -6.925 -11.590 9.097 1.00 0.00 C ATOM 412 C GLU A 28 -6.222 -12.843 8.572 1.00 0.00 C ATOM 413 O GLU A 28 -5.363 -13.416 9.240 1.00 0.00 O ATOM 414 CB GLU A 28 -8.166 -11.967 9.924 1.00 0.00 C ATOM 415 CG GLU A 28 -8.210 -13.422 10.369 1.00 0.00 C ATOM 416 CD GLU A 28 -9.280 -13.681 11.412 1.00 0.00 C ATOM 417 OE1 GLU A 28 -9.531 -12.781 12.240 1.00 0.00 O ATOM 418 OE2 GLU A 28 -9.865 -14.785 11.399 1.00 0.00 O ATOM 0 H GLU A 28 -8.310 -10.699 7.802 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.221 -11.060 9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.206 -11.329 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.058 -11.753 9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.391 -14.058 9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.238 -13.704 10.773 1.00 0.00 H new ATOM 425 N ARG A 29 -6.617 -13.268 7.377 1.00 0.00 N ATOM 426 CA ARG A 29 -6.057 -14.462 6.751 1.00 0.00 C ATOM 427 C ARG A 29 -4.665 -14.199 6.176 1.00 0.00 C ATOM 428 O ARG A 29 -3.858 -15.118 6.034 1.00 0.00 O ATOM 429 CB ARG A 29 -7.004 -14.941 5.646 1.00 0.00 C ATOM 430 CG ARG A 29 -6.504 -16.145 4.867 1.00 0.00 C ATOM 431 CD ARG A 29 -7.064 -17.445 5.424 1.00 0.00 C ATOM 432 NE ARG A 29 -8.511 -17.545 5.237 1.00 0.00 N ATOM 433 CZ ARG A 29 -9.410 -17.245 6.175 1.00 0.00 C ATOM 434 NH1 ARG A 29 -9.025 -16.816 7.370 1.00 0.00 N ATOM 435 NH2 ARG A 29 -10.703 -17.373 5.912 1.00 0.00 N ATOM 0 H ARG A 29 -7.329 -12.799 6.818 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.953 -15.234 7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.968 -15.187 6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.175 -14.120 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.789 -16.045 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.415 -16.174 4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.576 -18.288 4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.830 -17.514 6.486 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.854 -17.865 4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.032 -16.713 7.579 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.722 -16.590 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.007 -17.700 4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.394 -17.145 6.627 1.00 0.00 H new ATOM 449 N LEU A 30 -4.395 -12.945 5.841 1.00 0.00 N ATOM 450 CA LEU A 30 -3.110 -12.561 5.272 1.00 0.00 C ATOM 451 C LEU A 30 -1.957 -12.918 6.208 1.00 0.00 C ATOM 452 O LEU A 30 -0.967 -13.513 5.787 1.00 0.00 O ATOM 453 CB LEU A 30 -3.106 -11.061 4.967 1.00 0.00 C ATOM 454 CG LEU A 30 -2.088 -10.614 3.921 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.675 -10.953 4.374 1.00 0.00 C ATOM 456 CD2 LEU A 30 -2.391 -11.255 2.572 1.00 0.00 C ATOM 0 H LEU A 30 -5.052 -12.173 5.954 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.967 -13.117 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.101 -10.772 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.914 -10.519 5.893 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.160 -9.532 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.038 -10.627 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.463 -10.445 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.587 -12.030 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.655 -10.925 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.347 -12.340 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.388 -10.959 2.244 1.00 0.00 H new ATOM 468 N LYS A 31 -2.095 -12.555 7.478 1.00 0.00 N ATOM 469 CA LYS A 31 -1.065 -12.842 8.473 1.00 0.00 C ATOM 470 C LYS A 31 -1.020 -14.328 8.816 1.00 0.00 C ATOM 471 O LYS A 31 -0.112 -14.783 9.512 1.00 0.00 O ATOM 472 CB LYS A 31 -1.310 -12.031 9.744 1.00 0.00 C ATOM 473 CG LYS A 31 -2.743 -12.105 10.246 1.00 0.00 C ATOM 474 CD LYS A 31 -3.485 -10.794 10.028 1.00 0.00 C ATOM 475 CE LYS A 31 -4.052 -10.248 11.328 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.468 -8.824 11.199 1.00 0.00 N ATOM 0 H LYS A 31 -2.909 -12.062 7.844 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.105 -12.559 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.641 -12.387 10.527 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.053 -10.989 9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.268 -12.910 9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.744 -12.352 11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.808 -10.061 9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.294 -10.948 9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.908 -10.850 11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.304 -10.338 12.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.623 -8.421 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.722 -8.287 10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.349 -8.768 10.650 1.00 0.00 H new ATOM 490 N ALA A 32 -2.006 -15.082 8.336 1.00 0.00 N ATOM 491 CA ALA A 32 -2.073 -16.509 8.610 1.00 0.00 C ATOM 492 C ALA A 32 -0.798 -17.221 8.169 1.00 0.00 C ATOM 493 O ALA A 32 -0.485 -18.309 8.651 1.00 0.00 O ATOM 494 CB ALA A 32 -3.285 -17.120 7.922 1.00 0.00 C ATOM 0 H ALA A 32 -2.767 -14.726 7.757 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.172 -16.640 9.688 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.324 -18.188 8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.192 -16.643 8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.208 -16.967 6.846 1.00 0.00 H new ATOM 500 N GLY A 33 -0.071 -16.603 7.245 1.00 0.00 N ATOM 501 CA GLY A 33 1.150 -17.191 6.749 1.00 0.00 C ATOM 502 C GLY A 33 1.297 -17.045 5.247 1.00 0.00 C ATOM 503 O GLY A 33 2.362 -17.319 4.694 1.00 0.00 O ATOM 0 H GLY A 33 -0.310 -15.702 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.002 -16.722 7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.173 -18.249 7.012 1.00 0.00 H new ATOM 507 N GLU A 34 0.226 -16.619 4.583 1.00 0.00 N ATOM 508 CA GLU A 34 0.249 -16.443 3.135 1.00 0.00 C ATOM 509 C GLU A 34 0.937 -15.139 2.755 1.00 0.00 C ATOM 510 O GLU A 34 0.952 -14.182 3.530 1.00 0.00 O ATOM 511 CB GLU A 34 -1.173 -16.469 2.572 1.00 0.00 C ATOM 512 CG GLU A 34 -2.125 -15.513 3.274 1.00 0.00 C ATOM 513 CD GLU A 34 -3.452 -15.376 2.553 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.615 -15.998 1.481 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.331 -14.647 3.060 1.00 0.00 O ATOM 0 H GLU A 34 -0.665 -16.390 5.023 1.00 0.00 H new ATOM 0 HA GLU A 34 0.816 -17.269 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.139 -16.221 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.567 -17.482 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.303 -15.864 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.656 -14.532 3.353 1.00 0.00 H new ATOM 522 N LYS A 35 1.507 -15.106 1.554 1.00 0.00 N ATOM 523 CA LYS A 35 2.197 -13.918 1.067 1.00 0.00 C ATOM 524 C LYS A 35 1.215 -12.949 0.421 1.00 0.00 C ATOM 525 O LYS A 35 0.347 -13.354 -0.352 1.00 0.00 O ATOM 526 CB LYS A 35 3.286 -14.307 0.067 1.00 0.00 C ATOM 527 CG LYS A 35 4.536 -13.447 0.164 1.00 0.00 C ATOM 528 CD LYS A 35 5.557 -14.051 1.116 1.00 0.00 C ATOM 529 CE LYS A 35 5.283 -13.650 2.556 1.00 0.00 C ATOM 530 NZ LYS A 35 6.539 -13.344 3.297 1.00 0.00 N ATOM 0 H LYS A 35 1.504 -15.889 0.901 1.00 0.00 H new ATOM 0 HA LYS A 35 2.662 -13.422 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.559 -15.350 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.883 -14.235 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.980 -13.337 -0.825 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.266 -12.448 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.538 -15.137 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.558 -13.726 0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.631 -12.777 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.750 -14.455 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.308 -13.075 4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.151 -14.185 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.035 -12.559 2.830 1.00 0.00 H new ATOM 544 N PHE A 36 1.358 -11.668 0.745 1.00 0.00 N ATOM 545 CA PHE A 36 0.482 -10.639 0.198 1.00 0.00 C ATOM 546 C PHE A 36 0.443 -10.700 -1.326 1.00 0.00 C ATOM 547 O PHE A 36 -0.628 -10.675 -1.932 1.00 0.00 O ATOM 548 CB PHE A 36 0.945 -9.255 0.648 1.00 0.00 C ATOM 549 CG PHE A 36 -0.153 -8.234 0.635 1.00 0.00 C ATOM 550 CD1 PHE A 36 -1.197 -8.318 1.539 1.00 0.00 C ATOM 551 