USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 996 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 1 GLY N :NH3+ 165:sc= 0.00243 (180deg=0) USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0754 X(o=-0.075,f=0) USER MOD Single : A 9 SER OG : rot 43:sc= 0.0753 USER MOD Single : A 10 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.082) USER MOD Single : A 11 SER OG : rot 60:sc= 0.042 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.098) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0822 K(o=-0.082,f=-1.9!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.33 K(o=-1.3,f=-11!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc=-0.00191 (180deg=-0.00191) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.163 USER MOD Single : A 46 SER OG : rot -60:sc= 0.092 USER MOD Single : A 49 MET CE :methyl -134:sc= -1.12 (180deg=-4.71!) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= -0.158 (180deg=-1.26!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -175:sc= -1.43 (180deg=-1.58) USER MOD Single : A 60 THR OG1 : rot -98:sc= 1.03 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 170:sc= -1.78 USER MOD Single : A 70 THR OG1 : rot -86:sc= -0.144 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -82:sc= -0.554 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 83 HIS : no HD1:sc= -4.39! C(o=-4.4!,f=-7.2!) USER MOD Single : A 94 ASN : amide:sc= -6.03! C(o=-6!,f=-19!) USER MOD Single : A 99 GLN : amide:sc= -0.357 K(o=-0.36,f=-0.98) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot 170:sc= -0.162 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.215 USER MOD Single : A 126 SER OG : rot -8:sc= 1.02 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.961 -1.592 -14.098 1.00 0.00 N ATOM 2 CA GLY A 1 -37.524 -1.706 -13.912 1.00 0.00 C ATOM 3 C GLY A 1 -36.902 -2.602 -14.985 1.00 0.00 C ATOM 4 O GLY A 1 -37.604 -3.373 -15.638 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.393 -1.202 -13.236 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.158 -0.960 -14.900 1.00 0.00 H new ATOM 0 H3 GLY A 1 -39.362 -2.532 -14.291 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.069 -0.716 -13.951 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -37.313 -2.115 -12.924 1.00 0.00 H new ATOM 8 N SER A 2 -35.592 -2.471 -15.134 1.00 0.00 N ATOM 9 CA SER A 2 -34.868 -3.260 -16.116 1.00 0.00 C ATOM 10 C SER A 2 -35.232 -2.799 -17.529 1.00 0.00 C ATOM 11 O SER A 2 -34.393 -2.250 -18.242 1.00 0.00 O ATOM 12 CB SER A 2 -35.165 -4.752 -15.952 1.00 0.00 C ATOM 13 OG SER A 2 -34.012 -5.484 -15.543 1.00 0.00 O ATOM 0 H SER A 2 -35.013 -1.830 -14.591 1.00 0.00 H new ATOM 0 HA SER A 2 -33.800 -3.110 -15.955 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.959 -4.885 -15.217 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.534 -5.154 -16.896 1.00 0.00 H new ATOM 0 HG SER A 2 -34.243 -6.432 -15.448 1.00 0.00 H new ATOM 19 N SER A 3 -36.484 -3.038 -17.891 1.00 0.00 N ATOM 20 CA SER A 3 -36.969 -2.654 -19.206 1.00 0.00 C ATOM 21 C SER A 3 -36.956 -1.131 -19.344 1.00 0.00 C ATOM 22 O SER A 3 -36.301 -0.590 -20.234 1.00 0.00 O ATOM 23 CB SER A 3 -38.377 -3.198 -19.453 1.00 0.00 C ATOM 24 OG SER A 3 -38.354 -4.525 -19.970 1.00 0.00 O ATOM 0 H SER A 3 -37.177 -3.493 -17.297 1.00 0.00 H new ATOM 0 HA SER A 3 -36.305 -3.085 -19.955 1.00 0.00 H new ATOM 0 HB2 SER A 3 -38.940 -3.182 -18.520 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.900 -2.546 -20.152 1.00 0.00 H new ATOM 0 HG SER A 3 -39.272 -4.837 -20.112 1.00 0.00 H new ATOM 30 N GLY A 4 -37.686 -0.481 -18.450 1.00 0.00 N ATOM 31 CA GLY A 4 -37.767 0.970 -18.461 1.00 0.00 C ATOM 32 C GLY A 4 -37.684 1.534 -17.041 1.00 0.00 C ATOM 33 O GLY A 4 -36.775 1.194 -16.286 1.00 0.00 O ATOM 0 H GLY A 4 -38.227 -0.933 -17.713 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -36.958 1.378 -19.066 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -38.702 1.282 -18.926 1.00 0.00 H new ATOM 37 N SER A 5 -38.645 2.388 -16.721 1.00 0.00 N ATOM 38 CA SER A 5 -38.693 3.003 -15.406 1.00 0.00 C ATOM 39 C SER A 5 -37.417 3.811 -15.160 1.00 0.00 C ATOM 40 O SER A 5 -36.410 3.267 -14.710 1.00 0.00 O ATOM 41 CB SER A 5 -38.872 1.949 -14.311 1.00 0.00 C ATOM 42 OG SER A 5 -40.247 1.678 -14.052 1.00 0.00 O ATOM 0 H SER A 5 -39.397 2.669 -17.350 1.00 0.00 H new ATOM 0 HA SER A 5 -39.553 3.672 -15.373 1.00 0.00 H new ATOM 0 HB2 SER A 5 -38.371 1.028 -14.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 -38.391 2.292 -13.395 1.00 0.00 H new ATOM 0 HG SER A 5 -40.320 0.999 -13.349 1.00 0.00 H new ATOM 48 N SER A 6 -37.501 5.098 -15.466 1.00 0.00 N ATOM 49 CA SER A 6 -36.366 5.986 -15.284 1.00 0.00 C ATOM 50 C SER A 6 -35.189 5.513 -16.139 1.00 0.00 C ATOM 51 O SER A 6 -35.137 4.352 -16.543 1.00 0.00 O ATOM 52 CB SER A 6 -35.956 6.062 -13.812 1.00 0.00 C ATOM 53 OG SER A 6 -35.779 7.407 -13.376 1.00 0.00 O ATOM 0 H SER A 6 -38.338 5.546 -15.839 1.00 0.00 H new ATOM 0 HA SER A 6 -36.660 6.986 -15.603 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.717 5.579 -13.198 1.00 0.00 H new ATOM 0 HB3 SER A 6 -35.029 5.508 -13.665 1.00 0.00 H new ATOM 0 HG SER A 6 -35.519 7.413 -12.431 1.00 0.00 H new ATOM 59 N GLY A 7 -34.272 6.436 -16.391 1.00 0.00 N ATOM 60 CA GLY A 7 -33.099 6.128 -17.190 1.00 0.00 C ATOM 61 C GLY A 7 -32.002 5.493 -16.333 1.00 0.00 C ATOM 62 O GLY A 7 -32.294 4.771 -15.380 1.00 0.00 O ATOM 0 H GLY A 7 -34.318 7.398 -16.055 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -33.373 5.449 -17.998 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -32.721 7.039 -17.654 1.00 0.00 H new ATOM 66 N HIS A 8 -30.764 5.784 -16.701 1.00 0.00 N ATOM 67 CA HIS A 8 -29.622 5.251 -15.978 1.00 0.00 C ATOM 68 C HIS A 8 -29.638 3.723 -16.049 1.00 0.00 C ATOM 69 O HIS A 8 -30.491 3.078 -15.441 1.00 0.00 O ATOM 70 CB HIS A 8 -29.595 5.777 -14.541 1.00 0.00 C ATOM 71 CG HIS A 8 -28.926 7.122 -14.393 1.00 0.00 C ATOM 72 ND1 HIS A 8 -28.515 7.624 -13.170 1.00 0.00 N ATOM 73 CD2 HIS A 8 -28.601 8.064 -15.324 1.00 0.00 C ATOM 74 CE1 HIS A 8 -27.969 8.815 -13.369 1.00 0.00 C ATOM 75 NE2 HIS A 8 -28.024 9.086 -14.705 1.00 0.00 N ATOM 0 H HIS A 8 -30.526 6.383 -17.492 1.00 0.00 H new ATOM 0 HA HIS A 8 -28.699 5.593 -16.446 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -30.618 5.849 -14.172 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -29.078 5.054 -13.910 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -28.783 7.991 -16.386 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -27.553 9.458 -12.607 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -27.679 9.934 -15.154 1.00 0.00 H new ATOM 83 N SER A 9 -28.684 3.187 -16.798 1.00 0.00 N ATOM 84 CA SER A 9 -28.578 1.747 -16.956 1.00 0.00 C ATOM 85 C SER A 9 -27.158 1.371 -17.386 1.00 0.00 C ATOM 86 O SER A 9 -26.492 0.583 -16.717 1.00 0.00 O ATOM 87 CB SER A 9 -29.595 1.228 -17.975 1.00 0.00 C ATOM 88 OG SER A 9 -30.734 0.649 -17.345 1.00 0.00 O ATOM 0 H SER A 9 -27.978 3.725 -17.301 1.00 0.00 H new ATOM 0 HA SER A 9 -28.796 1.281 -15.995 1.00 0.00 H new ATOM 0 HB2 SER A 9 -29.914 2.048 -18.618 1.00 0.00 H new ATOM 0 HB3 SER A 9 -29.119 0.486 -18.616 1.00 0.00 H new ATOM 0 HG SER A 9 -31.013 1.211 -16.592 1.00 0.00 H new ATOM 94 N HIS A 10 -26.737 1.954 -18.499 1.00 0.00 N ATOM 95 CA HIS A 10 -25.409 1.690 -19.025 1.00 0.00 C ATOM 96 C HIS A 10 -24.398 1.665 -17.877 1.00 0.00 C ATOM 97 O HIS A 10 -24.585 2.338 -16.865 1.00 0.00 O ATOM 98 CB HIS A 10 -25.045 2.702 -20.113 1.00 0.00 C ATOM 99 CG HIS A 10 -24.612 2.074 -21.416 1.00 0.00 C ATOM 100 ND1 HIS A 10 -23.614 2.610 -22.212 1.00 0.00 N ATOM 101 CD2 HIS A 10 -25.050 0.951 -22.053 1.00 0.00 C ATOM 102 CE1 HIS A 10 -23.468 1.836 -23.277 1.00 0.00 C ATOM 103 NE2 HIS A 10 -24.359 0.809 -23.177 1.00 0.00 N ATOM 0 H HIS A 10 -27.292 2.608 -19.051 1.00 0.00 H new ATOM 0 HA HIS A 10 -25.391 0.710 -19.501 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -25.905 3.345 -20.300 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -24.243 3.342 -19.746 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -25.828 0.289 -21.702 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -22.766 1.991 -24.083 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -24.475 0.056 -23.855 1.00 0.00 H new ATOM 111 N SER A 11 -23.348 0.880 -18.073 1.00 0.00 N ATOM 112 CA SER A 11 -22.307 0.757 -17.066 1.00 0.00 C ATOM 113 C SER A 11 -20.940 0.629 -17.741 1.00 0.00 C ATOM 114 O SER A 11 -20.402 -0.471 -17.858 1.00 0.00 O ATOM 115 CB SER A 11 -22.563 -0.443 -16.153 1.00 0.00 C ATOM 116 OG SER A 11 -23.684 -0.234 -15.298 1.00 0.00 O ATOM 0 H SER A 11 -23.196 0.323 -18.914 1.00 0.00 H new ATOM 0 HA SER A 11 -22.318 1.656 -16.450 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.732 -1.332 -16.761 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.676 -0.634 -15.548 1.00 0.00 H new ATOM 0 HG SER A 11 -24.487 -0.087 -15.841 1.00 0.00 H new ATOM 122 N ASP A 12 -20.416 1.770 -18.166 1.00 0.00 N ATOM 123 CA ASP A 12 -19.122 1.799 -18.826 1.00 0.00 C ATOM 124 C ASP A 12 -18.146 2.626 -17.987 1.00 0.00 C ATOM 125 O ASP A 12 -17.852 3.773 -18.321 1.00 0.00 O ATOM 126 CB ASP A 12 -19.223 2.446 -20.209 1.00 0.00 C ATOM 127 CG ASP A 12 -19.407 1.465 -21.369 1.00 0.00 C ATOM 128 OD1 ASP A 12 -20.416 0.728 -21.335 1.00 0.00 O ATOM 129 OD2 ASP A 12 -18.535 1.476 -22.265 1.00 0.00 O ATOM 0 H ASP A 12 -20.864 2.681 -18.066 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.775 0.771 -18.934 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.060 3.144 -20.207 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -18.321 3.031 -20.387 1.00 0.00 H new ATOM 134 N LYS A 13 -17.670 2.012 -16.914 1.00 0.00 N ATOM 135 CA LYS A 13 -16.732 2.678 -16.025 1.00 0.00 C ATOM 136 C LYS A 13 -15.629 1.696 -15.627 1.00 0.00 C ATOM 137 O LYS A 13 -15.726 1.032 -14.596 1.00 0.00 O ATOM 138 CB LYS A 13 -17.469 3.292 -14.833 1.00 0.00 C ATOM 139 CG LYS A 13 -18.192 4.578 -15.239 1.00 0.00 C ATOM 140 CD LYS A 13 -18.084 5.637 -14.140 1.00 0.00 C ATOM 141 CE LYS A 13 -19.464 5.991 -13.582 1.00 0.00 C ATOM 142 NZ LYS A 13 -19.858 5.033 -12.525 1.00 0.00 N ATOM 0 H LYS A 13 -17.916 1.061 -16.640 1.00 0.00 H new ATOM 0 HA LYS A 13 -16.248 3.511 -16.535 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -18.189 2.575 -14.437 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.760 3.506 -14.033 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.764 4.964 -16.164 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -19.241 4.362 -15.439 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.446 5.268 -13.336 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.608 6.533 -14.539 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.450 7.003 -13.177 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -20.201 5.979 -14.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.797 5.288 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.891 4.072 -12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.163 5.064 -11.752 1.00 0.00 H new ATOM 156 N HIS A 14 -14.605 1.634 -16.465 1.00 0.00 N ATOM 157 CA HIS A 14 -13.484 0.744 -16.214 1.00 0.00 C ATOM 158 C HIS A 14 -12.931 0.999 -14.810 1.00 0.00 C ATOM 159 O HIS A 14 -12.963 2.128 -14.323 1.00 0.00 O ATOM 160 CB HIS A 14 -12.421 0.887 -17.305 1.00 0.00 C ATOM 161 CG HIS A 14 -12.973 0.845 -18.710 1.00 0.00 C ATOM 162 ND1 HIS A 14 -13.164 -0.336 -19.405 1.00 0.00 N ATOM 163 CD2 HIS A 14 -13.374 1.851 -19.540 1.00 0.00 C ATOM 164 CE1 HIS A 14 -13.657 -0.043 -20.600 1.00 0.00 C ATOM 165 NE2 HIS A 14 -13.786 1.313 -20.682 1.00 0.00 N ATOM 0 H HIS A 14 -14.528 2.186 -17.319 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.822 -0.292 -16.251 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.892 1.829 -17.161 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.687 0.089 -17.190 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -13.359 2.906 -19.308 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.912 -0.753 -21.373 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -14.140 1.828 -21.488 1.00 0.00 H new ATOM 173 N PRO A 15 -12.425 -0.097 -14.184 1.00 0.00 N ATOM 174 CA PRO A 15 -11.866 -0.002 -12.846 1.00 0.00 C ATOM 175 C PRO A 15 -10.488 0.662 -12.873 1.00 0.00 C ATOM 176 O PRO A 15 -10.224 1.584 -12.103 1.00 0.00 O ATOM 177 CB PRO A 15 -11.826 -1.433 -12.335 1.00 0.00 C ATOM 178 CG PRO A 15 -11.926 -2.319 -13.567 1.00 0.00 C ATOM 179 CD PRO A 15 -12.371 -1.449 -14.731 1.00 0.00 C ATOM 0 HA PRO A 15 -12.462 0.627 -12.185 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.903 -1.627 -11.788 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.650 -1.625 -11.648 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.963 -2.783 -13.783 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.639 -3.127 -13.400 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.670 -1.512 -15.563 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.344 -1.762 -15.110 1.00 0.00 H new ATOM 187 N VAL A 16 -9.645 0.167 -13.768 1.00 0.00 N ATOM 188 CA VAL A 16 -8.301 0.701 -13.905 1.00 0.00 C ATOM 189 C VAL A 16 -8.285 1.751 -15.017 1.00 0.00 C ATOM 190 O VAL A 16 -9.101 1.700 -15.936 1.00 0.00 O ATOM 191 CB VAL A 16 -7.307 -0.438 -14.145 1.00 0.00 C ATOM 192 CG1 VAL A 16 -7.701 -1.685 -13.350 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.185 -0.754 -15.637 1.00 0.00 C ATOM 0 H VAL A 16 -9.867 -0.598 -14.405 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.992 1.197 -12.985 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.329 -0.110 -13.792 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.979 -2.480 -13.538 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.713 -1.449 -12.286 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.693 -2.015 -13.659 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.473 -1.567 -15.780 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.158 -1.052 -16.027 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.837 0.131 -16.169 1.00 0.00 H new ATOM 203 N THR A 17 -7.348 2.680 -14.897 1.00 0.00 N ATOM 204 CA THR A 17 -7.215 3.741 -15.881 1.00 0.00 C ATOM 205 C THR A 17 -5.766 4.229 -15.947 1.00 0.00 C ATOM 206 O THR A 17 -5.201 4.644 -14.936 1.00 0.00 O ATOM 207 CB THR A 17 -8.212 4.844 -15.523 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.420 4.685 -14.123 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.595 4.605 -16.134 1.00 0.00 C ATOM 0 H THR A 17 -6.673 2.720 -14.133 1.00 0.00 H new ATOM 0 HA THR A 17 -7.450 3.383 -16.883 1.00 0.00 H new ATOM 0 HB THR A 17 -7.826 5.805 -15.863 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.054 5.363 -13.807 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.264 5.417 -15.849 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.511 4.568 -17.220 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.996 3.659 -15.769 1.00 0.00 H new ATOM 217 N TRP A 18 -5.207 4.163 -17.146 1.00 0.00 N ATOM 218 CA TRP A 18 -3.836 4.593 -17.357 1.00 0.00 C ATOM 219 C TRP A 18 -3.866 5.885 -18.177 1.00 0.00 C ATOM 220 O TRP A 18 -4.186 5.863 -19.364 1.00 0.00 O ATOM 221 CB TRP A 18 -3.009 3.487 -18.015 1.00 0.00 C ATOM 222 CG TRP A 18 -2.704 2.305 -17.093 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.446 1.209 -16.883 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.538 2.144 -16.258 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.846 0.357 -15.978 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.649 0.944 -15.586 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.426 2.985 -16.077 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.682 0.476 -14.688 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.532 2.503 -15.177 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.435 1.298 -14.492 1.00 0.00 C ATOM 0 H TRP A 18 -5.679 3.818 -17.982 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.345 4.796 -16.405 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.543 3.122 -18.892 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.069 3.911 -18.368 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.395 1.017 -17.362 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.213 -0.538 -15.656 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.319 3.928 -16.