USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 625 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 12 ASN : amide:sc= 0.00991 X(o=0.018,f=0.062) USER MOD Set 1.2: A 38 SER OG : rot 180:sc= 0.00782 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0741 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc=-0.00866 USER MOD Single : A 10 MET CE :methyl 177:sc= -0.19 (180deg=-0.215) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 34:sc= 0.0584 USER MOD Single : A 19 THR OG1 : rot -49:sc= 0.969 USER MOD Single : A 22 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.26) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-3.8!) USER MOD Single : A 32 GLN : amide:sc= -0.821! K(o=-0.82!,f=-2) USER MOD Single : A 35 SER OG : rot -130:sc= -0.334 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 90:sc= -0.519 USER MOD Single : A 49 SER OG : rot 100:sc= -0.72 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -3.72! C(o=-3.7!,f=-9.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 3:sc= -0.658 USER MOD Single : A 63 SER OG : rot -94:sc= 0.0302 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.35) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.432 35.156 22.033 1.00 0.00 N ATOM 2 CA GLY A 1 15.326 34.390 22.575 1.00 0.00 C ATOM 3 C GLY A 1 15.270 32.980 22.021 1.00 0.00 C ATOM 4 O GLY A 1 16.244 32.493 21.448 1.00 0.00 O ATOM 0 H1 GLY A 1 16.921 35.653 22.805 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.098 34.515 21.557 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.071 35.851 21.349 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.415 34.347 23.660 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.390 34.902 22.352 1.00 0.00 H new ATOM 8 N SER A 2 14.128 32.323 22.193 1.00 0.00 N ATOM 9 CA SER A 2 13.951 30.958 21.710 1.00 0.00 C ATOM 10 C SER A 2 13.492 30.952 20.255 1.00 0.00 C ATOM 11 O SER A 2 14.064 30.257 19.416 1.00 0.00 O ATOM 12 CB SER A 2 12.936 30.214 22.580 1.00 0.00 C ATOM 13 OG SER A 2 13.534 29.750 23.778 1.00 0.00 O ATOM 0 H SER A 2 13.311 32.713 22.663 1.00 0.00 H new ATOM 0 HA SER A 2 14.913 30.449 21.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.103 30.875 22.818 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.525 29.371 22.025 1.00 0.00 H new ATOM 0 HG SER A 2 12.864 29.280 24.317 1.00 0.00 H new ATOM 19 N SER A 3 12.455 31.731 19.965 1.00 0.00 N ATOM 20 CA SER A 3 11.916 31.813 18.613 1.00 0.00 C ATOM 21 C SER A 3 11.444 30.444 18.132 1.00 0.00 C ATOM 22 O SER A 3 11.703 30.050 16.996 1.00 0.00 O ATOM 23 CB SER A 3 12.970 32.368 17.653 1.00 0.00 C ATOM 24 OG SER A 3 13.168 33.756 17.860 1.00 0.00 O ATOM 0 H SER A 3 11.972 32.314 20.648 1.00 0.00 H new ATOM 0 HA SER A 3 11.060 32.488 18.630 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.912 31.838 17.796 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.658 32.192 16.624 1.00 0.00 H new ATOM 0 HG SER A 3 13.847 34.086 17.236 1.00 0.00 H new ATOM 30 N GLY A 4 10.749 29.724 19.007 1.00 0.00 N ATOM 31 CA GLY A 4 10.252 28.407 18.654 1.00 0.00 C ATOM 32 C GLY A 4 8.987 28.468 17.821 1.00 0.00 C ATOM 33 O GLY A 4 7.916 28.065 18.275 1.00 0.00 O ATOM 0 H GLY A 4 10.521 30.029 19.953 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.021 27.868 18.101 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.057 27.840 19.564 1.00 0.00 H new ATOM 37 N SER A 5 9.110 28.976 16.599 1.00 0.00 N ATOM 38 CA SER A 5 7.966 29.094 15.702 1.00 0.00 C ATOM 39 C SER A 5 8.131 28.184 14.488 1.00 0.00 C ATOM 40 O SER A 5 8.964 28.437 13.618 1.00 0.00 O ATOM 41 CB SER A 5 7.796 30.544 15.246 1.00 0.00 C ATOM 42 OG SER A 5 7.640 31.412 16.356 1.00 0.00 O ATOM 0 H SER A 5 9.990 29.312 16.207 1.00 0.00 H new ATOM 0 HA SER A 5 7.075 28.785 16.248 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.664 30.849 14.661 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.927 30.624 14.593 1.00 0.00 H new ATOM 0 HG SER A 5 7.535 32.333 16.039 1.00 0.00 H new ATOM 48 N SER A 6 7.331 27.124 14.438 1.00 0.00 N ATOM 49 CA SER A 6 7.390 26.173 13.334 1.00 0.00 C ATOM 50 C SER A 6 5.988 25.746 12.910 1.00 0.00 C ATOM 51 O SER A 6 5.139 25.441 13.747 1.00 0.00 O ATOM 52 CB SER A 6 8.210 24.945 13.734 1.00 0.00 C ATOM 53 OG SER A 6 7.699 24.353 14.916 1.00 0.00 O ATOM 0 H SER A 6 6.634 26.902 15.149 1.00 0.00 H new ATOM 0 HA SER A 6 7.873 26.664 12.489 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.198 24.216 12.924 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.250 25.233 13.888 1.00 0.00 H new ATOM 0 HG SER A 6 8.239 23.569 15.149 1.00 0.00 H new ATOM 59 N GLY A 7 5.752 25.727 11.601 1.00 0.00 N ATOM 60 CA GLY A 7 4.453 25.336 11.087 1.00 0.00 C ATOM 61 C GLY A 7 4.455 25.155 9.582 1.00 0.00 C ATOM 62 O GLY A 7 5.061 25.943 8.856 1.00 0.00 O ATOM 0 H GLY A 7 6.438 25.976 10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.143 24.405 11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.716 26.092 11.358 1.00 0.00 H new ATOM 66 N SER A 8 3.777 24.113 9.112 1.00 0.00 N ATOM 67 CA SER A 8 3.708 23.828 7.683 1.00 0.00 C ATOM 68 C SER A 8 2.382 23.165 7.325 1.00 0.00 C ATOM 69 O SER A 8 1.793 22.428 8.117 1.00 0.00 O ATOM 70 CB SER A 8 4.871 22.926 7.265 1.00 0.00 C ATOM 71 OG SER A 8 6.118 23.520 7.584 1.00 0.00 O ATOM 0 H SER A 8 3.268 23.452 9.699 1.00 0.00 H new ATOM 0 HA SER A 8 3.779 24.773 7.145 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.785 21.962 7.766 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.820 22.734 6.193 1.00 0.00 H new ATOM 0 HG SER A 8 6.845 22.923 7.308 1.00 0.00 H new ATOM 77 N PRO A 9 1.899 23.432 6.103 1.00 0.00 N ATOM 78 CA PRO A 9 0.637 22.872 5.610 1.00 0.00 C ATOM 79 C PRO A 9 0.730 21.372 5.353 1.00 0.00 C ATOM 80 O PRO A 9 1.626 20.908 4.647 1.00 0.00 O ATOM 81 CB PRO A 9 0.402 23.626 4.299 1.00 0.00 C ATOM 82 CG PRO A 9 1.760 24.042 3.852 1.00 0.00 C ATOM 83 CD PRO A 9 2.548 24.301 5.107 1.00 0.00 C ATOM 0 HA PRO A 9 -0.170 22.987 6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.081 22.990 3.558 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.247 24.489 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.229 23.263 3.251 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.710 24.937 3.231 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.601 24.049 4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 9 2.504 25.350 5.400 1.00 0.00 H new ATOM 91 N MET A 10 -0.201 20.618 5.928 1.00 0.00 N ATOM 92 CA MET A 10 -0.224 19.170 5.759 1.00 0.00 C ATOM 93 C MET A 10 -0.486 18.797 4.303 1.00 0.00 C ATOM 94 O MET A 10 -1.383 19.345 3.664 1.00 0.00 O ATOM 95 CB MET A 10 -1.293 18.546 6.658 1.00 0.00 C ATOM 96 CG MET A 10 -2.690 19.093 6.410 1.00 0.00 C ATOM 97 SD MET A 10 -3.933 18.328 7.468 1.00 0.00 S ATOM 98 CE MET A 10 -5.221 19.572 7.432 1.00 0.00 C ATOM 0 H MET A 10 -0.950 20.986 6.515 1.00 0.00 H new ATOM 0 HA MET A 10 0.753 18.781 6.046 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.301 17.467 6.504 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.024 18.717 7.700 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.689 20.170 6.577 1.00 0.00 H new ATOM 0 HG3 MET A 10 -2.959 18.933 5.366 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.083 19.220 7.999 1.00 0.00 H new ATOM 0 HE2 MET A 10 -4.848 20.495 7.875 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.518 19.759 6.400 1.00 0.00 H new ATOM 108 N ALA A 11 0.303 17.861 3.785 1.00 0.00 N ATOM 109 CA ALA A 11 0.155 17.414 2.406 1.00 0.00 C ATOM 110 C ALA A 11 -1.287 17.013 2.111 1.00 0.00 C ATOM 111 O ALA A 11 -1.852 17.401 1.090 1.00 0.00 O ATOM 112 CB ALA A 11 1.096 16.253 2.123 1.00 0.00 C ATOM 0 H ALA A 11 1.051 17.398 4.300 1.00 0.00 H new ATOM 0 HA ALA A 11 0.415 18.245 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.974 15.930 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.126 16.572 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.863 15.425 2.792 1.00 0.00 H new ATOM 118 N ASN A 12 -1.875 16.233 3.012 1.00 0.00 N ATOM 119 CA ASN A 12 -3.251 15.779 2.847 1.00 0.00 C ATOM 120 C ASN A 12 -4.115 16.222 4.024 1.00 0.00 C ATOM 121 O ASN A 12 -3.752 16.026 5.183 1.00 0.00 O ATOM 122 CB ASN A 12 -3.294 14.255 2.714 1.00 0.00 C ATOM 123 CG ASN A 12 -2.298 13.735 1.696 1.00 0.00 C ATOM 124 OD1 ASN A 12 -2.488 13.889 0.490 1.00 0.00 O ATOM 125 ND2 ASN A 12 -1.227 13.115 2.180 1.00 0.00 N ATOM 0 H ASN A 12 -1.421 15.902 3.863 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.649 16.229 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.088 13.802 3.684 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.299 13.946 2.426 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.521 12.744 1.544 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.110 13.010 3.188 1.00 0.00 H new ATOM 132 N SER A 13 -5.262 16.820 3.716 1.00 0.00 N ATOM 133 CA SER A 13 -6.177 17.295 4.748 1.00 0.00 C ATOM 134 C SER A 13 -7.147 16.193 5.162 1.00 0.00 C ATOM 135 O SER A 13 -7.529 16.092 6.327 1.00 0.00 O ATOM 136 CB SER A 13 -6.955 18.513 4.247 1.00 0.00 C ATOM 137 OG SER A 13 -7.680 18.207 3.069 1.00 0.00 O ATOM 0 H SER A 13 -5.579 16.987 2.761 1.00 0.00 H new ATOM 0 HA SER A 13 -5.587 17.582 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.642 18.853 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.265 19.333 4.050 1.00 0.00 H new ATOM 0 HG SER A 13 -8.170 19.002 2.771 1.00 0.00 H new ATOM 143 N GLY A 14 -7.542 15.367 4.198 1.00 0.00 N ATOM 144 CA GLY A 14 -8.464 14.283 4.481 1.00 0.00 C ATOM 145 C GLY A 14 -7.838 13.196 5.332 1.00 0.00 C ATOM 146 O GLY A 14 -6.616 13.069 5.413 1.00 0.00 O ATOM 0 H GLY A 14 -7.240 15.429 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -9.341 14.680 4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.811 13.851 3.542 1.00 0.00 H new ATOM 150 N PRO A 15 -8.686 12.389 5.987 1.00 0.00 N ATOM 151 CA PRO A 15 -8.230 11.294 6.848 1.00 0.00 C ATOM 152 C PRO A 15 -7.604 10.153 6.054 1.00 0.00 C ATOM 153 O PRO A 15 -7.630 10.153 4.822 1.00 0.00 O ATOM 154 CB PRO A 15 -9.515 10.825 7.535 1.00 0.00 C ATOM 155 CG PRO A 15 -10.608 11.212 6.599 1.00 0.00 C ATOM 156 CD PRO A 15 -10.154 12.483 5.936 1.00 0.00 C ATOM 0 HA PRO A 15 -7.453 11.617 7.541 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.502 9.748 7.706 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.640 11.300 8.508 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.786 10.429 5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.545 11.364 7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.517 12.553 4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.519 13.364 6.464 1.00 0.00 H new ATOM 164 N LEU A 16 -7.042 9.182 6.765 1.00 0.00 N ATOM 165 CA LEU A 16 -6.409 8.034 6.126 1.00 0.00 C ATOM 166 C LEU A 16 -7.212 7.574 4.914 1.00 0.00 C ATOM 167 O LEU A 16 -8.354 7.130 5.045 1.00 0.00 O ATOM 168 CB LEU A 16 -6.267 6.884 7.124 1.00 0.00 C ATOM 169 CG LEU A 16 -5.519 7.207 8.418 1.00 0.00 C ATOM 170 CD1 LEU A 16 -5.980 6.293 9.543 1.00 0.00 C ATOM 171 CD2 LEU A 16 -4.016 7.084 8.211 1.00 0.00 C ATOM 0 H LEU A 16 -7.012 9.167 7.784 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.418 8.338 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.264 6.529 7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.755 6.060 6.628 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.744 8.236 8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.437 6.537 10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.049 6.430 9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.785 5.255 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.500 7.318 9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.773 6.066 7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.697 7.780 7.435 1.00 0.00 H new ATOM 183 N CYS A 17 -6.609 7.681 3.735 1.00 0.00 N ATOM 184 CA CYS A 17 -7.268 7.274 2.499 1.00 0.00 C ATOM 185 C CYS A 17 -6.258 6.711 1.504 1.00 0.00 C ATOM 186 O CYS A 17 -5.253 7.351 1.193 1.00 0.00 O ATOM 187 CB CYS A 17 -8.007 8.460 1.877 1.00 0.00 C ATOM 188 SG CYS A 17 -6.950 9.881 1.515 1.00 0.00 S ATOM 0 H CYS A 17 -5.665 8.046 3.609 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.988 6.492 2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.486 8.132 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.801 8.775 2.554 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.766 9.466 1.175 1.00 0.00 H new ATOM 194 N CYS A 18 -6.530 5.508 1.010 1.00 0.00 N ATOM 195 CA CYS A 18 -5.645 4.856 0.052 1.00 0.00 C ATOM 196 C CYS A 18 -5.075 5.868 -0.938 1.00 0.00 C ATOM 197 O CYS A 18 -5.645 6.940 -1.146 1.00 0.00 O ATOM 198 CB CYS A 18 -6.396 3.757 -0.702 1.00 0.00 C ATOM 199 SG CYS A 18 -5.345 2.761 -1.807 1.00 0.00 S ATOM 0 H CYS A 18 -7.357 4.964 1.257 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.819 4.409 0.605 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.873 3.096 0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -7.192 4.214 -1.290 1.00 0.00 H new ATOM 204 N THR A 19 -3.945 5.521 -1.546 1.00 0.00 N ATOM 205 CA THR A 19 -3.296 6.397 -2.513 1.00 0.00 C ATOM 206 C THR A 19 -3.826 6.151 -3.921 1.00 0.00 C ATOM 207 O THR A 19 -3.972 7.083 -4.711 1.00 0.00 O ATOM 208 CB THR A 19 -1.768 6.204 -2.510 1.00 0.00 C ATOM 209 OG1 THR A 19 -1.229 6.578 -1.237 1.00 0.00 O ATOM 210 CG2 THR A 19 -1.116 7.033 -3.606 1.00 0.00 C ATOM 0 H THR A 19 -3.460 4.638 -1.385 1.00 0.00 H new ATOM 0 HA THR A 19 -3.525 7.420 -2.216 1.00 0.00 H new ATOM 0 HB THR A 19 -1.557 5.151 -2.698 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.580 7.456 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.037 6.881 -3.584 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.507 6.725 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.337 8.088 -3.444 1.00 0.00 H new ATOM 218 N ILE A 20 -4.111 4.890 -4.228 1.00 0.00 N ATOM 219 CA ILE A 20 -4.626 4.522 -5.541 1.00 0.00 C ATOM 220 C ILE A 20 -6.140 4.696 -5.606 1.00 0.00 C ATOM 221 O ILE A 20 -6.671 5.252 -6.568 1.00 0.00 O ATOM 222 CB ILE A 20 -4.273 3.065 -5.896 1.00 0.00 C ATOM 223 CG1 ILE A 20 -2.758 2.907 -6.043 1.00 0.00 C ATOM 224 CG2 ILE A 20 -4.982 2.645 -7.175 1.00 0.00 C ATOM 225 CD1 ILE A 20 -2.258 1.524 -5.688 1.00 0.00 C ATOM 0 H ILE A 20 -3.994 4.106 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.154 5.188 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.611 2.417 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.475 3.134 -7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.261 3.639 -5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.723 1.613 -7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.060 2.725 -7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.672 3.295 -7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.176 1.484 -5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.510 1.301 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.727 0.789 -6.342 1.00 0.00 H new ATOM 237 N CYS A 21 -6.830 4.220 -4.575 1.00 0.00 N ATOM 238 CA CYS A 21 -8.283 4.324 -4.514 1.00 0.00 C ATOM 239 C CYS A 21 -8.710 5.720 -4.071 1.00 0.00 C ATOM 240 O CYS A 21 -9.595 6.330 -4.672 1.00 0.00 O ATOM 241 CB CYS A 21 -8.850 3.276 -3.553 1.00 0.00 C ATOM 242 SG CYS A 21 -8.301 1.574 -3.901 1.00 0.00 S ATOM 0 H CYS A 21 -6.406 3.758 -3.770 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.678 4.143 -5.514 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.562 3.538 -2.535 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.939 3.311 -3.595 1.00 0.00 H new ATOM 247 N HIS A 22 -8.075 6.220 -3.016 1.00 0.00 N ATOM 248 CA HIS A 22 -8.388 7.545 -2.492 1.00 0.00 C ATOM 249 C HIS A 22 -9.718 7.534 -1.745 1.00 0.00 C ATOM 250 O HIS A 22 -10.483 8.495 -1.807 1.00 0.00 O ATOM 251 CB HIS A 22 -8.437 8.567 -3.628 1.00 0.00 C ATOM 252 CG HIS A 22 -8.334 9.987 -3.162 1.00 0.00 C ATOM 253 ND1 HIS A 22 -9.373 10.888 -3.260 1.00 0.00 N ATOM 254 CD2 HIS A 22 -7.308 10.659 -2.590 1.00 0.00 C ATOM 255 CE1 HIS A 22 -8.989 12.054 -2.770 1.00 0.00 C ATOM 256 NE2 HIS A 22 -7.740 11.941 -2.356 1.00 0.00 N ATOM 0 H HIS A 22 -7.341 5.728 -2.507 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.601 7.827 -1.793 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -7.624 8.362 -4.325 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.369 8.441 -4.179 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.331 10.261 -2.360 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.594 12.947 -2.717 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -7.186 12.685 -1.931 1.00 0.00 H new ATOM 264 N GLU A 23 -9.986 6.439 -1.040 1.00 0.00 N ATOM 265 CA GLU A 23 -11.225 6.303 -0.283 1.00 0.00 C ATOM 266 C GLU A 23 -10.937 5.936 1.170 1.00 0.00 C ATOM 267 O GLU A 23 -9.782 5.765 1.561 1.00 0.00 O ATOM 268 CB GLU A 23 -12.124 5.241 -0.919 1.00 0.00 C ATOM 269 CG GLU A 23 -12.566 5.586 -2.331 1.00 0.00 C ATOM 270 CD GLU A 23 -13.850 6.393 -2.360 1.00 0.00 C ATOM 271 OE1 GLU A 23 -13.787 7.614 -2.107 1.00 0.00 O ATOM 272 OE2 GLU A 23 -14.916 5.804 -2.635 1.00 0.00 O ATOM 0 H GLU A 23 -9.362 5.634 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.740 7.264 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.593 4.289 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.006 5.102 -0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.776 6.149 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.707 4.666 -2.899 1.00 0.00 H new ATOM 279 N ARG A 24 -11.995 5.818 1.966 1.00 0.00 N ATOM 280 CA ARG A 24 -11.856 5.474 3.376 1.00 0.00 C ATOM 281 C ARG A 24 -11.451 4.012 3.541 1.00 0.00 C ATOM 282 O ARG A 24 -12.301 3.121 3.571 1.00 0.00 O ATOM 283 CB ARG A 24 -13.167 5.738 4.118 1.00 0.00 C ATOM 284 CG ARG A 24 -13.316 7.172 4.599 1.00 0.00 C ATOM 285 CD ARG A 24 -13.666 8.110 3.454 1.00 0.00 C ATOM 286 NE ARG A 24 -13.736 9.502 3.889 1.00 0.00 N ATOM 287 CZ ARG A 24 -14.470 10.427 3.279 1.00 0.00 C ATOM 288 NH1 ARG A 24 -15.192 10.108 2.214 1.00 0.00 N ATOM 289 NH2 ARG A 24 -14.482 11.673 3.735 1.00 0.00 N ATOM 0 H ARG A 24 -12.958 5.956 1.658 1.00 0.00 H new ATOM 0 HA ARG A 24 -11.072 6.101 3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.002 5.496 3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.231 5.068 4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.093 7.222 5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.387 7.498 5.067 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.920 8.014 2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.624 7.816 3.024 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.192 9.780 4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.185 9.151 1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.755 10.820 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.928 11.922 4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.046 12.382 3.266 1.00 0.00 H new ATOM 303 N LEU A 25 -10.149 3.773 3.648 1.00 0.00 N ATOM 304 CA LEU A 25 -9.631 2.419 3.810 1.00 0.00 C ATOM 305 C LEU A 25 -10.489 1.620 4.785 1.00 0.00 C ATOM 306 O LEU A 25 -11.081 2.180 5.707 1.00 0.00 O ATOM 307 CB LEU A 25 -8.183 2.461 4.303 1.00 0.00 C ATOM 308 CG LEU A 25 -7.135 2.884 3.273 1.00 0.00 C ATOM 309 CD1 LEU A 25 -5.854 3.322 3.965 1.00 0.00 C ATOM 310 CD2 LEU A 25 -6.856 1.748 2.300 1.00 0.00 C ATOM 0 H