CD2 PHE A 36 -0.146 -7.199 -0.280 1.00 0.00 C ATOM 552 CE1 PHE A 36 -2.216 -7.387 1.532 1.00 0.00 C ATOM 553 CE2 PHE A 36 -1.162 -6.264 -0.293 1.00 0.00 C ATOM 554 CZ PHE A 36 -2.199 -6.357 0.615 1.00 0.00 C ATOM 0 H PHE A 36 2.072 -11.318 1.384 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.524 -10.823 0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.355 -9.326 1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.753 -8.919 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.215 -9.122 2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.662 -7.120 -0.992 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.025 -7.465 2.243 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.146 -5.460 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.994 -5.626 0.607 1.00 0.00 H new ATOM 564 N GLY A 37 1.618 -10.783 -1.937 1.00 0.00 N ATOM 565 CA GLY A 37 1.698 -10.849 -3.384 1.00 0.00 C ATOM 566 C GLY A 37 0.903 -12.008 -3.950 1.00 0.00 C ATOM 567 O GLY A 37 0.333 -11.909 -5.036 1.00 0.00 O ATOM 0 H GLY A 37 2.517 -10.806 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.329 -9.916 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.741 -10.946 -3.684 1.00 0.00 H new ATOM 571 N LYS A 38 0.863 -13.111 -3.209 1.00 0.00 N ATOM 572 CA LYS A 38 0.129 -14.296 -3.635 1.00 0.00 C ATOM 573 C LYS A 38 -1.347 -13.974 -3.847 1.00 0.00 C ATOM 574 O LYS A 38 -1.917 -14.296 -4.889 1.00 0.00 O ATOM 575 CB LYS A 38 0.275 -15.409 -2.597 1.00 0.00 C ATOM 576 CG LYS A 38 -0.348 -16.728 -3.029 1.00 0.00 C ATOM 577 CD LYS A 38 0.712 -17.785 -3.294 1.00 0.00 C ATOM 578 CE LYS A 38 0.804 -18.780 -2.148 1.00 0.00 C ATOM 579 NZ LYS A 38 2.192 -19.293 -1.968 1.00 0.00 N ATOM 0 H LYS A 38 1.332 -13.208 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 38 0.549 -14.633 -4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.334 -15.567 -2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.186 -15.087 -1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.029 -17.081 -2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.942 -16.573 -3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.478 -18.313 -4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.679 -17.304 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.470 -18.304 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.130 -19.615 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.213 -19.968 -1.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.502 -19.770 -2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.832 -18.499 -1.762 1.00 0.00 H new ATOM 593 N LEU A 39 -1.954 -13.334 -2.852 1.00 0.00 N ATOM 594 CA LEU A 39 -3.366 -12.962 -2.921 1.00 0.00 C ATOM 595 C LEU A 39 -3.657 -12.176 -4.193 1.00 0.00 C ATOM 596 O LEU A 39 -4.741 -12.280 -4.764 1.00 0.00 O ATOM 597 CB LEU A 39 -3.768 -12.111 -1.709 1.00 0.00 C ATOM 598 CG LEU A 39 -3.809 -12.835 -0.355 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.787 -13.996 -0.393 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.425 -13.316 0.052 1.00 0.00 C ATOM 0 H LEU A 39 -1.490 -13.061 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.946 -13.885 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.071 -11.277 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.754 -11.686 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.152 -12.121 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.799 -14.494 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.785 -13.623 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.480 -14.706 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.485 -13.825 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.044 -14.007 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.753 -12.462 0.134 1.00 0.00 H new ATOM 612 N ALA A 40 -2.681 -11.388 -4.639 1.00 0.00 N ATOM 613 CA ALA A 40 -2.843 -10.581 -5.843 1.00 0.00 C ATOM 614 C ALA A 40 -3.335 -11.441 -6.999 1.00 0.00 C ATOM 615 O ALA A 40 -4.355 -11.148 -7.620 1.00 0.00 O ATOM 616 CB ALA A 40 -1.528 -9.908 -6.206 1.00 0.00 C ATOM 0 H ALA A 40 -1.773 -11.292 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.588 -9.810 -5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.662 -9.309 -7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.210 -9.264 -5.386 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.768 -10.668 -6.386 1.00 0.00 H new ATOM 622 N LYS A 41 -2.606 -12.513 -7.268 1.00 0.00 N ATOM 623 CA LYS A 41 -2.961 -13.437 -8.331 1.00 0.00 C ATOM 624 C LYS A 41 -3.956 -14.486 -7.836 1.00 0.00 C ATOM 625 O LYS A 41 -4.673 -15.096 -8.629 1.00 0.00 O ATOM 626 CB LYS A 41 -1.708 -14.124 -8.877 1.00 0.00 C ATOM 627 CG LYS A 41 -0.933 -14.904 -7.826 1.00 0.00 C ATOM 628 CD LYS A 41 -0.254 -16.123 -8.427 1.00 0.00 C ATOM 629 CE LYS A 41 1.035 -16.460 -7.694 1.00 0.00 C ATOM 630 NZ LYS A 41 0.775 -17.120 -6.385 1.00 0.00 N ATOM 0 H LYS A 41 -1.758 -12.765 -6.759 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.433 -12.866 -9.130 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.997 -14.802 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.053 -13.371 -9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.184 -14.257 -7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.610 -15.218 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.931 -16.976 -8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.038 -15.939 -9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.645 -17.115 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.610 -15.548 -7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.679 -17.333 -5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.215 -16.485 -5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.249 -18.004 -6.540 1.00 0.00 H new ATOM 644 N GLU A 42 -3.968 -14.719 -6.523 1.00 0.00 N ATOM 645 CA GLU A 42 -4.842 -15.730 -5.934 1.00 0.00 C ATOM 646 C GLU A 42 -6.323 -15.329 -5.968 1.00 0.00 C ATOM 647 O GLU A 42 -7.111 -15.950 -6.681 1.00 0.00 O ATOM 648 CB GLU A 42 -4.398 -16.024 -4.498 1.00 0.00 C ATOM 649 CG GLU A 42 -3.828 -17.420 -4.315 1.00 0.00 C ATOM 650 CD GLU A 42 -4.273 -18.068 -3.018 1.00 0.00 C ATOM 651 OE1 GLU A 42 -4.059 -17.461 -1.948 1.00 0.00 O ATOM 652 OE2 GLU A 42 -4.836 -19.182 -3.072 1.00 0.00 O ATOM 0 H GLU A 42 -3.384 -14.222 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.751 -16.631 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.647 -15.292 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.249 -15.897 -3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.134 -18.046 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.739 -17.369 -4.336 1.00 0.00 H new ATOM 659 N LEU A 43 -6.711 -14.306 -5.202 1.00 0.00 N ATOM 660 CA LEU A 43 -8.115 -13.880 -5.186 1.00 0.00 C ATOM 661 C LEU A 43 -8.299 -12.439 -5.658 1.00 0.00 C ATOM 662 O LEU A 43 -9.417 -12.027 -5.966 1.00 0.00 O ATOM 663 CB LEU A 43 -8.747 -14.050 -3.796 1.00 0.00 C ATOM 664 CG LEU A 43 -7.819 -13.854 -2.593 1.00 0.00 C ATOM 665 CD1 LEU A 43 -6.886 -15.042 -2.440 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.032 -12.557 -2.716 1.00 0.00 C ATOM 0 H LEU A 43 -6.090 -13.767 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.628 -14.534 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.573 -13.344 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.176 -15.050 -3.736 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.435 -13.786 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.235 -14.885 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.473 -15.948 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.280 -15.147 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.381 -12.443 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.427 -12.583 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.723 -11.715 -2.765 1.00 0.00 H new ATOM 678 N SER A 44 -7.218 -11.666 -5.708 1.00 0.00 N ATOM 679 CA SER A 44 -7.317 -10.278 -6.137 1.00 0.00 C ATOM 680 C SER A 44 -7.767 -10.179 -7.589 1.00 0.00 C ATOM 681 O SER A 44 -7.316 -10.937 -8.448 1.00 0.00 O ATOM 682 CB SER A 44 -5.973 -9.574 -5.961 1.00 0.00 C ATOM 683 OG SER A 44 -6.120 -8.339 -5.280 1.00 0.00 O ATOM 0 H SER A 44 -6.277 -11.973 -5.460 1.00 0.00 H new ATOM 0 HA SER A 44 -8.065 -9.788 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.293 -10.219 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.521 -9.401 -6.938 1.00 0.00 H new ATOM 0 HG SER A 44 -5.728 -7.620 -5.818 1.00 0.00 H new ATOM 689 N ILE