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.791 -0.468 -14.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.408 3.110 -15.003 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.217 0.997 -13.811 1.00 0.00 H new ATOM 241 N GLN A 19 -3.528 6.979 -17.510 1.00 0.00 N ATOM 242 CA GLN A 19 -3.512 8.277 -18.162 1.00 0.00 C ATOM 243 C GLN A 19 -2.257 9.056 -17.765 1.00 0.00 C ATOM 244 O GLN A 19 -1.731 8.875 -16.668 1.00 0.00 O ATOM 245 CB GLN A 19 -4.777 9.072 -17.832 1.00 0.00 C ATOM 246 CG GLN A 19 -6.017 8.400 -18.425 1.00 0.00 C ATOM 247 CD GLN A 19 -6.234 8.832 -19.877 1.00 0.00 C ATOM 248 OE1 GLN A 19 -5.845 9.910 -20.295 1.00 0.00 O ATOM 249 NE2 GLN A 19 -6.875 7.934 -20.619 1.00 0.00 N ATOM 0 H GLN A 19 -3.263 6.993 -16.525 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.492 8.119 -19.240 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.886 9.156 -16.751 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.686 10.085 -18.223 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.906 7.317 -18.377 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.894 8.657 -17.831 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.173 7.050 -20.206 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.068 8.129 -21.601 1.00 0.00 H new ATOM 258 N PRO A 20 -1.800 9.928 -18.703 1.00 0.00 N ATOM 259 CA PRO A 20 -0.616 10.735 -18.462 1.00 0.00 C ATOM 260 C PRO A 20 -0.921 11.881 -17.494 1.00 0.00 C ATOM 261 O PRO A 20 -2.072 12.292 -17.357 1.00 0.00 O ATOM 262 CB PRO A 20 -0.182 11.218 -19.836 1.00 0.00 C ATOM 263 CG PRO A 20 -1.394 11.052 -20.738 1.00 0.00 C ATOM 264 CD PRO A 20 -2.397 10.169 -20.013 1.00 0.00 C ATOM 0 HA PRO A 20 0.185 10.173 -17.981 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.139 12.259 -19.801 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.663 10.636 -20.206 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.835 12.022 -20.967 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.105 10.601 -21.687 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.365 10.661 -19.922 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.563 9.235 -20.550 1.00 0.00 H new ATOM 272 N SER A 21 0.131 12.363 -16.849 1.00 0.00 N ATOM 273 CA SER A 21 -0.010 13.453 -15.898 1.00 0.00 C ATOM 274 C SER A 21 -0.334 14.753 -16.637 1.00 0.00 C ATOM 275 O SER A 21 -0.498 14.754 -17.856 1.00 0.00 O ATOM 276 CB SER A 21 1.259 13.621 -15.060 1.00 0.00 C ATOM 277 OG SER A 21 2.212 14.467 -15.698 1.00 0.00 O ATOM 0 H SER A 21 1.084 12.019 -16.966 1.00 0.00 H new ATOM 0 HA SER A 21 -0.830 13.213 -15.221 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.998 14.038 -14.087 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.706 12.643 -14.879 1.00 0.00 H new ATOM 0 HG SER A 21 3.007 14.550 -15.131 1.00 0.00 H new ATOM 283 N LYS A 22 -0.415 15.829 -15.868 1.00 0.00 N ATOM 284 CA LYS A 22 -0.716 17.133 -16.434 1.00 0.00 C ATOM 285 C LYS A 22 0.235 17.409 -17.601 1.00 0.00 C ATOM 286 O LYS A 22 -0.204 17.757 -18.696 1.00 0.00 O ATOM 287 CB LYS A 22 -0.685 18.209 -15.348 1.00 0.00 C ATOM 288 CG LYS A 22 -1.634 19.360 -15.688 1.00 0.00 C ATOM 289 CD LYS A 22 -0.914 20.446 -16.490 1.00 0.00 C ATOM 290 CE LYS A 22 -0.565 21.642 -15.602 1.00 0.00 C ATOM 291 NZ LYS A 22 -1.746 22.515 -15.421 1.00 0.00 N ATOM 0 H LYS A 22 -0.277 15.824 -14.857 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.729 17.149 -16.836 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.967 17.772 -14.390 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.330 18.590 -15.238 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.480 18.981 -16.261 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.036 19.788 -14.770 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.004 20.036 -16.929 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.546 20.773 -17.315 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.212 21.292 -14.632 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.249 22.210 -16.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.492 23.322 -14.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.065 22.864 -16.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.512 21.974 -14.972 1.00 0.00 H new ATOM 305 N ASP A 23 1.521 17.244 -17.326 1.00 0.00 N ATOM 306 CA ASP A 23 2.538 17.472 -18.339 1.00 0.00 C ATOM 307 C ASP A 23 2.395 16.423 -19.443 1.00 0.00 C ATOM 308 O ASP A 23 2.031 16.750 -20.572 1.00 0.00 O ATOM 309 CB ASP A 23 3.943 17.346 -17.747 1.00 0.00 C ATOM 310 CG ASP A 23 4.948 18.388 -18.240 1.00 0.00 C ATOM 311 OD1 ASP A 23 5.557 18.132 -19.302 1.00 0.00 O ATOM 312 OD2 ASP A 23 5.085 19.419 -17.546 1.00 0.00 O ATOM 0 H ASP A 23 1.882 16.955 -16.417 1.00 0.00 H new ATOM 0 HA ASP A 23 2.402 18.479 -18.733 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.871 17.417 -16.662 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.330 16.353 -17.976 1.00 0.00 H new ATOM 317 N GLY A 24 2.689 15.183 -19.080 1.00 0.00 N ATOM 318 CA GLY A 24 2.598 14.084 -20.025 1.00 0.00 C ATOM 319 C GLY A 24 3.858 13.218 -19.984 1.00 0.00 C ATOM 320 O GLY A 24 3.807 12.025 -20.278 1.00 0.00 O ATOM 0 H GLY A 24 2.991 14.915 -18.143 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.725 13.473 -19.794 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.455 14.477 -21.032 1.00 0.00 H new ATOM 324 N ASP A 25 4.962 13.853 -19.615 1.00 0.00 N ATOM 325 CA ASP A 25 6.234 13.156 -19.531 1.00 0.00 C ATOM 326 C ASP A 25 6.091 11.954 -18.595 1.00 0.00 C ATOM 327 O ASP A 25 6.902 11.031 -18.636 1.00 0.00 O ATOM 328 CB ASP A 25 7.325 14.068 -18.967 1.00 0.00 C ATOM 329 CG ASP A 25 8.476 14.371 -19.928 1.00 0.00 C ATOM 330 OD1 ASP A 25 9.087 13.392 -20.408 1.00 0.00 O ATOM 331 OD2 ASP A 25 8.719 15.575 -20.161 1.00 0.00 O ATOM 0 H ASP A 25 5.001 14.843 -19.371 1.00 0.00 H new ATOM 0 HA ASP A 25 6.513 12.840 -20.536 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.869 15.010 -18.663 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.734 13.607 -18.068 1.00 0.00 H new ATOM 336 N ARG A 26 5.052 12.005 -17.774 1.00 0.00 N ATOM 337 CA ARG A 26 4.793 10.932 -16.829 1.00 0.00 C ATOM 338 C ARG A 26 3.484 10.221 -17.180 1.00 0.00 C ATOM 339 O ARG A 26 2.657 10.762 -17.912 1.00 0.00 O ATOM 340 CB ARG A 26 4.707 11.466 -15.398 1.00 0.00 C ATOM 341 CG ARG A 26 6.100 11.757 -14.837 1.00 0.00 C ATOM 342 CD ARG A 26 6.764 10.477 -14.326 1.00 0.00 C ATOM 343 NE ARG A 26 8.177 10.431 -14.762 1.00 0.00 N ATOM 344 CZ ARG A 26 9.082 9.564 -14.288 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.726 8.665 -13.360 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.343 9.596 -14.741 1.00 0.00 N ATOM 0 H ARG A 26 4.380 12.772 -17.744 1.00 0.00 H new ATOM 0 HA ARG A 26 5.622 10.227 -16.892 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.107 12.376 -15.381 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.201 10.738 -14.764 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.721 12.209 -15.611 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.025 12.481 -14.026 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.709 10.438 -13.238 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.230 9.605 -14.703 1.00 0.00 H new ATOM 0 HE ARG A 26 8.481 11.101 -15.468 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.766 8.641 -13.015 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.415 8.005 -12.999 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.614 10.281 -15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.032 8.936 -14.380 1.00 0.00 H new ATOM 360 N LEU A 27 3.338 9.019 -16.642 1.00 0.00 N ATOM 361 CA LEU A 27 2.144 8.228 -16.889 1.00 0.00 C ATOM 362 C LEU A 27 1.541 7.791 -15.553 1.00 0.00 C ATOM 363 O LEU A 27 2.147 7.011 -14.820 1.00 0.00 O ATOM 364 CB LEU A 27 2.458 7.065 -17.832 1.00 0.00 C ATOM 365 CG LEU A 27 1.353 6.684 -18.819 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.016 7.307 -18.412 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.745 7.054 -20.251 1.00 0.00 C ATOM 0 H LEU A 27 4.027 8.573 -16.036 1.00 0.00 H new ATOM 0 HA LEU A 27 1.389 8.827 -17.399 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.354 7.315 -18.400 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.697 6.189 -17.229 1.00 0.00 H new ATOM 0 HG LEU A 27 1.227 5.602 -18.789 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.752 7.021 -19.130 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.264 6.952 -17.420 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.111 8.393 -18.395 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.942 6.772 -20.932 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.915 8.129 -20.315 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.657 6.525 -20.527 1.00 0.00 H new ATOM 379 N ILE A 28 0.356 8.314 -15.276 1.00 0.00 N ATOM 380 CA ILE A 28 -0.336 7.988 -14.040 1.00 0.00 C ATOM 381 C ILE A 28 -1.263 6.795 -14.280 1.00 0.00 C ATOM 382 O ILE A 28 -2.222 6.893 -15.043 1.00 0.00 O ATOM 383 CB ILE A 28 -1.052 9.221 -13.485 1.00 0.00 C ATOM 384 CG1 ILE A 28 -0.140 10.449 -13.526 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.592 8.955 -12.079 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.245 10.122 -12.963 1.00 0.00 C ATOM 0 H ILE A 28 -0.143 8.961 -15.886 1.00 0.00 H new ATOM 0 HA ILE A 28 0.377 7.690 -13.271 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.909 9.435 -14.124 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.045 10.802 -14.553 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.588 11.259 -12.951 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.096 9.847 -11.708 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.299 8.126 -12.112 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.766 8.702 -11.414 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.874 11.012 -13.004 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.149 9.793 -11.928 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.701 9.329 -13.555 1.00 0.00 H new ATOM 398 N GLY A 29 -0.944 5.695 -13.613 1.00 0.00 N ATOM 399 CA GLY A 29 -1.737 4.485 -13.743 1.00 0.00 C ATOM 400 C GLY A 29 -2.614 4.268 -12.509 1.00 0.00 C ATOM 401 O GLY A 29 -2.165 4.467 -11.381 1.00 0.00 O ATOM 0 H GLY A 29 -0.147 5.617 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.364 4.551 -14.632 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.078 3.627 -13.881 1.00 0.00 H new ATOM 405 N ARG A 30 -3.850 3.863 -12.764 1.00 0.00 N ATOM 406 CA ARG A 30 -4.794 3.617 -11.688 1.00 0.00 C ATOM 407 C ARG A 30 -5.364 2.201 -11.795 1.00 0.00 C ATOM 408 O ARG A 30 -5.883 1.814 -12.841 1.00 0.00 O ATOM 409 CB ARG A 30 -5.944 4.626 -11.723 1.00 0.00 C ATOM 410 CG ARG A 30 -5.882 5.570 -10.520 1.00 0.00 C ATOM 411 CD ARG A 30 -6.749 6.809 -10.750 1.00 0.00 C ATOM 412 NE ARG A 30 -5.931 8.034 -10.606 1.00 0.00 N ATOM 413 CZ ARG A 30 -6.333 9.254 -10.986 1.00 0.00 C ATOM 414 NH1 ARG A 30 -7.544 9.420 -11.535 1.00 0.00 N ATOM 415 NH2 ARG A 30 -5.524 10.309 -10.817 1.00 0.00 N ATOM 0 H ARG A 30 -4.219 3.699 -13.701 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.258 3.726 -10.745 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.898 5.204 -12.646 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.897 4.097 -11.726 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.219 5.047 -9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.850 5.872 -10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.192 6.773 -11.745 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.572 6.825 -10.035 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.003 7.944 -10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.160 8.617 -11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.850 10.349 -11.824 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.602 10.183 -10.399 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.830 11.238 -11.106 1.00 0.00 H new ATOM 429 N ILE A 31 -5.248 1.467 -10.698 1.00 0.00 N ATOM 430 CA ILE A 31 -5.745 0.102 -10.656 1.00 0.00 C ATOM 431 C ILE A 31 -6.776 -0.026 -9.532 1.00 0.00 C ATOM 432 O ILE A 31 -6.451 0.167 -8.362 1.00 0.00 O ATOM 433 CB ILE A 31 -4.585 -0.888 -10.541 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.810 -0.979 -11.858 1.00 0.00 C ATOM 435 CG2 ILE A 31 -5.076 -2.258 -10.070 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.645 0.012 -11.878 1.00 0.00 C ATOM 0 H ILE A 31 -4.817 1.791 -9.832 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.254 -0.146 -11.587 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.894 -0.517 -9.784 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.432 -1.993 -11.993 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.480 -0.775 -12.693 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.231 -2.942 -9.997 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.548 -2.159 -9.093 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.800 -2.650 -10.784 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.111 -0.073 -12.824 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.028 1.026 -11.768 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.964 -0.210 -11.056 1.00 0.00 H new ATOM 448 N LEU A 32 -7.998 -0.351 -9.927 1.00 0.00 N ATOM 449 CA LEU A 32 -9.078 -0.507 -8.968 1.00 0.00 C ATOM 450 C LEU A 32 -9.485 -1.980 -8.899 1.00 0.00 C ATOM 451 O LEU A 32 -9.678 -2.623 -9.930 1.00 0.00 O ATOM 452 CB LEU A 32 -10.236 0.435 -9.306 1.00 0.00 C ATOM 453 CG LEU A 32 -11.436 0.390 -8.359 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.422 -0.702 -8.775 1.00 0.00 C ATOM 455 CD2 LEU A 32 -10.982 0.230 -6.906 1.00 0.00 C ATOM 0 H LEU A 32 -8.264 -0.511 -10.899 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.745 -0.221 -7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.854 1.455 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.584 0.204 -10.313 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.962 1.342 -8.429 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.266 -0.712 -8.