LEU A 25 -9.433 4.499 3.626 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.664 1.926 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.128 3.146 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.918 1.471 4.676 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.527 3.731 2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.120 3.619 3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.065 4.166 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.457 2.495 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.108 2.066 1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.484 0.882 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.776 1.480 1.780 1.00 0.00 H new ATOM 322 N GLU A 26 -10.549 0.308 4.576 1.00 0.00 N ATOM 323 CA GLU A 26 -11.335 -0.567 5.438 1.00 0.00 C ATOM 324 C GLU A 26 -10.722 -0.648 6.834 1.00 0.00 C ATOM 325 O GLU A 26 -11.435 -0.650 7.837 1.00 0.00 O ATOM 326 CB GLU A 26 -11.430 -1.967 4.829 1.00 0.00 C ATOM 327 CG GLU A 26 -10.080 -2.621 4.591 1.00 0.00 C ATOM 328 CD GLU A 26 -9.420 -2.147 3.311 1.00 0.00 C ATOM 329 OE1 GLU A 26 -10.142 -1.926 2.317 1.00 0.00 O ATOM 330 OE2 GLU A 26 -8.180 -1.996 3.304 1.00 0.00 O ATOM 0 H GLU A 26 -10.063 -0.171 3.818 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.337 -0.147 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.020 -2.602 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.967 -1.906 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.423 -2.408 5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.207 -3.703 4.551 1.00 0.00 H new ATOM 337 N ASP A 27 -9.397 -0.715 6.888 1.00 0.00 N ATOM 338 CA ASP A 27 -8.687 -0.796 8.160 1.00 0.00 C ATOM 339 C ASP A 27 -7.177 -0.796 7.940 1.00 0.00 C ATOM 340 O ASP A 27 -6.694 -1.170 6.871 1.00 0.00 O ATOM 341 CB ASP A 27 -9.104 -2.055 8.922 1.00 0.00 C ATOM 342 CG ASP A 27 -9.018 -1.877 10.425 1.00 0.00 C ATOM 343 OD1 ASP A 27 -9.479 -0.830 10.926 1.00 0.00 O ATOM 344 OD2 ASP A 27 -8.491 -2.785 11.100 1.00 0.00 O ATOM 0 H ASP A 27 -8.792 -0.715 6.067 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.950 0.081 8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.125 -2.320 8.648 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.467 -2.886 8.620 1.00 0.00 H new ATOM 349 N THR A 28 -6.436 -0.373 8.960 1.00 0.00 N ATOM 350 CA THR A 28 -4.982 -0.321 8.878 1.00 0.00 C ATOM 351 C THR A 28 -4.437 -1.475 8.045 1.00 0.00 C ATOM 352 O THR A 28 -3.410 -1.343 7.379 1.00 0.00 O ATOM 353 CB THR A 28 -4.339 -0.365 10.277 1.00 0.00 C ATOM 354 OG1 THR A 28 -2.920 -0.204 10.169 1.00 0.00 O ATOM 355 CG2 THR A 28 -4.654 -1.678 10.977 1.00 0.00 C ATOM 0 H THR A 28 -6.820 -0.062 9.852 1.00 0.00 H new ATOM 0 HA THR A 28 -4.726 0.623 8.398 1.00 0.00 H new ATOM 0 HB THR A 28 -4.753 0.451 10.869 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.519 -0.232 11.063 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.189 -1.685 11.963 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.734 -1.783 11.084 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.265 -2.508 10.386 1.00 0.00 H new ATOM 363 N HIS A 29 -5.132 -2.608 8.085 1.00 0.00 N ATOM 364 CA HIS A 29 -4.717 -3.786 7.332 1.00 0.00 C ATOM 365 C HIS A 29 -4.028 -3.385 6.031 1.00 0.00 C ATOM 366 O HIS A 29 -3.082 -4.038 5.590 1.00 0.00 O ATOM 367 CB HIS A 29 -5.924 -4.675 7.029 1.00 0.00 C ATOM 368 CG HIS A 29 -6.787 -4.941 8.224 1.00 0.00 C ATOM 369 ND1 HIS A 29 -8.149 -5.139 8.141 1.00 0.00 N ATOM 370 CD2 HIS A 29 -6.473 -5.042 9.537 1.00 0.00 C ATOM 371 CE1 HIS A 29 -8.636 -5.349 9.350 1.00 0.00 C ATOM 372 NE2 HIS A 29 -7.640 -5.296 10.216 1.00 0.00 N ATOM 0 H HIS A 29 -5.984 -2.735 8.631 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.007 -4.344 7.942 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.527 -4.203 6.253 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.573 -5.625 6.626 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.489 -4.942 9.970 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.673 -5.533 9.590 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.724 -5.423 11.225 1.00 0.00 H new ATOM 380 N PHE A 30 -4.508 -2.306 5.421 1.00 0.00 N ATOM 381 CA PHE A 30 -3.939 -1.819 4.170 1.00 0.00 C ATOM 382 C PHE A 30 -2.419 -1.733 4.261 1.00 0.00 C ATOM 383 O PHE A 30 -1.860 -1.530 5.339 1.00 0.00 O ATOM 384 CB PHE A 30 -4.519 -0.446 3.822 1.00 0.00 C ATOM 385 CG PHE A 30 -4.013 0.659 4.705 1.00 0.00 C ATOM 386 CD1 PHE A 30 -2.816 1.297 4.422 1.00 0.00 C ATOM 387 CD2 PHE A 30 -4.735 1.060 5.817 1.00 0.00 C ATOM 388 CE1 PHE A 30 -2.348 2.315 5.232 1.00 0.00 C ATOM 389 CE2 PHE A 30 -4.273 2.078 6.630 1.00 0.00 C ATOM 390 CZ PHE A 30 -3.077 2.705 6.338 1.00 0.00 C ATOM 0 H PHE A 30 -5.289 -1.753 5.773 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.199 -2.526 3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.279 -0.211 2.785 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.606 -0.490 3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.242 0.995 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.669 0.572 6.051 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.414 2.804 5.000 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.847 2.383 7.493 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.713 3.499 6.974 1.00 0.00 H new ATOM 400 N VAL A 31 -1.754 -1.889 3.120 1.00 0.00 N ATOM 401 CA VAL A 31 -0.298 -1.828 3.070 1.00 0.00 C ATOM 402 C VAL A 31 0.194 -0.386 3.103 1.00 0.00 C ATOM 403 O VAL A 31 -0.026 0.377 2.163 1.00 0.00 O ATOM 404 CB VAL A 31 0.249 -2.516 1.805 1.00 0.00 C ATOM 405 CG1 VAL A 31 1.769 -2.464 1.783 1.00 0.00 C ATOM 406 CG2 VAL A 31 -0.245 -3.953 1.725 1.00 0.00 C ATOM 0 H VAL A 31 -2.200 -2.058 2.219 1.00 0.00 H new ATOM 0 HA VAL A 31 0.071 -2.355 3.950 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.121 -1.979 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.137 -2.955 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.098 -1.425 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.163 -2.975 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.151 -4.424 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.094 -4.504 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.334 -3.962 1.690 1.00 0.00 H new ATOM 416 N GLN A 32 0.862 -0.019 4.193 1.00 0.00 N ATOM 417 CA GLN A 32 1.385 1.333 4.348 1.00 0.00 C ATOM 418 C GLN A 32 2.904 1.348 4.211 1.00 0.00 C ATOM 419 O GLN A 32 3.607 0.611 4.902 1.00 0.00 O ATOM 420 CB GLN A 32 0.978 1.907 5.707 1.00 0.00 C ATOM 421 CG GLN A 32 0.955 3.426 5.743 1.00 0.00 C ATOM 422 CD GLN A 32 2.343 4.029 5.837 1.00 0.00 C ATOM 423 OE1 GLN A 32 3.093 3.747 6.772 1.00 0.00 O ATOM 424 NE2 GLN A 32 2.693 4.863 4.865 1.00 0.00 N ATOM 0 H GLN A 32 1.053 -0.639 4.980 1.00 0.00 H new ATOM 0 HA GLN A 32 0.961 1.953 3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.011 1.531 5.970 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.670 1.544 6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.461 3.799 4.846 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.361 3.756 6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.040 5.068 4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.615 5.298 4.874 1.00 0.00 H new ATOM 433 N CYS A 33 3.403 2.193 3.315 1.00 0.00 N ATOM 434 CA CYS A 33 4.839 2.304 3.086 1.00 0.00 C ATOM 435 C CYS A 33 5.567 2.688 4.371 1.00 0.00 C ATOM 436 O CYS A 33 5.240 3.676 5.028 1.00 0.00 O ATOM 437 CB CYS A 33 5.123 3.340 1.997 1.00 0.00 C ATOM 438 SG CYS A 33 6.605 2.982 0.999 1.00 0.00 S ATOM 0 H CYS A 33 2.834 2.811 2.736 1.00 0.00 H new ATOM 0 HA CYS A 33 5.206 1.331 2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.259 3.402 1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.239 4.319 2.463 1.00 0.00 H new ATOM 443 N PRO A 34 6.578 1.887 4.739 1.00 0.00 N ATOM 444 CA PRO A 34 7.374 2.123 5.947 1.00 0.00 C ATOM 445 C PRO A 34 8.264 3.355 5.824 1.00 0.00 C ATOM 446 O PRO A 34 8.835 3.822 6.810 1.00 0.00 O ATOM 447 CB PRO A 34 8.227 0.857 6.063 1.00 0.00 C ATOM 448 CG PRO A 34 8.324 0.337 4.670 1.00 0.00 C ATOM 449 CD PRO A 34 7.023 0.691 4.004 1.00 0.00 C ATOM 0 HA PRO A 34 6.746 2.312 6.818 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.213 1.080 6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.764 0.127 6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.166 0.786 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.484 -0.741 4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.158 0.899 2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.299 -0.120 4.080 1.00 0.00 H new ATOM 457 N SER A 35 8.379 3.877 4.607 1.00 0.00 N ATOM 458 CA SER A 35 9.203 5.054 4.355 1.00 0.00 C ATOM 459 C SER A 35 8.339 6.247 3.957 1.00 0.00 C ATOM 460 O SER A 35 8.608 7.382 4.350 1.00 0.00 O ATOM 461 CB SER A 35 10.225 4.760 3.255 1.00 0.00 C ATOM 462 OG SER A 35 9.603 4.174 2.124 1.00 0.00 O ATOM 0 H SER A 35 7.912 3.504 3.780 1.00 0.00 H new ATOM 0 HA SER A 35 9.731 5.302 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.724 5.684 2.962 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.994 4.090 3.639 1.00 0.00 H new ATOM 0 HG SER A 35 10.095 3.368 1.861 1.00 0.00 H new ATOM 468 N VAL A 36 7.298 5.980 3.173 1.00 0.00 N ATOM 469 CA VAL A 36 6.393 7.030 2.722 1.00 0.00 C ATOM 470 C VAL A 36 5.075 6.986 3.487 1.00 0.00 C ATOM 471 O VAL A 36 4.343 5.997 3.457 1.00 0.00 O ATOM 472 CB VAL A 36 6.102 6.911 1.214 1.00 0.00 C ATOM 473 CG1 VAL A 36 5.169 8.023 0.760 1.00 0.00 C ATOM 474 CG2 VAL A 36 7.399 6.935 0.419 1.00 0.00 C ATOM 0 H VAL A 36 7.061 5.046 2.838 1.00 0.00 H new ATOM 0 HA VAL A 36 6.891 7.980 2.915 1.00 0.00 H new ATOM 0 HB