A 45 -8.660 -9.230 -7.852 1.00 0.00 N ATOM 690 CA ILE A 45 -9.183 -9.015 -9.197 1.00 0.00 C ATOM 691 C ILE A 45 -8.474 -7.851 -9.885 1.00 0.00 C ATOM 692 O ILE A 45 -8.641 -7.634 -11.086 1.00 0.00 O ATOM 693 CB ILE A 45 -10.697 -8.730 -9.173 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.024 -7.700 -8.092 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.475 -10.016 -8.940 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.131 -6.744 -8.476 1.00 0.00 C ATOM 0 H ILE A 45 -9.038 -8.595 -7.149 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.000 -9.933 -9.756 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.991 -8.322 -10.140 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.308 -8.223 -7.179 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.125 -7.128 -7.864 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.543 -9.798 -8.926 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.260 -10.722 -9.742 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.181 -10.451 -7.985 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.306 -6.044 -7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.842 -6.193 -9.371 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.044 -7.305 -8.675 1.00 0.00 H new ATOM 708 N ASP A 46 -7.679 -7.110 -9.116 1.00 0.00 N ATOM 709 CA ASP A 46 -6.935 -5.971 -9.644 1.00 0.00 C ATOM 710 C ASP A 46 -6.245 -6.331 -10.959 1.00 0.00 C ATOM 711 O ASP A 46 -5.652 -7.400 -11.089 1.00 0.00 O ATOM 712 CB ASP A 46 -5.914 -5.482 -8.611 1.00 0.00 C ATOM 713 CG ASP A 46 -4.940 -4.465 -9.180 1.00 0.00 C ATOM 714 OD1 ASP A 46 -5.295 -3.792 -10.169 1.00 0.00 O ATOM 715 OD2 ASP A 46 -3.823 -4.345 -8.634 1.00 0.00 O ATOM 0 H ASP A 46 -7.534 -7.280 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.639 -5.164 -9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.442 -5.039 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.357 -6.336 -8.226 1.00 0.00 H new ATOM 720 N GLY A 47 -6.345 -5.436 -11.935 1.00 0.00 N ATOM 721 CA GLY A 47 -5.745 -5.678 -13.233 1.00 0.00 C ATOM 722 C GLY A 47 -4.240 -5.822 -13.149 1.00 0.00 C ATOM 723 O GLY A 47 -3.682 -5.787 -12.059 1.00 0.00 O ATOM 0 H GLY A 47 -6.833 -4.544 -11.850 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.171 -6.583 -13.665 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.993 -4.856 -13.905 1.00 0.00 H new ATOM 727 N GLY A 48 -3.603 -6.018 -14.309 1.00 0.00 N ATOM 728 CA GLY A 48 -2.151 -6.206 -14.400 1.00 0.00 C ATOM 729 C GLY A 48 -1.371 -5.899 -13.128 1.00 0.00 C ATOM 730 O GLY A 48 -0.501 -6.672 -12.733 1.00 0.00 O ATOM 0 H GLY A 48 -4.079 -6.051 -15.210 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.953 -7.239 -14.687 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.769 -5.573 -15.201 1.00 0.00 H new ATOM 734 N SER A 49 -1.672 -4.778 -12.483 1.00 0.00 N ATOM 735 CA SER A 49 -0.977 -4.401 -11.253 1.00 0.00 C ATOM 736 C SER A 49 -0.985 -5.546 -10.233 1.00 0.00 C ATOM 737 O SER A 49 -0.110 -5.627 -9.372 1.00 0.00 O ATOM 738 CB SER A 49 -1.623 -3.156 -10.643 1.00 0.00 C ATOM 739 OG SER A 49 -1.763 -2.129 -11.608 1.00 0.00 O ATOM 0 H SER A 49 -2.387 -4.117 -12.787 1.00 0.00 H new ATOM 0 HA SER A 49 0.060 -4.182 -11.509 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.601 -3.412 -10.236 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.016 -2.798 -9.812 1.00 0.00 H new ATOM 0 HG SER A 49 -2.180 -1.345 -11.193 1.00 0.00 H new ATOM 745 N ALA A 50 -1.969 -6.435 -10.345 1.00 0.00 N ATOM 746 CA ALA A 50 -2.076 -7.580 -9.448 1.00 0.00 C ATOM 747 C ALA A 50 -0.992 -8.597 -9.762 1.00 0.00 C ATOM 748 O ALA A 50 -0.507 -9.309 -8.883 1.00 0.00 O ATOM 749 CB ALA A 50 -3.452 -8.219 -9.562 1.00 0.00 C ATOM 0 H ALA A 50 -2.704 -6.383 -11.050 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.942 -7.232 -8.424 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.514 -9.072 -8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.216 -7.488 -9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.613 -8.555 -10.586 1.00 0.00 H new ATOM 755 N LYS A 51 -0.627 -8.654 -11.036 1.00 0.00 N ATOM 756 CA LYS A 51 0.390 -9.571 -11.511 1.00 0.00 C ATOM 757 C LYS A 51 1.766 -9.191 -10.972 1.00 0.00 C ATOM 758 O LYS A 51 2.701 -9.991 -10.999 1.00 0.00 O ATOM 759 CB LYS A 51 0.398 -9.564 -13.034 1.00 0.00 C ATOM 760 CG LYS A 51 -0.637 -10.491 -13.650 1.00 0.00 C ATOM 761 CD LYS A 51 -0.283 -11.951 -13.423 1.00 0.00 C ATOM 762 CE LYS A 51 -1.070 -12.543 -12.264 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.194 -13.399 -12.734 1.00 0.00 N ATOM 0 H LYS A 51 -1.029 -8.065 -11.765 1.00 0.00 H new ATOM 0 HA LYS A 51 0.158 -10.573 -11.150 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.219 -8.548 -13.386 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.388 -9.853 -13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.616 -10.282 -13.219 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.711 -10.296 -14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.486 -12.521 -14.330 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.785 -12.040 -13.222 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.402 -13.133 -11.636 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.462 -11.738 -11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.705 -13.783 -11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.845 -12.830 -13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.818 -14.183 -13.305 1.00 0.00 H new ATOM 777 N ARG A 52 1.875 -7.965 -10.474 1.00 0.00 N ATOM 778 CA ARG A 52 3.126 -7.470 -9.915 1.00 0.00 C ATOM 779 C ARG A 52 3.056 -7.457 -8.391 1.00 0.00 C ATOM 780 O ARG A 52 3.755 -6.688 -7.736 1.00 0.00 O ATOM 781 CB ARG A 52 3.459 -6.064 -10.442 1.00 0.00 C ATOM 782 CG ARG A 52 2.323 -5.382 -11.193 1.00 0.00 C ATOM 783 CD ARG A 52 2.838 -4.266 -12.088 1.00 0.00 C ATOM 784 NE ARG A 52 2.168 -4.253 -13.386 1.00 0.00 N ATOM 785 CZ ARG A 52 2.500 -3.436 -14.383 1.00 0.00 C ATOM 786 NH1 ARG A 52 3.490 -2.566 -14.236 1.00 0.00 N ATOM 787 NH2 ARG A 52 1.840 -3.491 -15.532 1.00 0.00 N ATOM 0 H ARG A 52 1.108 -7.293 -10.446 1.00 0.00 H new ATOM 0 HA ARG A 52 3.922 -8.144 -10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.750 -5.435 -9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.323 -6.133 -11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.791 -6.118 -11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.606 -4.976 -10.480 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.689 -3.306 -11.593 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.911 -4.385 -12.235 1.00 0.00 H new ATOM 0 HE ARG A 52 1.401 -4.908 -13.537 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.002 -2.520 -13.355 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.739 -1.943 -15.004 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.079 -4.159 -15.651 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.094 -2.865 -16.296 1.00 0.00 H new ATOM 801 N ASP A 53 2.191 -8.311 -7.840 1.00 0.00 N ATOM 802 CA ASP A 53 2.000 -8.413 -6.396 1.00 0.00 C ATOM 803 C ASP A 53 1.427 -7.121 -5.816 1.00 0.00 C ATOM 804 O ASP A 53 1.486 -6.891 -4.609 1.00 0.00 O ATOM 805 CB ASP A 53 3.316 -8.806 -5.697 1.00 0.00 C ATOM 806 CG ASP A 53 4.198 -7.622 -5.331 1.00 0.00 C ATOM 807 OD1 ASP A 53 3.846 -6.887 -4.386 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.247 -7.441 -5.983 1.00 0.00 O ATOM 0 H ASP A 53 1.607 -8.948 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 53 1.272 -9.202 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.082 -9.365 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.876 -9.476 -6.349 1.00 0.00 H new ATOM 813 N GLY A 54 0.864 -6.281 -6.682 1.00 0.00 N ATOM 814 CA GLY A 54 0.287 -5.030 -6.231 1.00 0.00 C ATOM 815 C GLY A 54 1.279 -4.181 -5.465 1.00 0.00 C ATOM 816 O GLY A 54 0.894 -3.386 -4.608 1.00 0.00 O ATOM 0 H GLY A 54 0.798 -6.446 -7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.078 -4.470 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.575 -5.238 -5.597 1.00 0.00 H new ATOM 820 N SER A 55 2.562 -4.356 -5.772 1.00 0.00 N ATOM 821 CA SER A 55 3.615 -3.601 -5.107 1.00 0.00 C ATOM 822 C SER A 55 3.432 -2.108 -5.329 1.00 0.00 C ATOM 823 O SER A 55 4.029 -1.524 -6.235 1.00 0.00 O ATOM 824 CB SER A 55 4.986 -4.039 -5.617 1.00 0.00 C ATOM 825 OG SER A 55 5.511 -5.098 -4.835 1.00 0.00 O ATOM 0 H SER A 55 2.895 -5.014 -6.477 1.00 0.00 H new ATOM 0 HA SER A 55 3.553 -3.803 -4.038 