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.781 -0.502 -9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.923 -1.671 -8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.854 0.201 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.419 -0.697 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.349 1.072 -6.628 1.00 0.00 H new ATOM 467 N LEU A 33 -9.603 -2.472 -7.675 1.00 0.00 N ATOM 468 CA LEU A 33 -9.983 -3.857 -7.458 1.00 0.00 C ATOM 469 C LEU A 33 -11.320 -3.905 -6.716 1.00 0.00 C ATOM 470 O LEU A 33 -11.593 -3.059 -5.866 1.00 0.00 O ATOM 471 CB LEU A 33 -8.859 -4.617 -6.750 1.00 0.00 C ATOM 472 CG LEU A 33 -7.507 -4.635 -7.466 1.00 0.00 C ATOM 473 CD1 LEU A 33 -7.691 -4.661 -8.985 1.00 0.00 C ATOM 474 CD2 LEU A 33 -6.631 -3.465 -7.015 1.00 0.00 C ATOM 0 H LEU A 33 -9.442 -1.936 -6.822 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.129 -4.365 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.718 -4.180 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.182 -5.647 -6.600 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.987 -5.552 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.715 -4.673 -9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.248 -5.554 -9.269 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.241 -3.774 -9.300 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.676 -3.502 -7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.134 -2.525 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.458 -3.533 -5.941 1.00 0.00 H new ATOM 486 N ASN A 34 -12.118 -4.904 -7.064 1.00 0.00 N ATOM 487 CA ASN A 34 -13.420 -5.073 -6.441 1.00 0.00 C ATOM 488 C ASN A 34 -13.495 -6.457 -5.794 1.00 0.00 C ATOM 489 O ASN A 34 -13.105 -7.452 -6.402 1.00 0.00 O ATOM 490 CB ASN A 34 -14.543 -4.973 -7.476 1.00 0.00 C ATOM 491 CG ASN A 34 -15.911 -4.895 -6.795 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.199 -5.597 -5.840 1.00 0.00 O ATOM 493 ND2 ASN A 34 -16.735 -4.004 -7.339 1.00 0.00 N ATOM 0 H ASN A 34 -11.888 -5.604 -7.769 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.543 -4.285 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -14.392 -4.091 -8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.511 -5.839 -8.137 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -17.672 -3.876 -6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -16.430 -3.448 -8.138 1.00 0.00 H new ATOM 500 N LYS A 35 -13.999 -6.475 -4.568 1.00 0.00 N ATOM 501 CA LYS A 35 -14.130 -7.721 -3.832 1.00 0.00 C ATOM 502 C LYS A 35 -15.603 -8.133 -3.794 1.00 0.00 C ATOM 503 O LYS A 35 -15.931 -9.298 -4.016 1.00 0.00 O ATOM 504 CB LYS A 35 -13.491 -7.595 -2.448 1.00 0.00 C ATOM 505 CG LYS A 35 -11.982 -7.364 -2.560 1.00 0.00 C ATOM 506 CD LYS A 35 -11.400 -6.890 -1.226 1.00 0.00 C ATOM 507 CE LYS A 35 -9.968 -7.397 -1.043 1.00 0.00 C ATOM 508 NZ LYS A 35 -8.995 -6.382 -1.504 1.00 0.00 N ATOM 0 H LYS A 35 -14.321 -5.647 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.588 -8.521 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.950 -6.768 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.682 -8.500 -1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.491 -8.287 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.780 -6.623 -3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.412 -5.801 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.023 -7.246 -0.406 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.790 -7.629 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.829 -8.322 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.028 -6.743 -1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.155 -6.180 -2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.117 -5.509 -0.952 1.00 0.00 H new ATOM 522 N ARG A 36 -16.451 -7.155 -3.510 1.00 0.00 N ATOM 523 CA ARG A 36 -17.881 -7.402 -3.440 1.00 0.00 C ATOM 524 C ARG A 36 -18.304 -8.386 -4.532 1.00 0.00 C ATOM 525 O ARG A 36 -18.202 -8.083 -5.719 1.00 0.00 O ATOM 526 CB ARG A 36 -18.673 -6.102 -3.600 1.00 0.00 C ATOM 527 CG ARG A 36 -18.772 -5.353 -2.269 1.00 0.00 C ATOM 528 CD ARG A 36 -19.492 -4.015 -2.446 1.00 0.00 C ATOM 529 NE ARG A 36 -20.663 -3.948 -1.543 1.00 0.00 N ATOM 530 CZ ARG A 36 -21.623 -3.017 -1.625 1.00 0.00 C ATOM 531 NH1 ARG A 36 -21.557 -2.069 -2.570 1.00 0.00 N ATOM 532 NH2 ARG A 36 -22.648 -3.033 -0.763 1.00 0.00 N ATOM 0 H ARG A 36 -16.175 -6.190 -3.326 1.00 0.00 H new ATOM 0 HA ARG A 36 -18.096 -7.827 -2.460 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.191 -5.467 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.673 -6.325 -3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.307 -5.965 -1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.773 -5.182 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.809 -3.193 -2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -19.813 -3.899 -3.481 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.744 -4.655 -0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -20.776 -2.057 -3.226 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -22.288 -1.360 -2.633 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.698 -3.754 -0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.378 -2.324 -0.826 1.00 0.00 H new ATOM 546 N LEU A 37 -18.771 -9.545 -4.090 1.00 0.00 N ATOM 547 CA LEU A 37 -19.210 -10.576 -5.016 1.00 0.00 C ATOM 548 C LEU A 37 -20.279 -9.999 -5.946 1.00 0.00 C ATOM 549 O LEU A 37 -20.595 -8.812 -5.873 1.00 0.00 O ATOM 550 CB LEU A 37 -19.667 -11.821 -4.253 1.00 0.00 C ATOM 551 CG LEU A 37 -18.597 -12.524 -3.414 1.00 0.00 C ATOM 552 CD1 LEU A 37 -19.186 -13.051 -2.104 1.00 0.00 C ATOM 553 CD2 LEU A 37 -17.908 -13.629 -4.218 1.00 0.00 C ATOM 0 H LEU A 37 -18.855 -9.793 -3.104 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.381 -10.901 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -20.489 -11.538 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -20.066 -12.537 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.833 -11.792 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.405 -13.546 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.592 -12.220 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.982 -13.763 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.152 -14.112 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.647 -14.367 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.433 -13.196 -5.098 1.00 0.00 H new ATOM 565 N LYS A 38 -20.805 -10.865 -6.799 1.00 0.00 N ATOM 566 CA LYS A 38 -21.832 -10.456 -7.743 1.00 0.00 C ATOM 567 C LYS A 38 -23.040 -9.919 -6.974 1.00 0.00 C ATOM 568 O LYS A 38 -23.633 -8.914 -7.365 1.00 0.00 O ATOM 569 CB LYS A 38 -22.170 -11.603 -8.697 1.00 0.00 C ATOM 570 CG LYS A 38 -22.033 -11.162 -10.156 1.00 0.00 C ATOM 571 CD LYS A 38 -21.629 -12.336 -11.049 1.00 0.00 C ATOM 572 CE LYS A 38 -20.762 -11.864 -12.217 1.00 0.00 C ATOM 573 NZ LYS A 38 -21.608 -11.507 -13.379 1.00 0.00 N ATOM 0 H LYS A 38 -20.540 -11.848 -6.857 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.469 -9.645 -8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -21.508 -12.447 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -23.187 -11.947 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.978 -10.745 -10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.288 -10.370 -10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.083 -13.074 -10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -22.522 -12.831 -11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.169 -11.001 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.061 -12.650 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.004 -11.189 -14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.155 -12.339 -13.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.260 -10.742 -13.112 1.00 0.00 H new ATOM 587 N ASP A 39 -23.371 -10.612 -5.894 1.00 0.00 N ATOM 588 CA ASP A 39 -24.498 -10.217 -5.067 1.00 0.00 C ATOM 589 C ASP A 39 -24.265 -8.801 -4.537 1.00 0.00 C ATOM 590 O ASP A 39 -25.173 -7.972 -4.552 1.00 0.00 O ATOM 591 CB ASP A 39 -24.654 -11.152 -3.866 1.00 0.00 C ATOM 592 CG ASP A 39 -26.042 -11.776 -3.708 1.00 0.00 C ATOM 593 OD1 ASP A 39 -26.959 -11.026 -3.311 1.00 0.00 O ATOM 594 OD2 ASP A 39 -26.154 -12.989 -3.988 1.00 0.00 O ATOM 0 H ASP A 39 -22.878 -11.445 -5.573 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.398 -10.263 -5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.920 -11.953 -3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.417 -10.596 -2.959 1.00 0.00 H new ATOM 599 N GLY A 40 -23.043 -8.568 -4.081 1.00 0.00 N ATOM 600 CA GLY A 40 -22.679 -7.266 -3.547 1.00 0.00 C ATOM 601 C GLY A 40 -22.232 -7.378 -2.089 1.00 0.00 C ATOM 602 O GLY A 40 -22.716 -6.642 -1.229 1.00 0.00 O ATOM 0 H GLY A 40 -22.292 -9.259 -4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -21.876 -6.835 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -23.530 -6.588 -3.619 1.00 0.00 H new ATOM 606 N SER A 41 -21.313 -8.303 -1.854 1.00 0.00 N ATOM 607 CA SER A 41 -20.795 -8.520 -0.514 1.00 0.00 C ATOM 608 C SER A 41 -19.401 -9.146 -0.586 1.00 0.00 C ATOM 609 O SER A 41 -19.153 -10.024 -1.412 1.00 0.00 O ATOM 610 CB SER A 41 -21.735 -9.410 0.303 1.00 0.00 C ATOM 611 OG SER A 41 -23.066 -8.902 0.325 1.00 0.00 O ATOM 0 H SER A 41 -20.914 -8.911 -2.569 1.00 0.00 H new ATOM 0 HA SER A 41 -20.727 -7.554 -0.014 1.00 0.00 H new ATOM 0 HB2 SER A 41 -21.738 -10.416 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.361 -9.492 1.324 1.00 0.00 H new ATOM 0 HG SER A 41 -23.635 -9.499 0.855 1.00 0.00 H new ATOM 617 N VAL A 42 -18.527 -8.671 0.289 1.00 0.00 N ATOM 618 CA VAL A 42 -17.165 -9.173 0.334 1.00 0.00 C ATOM 619 C VAL A 42 -17.149 -10.530 1.041 1.00 0.00 C ATOM 620 O VAL A 42 -17.684 -10.667 2.140 1.00 0.00 O ATOM 621 CB VAL A 42 -16.249 -8.143 0.997 1.00 0.00 C ATOM 622 CG1 VAL A 42 -14.847 -8.716 1.218 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.191 -6.852 0.177 1.00 0.00 C ATOM 0 H VAL A 42 -18.736 -7.943 0.973 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.782 -9.327 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.669 -7.901 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.216 -7.963 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -14.910 -9.593 1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.415 -9.001 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.533 -6.137 0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.807 -7.071 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.192 -6.428 0.095 1.00 0.00 H new ATOM 633 N PRO A 43 -16.514 -11.524 0.364 1.00 0.00 N ATOM 634 CA PRO A 43 -16.421 -12.865 0.915 1.00 0.00 C ATOM 635 C PRO A 43 -15.388 -12.924 2.042 1.00 0.00 C ATOM 636 O PRO A 43 -14.804 -11.905 2.408 1.00 0.00 O ATOM 637 CB PRO A 43 -16.065 -13.752 -0.266 1.00 0.00 C ATOM 638 CG PRO A 43 -15.516 -12.822 -1.335 1.00 0.00 C ATOM 639 CD PRO A 43 -15.869 -11.397 -0.940 1.00 0.00 C ATOM 0 HA PRO A 43 -17.351 -13.196 1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.326 -14.501 0.017 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.941 -14.290 -0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.436 -12.937 -1.423 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -15.943 -13.065 -2.308 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.979 -10.770 -0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -16.536 -10.938 -1.669 1.00 0.00 H new ATOM 647 N ARG A 44 -15.193 -14.128 2.560 1.00 0.00 N ATOM 648 CA ARG A 44 -14.240 -14.334 3.637 1.00 0.00 C ATOM 649 C ARG A 44 -13.007 -13.452 3.431 1.00 0.00 C ATOM 650 O ARG A 44 -12.494 -12.862 4.381 1.00 0.00 O ATOM 651 CB ARG A 44 -13.804 -15.798 3.715 1.00 0.00 C ATOM 652 CG ARG A 44 -14.164 -16.406 5.073 1.00 0.00 C ATOM 653 CD ARG A 44 -12.923 -16.974 5.764 1.00 0.00 C ATOM 654 NE ARG A 44 -13.271 -17.440 7.125 1.00 0.00 N ATOM 655 CZ ARG A 44 -12.370 -17.812 8.045 1.00 0.00 C ATOM 656 NH1 ARG A 44 -11.062 -17.774 7.756 1.00 0.00 N ATOM 657 NH2 ARG A 44 -12.778 -18.221 9.255 1.00 0.00 N ATOM 0 H ARG A 44 -15.679 -14.971 2.254 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.732 -14.064 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.284 -16.367 2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.728 -15.870 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.622 -15.646 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.903 -17.196 4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.518 -17.800 5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.146 -16.211 5.819 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.258 -17.481 7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -10.752 -17.462 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.377 -18.057 8.456 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.774 -18.249 9.475 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.093 -18.504 9.955 1.00 0.00 H new ATOM 671 N ASP A 45 -12.566 -13.390 2.183 1.00 0.00 N ATOM 672 CA ASP A 45 -11.402 -12.591 1.839 1.00 0.00 C ATOM 673 C ASP A 45 -11.107 -12.743 0.346 1.00 0.00 C ATOM 674 O ASP A 45 -10.407 -13.670 -0.061 1.00 0.00 O ATOM 675 CB ASP A 45 -10.167 -13.053 2.615 1.00 0.00 C ATOM 676 CG ASP A 45 -9.102 -11.978 2.837 1.00 0.00 C ATOM 677 OD1 ASP A 45 -9.481 -10.902 3.349 1.00 0.00 O ATOM 678 OD2 ASP A 45 -7.934 -12.255 2.489 1.00 0.00 O ATOM 0 H ASP A 45 -12.994 -13.880 1.398 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.619 -11.553 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.487 -13.431 3.586 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.713 -13.888 2.081 1.00 0.00 H new ATOM 683 N SER A 46 -11.655 -11.820 -0.431 1.00 0.00 N ATOM 684 CA SER A 46 -11.459 -11.840 -1.870 1.00 0.00 C ATOM 685 C SER A 46 -10.076 -11.284 -2.218 1.00 0.00 C ATOM 686 O SER A 46 -9.962 -10.341 -3.000 1.00 0.00 O ATOM 687 CB SER A 46 -12.548 -11.040 -2.586 1.00 0.00 C ATOM 688 OG SER A 46 -12.510 -11.228 -3.998 1.00 0.00 O ATOM 0 H SER A 46 -12.235 -11.053 -0.090 1.00 0.00 H new ATOM 0 HA SER A 46 -11.524 -12.874 -2.209 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.525 -11.339 -2.207 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.428 -9.981 -2.358 1.00 0.00 H new ATOM 0 HG SER A 46 -11.641 -10.936 -4.344 1.00 0.00 H new ATOM 694 N GLY A 47 -9.062 -11.891 -1.620 1.00 0.00 N ATOM 695 CA GLY A 47 -7.692 -11.468 -1.857 1.00 0.00 C ATOM 696 C GLY A 47 -7.415 -10.114 -1.201 1.00 0.00 C ATOM 697 O GLY A 47 -7.299 -9.099 -1.887 1.00 0.00 O ATOM 0 H GLY A 47 -9.161 -12.672 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.003 -12.215 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.509 -11.401 -2.929 1.00 0.00 H new ATOM 701 N ALA A 48 -7.317 -10.141 0.120 1.00 0.00 N ATOM 702 CA ALA A 48 -7.056 -8.928 0.877 1.00 0.00 C ATOM 703 C ALA A 48 -5.841 -8.214 0.283 1.00 0.00 C ATOM 704 O ALA A 48 -5.818 -6.987 0.197 1.00 0.00 O ATOM 705 CB ALA A 48 -6.862 -9.279 2.353 1.00 0.00 C ATOM 0 H ALA A 48 -7.414 -10.984 0.686 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.904 -8.246 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.666 -8.369 2.921 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.764 -9.758 2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.018 -9.960 2.457 1.00 0.00 H new ATOM 711 N MET A 49 -4.860 -9.012 -0.113 1.00 0.00 N ATOM 712 CA MET A 49 -3.644 -8.471 -0.696 1.00 0.00 C ATOM 713 C MET A 49 -3.787 -8.309 -2.211 1.00 0.00 C ATOM 714 O MET A 49 -2.806 -8.055 -2.907 1.00 0.00 O ATOM 715 CB MET A 49 -2.471 -9.405 -0.391 1.00 0.00 C ATOM 716 CG MET A 49 -1.650 -8.887 0.791 1.00 0.00 C ATOM 717 SD MET A 49 -0.002 -8.466 0.251 1.00 0.00 S ATOM 718 CE MET A 49 -0.287 -6.812 -0.356 1.00 0.00 C ATOM 0 H MET A 49 -4.883 -10.029 -0.041 1.00 0.00 H new ATOM 0 HA MET A 49 -3.461 -7.489 -0.260 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.846 -10.404 -0.168 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.833 -9.493 -1.271 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.134 -8.012 1.225 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.603 -9.646 1.572 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.194 -6.693 -1.327 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.359 -6.642 -0.459 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.129 -6.090 0.346 1.00 0.00 H new ATOM 728 N LEU A 50 -5.018 -8.464 -2.676 1.00 0.00 N ATOM 729 CA LEU A 50 -5.303 -8.339 -4.096 1.00 0.00 C ATOM 730 C LEU A 50 -4.692 -9.527 -4.841 1.00 0.00 C ATOM 731 O LEU A 50 -5.403 -10.282 -5.503 1.00 0.00 O ATOM 732 CB LEU A 50 -4.834 -6.979 -4.618 1.00 0.00 C ATOM 733 CG LEU A 50 -5.461 -5.753 -3.952 1.00 0.00 C ATOM 734 CD1 LEU A 50 -6.974 -5.721 -4.175 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.099 -5.691 -2.466 1.00 0.00 C ATOM 0 H LEU A 50 -5.829 -8.675 -2.095 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.378 -8.370 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.752 -6.919 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.040 -6.932 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.048 -4.861 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.395 -4.839 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.183 -5.683 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.424 -6.618 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.557 -4.810 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.466 -6.587 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.016 -5.632 -2.357 1.00 0.00 H new ATOM 747 N GLY A 51 -3.380 -9.657 -4.708 1.00 0.00 N ATOM 748 CA GLY A 51 -2.665 -10.741 -5.361 1.00 0.00 C ATOM 749 C GLY A 51 -1.182 -10.402 -5.521 1.00 0.00 C ATOM 750 O GLY A 51 -0.347 -11.297 -5.648 1.00 0.00 O ATOM 0 H GLY A 51 -2.793 -9.030 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.772 -11.655 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.105 -10.934 -6.339 1.00 0.00 H new ATOM 754 N LEU A 52 -0.899 -9.108 -5.508 1.00 0.00 N ATOM 755 CA LEU A 52 0.469 -8.640 -5.650 1.00 0.00 C ATOM 756 C LEU A 52 1.061 -8.380 -4.263 1.00 0.00 C ATOM 757 O LEU A 52 0.334 -8.340 -3.272 1.00 0.00 O ATOM 758 CB LEU A 52 0.527 -7.427 -6.580 1.00 0.00 C ATOM 759 CG LEU A 52 0.470 -6.057 -5.901 1.00 0.00 C ATOM 760 CD1 LEU A 52 1.866 -5.595 -5.481 1.00 0.00 C ATOM 761 CD2 LEU A 52 -0.230 -5.030 -6.794 1.00 0.00 C ATOM 0 H LEU A 52 -1.594 -8.369 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 52 1.086 -9.405 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.447 -7.484 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.301 -7.495 -7.286 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.125 -6.151 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.797 -4.619 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.292 -6.314 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.505 -5.522 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.257 -4.065 -6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.316 -4.932 -7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.248 -5.360 -6.999 1.00 0.00 H new ATOM 773 N LYS A 53 2.375 -8.210 -4.238 1.00 0.00 N ATOM 774 CA LYS A 53 3.073 -7.955 -2.989 1.00 0.00 C ATOM 775 C LYS A 53 3.756 -6.587 -3.062 1.00 0.00 C ATOM 776 O LYS A 53 4.607 -6.360 -3.919 1.00 0.00 O ATOM 777 CB LYS A 53 4.029 -9.104 -2.666 1.00 0.00 C ATOM 778 CG LYS A 53 4.081 -9.367 -1.159 1.00 0.00 C ATOM 779 CD LYS A 53 5.382 -8.836 -0.554 1.00 0.00 C ATOM 780 CE LYS A 53 6.550 -9.778 -0.852 1.00 0.00 C ATOM 781 NZ LYS A 53 6.225 -11.157 -0.424 1.00 0.00 N ATOM 0 H LYS A 53 2.975 -8.244 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 53 2.368 -7.915 -2.159 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.707 -10.007 -3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.028 -8.865 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.229 -8.891 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.998 -10.437 -0.970 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.597 -7.846 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.267 -8.724 0.524 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.773 -9.765 -1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.445 -9.432 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.105 -11.687 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.673 -11.126 0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.668 -11.628 -1.165 1.00 0.00 H new ATOM 795 N VAL A 54 3.356 -5.713 -2.150 1.00 0.00 N ATOM 796 CA VAL A 54 3.919 -4.374 -2.100 1.00 0.00 C ATOM 797 C VAL A 54 4.922 -4.291 -0.947 1.00 0.00 C ATOM 798 O VAL A 54 4.743 -4.936 0.084 1.00 0.00 O ATOM 799 CB VAL A 54 2.798 -3.339 -1.993 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.360 -1.916 -2.031 1.00 0.00 C ATOM 801 CG2 VAL A 54 1.754 -3.546 -3.091 1.00 0.00 C ATOM 0 H VAL A 54 2.649 -5.906 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 54 4.461 -4.152 -3.019 1.00 0.00 H new ATOM 0 HB VAL A 54 2.304 -3.478 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.542 -1.200 -1.953 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.047 -1.774 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.891 -1.760 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.968 -2.797 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.228 -3.447 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.320 -4.542 -2.997 1.00 0.00 H new ATOM 811 N VAL A 55 5.956 -3.490 -1.162 1.00 0.00 N ATOM 812 CA VAL A 55 6.988 -3.314 -0.154 1.00 0.00 C ATOM 813 C VAL A 55 7.317 -1.825 -0.023 1.00 0.00 C ATOM 814 O VAL A 55 7.860 -1.222 -0.947 1.00 0.00 O ATOM 815 CB VAL A 55 8.209 -4.168 -0.501 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.475 -3.604 0.149 1.00 0.00 C ATOM 817 CG2 VAL A 55 7.990 -5.627 -0.098 1.00 0.00 C ATOM 0 H VAL A 55 6.101 -2.956 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 55 6.635 -3.656 0.819 1.00 0.00 H new ATOM 0 HB VAL A 55 8.344 -4.136 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.328 -4.229 -0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.646 -2.588 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.353 -3.592 1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.873 -6.212 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.817 -5.686 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.124 -6.025 -0.627 1.00 0.00 H new ATOM 827 N GLY A 56 6.975 -1.276 1.133 1.00 0.00 N ATOM 828 CA GLY A 56 7.227 0.130 1.398 1.00 0.00 C ATOM 829 C GLY A 56 8.440 0.307 2.313 1.00 0.00 C ATOM 830 O GLY A 56 9.142 -0.658 2.612 1.00 0.00 O ATOM 0 H GLY A 56 6.525 -1.780 1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.396 0.656 0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.349 0.579 1.862 1.00 0.00 H new ATOM 834 N GLY A 57 8.649 1.546 2.732 1.00 0.00 N ATOM 835 CA GLY A 57 9.765 1.862 3.608 1.00 0.00 C ATOM 836 C GLY A 57 11.100 1.675 2.884 1.00 0.00 C ATOM 837 O GLY A 57 12.160 1.736 3.504 1.00 0.00 O ATOM 0 H GLY A 57 8.065 2.343 2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.678 2.891 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.733 1.222 4.490 1.00 0.00 H new ATOM 841 N LYS A 58 11.004 1.451 1.581 1.00 0.00 N ATOM 842 CA LYS A 58 12.190 1.255 0.766 1.00 0.00 C ATOM 843 C LYS A 58 12.958 2.575 0.664 1.00 0.00 C ATOM 844 O LYS A 58 12.434 3.564 0.154 1.00 0.00 O ATOM 845 CB LYS A 58 11.815 0.656 -0.591 1.00 0.00 C ATOM 846 CG LYS A 58 13.056 0.457 -1.464 1.00 0.00 C ATOM 847 CD LYS A 58 13.154 -0.989 -1.956 1.00 0.00 C ATOM 848 CE LYS A 58 12.440 -1.160 -3.298 1.00 0.00 C ATOM 849 NZ LYS A 58 13.148 -2.152 -4.139 1.00 0.00 N ATOM 0 H LYS A 58 10.123 1.401 1.070 1.00 0.00 H new ATOM 0 HA LYS A 58 12.858 0.532 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.312 -0.300 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.109 1.313 -1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.017 1.134 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.950 0.713 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.202 -1.272 -2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.714 -1.659 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.412 -1.483 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.393 -0.202 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.650 -2.256 -5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.121 -1.828 -4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.171 -3.069 -3.649 1.00 0.00 H new ATOM 863 N MET A 59 14.187 2.547 1.159 1.00 0.00 N ATOM 864 CA MET A 59 15.032 3.729 1.130 1.00 0.00 C ATOM 865 C MET A 59 15.697 3.894 -0.238 1.00 0.00 C ATOM 866 O MET A 59 16.601 3.136 -0.588 1.00 0.00 O ATOM 867 CB MET A 59 16.108 3.613 2.211 1.00 0.00 C ATOM 868 CG MET A 59 16.453 4.987 2.790 1.00 0.00 C ATOM 869 SD MET A 59 15.422 5.329 4.207 1.00 0.00 S ATOM 870 CE MET A 59 14.883 6.983 3.806 1.00 0.00 C ATOM 0 H MET A 59 14.618 1.725 1.582 1.00 0.00 H new ATOM 0 HA MET A 59 14.409 4.604 1.317 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.759 2.956 3.008 1.00 0.00 H new ATOM 0 HB3 MET A 59 17.004 3.156 1.790 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.504 5.016 3.079 1.00 0.00 H new ATOM 0 HG3 MET A 59 16.310 5.757 2.032 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.298 7.386 4.633 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.753 7.617 3.634 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.269 6.957 2.906 1.00 0.00 H new ATOM 880 N THR A 60 15.225 4.889 -0.973 1.00 0.00 N ATOM 881 CA THR A 60 15.762 5.164 -2.295 1.00 0.00 C ATOM 882 C THR A 60 17.140 5.821 -2.184 1.00 0.00 C ATOM 883 O THR A 60 17.682 5.953 -1.088 1.00 0.00 O ATOM 884 CB THR A 60 14.742 6.015 -3.053 1.00 0.00 C ATOM 885 OG1 THR A 60 14.517 7.132 -2.198 1.00 0.00 O ATOM 886 CG2 THR A 60 13.373 5.339 -3.151 1.00 0.00 C ATOM 0 H THR A 60 14.476 5.516 -0.678 1.00 0.00 H new ATOM 0 HA THR A 60 15.919 4.244 -2.857 1.00 0.00 H new ATOM 0 HB THR A 60 15.117 6.223 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.698 6.987 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.687 5.985 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.473 4.389 -3.676 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.983 5.161 -2.149 1.00 0.00 H new ATOM 894 N GLU A 61 17.665 6.216 -3.335 1.00 0.00 N ATOM 895 CA GLU A 61 18.969 6.857 -3.381 1.00 0.00 C ATOM 896 C GLU A 61 18.845 8.339 -3.021 1.00 0.00 C ATOM 897 O GLU A 61 19.843 9.056 -2.977 1.00 0.00 O ATOM 898 CB GLU A 61 19.619 6.679 -4.754 1.00 0.00 C ATOM 899 CG GLU A 61 18.626 6.990 -5.876 1.00 0.00 C ATOM 900 CD GLU A 61 19.326 7.663 -7.058 1.00 0.00 C ATOM 901 OE1 GLU A 61 20.237 8.476 -6.790 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.935 7.349 -8.203 1.00 0.00 O ATOM 0 H GLU A 61 17.212 6.105 -4.242 1.00 0.00 H new ATOM 0 HA GLU A 61 19.614 6.377 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.485 7.335 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.982 5.657 -4.858 1.00 0.00 H new ATOM 0 HG2 GLU A 61 18.148 6.069 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.837 7.640 -5.498 1.00 0.00 H new ATOM 909 N SER A 62 17.611 8.754 -2.773 1.00 0.00 N ATOM 910 CA SER A 62 17.344 10.137 -2.418 1.00 0.00 C ATOM 911 C SER A 62 16.867 10.223 -0.967 1.00 0.00 C ATOM 912 O SER A 62 16.396 11.270 -0.525 1.00 0.00 O ATOM 913 CB SER A 62 16.306 10.756 -3.356 1.00 0.00 C ATOM 914 OG SER A 62 16.690 12.056 -3.795 1.00 0.00 O ATOM 0 H SER A 62 16.785 8.156 -2.811 1.00 0.00 H new ATOM 0 HA SER A 62 18.271 10.701 -2.523 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.167 10.108 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.345 10.815 -2.845 1.00 0.00 H new ATOM 0 HG SER A 62 16.002 12.416 -4.393 1.00 0.00 H new ATOM 920 N GLY A 63 17.004 9.107 -0.266 1.00 0.00 N ATOM 921 CA GLY A 63 16.593 9.043 1.126 1.00 0.00 C ATOM 922 C GLY A 63 15.068 9.094 1.250 1.00 0.00 C ATOM 923 O GLY A 63 14.538 9.324 2.336 1.00 0.00 O ATOM 0 H GLY A 63 17.394 8.240 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.968 8.125 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.034 9.873 1.678 1.00 0.00 H new ATOM 927 N ARG A 64 14.407 8.877 0.123 1.00 0.00 N ATOM 928 CA ARG A 64 12.955 8.896 0.092 1.00 0.00 C ATOM 929 C ARG A 64 12.402 7.476 0.226 1.00 0.00 C ATOM 930 O ARG A 64 13.067 6.510 -0.146 1.00 0.00 O ATOM 931 CB ARG A 64 12.440 9.515 -1.209 1.00 0.00 C ATOM 932 CG ARG A 64 11.821 10.891 -0.954 1.00 0.00 C ATOM 933 CD ARG A 64 10.336 10.768 -0.605 1.00 0.00 C ATOM 934 NE ARG A 64 9.605 11.966 -1.073 1.00 0.00 N ATOM 935 CZ ARG A 64 9.707 13.177 -0.509 1.00 0.00 C ATOM 936 NH1 ARG A 64 10.511 13.358 0.548 1.00 0.00 N ATOM 937 NH2 ARG A 64 9.006 14.207 -1.001 1.00 0.00 N ATOM 0 H ARG A 64 14.850 8.687 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 64 12.614 9.503 0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.260 9.607 -1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.698 8.856 -1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.350 11.386 -0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.940 11.517 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.918 9.874 -1.067 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.215 10.656 0.473 1.00 0.00 H new ATOM 0 HE ARG A 64 8.984 11.864 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.045 12.574 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.589 14.280 0.978 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.394 14.070 -1.805 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.084 15.129 -0.571 1.00 0.00 H new ATOM 951 N LEU A 65 11.192 7.394 0.758 1.00 0.00 N ATOM 952 CA LEU A 65 10.543 6.107 0.946 1.00 0.00 C ATOM 953 C LEU A 65 9.346 6.001 -0.002 1.00 0.00 C ATOM 954 O LEU A 65 8.641 6.983 -0.229 1.00 0.00 O ATOM 955 CB LEU A 65 10.181 5.899 2.418 1.00 0.00 C ATOM 956 CG LEU A 65 11.328 6.057 3.419 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.795 6.195 4.846 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.330 4.907 3.290 1.00 0.00 C ATOM 0 H LEU A 65 10.644 8.197 1.065 1.00 0.00 H new ATOM 0 HA LEU A 65 11.225 5.296 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.395 6.606 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.762 4.899 2.531 1.00 0.00 H new ATOM 0 HG LEU A 65 11.862 6.978 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.630 6.306 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.152 7.072 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.223 5.305 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.135 5.043 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.825 3.961 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.745 4.897 2.282 1.00 0.00 H new ATOM 970 N CYS A 66 9.154 4.801 -0.529 1.00 0.00 N ATOM 971 CA CYS A 66 8.055 4.555 -1.447 1.00 0.00 C ATOM 972 C CYS A 66 7.812 3.045 -1.511 1.00 0.00 C ATOM 973 O CYS A 66 8.657 2.259 -1.087 1.00 0.00 O ATOM 974 CB CYS A 66 8.329 5.148 -2.830 1.00 0.00 C ATOM 975 SG CYS A 66 6.763 5.709 -3.592 1.00 0.00 S ATOM 0 H CYS A 66 9.741 3.989 -0.338 1.00 0.00 H new ATOM 0 HA CYS A 66 7.156 5.052 -1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 66 9.022 5.985 -2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.806 4.403 -3.466 1.00 0.00 H new ATOM 0 HG CYS A 66 7.024 6.399 -4.662 1.00 0.00 H new ATOM 981 N ALA A 67 6.653 2.687 -2.043 1.00 0.00 N ATOM 982 CA ALA A 67 6.288 1.286 -2.168 1.00 0.00 C ATOM 983 C ALA A 67 6.335 0.881 -3.643 1.00 0.00 C ATOM 984 O ALA A 67 5.816 1.591 -4.502 1.00 0.00 O ATOM 985 CB ALA A 67 4.909 1.060 -1.545 1.00 0.00 C ATOM 0 H ALA A 67 5.954 3.343 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 67 6.996 0.655 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.635 0.009 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.937 1.335 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.171 