VAL A 36 5.607 5.957 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.975 7.922 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.229 7.955 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.633 8.990 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.176 6.850 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.923 7.872 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.029 6.100 0.725 1.00 0.00 H new ATOM 484 N PRO A 37 4.763 8.085 4.191 1.00 0.00 N ATOM 485 CA PRO A 37 3.530 8.197 4.977 1.00 0.00 C ATOM 486 C PRO A 37 2.288 8.288 4.098 1.00 0.00 C ATOM 487 O PRO A 37 1.265 7.666 4.387 1.00 0.00 O ATOM 488 CB PRO A 37 3.727 9.497 5.761 1.00 0.00 C ATOM 489 CG PRO A 37 4.676 10.296 4.937 1.00 0.00 C ATOM 490 CD PRO A 37 5.588 9.301 4.273 1.00 0.00 C ATOM 0 HA PRO A 37 3.368 7.323 5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.782 10.023 5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.132 9.303 6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.143 10.892 4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.242 10.991 5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.903 9.640 3.286 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.493 9.134 4.856 1.00 0.00 H new ATOM 498 N SER A 38 2.384 9.065 3.024 1.00 0.00 N ATOM 499 CA SER A 38 1.266 9.239 2.105 1.00 0.00 C ATOM 500 C SER A 38 0.901 7.917 1.436 1.00 0.00 C ATOM 501 O SER A 38 -0.274 7.564 1.333 1.00 0.00 O ATOM 502 CB SER A 38 1.611 10.284 1.041 1.00 0.00 C ATOM 503 OG SER A 38 0.438 10.871 0.504 1.00 0.00 O ATOM 0 H SER A 38 3.224 9.584 2.769 1.00 0.00 H new ATOM 0 HA SER A 38 0.406 9.585 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.242 11.058 1.478 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.187 9.817 0.242 1.00 0.00 H new ATOM 0 HG SER A 38 0.685 11.536 -0.172 1.00 0.00 H new ATOM 509 N HIS A 39 1.918 7.191 0.982 1.00 0.00 N ATOM 510 CA HIS A 39 1.706 5.907 0.323 1.00 0.00 C ATOM 511 C HIS A 39 0.778 5.020 1.147 1.00 0.00 C ATOM 512 O HIS A 39 1.145 4.548 2.224 1.00 0.00 O ATOM 513 CB HIS A 39 3.042 5.198 0.100 1.00 0.00 C ATOM 514 CG HIS A 39 3.738 5.614 -1.160 1.00 0.00 C ATOM 515 ND1 HIS A 39 5.058 5.315 -1.424 1.00 0.00 N ATOM 516 CD2 HIS A 39 3.289 6.309 -2.231 1.00 0.00 C ATOM 517 CE1 HIS A 39 5.391 5.810 -2.603 1.00 0.00 C ATOM 518 NE2 HIS A 39 4.335 6.417 -3.114 1.00 0.00 N ATOM 0 H HIS A 39 2.896 7.470 1.058 1.00 0.00 H new ATOM 0 HA HIS A 39 1.237 6.095 -0.643 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.696 5.397 0.949 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.873 4.122 0.073 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.293 6.705 -2.366 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.362 5.732 -3.070 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.302 6.889 -4.018 1.00 0.00 H new ATOM 526 N LYS A 40 -0.428 4.797 0.635 1.00 0.00 N ATOM 527 CA LYS A 40 -1.410 3.967 1.323 1.00 0.00 C ATOM 528 C LYS A 40 -2.079 2.998 0.352 1.00 0.00 C ATOM 529 O LYS A 40 -3.127 3.300 -0.218 1.00 0.00 O ATOM 530 CB LYS A 40 -2.469 4.844 1.995 1.00 0.00 C ATOM 531 CG LYS A 40 -2.061 5.343 3.370 1.00 0.00 C ATOM 532 CD LYS A 40 -2.836 6.590 3.763 1.00 0.00 C ATOM 533 CE LYS A 40 -2.025 7.481 4.691 1.00 0.00 C ATOM 534 NZ LYS A 40 -2.487 8.896 4.645 1.00 0.00 N ATOM 0 H LYS A 40 -0.749 5.180 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.889 3.388 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.679 5.700 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.396 4.277 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.232 4.559 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.993 5.560 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.108 7.148 2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.766 6.302 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.101 7.107 5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.972 7.433 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.909 9.471 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.390 9.261 3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.484 8.945 4.936 1.00 0.00 H new ATOM 548 N PHE A 41 -1.466 1.833 0.170 1.00 0.00 N ATOM 549 CA PHE A 41 -2.002 0.820 -0.732 1.00 0.00 C ATOM 550 C PHE A 41 -2.661 -0.311 0.052 1.00 0.00 C ATOM 551 O PHE A 41 -2.030 -0.944 0.899 1.00 0.00 O ATOM 552 CB PHE A 41 -0.891 0.260 -1.623 1.00 0.00 C ATOM 553 CG PHE A 41 0.188 1.258 -1.934 1.00 0.00 C ATOM 554 CD1 PHE A 41 0.022 2.182 -2.953 1.00 0.00 C ATOM 555 CD2 PHE A 41 1.367 1.271 -1.207 1.00 0.00 C ATOM 556 CE1 PHE A 41 1.014 3.100 -3.241 1.00 0.00 C ATOM 557 CE2 PHE A 41 2.363 2.187 -1.491 1.00 0.00 C ATOM 558 CZ PHE A 41 2.185 3.104 -2.509 1.00 0.00 C ATOM 0 H PHE A 41 -0.598 1.567 0.635 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.758 1.291 -1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.444 -0.605 -1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.328 -0.093 -2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.892 2.185 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.510 0.557 -0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.873 3.814 -4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.279 2.186 -0.918 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.960 3.822 -2.732 1.00 0.00 H new ATOM 568 N CYS A 42 -3.934 -0.560 -0.237 1.00 0.00 N ATOM 569 CA CYS A 42 -4.680 -1.614 0.440 1.00 0.00 C ATOM 570 C CYS A 42 -4.433 -2.967 -0.222 1.00 0.00 C ATOM 571 O CYS A 42 -3.692 -3.065 -1.200 1.00 0.00 O ATOM 572 CB CYS A 42 -6.176 -1.295 0.430 1.00 0.00 C ATOM 573 SG CYS A 42 -6.804 -0.723 -1.181 1.00 0.00 S ATOM 0 H CYS A 42 -4.471 -0.046 -0.936 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.333 -1.665 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.729 -2.186 0.728 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.378 -0.530 1.179 1.00 0.00 H new ATOM 578 N PHE A 43 -5.060 -4.007 0.317 1.00 0.00 N ATOM 579 CA PHE A 43 -4.908 -5.354 -0.220 1.00 0.00 C ATOM 580 C PHE A 43 -5.164 -5.372 -1.724 1.00 0.00 C ATOM 581 O PHE A 43 -4.337 -5.827 -2.514 1.00 0.00 O ATOM 582 CB PHE A 43 -5.867 -6.317 0.483 1.00 0.00 C ATOM 583 CG PHE A 43 -5.289 -6.940 1.722 1.00 0.00 C ATOM 584 CD1 PHE A 43 -4.474 -6.205 2.568 1.00 0.00 C ATOM 585 CD2 PHE A 43 -5.562 -8.261 2.041 1.00 0.00 C ATOM 586 CE1 PHE A 43 -3.941 -6.776 3.707 1.00 0.00 C ATOM 587 CE2 PHE A 43 -5.031 -8.837 3.180 1.00 0.00 C ATOM 588 CZ PHE A 43 -4.221 -8.094 4.014 1.00 0.00 C ATOM 0 H PHE A 43 -5.678 -3.943 1.126 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.883 -5.677 -0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.779 -5.781 0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.151 -7.107 -0.213 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.253 -5.174 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.197 -8.847 1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.306 -6.193 4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.250 -9.868 3.417 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.807 -8.542 4.905 1.00 0.00 H new ATOM 598 N PRO A 44 -6.337 -4.865 -2.130 1.00 0.00 N ATOM 599 CA PRO A 44 -6.730 -4.810 -3.541 1.00 0.00 C ATOM 600 C PRO A 44 -5.908 -3.800 -4.333 1.00 0.00 C ATOM 601 O PRO A 44 -6.329 -3.336 -5.394 1.00 0.00 O ATOM 602 CB PRO A 44 -8.198 -4.379 -3.484 1.00 0.00 C ATOM 603 CG PRO A 44 -8.326 -3.642 -2.196 1.00 0.00 C ATOM 604 CD PRO A 44 -7.371 -4.305 -1.243 1.00 0.00 C ATOM 0 HA PRO A 44 -6.571 -5.763 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.457 -3.744 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.865 -5.240 -3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.081 -2.588 -2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -9.348 -3.688 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.950 -3.591 -0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.862 -5.082 -0.658 1.00 0.00 H new ATOM 612 N CYS A 45 -4.733 -3.463 -3.814 1.00 0.00 N ATOM 613 CA CYS A 45 -3.851 -2.507 -4.472 1.00 0.00 C ATOM 614 C CYS A 45 -2.444 -3.079 -4.621 1.00 0.00 C ATOM 615 O CYS A 45 -1.790 -2.887 -5.646 1.00 0.00 O ATOM 616 CB CYS A 45 -3.800 -1.199 -3.680 1.00 0.00 C ATOM 617 SG CYS A 45 -5.014 0.046 -4.223 1.00 0.00 S ATOM 0 H CYS A 45 -4.369 -3.838 -2.938 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.251 -2.307 -5.466 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.967 -1.418 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.799 -0.775 -3.763 1.00 0.00 H new ATOM 622 N SER A 46 -1.984 -3.782 -3.591 1.00 0.00 N ATOM 623 CA SER A 46 -0.654 -4.379 -3.605 1.00 0.00 C ATOM 624 C SER A 46 -0.599 -5.559 -4.570 1.00 0.00 C ATOM 625 O SER A 46 0.360 -5.712 -5.327 1.00 0.00 O ATOM 626 CB SER A 46 -0.262 -4.836 -2.199 1.00 0.00 C ATOM 627 OG SER A 46 0.402 -3.802 -1.493 1.00 0.00 O ATOM 0 H SER A 46 -2.513 -3.952 -2.736 1.00 0.00 H new ATOM 0 HA SER A 46 0.054 -3.622 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.153 -5.141 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.386 -5.710 -2.265 1.00 0.00 H new ATOM 0 HG SER A 46 -0.256 -3.263 -1.007 1.00 0.00 H new ATOM 633 N ARG A 47 -1.634 -6.391 -4.537 1.00 0.00 N ATOM 634 CA ARG A 47 -1.704 -7.559 -5.407 1.00 0.00 C ATOM 635 C ARG A 47 -1.345 -7.189 -6.844 1.00 0.00 C ATOM 636 O ARG A 47 -0.355 -7.675 -7.390 1.00 0.00 O ATOM 637 CB ARG A 47 -3.105 -8.172 -5.362 1.00 0.00 C ATOM 638 CG ARG A 47 -3.570 -8.526 -3.959 1.00 0.00 C ATOM 639 CD ARG A 47 -5.064 -8.806 -3.921 1.00 0.00 C ATOM 640 NE ARG A 47 -5.445 -9.872 -4.844 1.00 0.00 N ATOM 641 CZ ARG A 47 -6.670 -10.013 -5.338 1.00 0.00 C ATOM 642 NH1 ARG A 47 -7.627 -9.161 -5.001 1.00 0.00 N ATOM 643 NH2 ARG A 47 -6.939 -11.009 -6.173 1.00 0.00 N ATOM 0 H ARG A 47 -2.436 -6.278 -3.917 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.982 -8.292 -5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.813 -7.471 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.119 -9.071 -5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.026 -9.401 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.335 -7.707 -3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.355 -9.083 -2.908 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.610 -7.897 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.732 -10.545 -5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.424 -8.394 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.566 -9.272 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.205 -11.667 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.880 -11.117 -6.552 1.00 0.00 H new ATOM 657 N GLU A 48 -2.157 -6.328 -7.448 1.00 0.00 N ATOM 658 CA GLU A 48 -1.925 -5.895 -8.821 1.00 0.00 C ATOM 659 C GLU A 48 -0.442 -5.628 -9.064 1.00 0.00 C ATOM 660 O GLU A 48 0.053 -5.787 -10.180 1.00 0.00 O ATOM 661 CB GLU A 48 -2.738 -4.635 -9.126 1.00 0.00 C ATOM 662 CG GLU A 48 -4.201 -4.912 -9.428 1.00 0.00 C ATOM 663 CD GLU A 48 -4.434 -5.302 -10.875 1.00 0.00 C ATOM 664 OE1 GLU A 48 -3.879 -6.335 -11.307 1.00 0.00 O ATOM 665 OE2 GLU A 48 -5.170 -4.576 -11.575 1.00 0.00 O ATOM 0 H GLU A 48 -2.981 -5.917 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.246 -6.696 -9.487 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.674 -3.957 -8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.291 -4.122 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.557 -5.711 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.791 -4.025 -9.195 1.00 0.00 H new ATOM 672 N SER A 49 0.260 -5.221 -8.012 1.00 0.00 N ATOM 673 CA SER A 49 1.685 -4.928 -8.111 1.00 0.00 C ATOM 674 C SER A 49 2.515 -6.194 -7.918 1.00 0.00 C ATOM 675 O SER A 49 3.597 -6.333 -8.489 1.00 0.00 O ATOM 676 CB SER A 49 2.085 -3.880 -7.071 1.00 0.00 C ATOM 677 OG SER A 49 1.836 -2.568 -7.547 1.00 0.00 O ATOM 0 H SER A 49 -0.135 -5.087 -7.081 1.00 0.00 H new ATOM 0 HA SER A 49 1.881 -4.534 -9.108 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.529 -4.047 -6.149 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.142 -3.988 -6.829 1.00 0.00 H new ATOM 0 HG SER A 49 0.996 -2.236 -7.167 1.00 0.00 H new ATOM 683 N ILE A 50 1.999 -7.115 -7.110 1.00 0.00 N ATOM 684 CA ILE A 50 2.691 -8.369 -6.843 1.00 0.00 C ATOM 685 C ILE A 50 2.704 -9.264 -8.078 1.00 0.00 C ATOM 686 O ILE A 50 3.637 -10.039 -8.287 1.00 0.00 O ATOM 687 CB ILE A 50 2.040 -9.134 -5.676 1.00 0.00 C ATOM 688 CG1 ILE A 50 2.083 -8.292 -4.399 1.00 0.00 C ATOM 689 CG2 ILE A 50 2.738 -10.468 -5.461 1.00 0.00 C ATOM 690 CD1 ILE A 50 1.333 -8.912 -3.241 1.00 0.00 C ATOM 0 H ILE A 50 1.105 -7.016 -6.630 1.00 0.00 H new ATOM 0 HA ILE A 50 3.715 -8.112 -6.572 1.00 0.00 H new ATOM 0 HB ILE A 50 0.997 -9.329 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.123 -8.140 -4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.663 -7.308 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.266 -10.996 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.660 -11.070 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.789 -10.296 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.406 -8.261 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.285 -9.039 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.767 -9.884 -3.005 1.00 0.00 H new ATOM 702 N LYS A 51 1.662 -9.150 -8.895 1.00 0.00 N ATOM 703 CA LYS A 51 1.553 -9.946 -10.112 1.00 0.00 C ATOM 704 C LYS A 51 2.273 -9.266 -11.273 1.00 0.00 C ATOM 705 O LYS A 51 2.922 -9.925 -12.084 1.00 0.00 O ATOM 706 CB LYS A 51 0.082 -10.168 -10.470 1.00 0.00 C ATOM 707 CG LYS A 51 -0.744 -10.734 -9.328 1.00 0.00 C ATOM 708 CD LYS A 51 -1.893 -11.585 -9.839 1.00 0.00 C ATOM 709 CE LYS A 51 -3.123 -10.741 -10.138 1.00 0.00 C ATOM 710 NZ LYS A 51 -3.957 -10.525 -8.924 1.00 0.00 N ATOM 0 H LYS A 51 0.881 -8.514 -8.736 1.00 0.00 H new ATOM 0 HA LYS A 51 2.026 -10.911 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.353 -9.220 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.022 -10.846 -11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.106 -11.334 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.136 -9.917 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.584 -12.111 -10.742 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.143 -12.344 -9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.813 -9.777 -10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.721 -11.230 -10.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.785 -9.946 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.275 -11.443 -8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.395 -10.035 -8.199 1.00 0.00 H new ATOM 724 N ALA A 52 2.154 -7.944 -11.344 1.00 0.00 N ATOM 725 CA ALA A 52 2.796 -7.176 -12.403 1.00 0.00 C ATOM 726 C ALA A 52 4.314 -7.216 -12.267 1.00 0.00 C ATOM 727 O ALA A 52 5.025 -7.505 -13.229 1.00 0.00 O ATOM 728 CB ALA A 52 2.300 -5.738 -12.387 1.00 0.00 C ATOM 0 H ALA A 52 1.619 -7.383 -10.681 1.00 0.00 H new ATOM 0 HA ALA A 52 2.531 -7.629 -13.358 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.788 -5.176 -13.183 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.221 -5.724 -12.541 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.535 -5.283 -11.425 1.00 0.00 H new ATOM 734 N GLN A 53 4.804 -6.922 -11.067 1.00 0.00 N ATOM 735 CA GLN A 53 6.239 -6.923 -10.806 1.00 0.00 C ATOM 736 C GLN A 53 6.794 -8.343 -10.823 1.00 0.00 C ATOM 737 O GLN A 53 7.631 -8.683 -11.657 1.00 0.00 O ATOM 738 CB GLN A 53 6.534 -6.263 -9.458 1.00 0.00 C ATOM 739 CG GLN A 53 6.551 -4.744 -9.515 1.00 0.00 C ATOM 740 CD GLN A 53 6.579 -4.108 -8.139 1.00 0.00 C ATOM 741 OE1 GLN A 53 7.646 -3.808 -7.603 1.00 0.00 O ATOM 742 NE2 GLN A 53 5.403 -3.899 -7.559 1.00 0.00 N ATOM 0 H GLN A 53 4.229 -6.680 -10.260 1.00 0.00 H new ATOM 0 HA GLN A 53 6.727 -6.352 -11.596 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.784 -6.583 -8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.499 -6.615 -9.094 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.423 -4.415 -10.081 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.671 -4.395 -10.055 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.543 -4.163 -8.040 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.360 -3.474 -6.633 1.00 0.00 H new ATOM 751 N GLY A 54 6.321 -9.169 -9.894 1.00 0.00 N ATOM 752 CA GLY A 54 6.783 -10.543 -9.819 1.00 0.00 C ATOM 753 C GLY A 54 6.297 -11.251 -8.570 1.00 0.00 C ATOM 754 O GLY A 54 6.868 -11.085 -7.493 1.00 0.00 O ATOM 0 H GLY A 54 5.627 -8.911 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.439 -11.087 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.873 -10.558 -9.841 1.00 0.00 H new ATOM 758 N ALA A 55 5.238 -12.041 -8.713 1.00 0.00 N ATOM 759 CA ALA A 55 4.676 -12.776 -7.587 1.00 0.00 C ATOM 760 C ALA A 55 5.698 -13.740 -6.995 1.00 0.00 C ATOM 761 O ALA A 55 5.754 -13.934 -5.780 1.00 0.00 O ATOM 762 CB ALA A 55 3.427 -13.530 -8.020 1.00 0.00 C ATOM 0 H ALA A 55 4.752 -12.188 -9.598 1.00 0.00 H new ATOM 0 HA ALA A 55 4.404 -12.056 -6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.018 -14.075 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.685 -12.823 -8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.683 -14.234 -8.812 1.00 0.00 H new ATOM 768 N THR A 56 6.507 -14.343 -7.861 1.00 0.00 N ATOM 769 CA THR A 56 7.527 -15.287 -7.423 1.00 0.00 C ATOM 770 C THR A 56 8.792 -14.563 -6.975 1.00 0.00 C ATOM 771 O THR A 56 9.362 -14.878 -5.931 1.00 0.00 O ATOM 772 CB THR A 56 7.888 -16.282 -8.543 1.00 0.00 C ATOM 773 OG1 THR A 56 6.708 -16.946 -9.008 1.00 0.00 O ATOM 774 CG2 THR A 56 8.894 -17.311 -8.048 1.00 0.00 C ATOM 0 H THR A 56 6.475 -14.194 -8.870 1.00 0.00 H new ATOM 0 HA THR A 56 7.108 -15.836 -6.579 1.00 0.00 H new ATOM 0 HB THR A 56 8.337 -15.724 -9.364 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.946 -17.575 -9.721 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.134 -18.003 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.802 -16.804 -7.722 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.467 -17.864 -7.211 1.00 0.00 H new ATOM 782 N GLY A 57 9.225 -13.591 -7.771 1.00 0.00 N ATOM 783 CA GLY A 57 10.419 -12.836 -7.439 1.00 0.00 C ATOM 784 C GLY A 57 10.155 -11.755 -6.410 1.00 0.00 C ATOM 785 O GLY A 57 9.269 -11.896 -5.567 1.00 0.00 O ATOM 0 H GLY A 57 8.770 -13.313 -8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.181 -13.516 -7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.821 -12.381 -8.344 1.00 0.00 H new ATOM 789 N GLU A 58 10.925 -10.674 -6.478 1.00 0.00 N ATOM 790 CA GLU A 58 10.770 -9.567 -5.542 1.00 0.00 C ATOM 791 C GLU A 58 9.731 -8.570 -6.047 1.00 0.00 C ATOM 792 O GLU A 58 9.413 -8.536 -7.235 1.00 0.00 O ATOM 793 CB GLU A 58 12.110 -8.859 -5.328 1.00 0.00 C ATOM 794 CG GLU A 58 12.679 -8.239 -6.593 1.00 0.00 C ATOM 795 CD GLU A 58 14.183 -8.053 -6.526 1.00 0.00 C ATOM 796 OE1 GLU A 58 14.649 -7.310 -5.636 1.00 0.00 O ATOM 797 OE2 GLU A 58 14.893 -8.648 -7.363 1.00 0.00 O ATOM 0 H GLU A 58 11.662 -10.541 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 58 10.427 -9.974 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.984 -8.080 -4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.829 -9.574 -4.928 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.432 -8.871 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.204 -7.273 -6.765 1.00 0.00 H new ATOM 804 N VAL A 59 9.204 -7.759 -5.134 1.00 0.00 N ATOM 805 CA VAL A 59 8.202 -6.761 -5.485 1.00 0.00 C ATOM 806 C VAL A 59 8.408 -5.473 -4.696 1.00 0.00 C ATOM 807 O VAL A 59 8.293 -5.458 -3.470 1.00 0.00 O ATOM 808 CB VAL A 59 6.776 -7.284 -5.229 1.00 0.00 C ATOM 809 CG1 VAL A 59 5.745 -6.224 -5.588 1.00 0.00 C ATOM 810 CG2 VAL A 59 6.529 -8.565 -6.011 1.00 0.00 C ATOM 0 H VAL A 59 9.455 -7.774 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 59 8.320 -6.554 -6.549 1.00 0.00 H new ATOM 0 HB VAL A 59 6.677 -7.509 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.744 -6.612 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.910 -5.335 -4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.842 -5.964 -6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.517 -8.920 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.648 -8.369 -7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.245 -9.325 -5.700 1.00 0.00 H new ATOM 820 N TYR A 60 8.714 -4.393 -5.407 1.00 0.00 N ATOM 821 CA TYR A 60 8.939 -3.100 -4.773 1.00 0.00 C ATOM 822 C TYR A 60 7.628 -2.335 -4.616 1.00 0.00 C ATOM 823 O TYR A 60 6.579 -2.773 -5.088 1.00 0.00 O ATOM 824 CB TYR A 60 9.931 -2.272 -5.592 1.00 0.00 C ATOM 825 CG TYR A 60 11.358 -2.761 -5.489 1.00 0.00 C ATOM 826 CD1 TYR A 60 11.656 -4.116 -5.558 1.00 0.00 C ATOM 827 CD2 TYR A 60 12.408 -1.867 -5.321 1.00 0.00 C ATOM 828 CE1 TYR A 60 12.958 -4.567 -5.463 1.00 0.00 C ATOM 829 CE2 TYR A 60 13.714 -2.309 -5.226 1.00 0.00 C ATOM 830 CZ TYR A 60 13.983 -3.660 -5.298 1.00 0.00 C ATOM 831 OH TYR A 60 15.282 -4.104 -5.202 1.00 0.00 O ATOM 0 H TYR A 60 8.812 -4.388 -6.422 1.00 0.00 H new ATOM 0 HA TYR A 60 9.356 -3.278 -3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.626 -2.285 -6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.886 -1.235 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 60 10.856 -4.829 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.200 -0.809 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.172 -5.624 -5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 60 14.519 -1.601 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 60 15.304 -5.078 -5.309 1.00 0.00 H new ATOM 841 N CYS A 61 7.697 -1.187 -3.949 1.00 0.00 N ATOM 842 CA CYS A 61 6.518 -0.359 -3.729 1.00 0.00 C ATOM 843 C CYS A 61 5.555 -0.458 -4.908 1.00 0.00 C ATOM 844 O CYS A 61 5.951 -0.390 -6.072 1.00 0.00 O ATOM 845 CB CYS A 61 6.927 1.100 -3.511 1.00 0.00 C ATOM 846 SG CYS A 61 5.682 2.098 -2.632 1.00 0.00 S ATOM 0 H CYS A 61 8.557 -0.810 -3.552 1.00 0.00 H new ATOM 0 HA CYS A 61 6.010 -0.724 -2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.860 1.124 -2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.127 1.559 -4.479 1.00 0.00 H new ATOM 851 N PRO A 62 4.259 -0.622 -4.602 1.00 0.00 N ATOM 852 CA PRO A 62 3.213 -0.733 -5.623 1.00 0.00 C ATOM 853 C PRO A 62 2.974 0.583 -6.354 1.00 0.00 C ATOM 854 O PRO A 62 2.093 0.679 -7.208 1.00 0.00 O ATOM 855 CB PRO A 62 1.973 -1.130 -4.817 1.00 0.00 C ATOM 856 CG PRO A 62 2.231 -0.611 -3.445 1.00 0.00 C ATOM 857 CD PRO A 62 3.717 -0.711 -3.236 1.00 0.00 C ATOM 0 HA PRO A 62 3.479 -1.446 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.069 -0.694 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.834 -2.211 -4.812 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.892 0.420 -3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.692 -1.195 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.089 0.094 -2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.993 -1.649 -2.754 1.00 0.00 H new ATOM 865 N SER A 63 3.766 1.596 -6.014 1.00 0.00 N ATOM 866 CA SER A 63 3.638 2.908 -6.637 1.00 0.00 C ATOM 867 C SER A 63 4.604 3.050 -7.809 1.00 0.00 C ATOM 868 O SER A 63 4.327 3.760 -8.774 1.00 0.00 O ATOM 869 CB SER A 63 3.899 4.011 -5.610 1.00 0.00 C ATOM 870 OG SER A 63 5.288 4.191 -5.396 1.00 0.00 O ATOM 0 H SER A 63 4.502 1.533 -5.311 1.00 0.00 H new ATOM 0 HA SER A 63 2.620 3.006 -7.014 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.457 4.946 -5.955 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.413 3.757 -4.668 1.00 0.00 H new ATOM 0 HG SER A 63 5.573 3.655 -4.627 1.00 0.00 H new ATOM 876 N GLY A 64 5.742 2.367 -7.716 1.00 0.00 N ATOM 877 CA GLY A 64 6.733 2.429 -8.774 1.00 0.00 C ATOM 878 C GLY A 64 7.839 3.421 -8.474 1.00 0.00 C ATOM 879 O GLY A 64 8.416 4.011 -9.386 1.00 0.00 O ATOM 0 H GLY A 64 5.994 1.772 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.166 1.440 -8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.245 2.705 -9.709 1.00 0.00 H new ATOM 883 N GLU A 65 8.135 3.605 -7.191 1.00 0.00 N ATOM 884 CA GLU A 65 9.178 4.534 -6.774 1.00 0.00 C ATOM 885 C GLU A 65 10.344 3.790 -6.128 1.00 0.00 C ATOM 886 O GLU A 65 11.447 4.324 -6.009 1.00 0.00 O ATOM 887 CB GLU A 65 8.612 5.565 -5.795 1.00 0.00 C ATOM 888 CG GLU A 65 7.519 6.435 -6.392 1.00 0.00 C ATOM 889 CD GLU A 65 7.931 7.070 -7.707 1.00 0.00 C ATOM 890 OE1 GLU A 65 9.100 7.492 -7.822 1.00 0.00 O ATOM 891 OE2 GLU A 65 7.083 7.143 -8.620 1.00 0.00 O ATOM 0 H GLU A 65 7.667 3.123 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 65 9.545 5.049 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.215 5.046 -4.923 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.423 6.204 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.625 5.832 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.255 7.218 -5.682 1.00 0.00 H new ATOM 898 N LYS A 66 10.091 2.554 -5.713 1.00 0.00 N ATOM 899 CA LYS A 66 11.117 1.734 -5.080 1.00 0.00 C ATOM 900 C LYS A 66 11.585 2.362 -3.771 1.00 0.00 C ATOM 901 O LYS A 66 12.785 2.504 -3.533 1.00 0.00 O ATOM 902 CB LYS A 66 12.307 1.551 -6.024 1.00 0.00 C ATOM 903 CG LYS A 66 11.950 0.852 -7.325 1.00 0.00 C ATOM 904 CD LYS A 66 13.057 0.993 -8.356 1.00 0.00 C ATOM 905 CE LYS A 66 14.304 0.226 -7.943 1.00 0.00 C ATOM 906 NZ LYS A 66 15.418 0.414 -8.914 1.00 0.00 N ATOM 0 H LYS A 66 9.183 2.098 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 66 10.682 0.759 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.733 2.528 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.080 0.977 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.764 -0.204 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.026 1.271 -7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.706 0.627 -9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.303 2.047 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.624 0.557 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.068 -0.835 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.249 -0.124 -8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.122 0.074 -9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.661 1.424 -8.972 1.00 0.00 H new ATOM 920 N CYS A 67 10.631 2.736 -2.925 1.00 0.00 N ATOM 921 CA CYS A 67 10.944 3.348 -1.640 1.00 0.00 C ATOM 922 C CYS A 67 11.706 2.375 -0.745 1.00 0.00 C ATOM 923 O CYS A 67 11.258 1.260 -0.475 1.00 0.00 O ATOM 924 CB CYS A 67 9.661 3.803 -0.941 1.00 0.00 C ATOM 925 SG CYS A 67 8.398 4.473 -2.069 1.00 0.00 S ATOM 0 H CYS A 67 9.633 2.626 -3.107 1.00 0.00 H new ATOM 0 HA CYS A 67 11.577 4.216 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.237 2.959 -0.398 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.913 4.563 -0.202 1.00 0.00 H new ATOM 930 N PRO A 68 12.886 2.804 -0.273 1.00 0.00 N ATOM 931 CA PRO A 68 13.735 1.987 0.599 1.00 0.00 C ATOM 932 C PRO A 68 13.133 1.806 1.989 1.00 0.00 C ATOM 933 O PRO A 68 12.358 2.641 2.455 1.00 0.00 O ATOM 934 CB PRO A 68 15.036 2.789 0.680 1.00 0.00 C ATOM 935 CG PRO A 68 14.630 4.198 0.414 1.00 0.00 C ATOM 936 CD PRO A 68 13.481 4.122 -0.553 1.00 0.00 C ATOM 0 HA PRO A 68 13.865 0.977 0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.502 2.690 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 68 15.762 2.441 -0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 68 14.332 4.699 1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 68 15.457 4.770 -0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.766 4.928 -0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 68 13.820 4.199 -1.586 1.00 0.00 H new ATOM 944 N LEU A 69 13.496 0.710 2.647 1.00 0.00 N ATOM 945 CA LEU A 69 12.993 0.419 3.985 1.00 0.00 C ATOM 946 C LEU A 69 13.411 1.505 4.972 1.00 0.00 C ATOM 947 O LEU A 69 14.528 2.019 4.909 1.00 0.00 O ATOM 948 CB LEU A 69 13.505 -0.942 4.459 1.00 0.00 C ATOM 949 CG LEU A 69 12.623 -2.145 4.123 1.00 0.00 C ATOM 950 CD1 LEU A 69 13.471 -3.394 3.942 1.00 0.00 C ATOM 951 CD2 LEU A 69 11.579 -2.360 5.209 1.00 0.00 C ATOM 0 H LEU A 69 14.137 0.009 2.276 1.00 0.00 H new ATOM 0 HA LEU A 69 11.904 0.395 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.491 -1.108 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.634 -0.903 5.541 1.00 0.00 H new ATOM 0 HG LEU A 69 12.106 -1.942 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.826 -4.240 3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.180 -3.238 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.015 -3.601 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.960 -3.220 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.077 -2.541 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.951 -1.473 5.291 1.00 0.00 H new ATOM 963 N VAL A 70 12.507 1.847 5.884 1.00 0.00 N ATOM 964 CA VAL A 70 12.782 2.869 6.887 1.00 0.00 C ATOM 965 C VAL A 70 14.140 2.643 7.543 1.00 0.00 C ATOM 966 O VAL A 70 14.369 1.617 8.181 1.00 0.00 O ATOM 967 CB VAL A 70 11.695 2.893 7.977 1.00 0.00 C ATOM 968 CG1 VAL A 70 11.720 1.604 8.785 1.00 0.00 C ATOM 969 CG2 VAL A 70 11.875 4.102 