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.905 -4.357 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.672 -3.193 -5.595 1.00 0.00 H new ATOM 0 HG SER A 55 4.797 -5.485 -4.286 1.00 0.00 H new ATOM 831 N LEU A 56 2.606 -1.490 -4.494 1.00 0.00 N ATOM 832 CA LEU A 56 2.346 -0.061 -4.594 1.00 0.00 C ATOM 833 C LEU A 56 3.635 0.737 -4.410 1.00 0.00 C ATOM 834 O LEU A 56 3.718 1.897 -4.811 1.00 0.00 O ATOM 835 CB LEU A 56 1.300 0.361 -3.556 1.00 0.00 C ATOM 836 CG LEU A 56 -0.125 -0.128 -3.830 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.110 0.548 -2.889 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.512 0.123 -5.282 1.00 0.00 C ATOM 0 H LEU A 56 2.104 -1.958 -3.739 1.00 0.00 H new ATOM 0 HA LEU A 56 1.955 0.150 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.612 -0.008 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.288 1.449 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.158 -1.203 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.118 0.189 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.847 0.313 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.072 1.627 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.528 -0.232 -5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.460 1.191 -5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.175 -0.410 -5.939 1.00 0.00 H new ATOM 850 N GLY A 57 4.642 0.104 -3.809 1.00 0.00 N ATOM 851 CA GLY A 57 5.916 0.766 -3.589 1.00 0.00 C ATOM 852 C GLY A 57 5.765 2.123 -2.934 1.00 0.00 C ATOM 853 O GLY A 57 4.685 2.468 -2.455 1.00 0.00 O ATOM 0 H GLY A 57 4.596 -0.857 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.546 0.134 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.429 0.883 -4.543 1.00 0.00 H new ATOM 857 N TYR A 58 6.850 2.891 -2.900 1.00 0.00 N ATOM 858 CA TYR A 58 6.825 4.217 -2.280 1.00 0.00 C ATOM 859 C TYR A 58 5.844 5.149 -2.981 1.00 0.00 C ATOM 860 O TYR A 58 6.081 5.586 -4.109 1.00 0.00 O ATOM 861 CB TYR A 58 8.214 4.885 -2.264 1.00 0.00 C ATOM 862 CG TYR A 58 9.367 3.994 -2.683 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.641 3.764 -4.026 1.00 0.00 C ATOM 864 CD2 TYR A 58 10.182 3.389 -1.735 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.693 2.956 -4.411 1.00 0.00 C ATOM 866 CE2 TYR A 58 11.238 2.581 -2.113 1.00 0.00 C ATOM 867 CZ TYR A 58 11.488 2.368 -3.452 1.00 0.00 C ATOM 868 OH TYR A 58 12.537 1.562 -3.831 1.00 0.00 O ATOM 0 H TYR A 58 7.753 2.623 -3.291 1.00 0.00 H new ATOM 0 HA TYR A 58 6.502 4.053 -1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.189 5.753 -2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.409 5.255 -1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.021 4.225 -4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.988 3.552 -0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.891 2.786 -5.459 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.864 2.119 -1.364 1.00 0.00 H new ATOM 0 HH TYR A 58 12.997 1.227 -3.033 1.00 0.00 H new ATOM 878 N PHE A 59 4.767 5.487 -2.284 1.00 0.00 N ATOM 879 CA PHE A 59 3.771 6.412 -2.806 1.00 0.00 C ATOM 880 C PHE A 59 3.587 7.551 -1.823 1.00 0.00 C ATOM 881 O PHE A 59 3.984 7.448 -0.666 1.00 0.00 O ATOM 882 CB PHE A 59 2.430 5.725 -3.033 1.00 0.00 C ATOM 883 CG PHE A 59 2.234 5.212 -4.434 1.00 0.00 C ATOM 884 CD1 PHE A 59 3.257 4.555 -5.097 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.024 5.391 -5.083 1.00 0.00 C ATOM 886 CE1 PHE A 59 3.076 4.086 -6.385 1.00 0.00 C ATOM 887 CE2 PHE A 59 0.838 4.924 -6.371 1.00 0.00 C ATOM 888 CZ PHE A 59 1.865 4.270 -7.022 1.00 0.00 C ATOM 0 H PHE A 59 4.561 5.132 -1.350 1.00 0.00 H new ATOM 0 HA PHE A 59 4.126 6.786 -3.766 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.338 4.892 -2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.630 6.427 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.206 4.407 -4.603 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.217 5.901 -4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.881 3.576 -6.892 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.110 5.071 -6.867 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.721 3.903 -8.028 1.00 0.00 H new ATOM 898 N GLY A 60 2.980 8.632 -2.276 1.00 0.00 N ATOM 899 CA GLY A 60 2.761 9.766 -1.401 1.00 0.00 C ATOM 900 C GLY A 60 1.315 10.216 -1.380 1.00 0.00 C ATOM 901 O GLY A 60 0.448 9.568 -1.967 1.00 0.00 O ATOM 0 H GLY A 60 2.635 8.748 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.071 9.504 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.391 10.595 -1.723 1.00 0.00 H new ATOM 905 N ARG A 61 1.050 11.326 -0.698 1.00 0.00 N ATOM 906 CA ARG A 61 -0.299 11.856 -0.599 1.00 0.00 C ATOM 907 C ARG A 61 -0.596 12.762 -1.779 1.00 0.00 C ATOM 908 O ARG A 61 -0.259 13.947 -1.771 1.00 0.00 O ATOM 909 CB ARG A 61 -0.481 12.618 0.716 1.00 0.00 C ATOM 910 CG ARG A 61 0.427 13.829 0.854 1.00 0.00 C ATOM 911 CD ARG A 61 0.685 14.167 2.313 1.00 0.00 C ATOM 912 NE ARG A 61 1.086 15.560 2.491 1.00 0.00 N ATOM 913 CZ ARG A 61 1.641 16.034 3.604 1.00 0.00 C ATOM 914 NH1 ARG A 61 1.862 15.232 4.639 1.00 0.00 N ATOM 915 NH2 ARG A 61 1.977 17.315 3.683 1.00 0.00 N ATOM 0 H ARG A 61 1.755 11.874 -0.206 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.000 11.022 -0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.518 12.942 0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.294 11.939 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.374 13.634 0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.028 14.685 0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.216 13.972 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.464 13.513 2.704 1.00 0.00 H new ATOM 0 HE ARG A 61 0.932 16.207 1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.606 14.246 4.584 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.288 15.602 5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.810 17.936 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.402 17.679 4.536 1.00 0.00 H new ATOM 929 N GLY A 62 -1.227 12.196 -2.793 1.00 0.00 N ATOM 930 CA GLY A 62 -1.561 12.962 -3.970 1.00 0.00 C ATOM 931 C GLY A 62 -1.523 12.133 -5.240 1.00 0.00 C ATOM 932 O GLY A 62 -1.122 12.622 -6.296 1.00 0.00 O ATOM 0 H GLY A 62 -1.514 11.218 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.557 13.389 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.866 13.796 -4.065 1.00 0.00 H new ATOM 936 N LYS A 63 -1.941 10.873 -5.140 1.00 0.00 N ATOM 937 CA LYS A 63 -1.951 9.979 -6.292 1.00 0.00 C ATOM 938 C LYS A 63 -3.034 8.912 -6.153 1.00 0.00 C ATOM 939 O LYS A 63 -3.735 8.597 -7.116 1.00 0.00 O ATOM 940 CB LYS A 63 -0.583 9.312 -6.456 1.00 0.00 C ATOM 941 CG LYS A 63 0.380 10.105 -7.327 1.00 0.00 C ATOM 942 CD LYS A 63 0.633 9.415 -8.658 1.00 0.00 C ATOM 943 CE LYS A 63 2.116 9.374 -8.991 1.00 0.00 C ATOM 944 NZ LYS A 63 2.472 8.171 -9.793 1.00 0.00 N ATOM 0 H LYS A 63 -2.276 10.450 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.170 10.576 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.137 9.170 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.721 8.321 -6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.026 11.101 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.325 10.235 -6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.239 8.399 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.096 9.939 -9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.389 10.273 -9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.696 9.379 -8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.491 8.180 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.235 7.313 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.938 8.178 -10.686 1.00 0.00 H new ATOM 958 N MET A 64 -3.163 8.351 -4.952 1.00 0.00 N ATOM 959 CA MET A 64 -4.156 7.314 -4.696 1.00 0.00 C ATOM 960 C MET A 64 -5.471 7.915 -4.210 1.00 0.00 C ATOM 961 O MET A 64 -5.535 9.090 -3.852 1.00 0.00 O ATOM 962 CB MET A 64 -3.628 6.319 -3.661 1.00 0.00 C ATOM 963 CG MET A 64 -2.181 5.912 -3.888 1.00 0.00 C ATOM 964 SD MET A 64 -1.763 4.351 -3.087 1.00 0.00 S ATOM 965 CE MET A 64 -0.956 4.941 -1.601 1.00 0.00 C ATOM 0 H MET A 64 -2.593 8.598 -4.143 1.00 0.00 H new ATOM 0 HA MET A 64 -4.344 6.793 -5.635 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.721 6.758 -2.668 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.254 5.427 -3.675 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.995 5.827 -4.959 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.524 