1.675 -2.061 1.00 0.00 H new ATOM 991 N PHE A 68 6.961 -0.260 -3.890 1.00 0.00 N ATOM 992 CA PHE A 68 7.083 -0.769 -5.246 1.00 0.00 C ATOM 993 C PHE A 68 6.643 -2.232 -5.324 1.00 0.00 C ATOM 994 O PHE A 68 6.880 -3.006 -4.398 1.00 0.00 O ATOM 995 CB PHE A 68 8.561 -0.672 -5.629 1.00 0.00 C ATOM 996 CG PHE A 68 9.187 0.697 -5.353 1.00 0.00 C ATOM 997 CD1 PHE A 68 8.934 1.741 -6.187 1.00 0.00 C ATOM 998 CD2 PHE A 68 9.997 0.869 -4.274 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.515 3.011 -5.930 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.578 2.139 -4.018 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.325 3.183 -4.851 1.00 0.00 C ATOM 0 H PHE A 68 7.389 -0.847 -3.174 1.00 0.00 H new ATOM 0 HA PHE A 68 6.450 -0.191 -5.919 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.118 -1.432 -5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.667 -0.901 -6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.292 1.604 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.198 0.040 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.314 3.841 -6.592 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.221 2.276 -3.161 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.767 4.149 -4.656 1.00 0.00 H new ATOM 1011 N ILE A 69 6.009 -2.567 -6.438 1.00 0.00 N ATOM 1012 CA ILE A 69 5.533 -3.924 -6.649 1.00 0.00 C ATOM 1013 C ILE A 69 6.729 -4.877 -6.700 1.00 0.00 C ATOM 1014 O ILE A 69 7.674 -4.653 -7.455 1.00 0.00 O ATOM 1015 CB ILE A 69 4.640 -3.991 -7.890 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.484 -2.994 -7.788 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.146 -5.419 -8.132 1.00 0.00 C ATOM 1018 CD1 ILE A 69 2.614 -3.034 -9.046 1.00 0.00 C ATOM 0 H ILE A 69 5.814 -1.922 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 69 4.907 -4.242 -5.816 1.00 0.00 H new ATOM 0 HB ILE A 69 5.236 -3.705 -8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.876 -3.225 -6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.878 -1.988 -7.646 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.514 -5.440 -9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.000 -6.079 -8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.572 -5.756 -7.269 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.800 -2.316 -8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.220 -2.779 -9.916 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.202 -4.035 -9.172 1.00 0.00 H new ATOM 1030 N THR A 70 6.649 -5.919 -5.887 1.00 0.00 N ATOM 1031 CA THR A 70 7.713 -6.907 -5.829 1.00 0.00 C ATOM 1032 C THR A 70 7.337 -8.144 -6.647 1.00 0.00 C ATOM 1033 O THR A 70 8.140 -8.638 -7.438 1.00 0.00 O ATOM 1034 CB THR A 70 7.994 -7.215 -4.357 1.00 0.00 C ATOM 1035 OG1 THR A 70 6.791 -7.822 -3.894 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.124 -5.948 -3.509 1.00 0.00 C ATOM 0 H THR A 70 5.863 -6.101 -5.262 1.00 0.00 H new ATOM 0 HA THR A 70 8.631 -6.526 -6.277 1.00 0.00 H new ATOM 0 HB THR A 70 8.910 -7.801 -4.276 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.164 -7.127 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.323 -6.222 -2.473 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.945 -5.340 -3.887 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.196 -5.378 -3.562 1.00 0.00 H new ATOM 1044 N LYS A 71 6.116 -8.610 -6.430 1.00 0.00 N ATOM 1045 CA LYS A 71 5.624 -9.779 -7.137 1.00 0.00 C ATOM 1046 C LYS A 71 4.110 -9.658 -7.323 1.00 0.00 C ATOM 1047 O LYS A 71 3.417 -9.118 -6.462 1.00 0.00 O ATOM 1048 CB LYS A 71 6.055 -11.060 -6.419 1.00 0.00 C ATOM 1049 CG LYS A 71 5.621 -12.300 -7.203 1.00 0.00 C ATOM 1050 CD LYS A 71 6.822 -13.190 -7.531 1.00 0.00 C ATOM 1051 CE LYS A 71 7.307 -12.950 -8.962 1.00 0.00 C ATOM 1052 NZ LYS A 71 7.672 -14.232 -9.607 1.00 0.00 N ATOM 0 H LYS A 71 5.453 -8.198 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 71 6.064 -9.835 -8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.138 -11.065 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.619 -11.086 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.893 -12.866 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.126 -11.997 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.632 -12.987 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.548 -14.238 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.526 -12.455 -9.539 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.168 -12.282 -8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.999 -14.052 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.433 -14.689 -9.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.841 -14.857 -9.632 1.00 0.00 H new ATOM 1066 N VAL A 72 3.642 -10.170 -8.451 1.00 0.00 N ATOM 1067 CA VAL A 72 2.223 -10.126 -8.761 1.00 0.00 C ATOM 1068 C VAL A 72 1.795 -11.464 -9.368 1.00 0.00 C ATOM 1069 O VAL A 72 2.188 -11.796 -10.485 1.00 0.00 O ATOM 1070 CB VAL A 72 1.922 -8.934 -9.672 1.00 0.00 C ATOM 1071 CG1 VAL A 72 3.133 -8.591 -10.543 1.00 0.00 C ATOM 1072 CG2 VAL A 72 0.685 -9.198 -10.531 1.00 0.00 C ATOM 0 H VAL A 72 4.220 -10.618 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 72 1.639 -9.979 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 72 1.710 -8.073 -9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.893 -7.741 -11.181 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.980 -8.338 -9.905 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.390 -9.449 -11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.494 -8.335 -11.169 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.854 -10.078 -11.152 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.176 -9.370 -9.885 1.00 0.00 H new ATOM 1082 N LYS A 73 0.997 -12.196 -8.604 1.00 0.00 N ATOM 1083 CA LYS A 73 0.513 -13.490 -9.052 1.00 0.00 C ATOM 1084 C LYS A 73 -0.172 -13.331 -10.411 1.00 0.00 C ATOM 1085 O LYS A 73 -0.733 -12.277 -10.708 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.379 -14.127 -7.985 1.00 0.00 C ATOM 1087 CG LYS A 73 -0.736 -15.568 -8.357 1.00 0.00 C ATOM 1088 CD LYS A 73 0.503 -16.465 -8.327 1.00 0.00 C ATOM 1089 CE LYS A 73 0.131 -17.923 -8.603 1.00 0.00 C ATOM 1090 NZ LYS A 73 0.443 -18.769 -7.429 1.00 0.00 N ATOM 0 H LYS A 73 0.674 -11.917 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 73 1.345 -14.180 -9.193 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.132 -14.112 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.291 -13.541 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.484 -15.952 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.182 -15.591 -9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.222 -16.122 -9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.989 -16.388 -7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.931 -17.995 -8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.676 -18.285 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.184 -19.755 -7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.461 -18.714 -7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.097 -18.433 -6.606 1.00 0.00 H new ATOM 1104 N LYS A 74 -0.104 -14.393 -11.201 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.710 -14.384 -12.521 1.00 0.00 C ATOM 1106 C LYS A 74 -2.120 -14.972 -12.434 1.00 0.00 C ATOM 1107 O LYS A 74 -2.284 -16.188 -12.347 1.00 0.00 O ATOM 1108 CB LYS A 74 0.193 -15.097 -13.530 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.248 -14.802 -14.965 1.00 0.00 C ATOM 1110 CD LYS A 74 0.807 -13.976 -15.704 1.00 0.00 C ATOM 1111 CE LYS A 74 1.033 -14.515 -17.118 1.00 0.00 C ATOM 1112 NZ LYS A 74 -0.049 -14.067 -18.023 1.00 0.00 N ATOM 0 H LYS A 74 0.362 -15.265 -10.952 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.812 -13.362 -12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.225 -14.776 -13.390 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.166 -16.172 -13.351 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.420 -15.738 -15.496 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.195 -14.263 -14.955 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.489 -12.935 -15.754 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.745 -13.997 -15.149 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.996 -14.171 -17.495 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.070 -15.604 -17.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.120 -14.442 -18.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.963 -14.416 -17.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.065 -13.028 -18.057 1.00 0.00 H new ATOM 1126 N GLY A 75 -3.100 -14.082 -12.461 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.491 -14.498 -12.386 1.00 0.00 C ATOM 1128 C GLY A 75 -5.155 -13.965 -11.115 1.00 0.00 C ATOM 1129 O GLY A 75 -6.041 -14.610 -10.556 1.00 0.00 O ATOM 0 H GLY A 75 -2.959 -13.074 -12.534 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.030 -14.136 -13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.550 -15.586 -12.403 1.00 0.00 H new ATOM 1133 N SER A 76 -4.700 -12.794 -10.695 1.00 0.00 N ATOM 1134 CA SER A 76 -5.239 -12.167 -9.499 1.00 0.00 C ATOM 1135 C SER A 76 -5.716 -10.749 -9.821 1.00 0.00 C ATOM 1136 O SER A 76 -5.346 -10.185 -10.850 1.00 0.00 O ATOM 1137 CB SER A 76 -4.200 -12.136 -8.377 1.00 0.00 C ATOM 1138 OG SER A 76 -3.175 -11.177 -8.625 1.00 0.00 O ATOM 0 H SER A 76 -3.964 -12.263 -11.161 1.00 0.00 H new ATOM 0 HA SER A 76 -6.087 -12.759 -9.155 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.693 -11.904 -7.433 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.753 -13.124 -8.269 1.00 0.00 H new ATOM 0 HG SER A 76 -2.507 -11.562 -9.230 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.528 -10.214 -8.922 1.00 0.00 N ATOM 1145 CA LEU A 77 -7.059 -8.872 -9.097 1.00 0.00 C ATOM 1146 C LEU A 77 -5.959 -7.962 -9.647 1.00 0.00 C ATOM 1147 O LEU A 77 -6.115 -7.369 -10.714 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.680 -8.367 -7.794 1.00 0.00 C ATOM 1149 CG LEU A 77 -9.085 -8.884 -7.477 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -10.027 -8.678 -8.665 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -9.043 -10.346 -7.026 1.00 0.00 C ATOM 0 H LEU A 77 -6.832 -10.685 -8.070 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.868 -8.874 -9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.020 -8.639 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.714 -7.278 -7.829 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.483 -8.302 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.018 -9.054 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.091 -7.615 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.644 -9.218 -9.531 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.054 -10.688 -6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.616 -10.959 -7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.429 -10.433 -6.130 1.00 0.00 H new ATOM 1163 N ALA A 78 -4.872 -7.879 -8.895 1.00 0.00 N ATOM 1164 CA ALA A 78 -3.747 -7.051 -9.294 1.00 0.00 C ATOM 1165 C ALA A 78 -2.980 -7.747 -10.420 1.00 0.00 C ATOM 1166 O ALA A 78 -1.786 -8.012 -10.291 1.00 0.00 O ATOM 1167 CB ALA A 78 -2.864 -6.767 -8.076 1.00 0.00 C ATOM 0 H ALA A 78 -4.746 -8.372 -8.011 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.094 -6.091 -9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.020 -6.146 -8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.447 -6.245 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.495 -7.708 -7.667 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.698 -8.024 -11.498 1.00 0.00 N ATOM 1174 CA ASP A 79 -3.101 -8.684 -12.646 1.00 0.00 C ATOM 1175 C ASP A 79 -4.174 -8.918 -13.711 1.00 0.00 C ATOM 1176 O ASP A 79 -4.011 -8.515 -14.861 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.517 -10.044 -12.257 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.339 -10.511 -13.115 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -0.287 -9.841 -13.048 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -1.519 -11.529 -13.819 1.00 0.00 O ATOM 0 H ASP A 79 -4.689 -7.803 -11.601 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.305 -8.044 -13.026 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.194 -10.000 -11.217 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.308 -10.792 -12.314 1.00 0.00 H new ATOM 1185 N THR A 80 -5.249 -9.569 -13.289 1.00 0.00 N ATOM 1186 CA THR A 80 -6.349 -9.861 -14.192 1.00 0.00 C ATOM 1187 C THR A 80 -7.112 -8.580 -14.535 1.00 0.00 C ATOM 1188 O THR A 80 -7.594 -8.421 -15.655 1.00 0.00 O ATOM 1189 CB THR A 80 -7.224 -10.934 -13.540 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.582 -10.371 -12.281 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.433 -12.192 -13.175 1.00 0.00 C ATOM 0 H THR A 80 -5.381 -9.902 -12.334 1.00 0.00 H new ATOM 0 HA THR A 80 -5.987 -10.251 -15.143 1.00 0.00 H new ATOM 0 HB THR A 80 -8.037 -11.200 -14.216 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.152 -11.000 -11.791 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.101 -12.921 -12.716 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.993 -12.620 -14.076 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.641 -11.933 -12.473 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.199 -7.699 -13.549 1.00 0.00 N ATOM 1200 CA VAL A 81 -7.896 -6.438 -13.732 1.00 0.00 C ATOM 1201 C VAL A 81 -6.898 -5.285 -13.599 1.00 0.00 C ATOM 1202 O VAL A 81 -6.978 -4.302 -14.334 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.062 -6.336 -12.746 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.196 -7.285 -13.138 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.594 -6.603 -11.314 1.00 0.00 C ATOM 0 H VAL A 81 -6.798 -7.834 -12.621 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.327 -6.382 -14.731 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.448 -5.317 -12.788 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.012 -7.193 -12.421 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.557 -7.028 -14.134 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.828 -8.311 -13.139 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.442 -6.524 -10.633 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.170 -7.605 -11.251 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.837 -5.870 -11.036 1.00 0.00 H new ATOM 1215 N GLY A 82 -5.981 -5.444 -12.656 1.00 0.00 N ATOM 1216 CA GLY A 82 -4.969 -4.430 -12.417 1.00 0.00 C ATOM 1217 C GLY A 82 -3.828 -4.545 -13.429 1.00 0.00 C ATOM 1218 O GLY A 82 -3.222 -3.542 -13.804 1.00 0.00 O ATOM 0 H GLY A 82 -5.918 -6.261 -12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.419 -3.439 -12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.575 -4.535 -11.406 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.569 -5.776 -13.844 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.511 -6.035 -14.806 1.00 0.00 C ATOM 1224 C HIS A 83 -1.234 -5.313 -14.371 1.00 0.00 C ATOM 1225 O HIS A 83 -0.509 -4.772 -15.204 1.00 0.00 O ATOM 1226 CB HIS A 83 -2.956 -5.653 -16.219 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.180 -6.396 -16.699 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -4.126 -7.686 -17.199 1.00 0.00 N ATOM 1229 CD2 HIS A 83 -5.490 -6.018 -16.749 1.00 0.00 C ATOM 1230 CE1 HIS A 83 -5.353 -8.056 -17.533 1.00 0.00 C ATOM 1231 NE2 HIS A 83 -6.197 -7.022 -17.254 1.00 0.00 N ATOM 0 H HIS A 83 -4.074 -6.606 -13.532 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.292 -7.102 -14.833 