USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 120:sc= -0.625 USER MOD Single : A 12 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.053) USER MOD Single : A 16 ASN : amide:sc= -0.295 K(o=-0.29,f=-3.9!) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -0.123 (180deg=-0.74) USER MOD Single : A 19 THR OG1 : rot -139:sc= -0.638 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0778 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0976) USER MOD Single : A 33 THR OG1 : rot -82:sc= -1.94! USER MOD Single : A 46 ASN : amide:sc= -0.934 X(o=-0.93,f=-0.83) USER MOD Single : A 50 ASN : amide:sc= -1.81! K(o=-1.8!,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -4.91 K(o=-4.9,f=-2.2) USER MOD Single : A 58 LYS NZ :NH3+ 146:sc= -4.37! (180deg=-6.54!) USER MOD Single : A 59 LYS NZ :NH3+ 148:sc= -0.171 (180deg=-1.98!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -105:sc= 1.35 USER MOD Single : A 72 THR OG1 : rot -120:sc= -1.72 USER MOD Single : A 76 GLN : amide:sc= -1.6 K(o=-1.6,f=-4!) USER MOD Single : A 80 SER OG : rot 98:sc= 1.1 USER MOD Single : A 81 ASN : amide:sc=-0.000917 X(o=-0.00092,f=0) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 100.737 114.023 -41.397 1.00 0.00 N ATOM 54 CA VAL A 4 101.948 113.722 -40.643 1.00 0.00 C ATOM 55 C VAL A 4 102.844 114.960 -40.432 1.00 0.00 C ATOM 56 O VAL A 4 103.438 115.135 -39.377 1.00 0.00 O ATOM 57 CB VAL A 4 102.745 112.643 -41.369 1.00 0.00 C ATOM 58 CG1 VAL A 4 101.915 111.374 -41.575 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.303 113.160 -42.691 1.00 0.00 C ATOM 0 HA VAL A 4 101.634 113.375 -39.658 1.00 0.00 H new ATOM 0 HB VAL A 4 103.591 112.380 -40.733 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.515 110.627 -42.095 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.605 110.981 -40.607 1.00 0.00 H new ATOM 0 HG13 VAL A 4 101.032 111.609 -42.170 1.00 0.00 H new ATOM 0 HG21 VAL A 4 103.866 112.367 -43.183 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.481 113.475 -43.334 1.00 0.00 H new ATOM 0 HG23 VAL A 4 103.961 114.008 -42.501 1.00 0.00 H new ATOM 69 N THR A 5 102.922 115.802 -41.476 1.00 0.00 N ATOM 70 CA THR A 5 103.731 117.006 -41.359 1.00 0.00 C ATOM 71 C THR A 5 103.264 117.902 -40.185 1.00 0.00 C ATOM 72 O THR A 5 104.074 118.493 -39.483 1.00 0.00 O ATOM 73 CB THR A 5 103.579 117.791 -42.670 1.00 0.00 C ATOM 74 OG1 THR A 5 103.929 117.018 -43.802 1.00 0.00 O ATOM 75 CG2 THR A 5 104.281 119.153 -42.623 1.00 0.00 C ATOM 0 H THR A 5 102.452 115.673 -42.372 1.00 0.00 H new ATOM 0 HA THR A 5 104.766 116.722 -41.168 1.00 0.00 H new ATOM 0 HB THR A 5 102.518 118.014 -42.781 1.00 0.00 H new ATOM 0 HG1 THR A 5 103.816 117.556 -44.613 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.143 119.667 -43.574 1.00 0.00 H new ATOM 0 HG22 THR A 5 103.854 119.755 -41.820 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.346 119.007 -42.441 1.00 0.00 H new ATOM 83 N TYR A 6 101.929 117.970 -40.020 1.00 0.00 N ATOM 84 CA TYR A 6 101.378 118.628 -38.843 1.00 0.00 C ATOM 85 C TYR A 6 101.754 117.893 -37.541 1.00 0.00 C ATOM 86 O TYR A 6 101.992 118.527 -36.525 1.00 0.00 O ATOM 87 CB TYR A 6 99.853 118.735 -38.950 1.00 0.00 C ATOM 88 CG TYR A 6 99.430 119.730 -39.999 1.00 0.00 C ATOM 89 CD1 TYR A 6 99.862 121.077 -39.909 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.608 119.340 -41.087 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.490 