6.696 -3.512 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.324 4.152 -1.192 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.343 5.810 -1.840 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.709 5.221 -0.864 1.00 0.00 H new ATOM 975 N VAL A 65 -6.519 7.096 -4.201 1.00 0.00 N ATOM 976 CA VAL A 65 -7.837 7.541 -3.759 1.00 0.00 C ATOM 977 C VAL A 65 -7.786 8.044 -2.317 1.00 0.00 C ATOM 978 O VAL A 65 -6.897 7.675 -1.552 1.00 0.00 O ATOM 979 CB VAL A 65 -8.878 6.408 -3.878 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.008 5.951 -5.323 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.504 5.243 -2.976 1.00 0.00 C ATOM 0 H VAL A 65 -6.481 6.120 -4.495 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.139 8.361 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.845 6.793 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.746 5.152 -5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.326 6.789 -5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.045 5.584 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.249 4.454 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.527 4.857 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.467 5.582 -1.941 1.00 0.00 H new ATOM 991 N LYS A 66 -8.739 8.898 -1.961 1.00 0.00 N ATOM 992 CA LYS A 66 -8.803 9.472 -0.620 1.00 0.00 C ATOM 993 C LYS A 66 -8.905 8.404 0.475 1.00 0.00 C ATOM 994 O LYS A 66 -8.180 8.465 1.469 1.00 0.00 O ATOM 995 CB LYS A 66 -9.990 10.431 -0.514 1.00 0.00 C ATOM 996 CG LYS A 66 -9.699 11.669 0.318 1.00 0.00 C ATOM 997 CD LYS A 66 -10.762 12.736 0.118 1.00 0.00 C ATOM 998 CE LYS A 66 -12.060 12.367 0.818 1.00 0.00 C ATOM 999 NZ LYS A 66 -13.252 12.863 0.075 1.00 0.00 N ATOM 0 H LYS A 66 -9.482 9.210 -2.586 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.870 10.013 -0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.288 10.739 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.837 9.901 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.649 11.397 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.723 12.071 0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.399 13.689 0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.948 12.871 -0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.121 11.284 0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.061 12.784 1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.117 12.591 0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.207 13.899 -0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.266 12.446 -0.877 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.809 7.418 0.327 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.983 6.368 1.332 1.00 0.00 C ATOM 1015 C PRO A 67 -8.745 5.499 1.476 1.00 0.00 C ATOM 1016 O PRO A 67 -8.361 5.119 2.581 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.155 5.529 0.813 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.333 5.900 -0.620 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.725 7.261 -0.812 1.00 0.00 C ATOM 0 HA PRO A 67 -10.162 6.795 2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.946 4.464 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.062 5.733 1.383 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.850 5.169 -1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.390 5.911 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.193 7.328 -1.761 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.488 8.039 -0.818 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.126 5.191 0.347 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.925 4.363 0.340 1.00 0.00 C ATOM 1029 C PHE A 68 -5.720 5.159 0.821 1.00 0.00 C ATOM 1030 O PHE A 68 -4.982 4.718 1.703 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.657 3.808 -1.062 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.699 2.652 -1.077 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.344 2.855 -0.879 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.156 1.361 -1.292 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.460 1.793 -0.893 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.277 0.296 -1.309 1.00 0.00 C ATOM 1037 CZ PHE A 68 -3.927 0.512 -1.109 1.00 0.00 C ATOM 0 H PHE A 68 -8.433 5.500 -0.575 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.089 3.528 1.022 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.601 3.492 -1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.261 4.606 -1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.973 3.855 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.210 1.186 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.406 1.965 -0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.645 -0.705 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.238 -0.320 -1.122 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.528 6.338 0.239 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.415 7.201 0.609 1.00 0.00 C ATOM 1049 C GLU A 69 -4.417 7.469 2.110 1.00 0.00 C ATOM 1050 O GLU A 69 -3.363 7.628 2.725 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.500 8.521 -0.159 1.00 0.00 C ATOM 1052 CG GLU A 69 -3.176 9.261 -0.252 1.00 0.00 C ATOM 1053 CD GLU A 69 -3.273 10.694 0.232 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.585 11.580 -0.592 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -3.035 10.932 1.434 1.00 0.00 O ATOM 0 H GLU A 69 -6.130 6.717 -0.492 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.485 6.696 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.866 8.322 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.233 9.166 0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.427 8.732 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.832 9.253 -1.286 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.610 7.513 2.692 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.753 7.757 4.124 1.00 0.00 C ATOM 1064 C ASP A 70 -5.187 6.594 4.932 1.00 0.00 C ATOM 1065 O ASP A 70 -4.360 6.787 5.823 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.223 7.974 4.483 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.398 8.915 5.660 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -7.413 8.430 6.810 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -7.520 10.136 5.430 1.00 0.00 O ATOM 0 H ASP A 70 -6.492 7.383 2.196 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.190 8.657 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.750 8.377 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.683 7.014 4.718 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.638 5.384 4.613 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.176 4.188 5.308 1.00 0.00 C ATOM 1076 C ALA A 71 -3.762 3.800 4.875 1.00 0.00 C ATOM 1077 O ALA A 71 -3.142 2.921 5.473 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.138 3.035 5.064 1.00 0.00 C ATOM 0 H ALA A 71 -6.323 5.207 3.878 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.148 4.410 6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.783 2.148 5.588 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.128 3.303 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.194 2.828 3.995 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.261 4.456 3.831 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.926 4.173 3.320 1.00 0.00 C ATOM 1086 C ALA A 72 -0.852 4.491 4.359 1.00 0.00 C ATOM 1087 O ALA A 72 0.091 3.721 4.544 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.679 4.961 2.043 1.00 0.00 C ATOM 0 H ALA A 72 -3.761 5.186 3.324 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.867 3.107 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.679 4.743 1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.417 4.678 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.764 6.028 2.251 1.00 0.00 H new ATOM 1094 N PHE A 73 -1.001 5.627 5.032 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.038 6.045 6.049 1.00 0.00 C ATOM 1096 C PHE A 73 -0.524 5.694 7.454 1.00 0.00 C ATOM 1097 O PHE A 73 -0.018 6.223 8.443 1.00 0.00 O ATOM 1098 CB PHE A 73 0.220 7.550 5.950 1.00 0.00 C ATOM 1099 CG PHE A 73 -1.029 8.368 5.792 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.965 8.429 6.811 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.268 9.073 4.623 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -3.116 9.182 6.669 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.416 9.826 4.475 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.341 