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -3.159 -4.582 -16.248 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.135 -5.841 -16.911 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.885 -5.064 -16.432 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.636 -9.010 -17.953 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.205 -7.020 -17.408 1.00 0.00 H new ATOM 1239 N LEU A 84 -0.998 -5.329 -13.067 1.00 0.00 N ATOM 1240 CA LEU A 84 0.178 -4.682 -12.512 1.00 0.00 C ATOM 1241 C LEU A 84 1.425 -5.479 -12.903 1.00 0.00 C ATOM 1242 O LEU A 84 1.342 -6.420 -13.690 1.00 0.00 O ATOM 1243 CB LEU A 84 0.021 -4.488 -11.003 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.087 -3.530 -10.561 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -1.727 -3.997 -9.253 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.564 -2.095 -10.463 1.00 0.00 C ATOM 0 H LEU A 84 -1.601 -5.780 -12.379 1.00 0.00 H new ATOM 0 HA LEU A 84 0.294 -3.681 -12.928 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.165 -5.461 -10.549 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.968 -4.126 -10.603 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.868 -3.537 -11.321 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.511 -3.298 -8.962 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.158 -4.988 -9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.969 -4.038 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.371 -1.434 -10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.246 -2.052 -9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.194 -1.775 -11.437 1.00 0.00 H new ATOM 1258 N ARG A 85 2.550 -5.072 -12.335 1.00 0.00 N ATOM 1259 CA ARG A 85 3.812 -5.736 -12.614 1.00 0.00 C ATOM 1260 C ARG A 85 4.812 -5.473 -11.486 1.00 0.00 C ATOM 1261 O ARG A 85 4.767 -4.424 -10.845 1.00 0.00 O ATOM 1262 CB ARG A 85 4.409 -5.251 -13.937 1.00 0.00 C ATOM 1263 CG ARG A 85 3.732 -5.935 -15.127 1.00 0.00 C ATOM 1264 CD ARG A 85 3.785 -7.458 -14.986 1.00 0.00 C ATOM 1265 NE ARG A 85 3.628 -8.094 -16.313 1.00 0.00 N ATOM 1266 CZ ARG A 85 2.455 -8.237 -16.944 1.00 0.00 C ATOM 1267 NH1 ARG A 85 1.328 -7.789 -16.373 1.00 0.00 N ATOM 1268 NH2 ARG A 85 2.408 -8.827 -18.146 1.00 0.00 N ATOM 0 H ARG A 85 2.614 -4.291 -11.683 1.00 0.00 H new ATOM 0 HA ARG A 85 3.614 -6.805 -12.687 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.291 -4.170 -14.019 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.479 -5.457 -13.955 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.694 -5.608 -15.197 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.224 -5.634 -16.052 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.733 -7.758 -14.540 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.996 -7.797 -14.315 1.00 0.00 H new ATOM 0 HE ARG A 85 4.466 -8.446 -16.776 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.364 -7.339 -15.458 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.435 -7.898 -16.853 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.266 -9.167 -18.581 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.515 -8.936 -18.626 1.00 0.00 H new ATOM 1282 N PRO A 86 5.712 -6.469 -11.272 1.00 0.00 N ATOM 1283 CA PRO A 86 6.721 -6.356 -10.232 1.00 0.00 C ATOM 1284 C PRO A 86 7.834 -5.392 -10.650 1.00 0.00 C ATOM 1285 O PRO A 86 8.783 -5.789 -11.325 1.00 0.00 O ATOM 1286 CB PRO A 86 7.217 -7.775 -10.009 1.00 0.00 C ATOM 1287 CG PRO A 86 6.809 -8.559 -11.246 1.00 0.00 C ATOM 1288 CD PRO A 86 5.795 -7.725 -12.012 1.00 0.00 C ATOM 0 HA PRO A 86 6.326 -5.936 -9.307 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.298 -7.794 -9.874 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.776 -8.206 -9.110 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.679 -8.770 -11.869 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.378 -9.520 -10.964 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.116 -7.558 -13.040 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.826 -8.223 -12.057 1.00 0.00 H new ATOM 1296 N GLY A 87 7.680 -4.144 -10.232 1.00 0.00 N ATOM 1297 CA GLY A 87 8.660 -3.121 -10.555 1.00 0.00 C ATOM 1298 C GLY A 87 8.018 -1.732 -10.566 1.00 0.00 C ATOM 1299 O GLY A 87 8.711 -0.723 -10.440 1.00 0.00 O ATOM 0 H GLY A 87 6.892 -3.818 -9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.470 -3.145 -9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.101 -3.330 -11.530 1.00 0.00 H new ATOM 1303 N ASP A 88 6.702 -1.724 -10.718 1.00 0.00 N ATOM 1304 CA ASP A 88 5.959 -0.475 -10.748 1.00 0.00 C ATOM 1305 C ASP A 88 6.164 0.266 -9.425 1.00 0.00 C ATOM 1306 O ASP A 88 6.909 -0.193 -8.561 1.00 0.00 O ATOM 1307 CB ASP A 88 4.461 -0.730 -10.920 1.00 0.00 C ATOM 1308 CG ASP A 88 3.896 -0.362 -12.293 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.668 0.216 -13.088 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.705 -0.667 -12.517 1.00 0.00 O ATOM 0 H ASP A 88 6.131 -2.563 -10.822 1.00 0.00 H new ATOM 0 HA ASP A 88 6.323 0.115 -11.589 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.264 -1.786 -10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.922 -0.166 -10.159 1.00 0.00 H new ATOM 1315 N GLU A 89 5.490 1.401 -9.309 1.00 0.00 N ATOM 1316 CA GLU A 89 5.589 2.210 -8.107 1.00 0.00 C ATOM 1317 C GLU A 89 4.206 2.716 -7.692 1.00 0.00 C ATOM 1318 O GLU A 89 3.688 3.666 -8.278 1.00 0.00 O ATOM 1319 CB GLU A 89 6.561 3.374 -8.307 1.00 0.00 C ATOM 1320 CG GLU A 89 6.696 4.203 -7.029 1.00 0.00 C ATOM 1321 CD GLU A 89 7.341 5.560 -7.320 1.00 0.00 C ATOM 1322 OE1 GLU A 89 6.796 6.272 -8.190 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.365 5.853 -6.666 1.00 0.00 O ATOM 0 H GLU A 89 4.873 1.779 -10.028 1.00 0.00 H new ATOM 0 HA GLU A 89 5.982 1.586 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.538 2.990 -8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.211 4.009 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.713 4.352 -6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.298 3.659 -6.301 1.00 0.00 H new ATOM 1330 N VAL A 90 3.647 2.060 -6.686 1.00 0.00 N ATOM 1331 CA VAL A 90 2.334 2.431 -6.187 1.00 0.00 C ATOM 1332 C VAL A 90 2.442 3.744 -5.409 1.00 0.00 C ATOM 1333 O VAL A 90 2.878 3.753 -4.258 1.00 0.00 O ATOM 1334 CB VAL A 90 1.748 1.289 -5.355 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.754 0.799 -4.312 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.434 1.710 -4.694 1.00 0.00 C ATOM 0 H VAL A 90 4.080 1.273 -6.203 1.00 0.00 H new ATOM 0 HA VAL A 90 1.644 2.599 -7.014 1.00 0.00 H new ATOM 0 HB VAL A 90 1.533 0.460 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.313 -0.013 -3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.653 0.440 -4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.015 1.620 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.039 0.880 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.613 2.563 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.287 1.988 -5.463 1.00 0.00 H new ATOM 1346 N LEU A 91 2.038 4.820 -6.067 1.00 0.00 N ATOM 1347 CA LEU A 91 2.084 6.135 -5.451 1.00 0.00 C ATOM 1348 C LEU A 91 1.082 6.188 -4.295 1.00 0.00 C ATOM 1349 O LEU A 91 1.452 6.490 -3.162 1.00 0.00 O ATOM 1350 CB LEU A 91 1.868 7.227 -6.501 1.00 0.00 C ATOM 1351 CG LEU A 91 3.012 7.436 -7.496 1.00 0.00 C ATOM 1352 CD1 LEU A 91 2.615 8.433 -8.586 1.00 0.00 C ATOM 1353 CD2 LEU A 91 4.295 7.856 -6.775 1.00 0.00 C ATOM 0 H LEU A 91 1.677 4.808 -7.021 1.00 0.00 H new ATOM 0 HA LEU A 91 3.071 6.322 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.964 6.991 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.685 8.169 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 91 3.215 6.485 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.446 8.563 -9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.747 8.055 -9.126 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.369 9.392 -8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.092 7.998 -7.504 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.122 8.790 -6.240 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.585 7.080 -6.067 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.166 5.888 -4.622 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.224 5.898 -3.626 1.00 0.00 C ATOM 1367 C GLU A 92 -1.873 4.516 -3.528 1.00 0.00 C ATOM 1368 O GLU A 92 -1.681 3.673 -4.403 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.266 6.972 -3.942 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.634 8.366 -3.940 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.281 9.262 -4.998 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -3.529 9.240 -5.075 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -1.514 9.949 -5.706 1.00 0.00 O ATOM 0 H GLU A 92 -0.469 5.636 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.783 6.141 -2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.715 6.773 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.070 6.932 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.748 8.819 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.564 8.285 -4.132 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.629 4.326 -2.456 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.308 3.061 -2.233 1.00 0.00 C ATOM 1382 C TRP A 93 -4.660 3.359 -1.584 1.00 0.00 C ATOM 1383 O TRP A 93 -4.728 3.663 -0.394 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.441 2.113 -1.403 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.140 0.808 -1.016 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.151 0.638 -0.152 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -2.839 -0.511 -1.518 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.521 -0.688 -0.061 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.698 -1.409 -0.918 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -1.872 -0.931 -2.449 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.676 -2.784 -1.182 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -1.863 -2.308 -2.702 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.721 -3.225 -2.106 1.00 0.00 C ATOM 0 H TRP A 93 -2.786 5.027 -1.732 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.482 2.544 -3.177 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.538 1.876 -1.966 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.125 2.627 -0.495 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.617 1.439 0.403 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.262 -1.069 0.527 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.190 -0.246 -2.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.359 -3.467 -0.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -1.139 -2.684 -3.410 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.651 -4.274 -2.355 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.704 3.261 -2.393 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.051 3.516 -1.912 1.00 0.00 C ATOM 1406 C ASN A 94 -7.155 4.969 -1.444 1.00 0.00 C ATOM 1407 O ASN A 94 -8.095 5.332 -0.739 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.393 2.611 -0.726 1.00 0.00 C ATOM 1409 CG ASN A 94 -7.561 1.159 -1.175 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -7.079 0.743 -2.216 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -8.272 0.412 -0.335 1.00 0.00 N ATOM 0 H ASN A 94 -5.644 3.008 -3.379 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.744 3.317 -2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.604 2.675 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.312 2.958 -0.253 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.442 -0.571 -0.546 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.647 0.823 0.520 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.175 5.760 -1.855 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.144 7.166 -1.487 1.00 0.00 C ATOM 1420 C GLY A 95 -5.042 7.439 -0.461 1.00 0.00 C ATOM 1421 O GLY A 95 -4.793 8.590 -0.105 1.00 0.00 O ATOM 0 H GLY A 95 -5.397 5.455 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.978 7.775 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.110 7.460 -1.076 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.413 6.362 -0.015 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.344 6.472 0.963 1.00 0.00 C ATOM 1427 C ARG A 96 -1.989 6.576 0.259 1.00 0.00 C ATOM 1428 O ARG A 96 -1.544 5.626 -0.382 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.331 5.264 1.902 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.311 5.460 3.061 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.597 6.021 4.293 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.577 6.276 5.373 1.00 0.00 N ATOM 1433 CZ ARG A 96 -5.341 7.374 5.450 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -5.242 8.326 4.512 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -6.202 7.521 6.466 1.00 0.00 N ATOM 0 H ARG A 96 -4.623 5.409 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.523 7.373 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.595 4.364 1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.325 5.114 2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.108 6.139 2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.780 4.508 3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.839 5.317 4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.079 6.945 4.035 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.677 5.572 6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.585 8.215 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.824 9.162 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.276 6.797 7.181 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.784 8.357 6.525 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.372 7.740 0.404 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.077 7.981 -0.210 1.00 0.00 C ATOM 1451 C LEU A 97 0.976 7.104 0.470 1.00 0.00 C ATOM 1452 O LEU A 97 1.060 7.066 1.696 1.00 0.00 O ATOM 1453 CB LEU A 97 0.257 9.473 -0.187 1.00 0.00 C ATOM 1454 CG LEU A 97 1.593 9.872 -0.817 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.377 10.635 -2.125 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.452 10.662 0.172 1.00 0.00 C ATOM 0 H LEU A 97 -1.745 8.526 0.937 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.096 7.699 -1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.539 10.011 -0.701 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.252 9.810 0.850 1.00 0.00 H new ATOM 0 HG LEU A 97 2.140 8.961 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.343 10.907 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.834 10.004 -2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.800 11.539 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.396 10.933 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.923 11.567 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.650 10.050 1.052 1.00 0.00 H new ATOM 1468 N LEU A 98 1.754 6.420 -0.357 1.00 0.00 N ATOM 1469 CA LEU A 98 2.798 5.546 0.149 1.00 0.00 C ATOM 1470 C LEU A 98 4.134 6.292 0.133 1.00 0.00 C ATOM 1471 O LEU A 98 5.059 5.933 0.860 1.00 0.00 O ATOM 1472 CB LEU A 98 2.820 4.230 -0.630 1.00 0.00 C ATOM 1473 CG LEU A 98 1.463 3.556 -0.846 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.623 2.223 -1.580 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.714 3.395 0.478 1.00 0.00 C ATOM 0 H LEU A 98 1.682 6.454 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 98 2.597 5.273 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.271 4.415 