8.882 1.00 0.00 C ATOM 0 H VAL A 70 11.578 1.431 5.949 1.00 0.00 H new ATOM 0 HA VAL A 70 12.787 3.828 6.369 1.00 0.00 H new ATOM 0 HB VAL A 70 10.722 2.972 7.493 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.945 1.639 9.551 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.539 0.757 8.124 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.694 1.491 9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.098 4.103 9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.854 4.057 9.359 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.802 5.014 8.290 1.00 0.00 H new ATOM 979 N GLY A 71 15.038 3.611 7.381 1.00 0.00 N ATOM 980 CA GLY A 71 16.362 3.499 7.964 1.00 0.00 C ATOM 981 C GLY A 71 17.269 2.581 7.169 1.00 0.00 C ATOM 982 O GLY A 71 18.436 2.898 6.938 1.00 0.00 O ATOM 0 H GLY A 71 14.872 4.470 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.814 4.489 8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 71 16.276 3.125 8.984 1.00 0.00 H new ATOM 986 N SER A 72 16.733 1.439 6.751 1.00 0.00 N ATOM 987 CA SER A 72 17.504 0.469 5.982 1.00 0.00 C ATOM 988 C SER A 72 17.661 0.924 4.534 1.00 0.00 C ATOM 989 O SER A 72 16.766 1.550 3.969 1.00 0.00 O ATOM 990 CB SER A 72 16.828 -0.903 6.026 1.00 0.00 C ATOM 991 OG SER A 72 17.170 -1.602 7.211 1.00 0.00 O ATOM 0 H SER A 72 15.768 1.163 6.932 1.00 0.00 H new ATOM 0 HA SER A 72 18.495 0.393 6.431 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.746 -0.781 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.127 -1.487 5.156 1.00 0.00 H new ATOM 0 HG SER A 72 16.724 -2.475 7.216 1.00 0.00 H new ATOM 997 N ASN A 73 18.807 0.605 3.941 1.00 0.00 N ATOM 998 CA ASN A 73 19.083 0.981 2.559 1.00 0.00 C ATOM 999 C ASN A 73 18.682 -0.136 1.601 1.00 0.00 C ATOM 1000 O ASN A 73 19.344 -0.369 0.590 1.00 0.00 O ATOM 1001 CB ASN A 73 20.567 1.309 2.385 1.00 0.00 C ATOM 1002 CG ASN A 73 21.041 2.377 3.352 1.00 0.00 C ATOM 1003 OD1 ASN A 73 21.672 2.077 4.366 1.00 0.00 O ATOM 1004 ND2 ASN A 73 20.738 3.632 3.041 1.00 0.00 N ATOM 0 H ASN A 73 19.559 0.087 4.396 1.00 0.00 H new ATOM 0 HA ASN A 73 18.492 1.866 2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 73 21.156 0.403 2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 73 20.745 1.643 1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.030 4.394 3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 73 20.213 3.834 2.190 1.00 0.00 H new ATOM 1011 N VAL A 74 17.591 -0.823 1.925 1.00 0.00 N ATOM 1012 CA VAL A 74 17.099 -1.914 1.093 1.00 0.00 C ATOM 1013 C VAL A 74 15.586 -1.840 0.926 1.00 0.00 C ATOM 1014 O VAL A 74 14.846 -1.550 1.867 1.00 0.00 O ATOM 1015 CB VAL A 74 17.472 -3.286 1.687 1.00 0.00 C ATOM 1016 CG1 VAL A 74 16.879 -4.409 0.851 1.00 0.00 C ATOM 1017 CG2 VAL A 74 18.983 -3.428 1.790 1.00 0.00 C ATOM 0 H VAL A 74 17.031 -0.643 2.758 1.00 0.00 H new ATOM 0 HA VAL A 74 17.575 -1.807 0.118 1.00 0.00 H new ATOM 0 HB VAL A 74 17.054 -3.354 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 74 17.153 -5.370 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 74 15.793 -4.315 0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 74 17.265 -4.348 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 74 19.229 -4.403 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 74 19.425 -3.340 0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.379 -2.643 2.435 1.00 0.00 H new ATOM 1027 N PRO A 75 15.112 -2.107 -0.300 1.00 0.00 N ATOM 1028 CA PRO A 75 13.681 -2.077 -0.619 1.00 0.00 C ATOM 1029 C PRO A 75 12.918 -3.225 0.033 1.00 0.00 C ATOM 1030 O PRO A 75 13.436 -4.335 0.159 1.00 0.00 O ATOM 1031 CB PRO A 75 13.655 -2.216 -2.144 1.00 0.00 C ATOM 1032 CG PRO A 75 14.924 -2.919 -2.482 1.00 0.00 C ATOM 1033 CD PRO A 75 15.935 -2.459 -1.469 1.00 0.00 C ATOM 0 HA PRO A 75 13.200 -1.171 -0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.787 -2.786 -2.475 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.601 -1.242 -2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.794 -4.000 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.247 -2.676 -3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.653 -3.244 -1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.506 -1.604 -1.831 1.00 0.00 H new ATOM 1041 N TRP A 76 11.685 -2.951 0.445 1.00 0.00 N ATOM 1042 CA TRP A 76 10.851 -3.962 1.084 1.00 0.00 C ATOM 1043 C TRP A 76 10.118 -4.800 0.043 1.00 0.00 C ATOM 1044 O TRP A 76 9.162 -4.337 -0.579 1.00 0.00 O ATOM 1045 CB TRP A 76 9.843 -3.300 2.025 1.00 0.00 C ATOM 1046 CG TRP A 76 9.224 -2.059 1.456 1.00 0.00 C ATOM 1047 CD1 TRP A 76 9.763 -0.804 1.448 1.00 0.00 C ATOM 1048 CD2 TRP A 76 7.949 -1.955 0.813 1.00 0.00 C ATOM 1049 NE1 TRP A 76 8.899 0.074 0.839 1.00 0.00 N ATOM 1050 CE2 TRP A 76 7.780 -0.607 0.440 1.00 0.00 C ATOM 1051 CE3 TRP A 76 6.935 -2.869 0.514 1.00 0.00 C ATOM 1052 CZ2 TRP A 76 6.637 -0.154 -0.215 1.00 0.00 C ATOM 1053 CZ3 TRP A 76 5.802 -2.418 -0.135 1.00 0.00 C ATOM 1054 CH2 TRP A 76 5.660 -1.071 -0.494 1.00 0.00 C ATOM 0 H TRP A 76 11.241 -2.038 0.348 1.00 0.00 H new ATOM 0 HA TRP A 76 11.500 -4.620 1.662 1.00 0.00 H new ATOM 0 HB2 TRP A 76 9.055 -4.015 2.262 1.00 0.00 H new ATOM 0 HB3 TRP A 76 10.341 -3.052 2.962 1.00 0.00 H new ATOM 0 HD1 TRP A 76 10.726 -0.541 1.860 1.00 0.00 H new ATOM 0 HE1 TRP A 76 9.064 1.072 0.706 1.00 0.00 H new ATOM 0 HE3 TRP A 76 7.035 -3.909 0.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 6.526 0.884 -0.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 5.012 -3.116 -0.370 1.00 0.00 H new ATOM 0 HH2 TRP A 76 4.762 -0.750 -1.001 1.00 0.00 H new ATOM 1065 N ALA A 77 10.572 -6.035 -0.143 1.00 0.00 N ATOM 1066 CA ALA A 77 9.957 -6.938 -1.108 1.00 0.00 C ATOM 1067 C ALA A 77 8.988 -7.897 -0.423 1.00 0.00 C ATOM 1068 O ALA A 77 9.398 -8.761 0.352 1.00 0.00 O ATOM 1069 CB ALA A 77 11.027 -7.715 -1.860 1.00 0.00 C ATOM 0 H ALA A 77 11.364 -6.433 0.362 1.00 0.00 H new ATOM 0 HA ALA A 77 9.391 -6.338 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.553 -8.385 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.678 -7.019 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.617 -8.298 -1.153 1.00 0.00 H new ATOM 1075 N PHE A 78 7.701 -7.737 -0.713 1.00 0.00 N ATOM 1076 CA PHE A 78 6.674 -8.588 -0.123 1.00 0.00 C ATOM 1077 C PHE A 78 7.199 -10.003 0.096 1.00 0.00 C ATOM 1078 O PHE A 78 7.510 -10.716 -0.858 1.00 0.00 O ATOM 1079 CB PHE A 78 5.435 -8.624 -1.021 1.00 0.00 C ATOM 1080 CG PHE A 78 4.620 -7.364 -0.969 1.00 0.00 C ATOM 1081 CD1 PHE A 78 3.798 -7.099 0.115 1.00 0.00 C ATOM 1082 CD2 PHE A 78 4.674 -6.445 -2.003 1.00 0.00 C ATOM 1083 CE1 PHE A 78 3.046 -5.941 0.165 1.00 0.00 C ATOM 1084 CE2 PHE A 78 3.925 -5.284 -1.959 1.00 0.00 C ATOM 1085 CZ PHE A 78 3.110 -5.032 -0.873 1.00 0.00 C ATOM 0 H PHE A 78 7.345 -7.027 -1.352 1.00 0.00 H new ATOM 0 HA PHE A 78 6.401 -8.168 0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.747 -8.803 -2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.808 -9.465 -0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.745 -7.806 0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.309 -6.638 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.409 -5.747 1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.977 -4.575 -2.772 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.524 -4.126 -0.835 1.00 0.00 H new ATOM 1095 N MET A 79 7.296 -10.403 1.360 1.00 0.00 N ATOM 1096 CA MET A 79 7.784 -11.733 1.705 1.00 0.00 C ATOM 1097 C MET A 79 6.863 -12.812 1.143 1.00 0.00 C ATOM 1098 O MET A 79 5.643 -12.734 1.284 1.00 0.00 O ATOM 1099 CB MET A 79 7.894 -11.882 3.224 1.00 0.00 C ATOM 1100 CG MET A 79 9.024 -12.798 3.664 1.00 0.00 C ATOM 1101 SD MET A 79 8.496 -14.513 3.847 1.00 0.00 S ATOM 1102 CE MET A 79 7.704 -14.454 5.452 1.00 0.00 C ATOM 0 H MET A 79 7.043 -9.825 2.162 1.00 0.00 H new ATOM 0 HA MET A 79 8.773 -11.856 1.263 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.042 -10.897 3.668 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.952 -12.269 3.612 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.833 -12.747 2.935 1.00 0.00 H new ATOM 0 HG3 MET A 79 9.426 -12.442 4.613 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.324 -15.443 5.707 1.00 0.00 H new ATOM 0 HE2 MET A 79 8.428 -14.138 6.203 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.877 -13.744 5.424 1.00 0.00 H new ATOM 1112 N GLN A 80 7.456 -13.817 0.505 1.00 0.00 N ATOM 1113 CA GLN A 80 6.688 -14.910 -0.078 1.00 0.00 C ATOM 1114 C GLN A 80 5.442 -15.203 0.751 1.00 0.00 C ATOM 1115 O GLN A 80 4.368 -15.457 0.208 1.00 0.00 O ATOM 1116 CB GLN A 80 7.551 -16.168 -0.186 1.00 0.00 C ATOM 1117 CG GLN A 80 8.305 -16.278 -1.501 1.00 0.00 C ATOM 1118 CD GLN A 80 7.382 -16.452 -2.690 1.00 0.00 C ATOM 1119 OE1 GLN A 80 6.480 -17.289 -2.673 1.00 0.00 O ATOM 1120 NE2 GLN A 80 7.602 -15.658 -3.732 1.00 0.00 N ATOM 0 H GLN A 80 8.465 -13.896 0.379 1.00 0.00 H new ATOM 0 HA GLN A 80 6.374 -14.607 -1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.267 -16.179 0.636 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.916 -17.046 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.911 -15.383 -1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.992 -17.123 -1.452 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.361 -14.978 -3.703 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.011 -15.729 -4.561 1.00 0.00 H new ATOM 1129 N GLY A 81 5.594 -15.167 2.072 1.00 0.00 N ATOM 1130 CA GLY A 81 4.473 -15.432 2.955 1.00 0.00 C ATOM 1131 C GLY A 81 3.292 -14.521 2.682 1.00 0.00 C ATOM 1132 O GLY A 81 2.210 -14.987 2.329 1.00 0.00 O ATOM 0 H GLY A 81 6.473 -14.959 