9.881 5.498 1.00 0.00 C ATOM 0 H PHE A 73 -1.777 6.275 4.893 1.00 0.00 H new ATOM 0 HA PHE A 73 0.892 5.507 5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.748 7.879 6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.879 7.742 5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.794 7.882 7.727 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.548 9.033 3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.838 9.224 7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.590 10.372 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.239 10.469 5.384 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.509 4.803 7.539 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.058 4.395 8.828 1.00 0.00 C ATOM 1116 C ARG A 74 -1.447 3.076 9.295 1.00 0.00 C ATOM 1117 O ARG A 74 -1.359 2.816 10.495 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.578 4.259 8.737 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.319 5.577 8.901 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.763 5.358 9.325 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.044 5.940 10.636 1.00 0.00 N ATOM 1122 CZ ARG A 74 -7.267 6.222 11.077 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -8.328 5.977 10.316 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -7.432 6.750 12.281 1.00 0.00 N ATOM 0 H ARG A 74 -1.942 4.352 6.733 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.809 5.166 9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.838 3.823 7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.918 3.563 9.503 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.810 6.191 9.644 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.295 6.128 7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.429 5.798 8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.975 4.289 9.350 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.255 6.142 11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.207 5.571 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.263 6.195 10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.621 6.940 12.870 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.370 6.966 12.619 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.031 2.244 8.344 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.435 0.954 8.670 1.00 0.00 C ATOM 1140 C LEU A 75 1.088 1.035 8.684 1.00 0.00 C ATOM 1141 O LEU A 75 1.769 0.229 8.049 1.00 0.00 O ATOM 1142 CB LEU A 75 -0.881 -0.112 7.671 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.338 -0.028 7.233 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -2.672 -1.209 6.342 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.258 0.012 8.442 1.00 0.00 C ATOM 0 H LEU A 75 -1.096 2.440 7.345 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.777 0.678 9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.249 -0.044 6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.708 -1.094 8.111 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.487 0.892 6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.715 -1.146 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.029 -1.194 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.513 -2.136 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.294 0.072 8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.119 -0.892 9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.021 0.885 9.050 1.00 0.00 H new ATOM 1157 N GLN A 76 1.618 2.001 9.419 1.00 0.00 N ATOM 1158 CA GLN A 76 3.062 2.171 9.523 1.00 0.00 C ATOM 1159 C GLN A 76 3.693 0.904 10.082 1.00 0.00 C ATOM 1160 O GLN A 76 4.810 0.534 9.718 1.00 0.00 O ATOM 1161 CB GLN A 76 3.390 3.369 10.412 1.00 0.00 C ATOM 1162 CG GLN A 76 2.850 4.680 9.868 1.00 0.00 C ATOM 1163 CD GLN A 76 3.043 5.836 10.829 1.00 0.00 C ATOM 1164 OE1 GLN A 76 3.854 6.730 10.587 1.00 0.00 O ATOM 1165 NE2 GLN A 76 2.296 5.824 11.926 1.00 0.00 N ATOM 0 H GLN A 76 1.072 2.679 9.952 1.00 0.00 H new ATOM 0 HA GLN A 76 3.471 2.357 8.530 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.979 3.199 11.407 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.472 3.446 10.523 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.347 4.910 8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.788 4.568 9.649 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.636 5.062 12.086 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.381 6.576 12.609 1.00 0.00 H new ATOM 1174 N VAL A 77 2.952 0.235 10.957 1.00 0.00 N ATOM 1175 CA VAL A 77 3.407 -1.009 11.563 1.00 0.00 C ATOM 1176 C VAL A 77 3.583 -2.085 10.496 1.00 0.00 C ATOM 1177 O VAL A 77 4.375 -3.014 10.657 1.00 0.00 O ATOM 1178 CB VAL A 77 2.403 -1.509 12.630 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.978 -1.430 12.102 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.731 -2.930 13.077 1.00 0.00 C ATOM 0 H VAL A 77 2.027 0.536 11.264 1.00 0.00 H new ATOM 0 HA VAL A 77 4.364 -0.812 12.046 1.00 0.00 H new ATOM 0 HB VAL A 77 2.488 -0.858 13.500 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.287 -1.786 12.866 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.740 -0.397 11.850 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.885 -2.051 11.211 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.008 -3.252 13.826 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.687 -3.601 12.219 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.733 -2.954 13.506 1.00 0.00 H new ATOM 1190 N GLY A 78 2.829 -1.953 9.408 1.00 0.00 N ATOM 1191 CA GLY A 78 2.901 -2.919 8.330 1.00 0.00 C ATOM 1192 C GLY A 78 1.918 -4.036 8.516 1.00 0.00 C ATOM 1193 O GLY A 78 2.288 -5.161 8.854 1.00 0.00 O ATOM 0 H GLY A 78 2.168 -1.191 9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.708 -2.419 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.910 -3.328 8.275 1.00 0.00 H new ATOM 1197 N GLU A 79 0.665 -3.712 8.321 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.402 -4.667 8.487 1.00 0.00 C ATOM 1199 C GLU A 79 -1.462 -4.446 7.434 1.00 0.00 C ATOM 1200 O GLU A 79 -1.363 -3.519 6.638 1.00 0.00 O ATOM 1201 CB GLU A 79 -0.995 -4.500 9.871 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.632 -5.757 10.429 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.145 -5.674 10.484 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.675 -5.162 11.492 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -3.800 -6.120 9.519 1.00 0.00 O ATOM 0 H GLU A 79 0.356 -2.781 8.043 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.013 -5.679 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.211 -4.170 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.744 -3.709 9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.341 -6.609 9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.246 -5.940 11.432 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.483 -5.283 7.432 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.548 -5.127 6.469 1.00 0.00 C ATOM 1214 C VAL A 80 -4.492 -4.023 6.938 1.00 0.00 C ATOM 1215 O VAL A 80 -4.629 -3.792 8.140 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.333 -6.439 6.253 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.475 -6.230 5.270 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.401 -7.541 5.765 1.00 0.00 C ATOM 0 H VAL A 80 -2.594 -6.065 8.077 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.101 -4.858 5.512 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.760 -6.744 7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.014 -7.168 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.156 -5.473 5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.074 -5.899 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.969 -8.459 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.945 -7.241 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.621 -7.712 6.506 1.00 0.00 H new ATOM 1228 N SER A 81 -5.118 -3.323 5.999 1.00 0.00 N ATOM 1229 CA SER A 81 -6.012 -2.227 6.353 1.00 0.00 C ATOM 1230 C SER A 81 -7.470 -2.627 6.194 1.00 0.00 C ATOM 1231 O SER A 81 -7.810 -3.507 5.404 1.00 0.00 O ATOM 1232 CB SER A 81 -5.717 -0.998 5.488 1.00 0.00 C ATOM 1233 OG SER A 81 -5.138 0.041 6.258 1.00 0.00 O ATOM 0 H SER A 81 -5.025 -3.492 4.997 1.00 0.00 H new ATOM 0 HA SER A 81 -5.836 -1.983 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.042 -1.273 4.678 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.639 -0.643 5.028 1.00 0.00 H new ATOM 0 HG SER A 81 -5.815 0.423 6.854 