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.471 3.531 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 98 0.858 4.203 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.644 1.765 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.086 2.396 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.254 1.557 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.247 2.914 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.305 2.781 1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.550 4.376 0.925 1.00 0.00 H new ATOM 1487 N GLN A 99 4.193 7.317 -0.705 1.00 0.00 N ATOM 1488 CA GLN A 99 5.400 8.117 -0.825 1.00 0.00 C ATOM 1489 C GLN A 99 5.779 8.713 0.532 1.00 0.00 C ATOM 1490 O GLN A 99 5.054 9.548 1.071 1.00 0.00 O ATOM 1491 CB GLN A 99 5.228 9.213 -1.878 1.00 0.00 C ATOM 1492 CG GLN A 99 5.679 8.726 -3.256 1.00 0.00 C ATOM 1493 CD GLN A 99 5.615 9.856 -4.286 1.00 0.00 C ATOM 1494 OE1 GLN A 99 4.749 10.715 -4.250 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.578 9.808 -5.202 1.00 0.00 N ATOM 0 H GLN A 99 3.424 7.612 -1.307 1.00 0.00 H new ATOM 0 HA GLN A 99 6.212 7.468 -1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.183 9.520 -1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.807 10.091 -1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.697 8.343 -3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 99 5.046 7.899 -3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.272 9.061 -5.174 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.623 10.518 -5.933 1.00 0.00 H new ATOM 1504 N GLY A 100 6.914 8.262 1.044 1.00 0.00 N ATOM 1505 CA GLY A 100 7.399 8.741 2.328 1.00 0.00 C ATOM 1506 C GLY A 100 6.988 7.794 3.457 1.00 0.00 C ATOM 1507 O GLY A 100 7.657 7.723 4.487 1.00 0.00 O ATOM 0 H GLY A 100 7.512 7.570 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.485 8.830 2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.002 9.738 2.522 1.00 0.00 H new ATOM 1511 N ALA A 101 5.890 7.090 3.225 1.00 0.00 N ATOM 1512 CA ALA A 101 5.382 6.150 4.210 1.00 0.00 C ATOM 1513 C ALA A 101 6.430 5.064 4.461 1.00 0.00 C ATOM 1514 O ALA A 101 7.131 4.649 3.539 1.00 0.00 O ATOM 1515 CB ALA A 101 4.049 5.574 3.727 1.00 0.00 C ATOM 0 H ALA A 101 5.338 7.152 2.370 1.00 0.00 H new ATOM 0 HA ALA A 101 5.195 6.653 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.668 4.869 4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.330 6.383 3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.198 5.060 2.778 1.00 0.00 H new ATOM 1521 N THR A 102 6.504 4.635 5.712 1.00 0.00 N ATOM 1522 CA THR A 102 7.455 3.606 6.095 1.00 0.00 C ATOM 1523 C THR A 102 6.924 2.222 5.716 1.00 0.00 C ATOM 1524 O THR A 102 5.766 2.082 5.326 1.00 0.00 O ATOM 1525 CB THR A 102 7.739 3.758 7.591 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.617 3.147 8.222 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.679 5.215 8.053 1.00 0.00 C ATOM 0 H THR A 102 5.921 4.981 6.474 1.00 0.00 H new ATOM 0 HA THR A 102 8.396 3.718 5.557 1.00 0.00 H new ATOM 0 HB THR A 102 8.722 3.346 7.817 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.720 3.200 9.195 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.888 5.267 9.122 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.421 5.800 7.510 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.685 5.618 7.858 1.00 0.00 H new ATOM 1535 N PHE A 103 7.797 1.233 5.843 1.00 0.00 N ATOM 1536 CA PHE A 103 7.431 -0.135 5.518 1.00 0.00 C ATOM 1537 C PHE A 103 6.124 -0.531 6.206 1.00 0.00 C ATOM 1538 O PHE A 103 5.258 -1.153 5.592 1.00 0.00 O ATOM 1539 CB PHE A 103 8.557 -1.034 6.033 1.00 0.00 C ATOM 1540 CG PHE A 103 8.274 -2.530 5.890 1.00 0.00 C ATOM 1541 CD1 PHE A 103 8.566 -3.169 4.726 1.00 0.00 C ATOM 1542 CD2 PHE A 103 7.730 -3.222 6.927 1.00 0.00 C ATOM 1543 CE1 PHE A 103 8.303 -4.558 4.593 1.00 0.00 C ATOM 1544 CE2 PHE A 103 7.467 -4.611 6.794 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.759 -5.250 5.630 1.00 0.00 C ATOM 0 H PHE A 103 8.757 1.352 6.167 1.00 0.00 H new ATOM 0 HA PHE A 103 7.289 -0.236 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.474 -0.795 5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.737 -0.808 7.084 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.998 -2.620 3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.498 -2.715 7.852 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.535 -5.065 3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.035 -5.160 7.618 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.559 -6.307 5.529 1.00 0.00 H new ATOM 1555 N GLU A 104 6.021 -0.154 7.472 1.00 0.00 N ATOM 1556 CA GLU A 104 4.833 -0.462 8.251 1.00 0.00 C ATOM 1557 C GLU A 104 3.635 0.334 7.728 1.00 0.00 C ATOM 1558 O GLU A 104 2.596 -0.242 7.407 1.00 0.00 O ATOM 1559 CB GLU A 104 5.066 -0.188 9.738 1.00 0.00 C ATOM 1560 CG GLU A 104 6.136 -1.122 10.306 1.00 0.00 C ATOM 1561 CD GLU A 104 6.616 -0.636 11.675 1.00 0.00 C ATOM 1562 OE1 GLU A 104 7.123 0.505 11.727 1.00 0.00 O ATOM 1563 OE2 GLU A 104 6.466 -1.418 12.639 1.00 0.00 O ATOM 0 H GLU A 104 6.741 0.362 7.978 1.00 0.00 H new ATOM 0 HA GLU A 104 4.615 -1.524 8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.372 0.849 9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.134 -0.321 10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.733 -2.131 10.395 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.980 -1.175 9.618 1.00 0.00 H new ATOM 1570 N GLU A 105 3.820 1.644 7.658 1.00 0.00 N ATOM 1571 CA GLU A 105 2.767 2.524 7.180 1.00 0.00 C ATOM 1572 C GLU A 105 2.122 1.944 5.919 1.00 0.00 C ATOM 1573 O GLU A 105 0.911 1.731 5.879 1.00 0.00 O ATOM 1574 CB GLU A 105 3.305 3.932 6.922 1.00 0.00 C ATOM 1575 CG GLU A 105 3.226 4.789 8.187 1.00 0.00 C ATOM 1576 CD GLU A 105 3.417 6.271 7.859 1.00 0.00 C ATOM 1577 OE1 GLU A 105 4.582 6.654 7.616 1.00 0.00 O ATOM 1578 OE2 GLU A 105 2.393 6.989 7.857 1.00 0.00 O ATOM 0 H GLU A 105 4.683 2.117 7.924 1.00 0.00 H new ATOM 0 HA GLU A 105 2.003 2.598 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.339 3.874 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.733 4.403 6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.260 4.642 8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.990 4.469 8.896 1.00 0.00 H new ATOM 1585 N VAL A 106 2.960 1.704 4.922 1.00 0.00 N ATOM 1586 CA VAL A 106 2.487 1.153 3.663 1.00 0.00 C ATOM 1587 C VAL A 106 1.673 -0.113 3.940 1.00 0.00 C ATOM 1588 O VAL A 106 0.590 -0.292 3.384 1.00 0.00 O ATOM 1589 CB VAL A 106 3.669 0.909 2.722 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.220 0.170 1.459 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.368 2.223 2.368 1.00 0.00 C ATOM 0 H VAL A 106 3.964 1.881 4.960 1.00 0.00 H new ATOM 0 HA VAL A 106 1.828 1.860 3.160 1.00 0.00 H new ATOM 0 HB VAL A 106 4.388 0.277 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.079 0.009 0.807 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.788 -0.792 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.473 0.766 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.204 2.021 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.661 2.890 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.738 2.695 3.278 1.00 0.00 H new ATOM 1601 N TYR A 107 2.224 -0.957 4.799 1.00 0.00 N ATOM 1602 CA TYR A 107 1.563 -2.200 5.155 1.00 0.00 C ATOM 1603 C TYR A 107 0.223 -1.931 5.845 1.00 0.00 C ATOM 1604 O TYR A 107 -0.814 -2.427 5.409 1.00 0.00 O ATOM 1605 CB TYR A 107 2.496 -2.907 6.140 1.00 0.00 C ATOM 1606 CG TYR A 107 2.209 -4.401 6.307 1.00 0.00 C ATOM 1607 CD1 TYR A 107 0.986 -4.819 6.792 1.00 0.00 C ATOM 1608 CD2 TYR A 107 3.172 -5.331 5.972 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.716 -6.224 6.949 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.902 -6.736 6.129 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.687 -7.114 6.610 1.00 0.00 C ATOM 1612 OH TYR A 107 1.432 -8.441 6.758 1.00 0.00 O ATOM 0 H TYR A 107 3.121 -0.804 5.259 1.00 0.00 H new ATOM 0 HA TYR A 107 1.364 -2.797 4.265 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.525 -2.781 5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.416 -2.421 7.113 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.232 -4.092 7.054 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.129 -5.004 5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.237 -6.564 7.328 1.00 0.00 H new ATOM 0 HE2 TYR A 107 3.647 -7.474 5.871 1.00 0.00 H new ATOM 0 HH TYR A 107 2.215 -8.958 6.476 1.00 0.00 H new ATOM 1622 N ASN A 108 0.290 -1.144 6.909 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.905 -0.802 7.662 1.00 0.00 C ATOM 1624 C ASN A 108 -2.057 -0.540 6.691 1.00 0.00 C ATOM 1625 O ASN A 108 -3.159 -1.055 6.876 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.688 0.465 8.492 1.00 0.00 C ATOM 1627 CG ASN A 108 -0.249 0.120 9.916 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -1.015 -0.375 10.727 1.00 0.00 O ATOM 1629 ND2 ASN A 108 1.024 0.406 10.175 1.00 0.00 N ATOM 0 H ASN A 108 1.152 -0.734 7.267 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.135 -1.634 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.067 1.090 8.016 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.610 1.046 8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.413 0.212 11.098 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.611 0.820 9.451 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.764 0.261 5.677 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.763 0.597 4.677 1.00 0.00 C ATOM 1638 C ILE A 109 -3.419 -0.687 4.165 1.00 0.00 C ATOM 1639 O ILE A 109 -4.552 -0.997 4.528 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.145 1.455 3.571 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.815 2.858 4.085 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -3.051 1.496 2.338 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.430 3.303 3.611 1.00 0.00 C ATOM 0 H ILE A 109 -0.849 0.687 5.527 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.553 1.205 5.117 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.206 0.994 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.568 3.564 3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.851 2.868 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.589 2.112 1.567 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.193 0.485 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -4.017 1.920 2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.220 4.303 3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.323 2.608 3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.405 3.315 2.521 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.677 -1.399 3.329 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.173 -2.643 2.763 1.00 0.00 C ATOM 1657 C ILE A 110 -3.909 -3.433 3.846 1.00 0.00 C ATOM 1658 O ILE A 110 -4.822 -4.201 3.547 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.034 -3.421 2.100 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.475 -2.657 0.898 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.482 -4.834 1.724 1.00 0.00 C ATOM 1662 CD1 ILE A 110 0.029 -2.421 1.049 1.00 0.00 C ATOM 0 H ILE A 110 -1.737 -1.139 3.030 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.894 -2.441 1.971 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.223 -3.522 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.669 -3.218 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.989 -1.701 0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.654 -5.365 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.794 -5.368 2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.318 -4.777 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.401 -1.876 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.217 -1.839 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.542 -3.380 1.123 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.483 -3.219 5.083 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.090 -3.902 6.212 1.00 0.00 C ATOM 1676 C LEU A 111 -5.508 -3.366 6.425 1.00 0.00 C ATOM 1677 O LEU A 111 -6.467 -4.135 6.457 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.198 -3.789 7.450 1.00 0.00 C ATOM 1679 CG LEU A 111 -2.907 -5.096 8.189 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -2.150 -4.833 9.492 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -4.192 -5.892 8.423 1.00 0.00 C ATOM 0 H LEU A 111 -2.725 -2.582 5.327 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.179 -4.969 6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.249 -3.345 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.667 -3.096 8.149 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.260 -5.707 7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.956 -5.779 9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.204 -4.340 9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -2.750 -4.193 10.139 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.956 -6.817 8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.883 -5.299 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.653 -6.128 7.464 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.594 -2.052 6.565 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.878 -1.404 6.773 1.00 0.00 C ATOM 1695 C GLU A 112 -7.757 -1.555 5.530 1.00 0.00 C ATOM 1696 O GLU A 112 -8.937 -1.208 5.554 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.695 0.070 7.141 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.869 0.218 8.419 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.560 1.153 9.414 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -6.501 2.379 9.176 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -7.132 0.621 10.390 1.00 0.00 O ATOM 0 H GLU A 112 -4.796 -1.418 6.539 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.379 -1.893 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.202 0.594 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.670 0.538 7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.722 -0.760 8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.881 0.608 8.174 1.00 0.00 H new ATOM 1708 N SER A 113 -7.148 -2.072 4.473 1.00 0.00 N ATOM 1709 CA SER A 113 -7.860 -2.273 3.223 1.00 0.00 C ATOM 1710 C SER A 113 -8.337 -3.723 3.119 1.00 0.00 C ATOM 1711 O SER A 113 -8.941 -4.111 2.121 1.00 0.00 O ATOM 1712 CB SER A 113 -6.979 -1.917 2.024 1.00 0.00 C ATOM 1713 OG SER A 113 -6.891 -2.990 1.089 1.00 0.00 O ATOM 0 H SER A 113 -6.169 -2.358 4.457 1.00 0.00 H new ATOM 0 HA SER A 113 -8.726 -1.611 3.213 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.382 -1.035 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.980 -1.657 2.373 1.00 0.00 H new ATOM 0 HG SER A 113 -6.458 -2.674 0.268 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.048 -4.483 4.165 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.440 -5.882 4.205 1.00 0.00 C ATOM 1721 C LYS A 114 -9.961 -5.984 4.075 1.00 0.00 C ATOM 1722 O LYS A 114 -10.468 -6.753 3.258 1.00 0.00 O ATOM 1723 CB LYS A 114 -7.883 -6.559 5.458 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.553 -7.254 5.161 1.00 0.00 C ATOM 1725 CD LYS A 114 -5.979 -7.903 6.422 1.00 0.00 C ATOM 1726 CE LYS A 114 -5.703 -9.391 6.196 1.00 0.00 C ATOM 1727 NZ LYS A 114 -4.524 -9.824 6.979 1.00 0.00 N ATOM 0 H LYS A 114 -7.547 -4.157 4.991 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.010 -6.423 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.742 -5.817 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.602 -7.287 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.699 -8.012 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -5.841 -6.530 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.056 -7.398 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.679 -7.781 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.575 -9.977 6.486 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.532 -9.578 5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.351 -10.836 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.691 -9.277 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.701 -9.663 7.991 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.666 -5.178 4.913 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.119 -5.171 4.900 1.00 0.00 C ATOM 1743 C PRO A 115 -12.652 -4.422 3.677 1.00 0.00 C ATOM 1744 O PRO A 115 -13.698 -4.777 3.135 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.521 -4.523 6.215 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.292 -3.774 6.704 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.100 -4.255 5.893 1.00 0.00 C ATOM 0 HA PRO A 115 -12.544 -6.171 4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.362 -3.844 6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.835 -5.274 6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.427 -2.699 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.130 -3.958 7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.591 -3.423 5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.365 -4.752 6.526 1.00 0.00 H new ATOM 1755 N GLU A 116 -11.909 -3.400 3.278 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.294 -2.599 2.129 1.00 0.00 C ATOM 1757 C GLU A 116 -12.845 -3.495 1.017 1.00 0.00 C ATOM 1758 O GLU A 116 -12.277 -4.545 0.722 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.116 -1.762 1.625 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.083 -0.394 2.311 1.00 0.00 C ATOM 1761 CD GLU A 116 -10.938 0.731 1.283 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.846 0.843 0.432 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -9.921 1.453 1.373 1.00 0.00 O ATOM 0 H GLU A 116 -11.042 -3.108 3.730 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.081 -1.911 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.182 -2.291 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.194 -1.630 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.997 -0.250 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.253 -0.357 3.016 1.00 0.00 H new ATOM 1770 N PRO A 117 -13.974 -3.034 0.415 1.00 0.00 N ATOM 1771 CA PRO A 117 -14.608 -3.782 -0.657 1.00 0.00 C ATOM 1772 C PRO A 117 -13.817 -3.649 -1.960 1.00 0.00 C ATOM 1773 O PRO A 117 -13.806 -4.566 -2.780 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.014 -3.214 -0.755 1.00 0.00 C ATOM 1775 CG PRO A 117 -15.968 -1.864 -0.057 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.675 -1.795 0.738 1.00 0.00 C ATOM 0 HA PRO A 117 -14.639 -4.854 -0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.320 -3.105 -1.796 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.737 -3.876 -0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -16.011 -1.055 -0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.828 -1.745 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.085 -0.922 0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.871 -1.719 1.807 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.175 -2.500 -2.111 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.384 -2.235 -3.300 1.00 0.00 C ATOM 1786 C GLN A 118 -11.001 -1.709 -2.911 1.00 0.00 C ATOM 1787 O GLN A 118 -10.742 -1.440 -1.739 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.102 -1.254 -4.229 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.104 0.158 -3.639 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.369 0.919 -4.043 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -15.204 1.264 -3.224 1.00 0.00 O ATOM 1792 NE2 GLN A 118 -14.461 1.160 -5.348 1.00 0.00 N ATOM 0 H GLN A 118 -13.187 -1.742 -1.429 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.256 -3.171 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.612 -1.245 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.128 -1.586 -4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -13.040 0.102 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.223 0.701 -3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -13.725 0.842 -5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.268 1.662 -5.718 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.148 -1.580 -3.917 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.797 -1.092 -3.695 1.00 0.00 C ATOM 1803 C VAL A 119 -8.326 -0.326 -4.933 1.00 0.00 C ATOM 1804 O VAL A 119 -8.037 -0.927 -5.966 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.875 -2.255 -3.324 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -6.524 -1.743 -2.819 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -8.535 -3.171 -2.292 1.00 0.00 C ATOM 0 H VAL A 119 -10.366 -1.805 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.775 -0.397 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.696 -2.841 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.887 -2.589 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.044 -1.152 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.677 -1.123 -1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -7.858 -3.989 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -8.758 -2.601 -1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.459 -3.576 -2.704 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.264 0.989 -4.788 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.833 1.844 -5.881 1.00 0.00 C ATOM 1819 C GLU A 120 -6.353 2.199 -5.726 1.00 0.00 C ATOM 1820 O GLU A 120 -5.978 2.922 -4.805 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.694 3.106 -5.963 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.232 4.011 -7.107 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.310 5.485 -6.706 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -8.096 5.758 -5.505 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -8.582 6.306 -7.608 1.00 0.00 O ATOM 0 H GLU A 120 -8.505 1.484 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 120 -7.959 1.297 -6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.738 2.829 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.640 3.650 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.208 3.759 -7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.852 3.836 -7.986 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.552 1.673 -6.641 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.121 1.926 -6.617 1.00 0.00 C ATOM 1834 C LEU A 121 -3.796 3.082 -7.565 1.00 0.00 C ATOM 1835 O LEU A 121 -4.609 3.440 -8.416 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.345 0.643 -6.924 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.596 -0.534 -5.979 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -2.412 -1.504 -5.985 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -3.929 -0.044 -4.569 1.00 0.00 C ATOM 0 H LEU A 121 -5.866 1.073 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.805 2.232 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.590 0.328 -7.938 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.280 0.874 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.464 -1.084 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.616 -2.331 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.264 -1.891 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.512 -0.982 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.103 -0.901 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.096 0.543 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.826 0.575 -4.601 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.605 3.635 -7.385 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.163 4.744 -8.214 1.00 0.00 C ATOM 1853 C VAL A 122 -0.645 4.666 -8.395 1.00 0.00 C ATOM 1854 O VAL A 122 0.110 5.023 -7.492 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.624 6.069 -7.604 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.354 7.235 -8.558 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -4.103 6.009 -7.217 1.00 0.00 C ATOM 0 H VAL A 122 -1.933 3.336 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.613 4.683 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.046 6.239 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.691 8.165 -8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.285 7.298 -8.763 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.893 7.074 -9.491 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.405 6.963 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.703 5.805 -8.104 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.256 5.216 -6.485 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.245 4.196 -9.567 1.00 0.00 N ATOM 1868 CA VAL A 123 1.168 4.066 -9.878 1.00 0.00 C ATOM 1869 C VAL A 123 1.542 5.075 -10.966 1.00 0.00 C ATOM 1870 O VAL A 123 0.683 5.516 -11.729 1.00 0.00 O ATOM 1871 CB VAL A 123 1.488 2.622 -10.267 1.00 0.00 C ATOM 1872 CG1 VAL A 123 0.379 2.031 -11.139 1.00 0.00 C ATOM 1873 CG2 VAL A 123 2.845 2.530 -10.968 1.00 0.00 C ATOM 0 H VAL A 123 -0.875 3.900 -10.313 1.00 0.00 H new ATOM 0 HA VAL A 123 1.774 4.294 -9.001 1.00 0.00 H new ATOM 0 HB VAL A 123 1.544 2.033 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.631 1.004 -11.402 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.562 2.044 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.277 2.623 -12.048 1.00 0.00 H new ATOM 0 HG21 VAL A 123 3.048 1.492 -11.234 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.830 3.140 -11.871 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.625 2.892 -10.299 1.00 0.00 H new ATOM 1883 N SER A 124 2.823 5.411 -11.003 1.00 0.00 N ATOM 1884 CA SER A 124 3.320 6.360 -11.985 1.00 0.00 C ATOM 1885 C SER A 124 4.257 5.654 -12.967 1.00 0.00 C ATOM 1886 O SER A 124 4.784 4.583 -12.667 1.00 0.00 O ATOM 1887 CB SER A 124 4.042 7.526 -11.308 1.00 0.00 C ATOM 1888 OG SER A 124 4.973 8.157 -12.182 1.00 0.00 O ATOM 0 H SER A 124 3.532 5.043 -10.369 1.00 0.00 H new ATOM 0 HA SER A 124 2.468 6.764 -12.532 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.309 8.258 -10.969 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.564 7.164 -10.422 1.00 0.00 H new ATOM 0 HG SER A 124 5.412 8.897 -11.713 1.00 0.00 H new ATOM 1894 N ARG A 125 4.435 6.281 -14.120 1.00 0.00 N ATOM 1895 CA ARG A 125 5.299 5.726 -15.148 1.00 0.00 C ATOM 1896 C ARG A 125 5.991 6.849 -15.924 1.00 0.00 C ATOM 1897 O ARG A 125 5.498 7.976 -15.963 1.00 0.00 O ATOM 1898 CB ARG A 125 4.505 4.855 -16.124 1.00 0.00 C ATOM 1899 CG ARG A 125 4.959 3.396 -16.051 1.00 0.00 C ATOM 1900 CD ARG A 125 3.952 2.474 -16.741 1.00 0.00 C ATOM 1901 NE ARG A 125 4.032 1.114 -16.162 1.00 0.00 N ATOM 1902 CZ ARG A 125 3.641 0.002 -16.800 1.00 0.00 C ATOM 1903 NH1 ARG A 125 3.142 0.082 -18.041 1.00 0.00 N ATOM 1904 NH2 ARG A 125 3.750 -1.190 -16.197 1.00 0.00 N ATOM 0 H ARG A 125 3.996 7.168 -14.365 1.00 0.00 H new ATOM 0 HA ARG A 125 6.048 5.107 -14.653 1.00 0.00 H new ATOM 0 HB2 ARG A 125 3.442 4.921 -15.893 1.00 0.00 H new ATOM 0 HB3 ARG A 125 4.635 5.230 -17.139 1.00 0.00 H new ATOM 0 HG2 ARG A 125 5.936 3.291 -16.523 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.075 3.099 -15.009 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.943 2.870 -16.623 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.156 2.435 -17.811 1.00 0.00 H new ATOM 0 HE ARG A 125 4.408 1.017 -15.219 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.060 0.989 -18.500 1.00 0.00 H new ATOM 0 HH12 ARG A 125 2.844 -0.764 -18.527 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.130 -1.251 -15.253 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.452 -2.036 -16.683 1.00 0.00 H new ATOM 1918 N SER A 126 7.121 6.503 -16.521 1.00 0.00 N ATOM 1919 CA SER A 126 7.885 7.469 -17.294 1.00 0.00 C ATOM 1920 C SER A 126 7.590 7.296 -18.785 1.00 0.00 C ATOM 1921 O SER A 126 8.114 6.385 -19.424 1.00 0.00 O ATOM 1922 CB SER A 126 9.385 7.323 -17.029 1.00 0.00 C ATOM 1923 OG SER A 126 9.960 6.261 -17.785 1.00 0.00 O ATOM 0 H SER A 126 7.527 5.568 -16.486 1.00 0.00 H new ATOM 0 HA SER A 126 7.585 8.470 -16.984 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.889 8.257 -17.275 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.550 7.142 -15.967 1.00 0.00 H new ATOM 0 HG SER A 126 9.250 5.758 -18.235 1.00 0.00 H new ATOM 1929 N GLY A 127 6.752 8.186 -19.296 1.00 0.00 N ATOM 1930 CA GLY A 127 6.382 8.144 -20.701 1.00 0.00 C ATOM 1931 C GLY A 127 5.646 6.845 -21.035 1.00 0.00 C ATOM 1932 O GLY A 127 5.841 5.828 -20.371 1.00 0.00 O ATOM 0 H GLY A 127 6.319 8.940 -18.763 1.00 0.00 H new ATOM 0 HA2 GLY A 127 5.747 8.997 -20.939 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.276 8.229 -21.319 1.00 0.00 H new ATOM 1936 N PRO A 128 4.793 6.923 -22.092 1.00 0.00 N ATOM 1937 CA PRO A 128 4.027 5.766 -22.522 1.00 0.00 C ATOM 1938 C PRO A 128 4.915 4.767 -23.267 1.00 0.00 C ATOM 1939 O PRO A 128 5.704 5.154 -24.128 1.00 0.00 O ATOM 1940 CB PRO A 128 2.913 6.331 -23.388 1.00 0.00 C ATOM 1941 CG PRO A 128 3.364 7.726 -23.789 1.00 0.00 C ATOM 1942 CD PRO A 128 4.537 8.110 -22.902 1.00 0.00 C ATOM 0 HA PRO A 128 3.615 5.200 -21.686 1.00 0.00 H new ATOM 0 HB2 PRO A 128 2.746 5.707 -24.266 1.00 0.00 H new ATOM 0 HB3 PRO A 128 1.972 6.367 -22.839 1.00 0.00 H new ATOM 0 HG2 PRO A 128 3.657 7.745 -24.839 1.00 0.00 H new ATOM 0 HG3 PRO A 128 2.548 8.439 -23.673 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.410 8.380 -23.495 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.297 8.971 -22.278 1.00 0.00 H new ATOM 1950 N SER A 129 4.756 3.501 -22.910 1.00 0.00 N ATOM 1951 CA SER A 129 5.533 2.444 -23.534 1.00 0.00 C ATOM 1952 C SER A 129 4.608 1.500 -24.306 1.00 0.00 C ATOM 1953 O SER A 129 3.395 1.507 -24.099 1.00 0.00 O ATOM 1954 CB SER A 129 6.337 1.664 -22.493 1.00 0.00 C ATOM 1955 OG SER A 129 5.525 1.229 -21.406 1.00 0.00 O ATOM 0 H SER A 129 4.100 3.184 -22.196 1.00 0.00 H new ATOM 0 HA SER A 129 6.237 2.902 -24.229 1.00 0.00 H new ATOM 0 HB2 SER A 129 6.801 0.799 -22.967 1.00 0.00 H new ATOM 0 HB3 SER A 129 7.144 2.291 -22.114 1.00 0.00 H new ATOM 0 HG SER A 129 6.076 0.733 -20.764 1.00 0.00 H new ATOM 1961 N SER A 130 5.215 0.711 -25.180 1.00 0.00 N ATOM 1962 CA SER A 130 4.462 -0.236 -25.983 1.00 0.00 C ATOM 1963 C SER A 130 5.284 -1.507 -26.202 1.00 0.00 C ATOM 1964 O SER A 130 6.485 -1.438 -26.456 1.00 0.00 O ATOM 1965 CB SER A 130 4.063 0.377 -27.328 1.00 0.00 C ATOM 1966 OG SER A 130 2.649 0.481 -27.469 1.00 0.00 O ATOM 0 H SER A 130 6.221 0.708 -25.349 1.00 0.00 H new ATOM 0 HA SER A 130 3.549 -0.490 -25.445 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.510 1.366 -27.422 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.464 -0.233 -28.138 1.00 0.00 H new ATOM 0 HG SER A 130 2.435 0.878 -28.339 1.00 0.00 H new ATOM 1972 N GLY A 131 4.603 -2.639 -26.096 1.00 0.00 N ATOM 1973 CA GLY A 131 5.256 -3.925 -26.279 1.00 0.00 C ATOM 1974 C GLY A 131 5.074 -4.812 -25.046 1.00 0.00 C ATOM 1975 O GLY A 131 4.008 -4.819 -24.434 1.00 0.00 O ATOM 0 H GLY A 131 3.606 -2.693 -25.886 1.00 0.00 H new ATOM 0 HA2 GLY A 131 4.843 -4.425 -27.155 1.00 0.00 H new ATOM 0 HA3 GLY A 131 6.319 -3.774 -26.469 1.00 0.00 H new TER 1979 GLY A 131