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.161 -16.470 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.792 -15.308 3.990 1.00 0.00 H new ATOM 1136 N GLU A 82 3.501 -13.218 2.848 1.00 0.00 N ATOM 1137 CA GLU A 82 2.444 -12.240 2.620 1.00 0.00 C ATOM 1138 C GLU A 82 1.990 -12.260 1.163 1.00 0.00 C ATOM 1139 O GLU A 82 0.793 -12.281 0.875 1.00 0.00 O ATOM 1140 CB GLU A 82 2.926 -10.838 2.997 1.00 0.00 C ATOM 1141 CG GLU A 82 1.818 -9.930 3.503 1.00 0.00 C ATOM 1142 CD GLU A 82 1.642 -10.007 5.007 1.00 0.00 C ATOM 1143 OE1 GLU A 82 1.534 -11.133 5.536 1.00 0.00 O ATOM 1144 OE2 GLU A 82 1.613 -8.940 5.656 1.00 0.00 O ATOM 0 H GLU A 82 4.392 -12.816 3.139 1.00 0.00 H new ATOM 0 HA GLU A 82 1.596 -12.506 3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.695 -10.921 3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.393 -10.377 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.038 -8.901 3.219 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.881 -10.201 3.017 1.00 0.00 H new ATOM 1151 N ILE A 83 2.955 -12.252 0.249 1.00 0.00 N ATOM 1152 CA ILE A 83 2.655 -12.270 -1.177 1.00 0.00 C ATOM 1153 C ILE A 83 1.431 -13.130 -1.472 1.00 0.00 C ATOM 1154 O ILE A 83 0.636 -12.816 -2.357 1.00 0.00 O ATOM 1155 CB ILE A 83 3.848 -12.796 -1.997 1.00 0.00 C ATOM 1156 CG1 ILE A 83 5.052 -11.865 -1.841 1.00 0.00 C ATOM 1157 CG2 ILE A 83 3.464 -12.933 -3.463 1.00 0.00 C ATOM 1158 CD1 ILE A 83 6.254 -12.290 -2.656 1.00 0.00 C ATOM 0 H ILE A 83 3.950 -12.233 0.471 1.00 0.00 H new ATOM 0 HA ILE A 83 2.450 -11.240 -1.468 1.00 0.00 H new ATOM 0 HB ILE A 83 4.123 -13.781 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.762 -10.856 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.333 -11.821 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.317 -13.306 -4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.633 -13.632 -3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.166 -11.960 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.069 -11.585 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.570 -13.286 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.989 -12.306 -3.713 1.00 0.00 H new ATOM 1170 N ALA A 84 1.285 -14.218 -0.722 1.00 0.00 N ATOM 1171 CA ALA A 84 0.156 -15.123 -0.899 1.00 0.00 C ATOM 1172 C ALA A 84 -1.020 -14.711 -0.020 1.00 0.00 C ATOM 1173 O ALA A 84 -2.172 -14.732 -0.455 1.00 0.00 O ATOM 1174 CB ALA A 84 0.573 -16.553 -0.591 1.00 0.00 C ATOM 0 H ALA A 84 1.935 -14.494 0.014 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.165 -15.066 -1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.280 -17.218 -0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.377 -16.851 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.921 -16.616 0.440 1.00 0.00 H new ATOM 1180 N THR A 85 -0.723 -14.338 1.221 1.00 0.00 N ATOM 1181 CA THR A 85 -1.756 -13.924 2.162 1.00 0.00 C ATOM 1182 C THR A 85 -2.628 -12.821 1.572 1.00 0.00 C ATOM 1183 O THR A 85 -3.853 -12.855 1.691 1.00 0.00 O ATOM 1184 CB THR A 85 -1.144 -13.426 3.485 1.00 0.00 C ATOM 1185 OG1 THR A 85 -0.542 -14.518 4.188 1.00 0.00 O ATOM 1186 CG2 THR A 85 -2.204 -12.776 4.361 1.00 0.00 C ATOM 0 H THR A 85 0.225 -14.314 1.598 1.00 0.00 H new ATOM 0 HA THR A 85 -2.371 -14.802 2.362 1.00 0.00 H new ATOM 0 HB THR A 85 -0.383 -12.682 3.250 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.154 -14.193 5.027 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.748 -12.432 5.289 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.640 -11.927 3.835 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.985 -13.502 4.587 1.00 0.00 H new ATOM 1194 N ILE A 86 -1.989 -11.846 0.935 1.00 0.00 N ATOM 1195 CA ILE A 86 -2.707 -10.734 0.325 1.00 0.00 C ATOM 1196 C ILE A 86 -3.453 -11.183 -0.927 1.00 0.00 C ATOM 1197 O ILE A 86 -4.672 -11.036 -1.023 1.00 0.00 O ATOM 1198 CB ILE A 86 -1.754 -9.582 -0.045 1.00 0.00 C ATOM 1199 CG1 ILE A 86 -1.076 -9.030 1.211 1.00 0.00 C ATOM 1200 CG2 ILE A 86 -2.510 -8.482 -0.773 1.00 0.00 C ATOM 1201 CD1 ILE A 86 0.042 -8.056 0.915 1.00 0.00 C ATOM 0 H ILE A 86 -0.976 -11.803 0.828 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.424 -10.378 1.065 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.983 -9.967 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.824 -8.535 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.679 -9.861 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.823 -7.675 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.950 -8.885 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.300 -8.096 -0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.477 -7.706 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.810 -8.553 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.353 -7.206 0.358 1.00 0.00 H new ATOM 1213 N LEU A 87 -2.714 -11.732 -1.885 1.00 0.00 N ATOM 1214 CA LEU A 87 -3.305 -12.205 -3.131 1.00 0.00 C ATOM 1215 C LEU A 87 -4.625 -12.924 -2.870 1.00 0.00 C ATOM 1216 O LEU A 87 -5.604 -12.727 -3.591 1.00 0.00 O ATOM 1217 CB LEU A 87 -2.336 -13.142 -3.855 1.00 0.00 C ATOM 1218 CG LEU A 87 -1.232 -12.467 -4.669 1.00 0.00 C ATOM 1219 CD1 LEU A 87 -0.208 -13.492 -5.132 1.00 0.00 C ATOM 1220 CD2 LEU A 87 -1.823 -11.726 -5.859 1.00 0.00 C ATOM 0 H LEU A 87 -1.704 -11.860 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.503 -11.338 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.869 -13.791 -3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.912 -13.783 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.728 -11.742 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.570 -12.993 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.239 -13.977 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.698 -14.241 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.022 -11.252 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.354 -12.431 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.517 -10.964 -5.505 1.00 0.00 H new ATOM 1232 N SER A 88 -4.645 -13.755 -1.834 1.00 0.00 N ATOM 1233 CA SER A 88 -5.845 -14.504 -1.478 1.00 0.00 C ATOM 1234 C SER A 88 -6.764 -13.669 -0.592 1.00 0.00 C ATOM 1235 O SER A 88 -7.942 -13.487 -0.897 1.00 0.00 O ATOM 1236 CB SER A 88 -5.468 -15.802 -0.760 1.00 0.00 C ATOM 1237 OG SER A 88 -6.620 -16.473 -0.280 1.00 0.00 O ATOM 0 H SER A 88 -3.844 -13.927 -1.226 1.00 0.00 H new ATOM 0 HA SER A 88 -6.377 -14.747 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.922 -16.453 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.800 -15.580 0.072 1.00 0.00 H new ATOM 0 HG SER A 88 -6.352 -17.300 0.173 1.00 0.00 H new ATOM 1243 N GLY A 89 -6.216 -13.163 0.508 1.00 0.00 N ATOM 1244 CA GLY A 89 -6.999 -12.352 1.422 1.00 0.00 C ATOM 1245 C GLY A 89 -7.061 -12.946 2.816 1.00 0.00 C ATOM 1246 O GLY A 89 -6.428 -13.960 3.110 1.00 0.00 O ATOM 0 H GLY A 89 -5.243 -13.300 0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.569 -11.352 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.011 -12.243 1.031 1.00 0.00 H new ATOM 1250 N PRO A 90 -7.838 -12.306 3.702 1.00 0.00 N ATOM 1251 CA PRO A 90 -7.997 -12.758 5.087 1.00 0.00 C ATOM 1252 C PRO A 90 -8.788 -14.058 5.185 1.00 0.00 C ATOM 1253 O PRO A 90 -8.724 -14.761 6.194 1.00 0.00 O ATOM 1254 CB PRO A 90 -8.767 -11.612 5.748 1.00 0.00 C ATOM 1255 CG PRO A 90 -9.502 -10.955 4.631 1.00 0.00 C ATOM 1256 CD PRO A 90 -8.621 -11.091 3.420 1.00 0.00 C ATOM 0 HA PRO A 90 -7.038 -12.973 5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -9.453 -11.983 6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.091 -10.914 6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.468 -11.431 4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.698 -9.907 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.207 -11.194 2.507 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.979 -10.220 3.291 1.00 0.00 H new ATOM 1264 N SER A 91 -9.534 -14.372 4.131 1.00 0.00 N ATOM 1265 CA SER A 91 -10.341 -15.587 4.100 1.00 0.00 C ATOM 1266 C SER A 91 -9.690 -16.648 3.218 1.00 0.00 C ATOM 1267 O SER A 91 -9.364 -16.394 2.059 1.00 0.00 O ATOM 1268 CB SER A 91 -11.749 -15.276 3.588 1.00 0.00 C ATOM 1269 OG SER A 91 -12.647 -16.329 3.895 1.00 0.00 O ATOM 0 H SER A 91 -9.597 -13.802 3.287 1.00 0.00 H new ATOM 0 HA SER A 91 -10.409 -15.975 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.105 -14.348 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.721 -15.120 2.510 1.00 0.00 H new ATOM 0 HG SER A 91 -13.540 -16.106 3.559 1.00 0.00 H new ATOM 1275 N SER A 92 -9.505 -17.840 3.777 1.00 0.00 N ATOM 1276 CA SER A 92 -8.890 -18.941 3.044 1.00 0.00 C ATOM 1277 C SER A 92 -9.852 -20.119 2.926 1.00 0.00 C ATOM 1278 O SER A 92 -9.880 -21.001 3.783 1.00 0.00 O ATOM 1279 CB SER A 92 -7.602 -19.387 3.739 1.00 0.00 C ATOM 1280 OG SER A 92 -6.620 -18.366 3.697 1.00 0.00 O ATOM 0 H SER A 92 -9.772 -18.068 4.735 1.00 0.00 H new ATOM 0 HA SER A 92 -8.650 -18.589 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.816 -19.648 4.776 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.217 -20.286 3.257 1.00 0.00 H new ATOM 0 HG SER A 92 -5.807 -18.675 4.149 1.00 0.00 H new ATOM 1286 N GLY A 93 -10.641 -20.126 1.855 1.00 0.00 N ATOM 1287 CA GLY A 93 -11.594 -21.199 1.643 1.00 0.00 C ATOM 1288 C GLY A 93 -11.331 -21.962 0.360 1.00 0.00 C ATOM 1289 O GLY A 93 -11.671 -21.466 -0.713 1.00 0.00 O ATOM 0 H GLY A 93 -10.637 -19.408 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.554 -21.888 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.602 -20.786 1.616 1.00 0.00 H new TER 1293 GLY A 93 HETATM 1294 ZN ZN A 200 -6.483 1.004 -2.695 1.00 0.00 ZN HETATM 1295 ZN ZN A 400 6.361 3.783 -1.163 1.00 0.00 ZN