122.019 -40.898 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.233 120.279 -42.078 1.00 0.00 C ATOM 93 CZ TYR A 6 98.680 121.620 -41.988 1.00 0.00 C ATOM 94 OH TYR A 6 98.327 122.534 -42.959 1.00 0.00 O ATOM 0 H TYR A 6 101.240 117.588 -40.669 1.00 0.00 H new ATOM 0 HA TYR A 6 101.812 119.627 -38.804 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.437 117.757 -39.189 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.441 119.029 -37.984 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.480 121.387 -39.079 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.265 118.318 -41.160 1.00 0.00 H new ATOM 0 HE1 TYR A 6 99.825 123.043 -40.821 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.606 119.973 -42.902 1.00 0.00 H new ATOM 0 HH TYR A 6 97.770 122.094 -43.635 1.00 0.00 H new ATOM 104 N ILE A 7 101.772 116.544 -37.603 1.00 0.00 N ATOM 105 CA ILE A 7 102.224 115.794 -36.433 1.00 0.00 C ATOM 106 C ILE A 7 103.656 116.187 -36.018 1.00 0.00 C ATOM 107 O ILE A 7 103.947 116.393 -34.846 1.00 0.00 O ATOM 108 CB ILE A 7 102.158 114.292 -36.712 1.00 0.00 C ATOM 109 CG1 ILE A 7 100.768 113.892 -37.203 1.00 0.00 C ATOM 110 CG2 ILE A 7 102.548 113.490 -35.470 1.00 0.00 C ATOM 111 CD1 ILE A 7 99.690 114.295 -36.202 1.00 0.00 C ATOM 0 H ILE A 7 101.493 115.985 -38.409 1.00 0.00 H new ATOM 0 HA ILE A 7 101.557 116.042 -35.607 1.00 0.00 H new ATOM 0 HB ILE A 7 102.875 114.063 -37.501 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.570 114.365 -38.165 1.00 0.00 H new ATOM 0 HG13 ILE A 7 100.733 112.815 -37.364 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.493 112.424 -35.693 1.00 0.00 H new ATOM 0 HG22 ILE A 7 103.565 113.747 -35.175 1.00 0.00 H new ATOM 0 HG23 ILE A 7 101.864 113.726 -34.655 1.00 0.00 H new ATOM 0 HD11 ILE A 7 98.712 113.997 -36.580 1.00 0.00 H new ATOM 0 HD12 ILE A 7 99.876 113.801 -35.248 1.00 0.00 H new ATOM 0 HD13 ILE A 7 99.710 115.376 -36.061 1.00 0.00 H new ATOM 123 N ILE A 8 104.518 116.271 -37.048 1.00 0.00 N ATOM 124 CA ILE A 8 105.866 116.780 -36.851 1.00 0.00 C ATOM 125 C ILE A 8 105.845 118.189 -36.223 1.00 0.00 C ATOM 126 O ILE A 8 106.520 118.457 -35.238 1.00 0.00 O ATOM 127 CB ILE A 8 106.587 116.821 -38.202 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.604 115.447 -38.883 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.009 117.359 -38.038 1.00 0.00 C ATOM 130 CD1 ILE A 8 106.932 115.545 -40.373 1.00 0.00 C ATOM 0 H ILE A 8 104.300 115.995 -38.006 1.00 0.00 H new ATOM 0 HA ILE A 8 106.394 116.117 -36.165 1.00 0.00 H new ATOM 0 HB ILE A 8 106.029 117.498 -38.849 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.339 114.809 -38.392 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.633 114.969 -38.757 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.504 117.380 -39.009 1.00 0.00 H new ATOM 0 HG22 ILE A 8 107.971 118.368 -37.628 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.567 116.713 -37.360 1.00 0.00 H new ATOM 0 HD11 ILE A 8 106.932 114.547 -40.812 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.182 116.160 -40.871 1.00 0.00 H new ATOM 0 HD13 ILE A 8 107.915 115.998 -40.500 1.00 0.00 H new ATOM 142 N LYS A 9 105.028 119.058 -36.852 1.00 0.00 N ATOM 143 CA LYS A 9 104.888 120.423 -36.368 1.00 0.00 C ATOM 144 C LYS A 9 104.480 120.466 -34.881 1.00 0.00 C ATOM 145 O LYS A 9 105.097 121.142 -34.067 1.00 0.00 O ATOM 146 CB LYS