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.320 -1.973 6.974 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.750 -2.242 6.963 1.00 0.00 C ATOM 1241 C GLU A 82 -10.320 -2.218 5.551 1.00 0.00 C ATOM 1242 O GLU A 82 -9.764 -1.591 4.647 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.473 -1.221 7.838 1.00 0.00 C ATOM 1244 CG GLU A 82 -9.935 -1.174 9.256 1.00 0.00 C ATOM 1245 CD GLU A 82 -9.482 0.214 9.666 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -8.309 0.557 9.405 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -10.300 0.957 10.247 1.00 0.00 O ATOM 0 H GLU A 82 -8.038 -1.244 7.629 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.905 -3.244 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.381 -0.233 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.536 -1.461 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.707 -1.518 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.098 -1.866 9.345 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.449 -2.908 5.349 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.109 -2.971 4.046 1.00 0.00 C ATOM 1256 C PRO A 83 -12.381 -1.585 3.478 1.00 0.00 C ATOM 1257 O PRO A 83 -13.323 -0.907 3.889 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.432 -3.697 4.343 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.573 -3.667 5.830 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.173 -3.676 6.367 1.00 0.00 C ATOM 0 HA PRO A 83 -11.494 -3.475 3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.272 -3.199 3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.411 -4.721 3.970 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.112 -2.777 6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.136 -4.529 6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.111 -3.210 7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.782 -4.688 6.469 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.557 -1.178 2.522 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.712 0.123 1.887 1.00 0.00 C ATOM 1270 C VAL A 84 -12.344 -0.025 0.510 1.00 0.00 C ATOM 1271 O VAL A 84 -11.679 -0.417 -0.448 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.362 0.852 1.737 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.561 2.210 1.085 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.676 1.000 3.086 1.00 0.00 C ATOM 0 H VAL A 84 -10.775 -1.730 2.170 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.360 0.715 2.533 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.718 0.252 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.598 2.711 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.004 2.078 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.224 2.816 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.725 1.517 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.313 1.576 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.497 0.013 3.513 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.629 0.288 0.413 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.336 0.183 -0.853 1.00 0.00 C ATOM 1286 C LYS A 85 -14.288 1.501 -1.615 1.00 0.00 C ATOM 1287 O LYS A 85 -14.883 2.494 -1.198 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.789 -0.225 -0.617 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.481 -0.761 -1.861 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.919 0.366 -2.784 1.00 0.00 C ATOM 1291 CE LYS A 85 -18.397 0.260 -3.132 1.00 0.00 C ATOM 1292 NZ LYS A 85 -19.002 1.594 -3.394 1.00 0.00 N ATOM 0 H LYS A 85 -14.200 0.615 1.193 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.842 -0.582 -1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.822 -0.986 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.344 0.637 -0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.805 -1.429 -2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.349 -1.352 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -16.725 1.326 -2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.326 0.340 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.519 -0.373 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.929 -0.226 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -20.009 1.479 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.909 2.190 -2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.512 2.047 -4.191 1.00 0.00 H new ATOM 1306 N SER A 86 -13.581 1.500 -2.739 1.00 0.00 N ATOM 1307 CA SER A 86 -13.464 2.693 -3.566 1.00 0.00 C ATOM 1308 C SER A 86 -14.281 2.536 -4.844 1.00 0.00 C ATOM 1309 O SER A 86 -14.961 1.528 -5.033 1.00 0.00 O ATOM 1310 CB SER A 86 -11.997 2.963 -3.908 1.00 0.00 C ATOM 1311 OG SER A 86 -11.422 3.886 -3.002 1.00 0.00 O ATOM 0 H SER A 86 -13.081 0.687 -3.098 1.00 0.00 H new ATOM 0 HA SER A 86 -13.854 3.542 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.437 2.028 -3.883 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.923 3.352 -4.924 1.00 0.00 H new ATOM 0 HG SER A 86 -11.400 4.776 -3.412 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.207 3.533 -5.716 1.00 0.00 N ATOM 1318 CA GLU A 87 -14.939 3.494 -6.977 1.00 0.00 C ATOM 1319 C GLU A 87 -14.524 2.283 -7.813 1.00 0.00 C ATOM 1320 O GLU A 87 -15.240 1.875 -8.728 1.00 0.00 O ATOM 1321 CB GLU A 87 -14.701 4.781 -7.768 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.232 5.083 -8.009 1.00 0.00 C ATOM 1323 CD GLU A 87 -12.943 6.572 -8.051 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.133 7.243 -7.015 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.527 7.066 -9.120 1.00 0.00 O ATOM 0 H GLU A 87 -13.650 4.376 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.001 3.407 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.211 4.707 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.152 5.616 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.636 4.623 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.921 4.629 -8.950 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.362 1.718 -7.498 1.00 0.00 N ATOM 1333 CA PHE A 88 -12.849 0.562 -8.222 1.00 0.00 C ATOM 1334 C PHE A 88 -13.322 -0.746 -7.590 1.00 0.00 C ATOM 1335 O PHE A 88 -13.666 -1.696 -8.294 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.320 0.604 -8.257 1.00 0.00 C ATOM 1337 CG PHE A 88 -10.764 1.216 -9.511 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -10.615 2.589 -9.619 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.387 0.419 -10.579 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.103 3.156 -10.770 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.874 0.979 -11.733 1.00 0.00 C ATOM 1342 CZ PHE A 88 -9.732 2.350 -11.829 1.00 0.00 C ATOM 0 H PHE A 88 -12.757 2.044 -6.744 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.236 0.603 -9.240 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.961 1.169 -7.397 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.935 -0.411 -8.156 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.902 3.224 -8.794 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.495 -0.653 -10.509 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.993 4.228 -10.842 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.584 0.346 -12.559 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.332 2.791 -12.730 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.332 -0.795 -6.260 1.00 0.00 N ATOM 1353 CA GLY A 89 -13.760 -1.996 -5.564 1.00 0.00 C ATOM 1354 C GLY A 89 -13.324 -2.022 -4.117 1.00 0.00 C ATOM 1355 O GLY A 89 -12.939 -0.996 -3.556 1.00 0.00 O ATOM 0 H GLY A 89 -13.052 -0.025 -5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -14.846 -2.071 -5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.357 -2.870 -6.076 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.384 -3.201 -3.512 1.00 0.00 N ATOM 1360 CA TYR A 90 -12.996 -3.370 -2.128 1.00 0.00 C ATOM 1361 C TYR A 90 -11.483 -3.548 -2.038 1.00 0.00 C ATOM 1362 O TYR A 90 -10.957 -4.633 -2.280 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.736 -4.573 -1.547 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.743 -4.208 -0.480 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -15.919 -3.546 -0.812 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.524 -4.527 0.854 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -16.847 -3.213 0.155 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.450 -4.197 1.827 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.608 -3.539 1.473 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.531 -3.209 2.438 1.00 0.00 O ATOM 0 H TYR A 90 -13.701 -4.057 -3.967 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.264 -2.487 -1.548 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.248 -5.098 -2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.009 -5.267 -1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.110 -3.288 -1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.617 -5.041 1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.756 -2.699 -0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.266 -4.454 2.860 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.211 -3.511 3.314 1.00 0.00 H new ATOM 1380 N HIS A 91 -10.794 -2.457 -1.729 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.339 -2.458 -1.651 1.00 0.00 C ATOM 1382 C HIS A 91 -8.815 -2.946 -0.303 1.00 0.00 C ATOM 1383 O HIS A 91 -9.553 -3.054 0.675 1.00 0.00 O ATOM 1384 CB HIS A 91 -8.805 -1.051 -1.924 1.00 0.00 C ATOM 1385 CG HIS A 91 -8.607 -0.755 -3.378 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -9.505 -0.028 -4.129 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -7.601 -1.091 -4.221 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -9.061 0.070 -5.369 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -7.909 -0.565 -5.451 1.00 0.00 N ATOM 0 H HIS A 91 -11.223 -1.554 -1.527 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.983 -3.157 -2.408 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.498 -0.321 -1.505 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.855 -0.925 -1.404 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.721 -1.665 -3.972 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.558 0.584 -6.179 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.339 -0.652 -6.292 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.515 -3.216 -0.284 1.00 0.00 N ATOM 1399 CA VAL A 92 -6.809 -3.672 0.906 1.00 0.00 C ATOM 1400 C VAL A 92 -5.403 -3.087 0.896 1.00 0.00 C ATOM 1401 O VAL A 92 -4.881 -2.771 -0.173 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.724 -5.209 0.963 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.194 -5.667 2.313 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.082 -5.831 0.677 1.00 0.00 C ATOM 0 H VAL A 92 -6.915 -3.123 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.360 -3.336 1.784 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.028 -5.543 0.194 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.142 -6.756 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.199 -5.253 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.862 -5.321 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.001 -6.917 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.802 -5.490 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.417 -5.533 -0.316 1.00 0.00 H new ATOM 1414 N ILE A 93 -4.789 -2.910 2.063 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.450 -2.324 2.102 1.00 0.00 C ATOM 1416 C ILE A 93 -2.520 -3.021 3.089 1.00 0.00 C ATOM 1417 O ILE A 93 -2.787 -3.070 4.289 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.510 -0.825 2.463 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -4.871 -0.231 2.073 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.377 -0.075 1.777 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -4.948 1.273 2.226 1.00 0.00 C ATOM 0 H ILE A 93 -5.183 -3.156 2.971 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.045 -2.457 1.099 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.391 -0.719 3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.088 -0.493 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.646 -0.689 2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.429 0.982 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.420 -0.483 2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.469 -0.186 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.939 1.618 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.764 1.543 3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.197 1.742 1.591 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.405 -3.528 2.567 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.394 -4.191 3.384 1.00 0.00 C ATOM 1435 C LYS A 94 0.989 -3.612 3.084 1.00 0.00 C ATOM 1436 O LYS A 94 1.506 -3.760 1.977 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.405 -5.703 3.146 1.00 0.00 C ATOM 1438 CG LYS A 94 0.700 -6.448 3.878 1.00 0.00 C ATOM 1439 CD LYS A 94 0.643 -6.198 5.376 1.00 0.00 C ATOM 1440 CE LYS A 94 1.107 -7.413 6.162 1.00 0.00 C ATOM 1441 NZ LYS A 94 -0.036 -8.241 6.635 1.00 0.00 N ATOM 0 H LYS A 94 -1.179 -3.491 1.573 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.629 -4.013 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.369 -6.104 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.312 -5.894 2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.611 -7.517 3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.670 -6.133 3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.268 -5.341 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.377 -5.944 5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.761 -8.021 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.697 -7.087 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.314 -9.167 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.510 -7.759 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.713 -8.376 5.857 1.00 0.00 H new ATOM 1455 N ARG A 95 1.570 -2.934 4.066 1.00 0.00 N ATOM 1456 CA ARG A 95 2.878 -2.310 3.907 1.00 0.00 C ATOM 1457 C ARG A 95 3.962 -3.310 3.522 1.00 0.00 C ATOM 1458 O ARG A 95 4.032 -4.423 4.043 1.00 0.00 O ATOM 1459 CB ARG A 95 3.282 -1.592 5.194 1.00 0.00 C ATOM 1460 CG ARG A 95 4.267 -0.452 4.978 1.00 0.00 C ATOM 1461 CD ARG A 95 5.198 -0.285 6.169 1.00 0.00 C ATOM 1462 NE ARG A 95 6.600 -0.220 5.765 1.00 0.00 N ATOM 1463 CZ ARG A 95 7.190 0.880 5.305 1.00 0.00 C ATOM 1464 NH1 ARG A 95 6.503 2.009 5.180 1.00 0.00 N ATOM 1465 NH2 ARG A 95 8.473 0.853 4.968 1.00 0.00 N ATOM 0 H ARG A 95 1.153 -2.802 4.987 1.00 0.00 H new ATOM 0 HA ARG A 95 2.786 -1.593 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.387 -1.200 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.723 -2.316 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.854 -0.643 4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.720 0.476 4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.934 0.624 6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.058 -1.118 6.858 1.00 0.00 H new ATOM 0 HE ARG A 95 7.160 -1.069 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.516 2.037 5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.962 2.849 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.007 -0.011 5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.925 1.696 4.615 1.00 0.00 H new ATOM 1479 N LEU A 96 4.814 -2.865 2.608 1.00 0.00 N ATOM 1480 CA LEU A 96 5.926 -3.631 2.110 1.00 0.00 C ATOM 1481 C LEU A 96 6.957 -2.684 1.489 1.00 0.00 C ATOM 1482 O LEU A 96 6.678 -2.003 0.502 1.00 0.00 O ATOM 1483 CB LEU A 96 5.431 -4.651 1.078 1.00 0.00 C ATOM 1484 CG LEU A 96 5.674 -4.294 -0.395 1.00 0.00 C ATOM 1485 CD1 LEU A 96 7.130 -4.537 -0.774 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.747 -5.088 -1.299 1.00 0.00 C ATOM 0 H LEU A 96 4.741 -1.938 2.189 1.00 0.00 H new ATOM 0 HA LEU A 96 6.398 -4.174 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.912 -5.607 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.360 -4.795 1.224 1.00 0.00 H new ATOM 0 HG LEU A 96 5.458 -3.234 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.281 -4.278 -1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.776 -3.919 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.375 -5.588 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.935 -4.820 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.928 -6.154 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.711 -4.861 -1.048 1.00 0.00 H new ATOM 1498 N GLY A 97 8.139 -2.639 2.075 1.00 0.00 N ATOM 1499 CA GLY A 97 9.185 -1.775 1.564 1.00 0.00 C ATOM 1500 C GLY A 97 10.569 -2.223 1.990 1.00 0.00 C ATOM 1501 O GLY A 97 11.326 -2.717 1.128 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.898 -2.079 3.186 1.00 0.00 O ATOM 0 H GLY A 97 8.397 -3.185 2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.133 -1.752 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.013 -0.757 1.913 1.00 0.00 H new TER 1506 GLY A 97