A 9 103.806 121.106 -37.203 1.00 0.00 C ATOM 147 CG LYS A 9 103.878 122.630 -37.118 1.00 0.00 C ATOM 148 CD LYS A 9 104.156 123.263 -38.482 1.00 0.00 C ATOM 149 CE LYS A 9 103.008 123.027 -39.465 1.00 0.00 C ATOM 150 NZ LYS A 9 103.471 122.865 -40.838 1.00 0.00 N ATOM 0 H LYS A 9 104.471 118.835 -37.677 1.00 0.00 H new ATOM 0 HA LYS A 9 105.848 120.930 -36.461 1.00 0.00 H new ATOM 0 HB2 LYS A 9 103.906 120.798 -38.244 1.00 0.00 H new ATOM 0 HB3 LYS A 9 102.825 120.772 -36.865 1.00 0.00 H new ATOM 0 HG2 LYS A 9 102.939 123.017 -36.723 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.661 122.918 -36.417 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.315 124.334 -38.359 1.00 0.00 H new ATOM 0 HD3 LYS A 9 105.077 122.849 -38.893 1.00 0.00 H new ATOM 0 HE2 LYS A 9 102.454 122.137 -39.165 1.00 0.00 H new ATOM 0 HE3 LYS A 9 102.314 123.866 -39.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 102.655 122.708 -41.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 103.977 123.723 -41.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 104.112 122.048 -40.894 1.00 0.00 H new ATOM 164 N ALA A 10 103.407 119.705 -34.588 1.00 0.00 N ATOM 165 CA ALA A 10 102.800 119.783 -33.269 1.00 0.00 C ATOM 166 C ALA A 10 103.723 119.188 -32.193 1.00 0.00 C ATOM 167 O ALA A 10 103.922 119.775 -31.136 1.00 0.00 O ATOM 168 CB ALA A 10 101.460 119.044 -33.260 1.00 0.00 C ATOM 0 H ALA A 10 102.962 119.052 -35.233 1.00 0.00 H new ATOM 0 HA ALA A 10 102.638 120.836 -33.039 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.015 119.109 -32.267 1.00 0.00 H new ATOM 0 HB2 ALA A 10 100.789 119.498 -33.989 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.620 117.997 -33.518 1.00 0.00 H new ATOM 174 N SER A 11 104.272 117.995 -32.517 1.00 0.00 N ATOM 175 CA SER A 11 105.282 117.431 -31.637 1.00 0.00 C ATOM 176 C SER A 11 106.425 118.423 -31.334 1.00 0.00 C ATOM 177 O SER A 11 106.840 118.592 -30.194 1.00 0.00 O ATOM 178 CB SER A 11 105.870 116.159 -32.268 1.00 0.00 C ATOM 179 OG SER A 11 107.017 115.637 -31.606 1.00 0.00 O ATOM 0 H SER A 11 104.039 117.440 -33.340 1.00 0.00 H new ATOM 0 HA SER A 11 104.789 117.197 -30.693 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.098 115.390 -32.287 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.132 116.373 -33.304 1.00 0.00 H new ATOM 0 HG SER A 11 106.830 114.726 -31.297 1.00 0.00 H new ATOM 185 N ASN A 12 106.888 119.043 -32.443 1.00 0.00 N ATOM 186 CA ASN A 12 107.908 120.089 -32.456 1.00 0.00 C ATOM 187 C ASN A 12 109.204 119.549 -33.061 1.00 0.00 C ATOM 188 O ASN A 12 110.238 119.463 -32.408 1.00 0.00 O ATOM 189 CB ASN A 12 108.183 120.682 -31.071 1.00 0.00 C ATOM 190 CG ASN A 12 109.076 121.918 -31.200 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.231 121.926 -30.794 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.456 122.954 -31.793 1.00 0.00 N ATOM 0 H ASN A 12 106.545 118.815 -33.376 1.00 0.00 H new ATOM 0 HA ASN A 12 107.517 120.899 -33.071 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.243 120.951 -30.588 1.00 0.00 H new ATOM 0 HB3 ASN A 12 108.666 119.938 -30.437 1.00 0.00 H new ATOM 0 HD21 ASN A 12 108.953 123.833 -31.934 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.488 122.860 -32.102 1.00 0.00 H new ATOM 199 N ASP A 13 109.070 119.192 -34.353 1.00 0.00 N ATOM 200 CA ASP A 13 110.230 118.716 -35.100 1.00 0.00 C ATOM 201 C ASP A 13 110.966 117.583 -34.361 1.00 0.00 C ATOM 202 O ASP A 13 112.179 117.611 -34.192 1.00 0.00 O ATOM 203 CB ASP A 13 111.188 119.879 -35.358 1.00 0.00 C ATOM 204 CG ASP A 13 111.988 119.618 -36.636 1.00 0.00 C ATOM 205 OD1 ASP A 13 112.982 118.896 -36.569 1.00 0.00 O ATOM 206 OD2 ASP A 13 111.606 120.139 -37.683 1.00 0.00 O ATOM 0 H ASP A 13 108.197 119.225 -34.879 1.00 0.00 H new ATOM 0 HA ASP A 13 109.873 118.312 -36.047 1.00 0.00 H new ATOM 0 HB2 ASP A 13 110.628 120.809 -35.452 1.00 0.00 H new ATOM 0 HB3 ASP A 13 111.865 119.999 -34.512 1.00 0.00 H new ATOM 211 N VAL A 14 110.155 116.593 -33.937 1.00 0.00 N ATOM 212 CA VAL A 14 110.691 115.272 -33.648 1.00 0.00 C ATOM 213 C VAL A 14 110.481 114.354 -34.857 1.00 0.00 C ATOM 214 O VAL A 14 111.426 113.864 -35.464 1.00 0.00 O ATOM 215 CB VAL A 14 109.979 114.719 -32.413 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.329 113.250 -32.163 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.304 115.566 -31.182 1.00 0.00 C ATOM 0 H VAL A 14 109.150 116.690 -33.793 1.00 0.00 H new ATOM 0 HA VAL A 14 111.761 115.330 -33.450 1.00 0.00 H new ATOM 0 HB VAL A 14 108.907 114.771 -32.603 1.00 0.00 H new ATOM 0 HG11 VAL A 14 109.802 112.896 -31.277 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.031 112.653 -33.025 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.404 113.153 -32.009 1.00 0.00 H new ATOM 0 HG21 VAL A 14 109.789 115.157 -30.313 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.379 115.553 -31.005 1.00 0.00 H new ATOM 0 HG23 VAL A 14 109.976 116.592 -31.349 1.00 0.00 H new ATOM 227 N LEU A 15 109.184 114.156 -35.161 1.00 0.00 N ATOM 228 CA LEU A 15 108.851 113.109 -36.108 1.00 0.00 C ATOM 229 C LEU A 15 109.414 113.470 -37.486 1.00 0.00 C ATOM 230 O LEU A 15 109.828 114.593 -37.745 1.00 0.00 O ATOM 231 CB LEU A 15 107.330 112.934 -36.220 1.00 0.00 C ATOM 232 CG LEU A 15 106.615 112.489 -34.939 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.087 111.128 -34.421 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.696 113.546 -33.839 1.00 0.00 C ATOM 0 H LEU A 15 108.397 114.682 -34.781 1.00 0.00 H new ATOM 0 HA LEU A 15 109.287 112.175 -35.754 1.00 0.00 H new ATOM 0 HB2 LEU A 15 106.897 113.880 -36.546 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.124 112.203 -37.002 1.00 0.00 H new ATOM 0 HG LEU A 15 105.569 112.371 -35.221 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.540 110.875 -33.513 1.00 0.00 H new ATOM 0 HD12 LEU A 15 106.904 110.367 -35.179 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.154 111.172 -34.202 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.176 113.187 -32.951 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.741 113.738 -33.595 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.229 114.468 -34.185 1.00 0.00 H new ATOM 246 N ASN A 16 109.396 112.435 -38.347 1.00 0.00 N ATOM 247 CA ASN A 16 109.332 112.685 -39.781 1.00 0.00 C ATOM 248 C ASN A 16 107.856 112.658 -40.219 1.00 0.00 C ATOM 249 O ASN A 16 106.952 112.823 -39.410 1.00 0.00 O ATOM 250 CB ASN A 16 110.177 111.637 -40.520 1.00 0.00 C ATOM 251 CG ASN A 16 111.650 111.756 -40.115 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.002 112.407 -39.139 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.476 111.083 -40.937 1.00 0.00 N ATOM 0 H ASN A 16 109.424 111.452 -38.077 1.00 0.00 H new ATOM 0 HA ASN A 16 109.742 113.665 -40.027 1.00 0.00 H new ATOM 0 HB2 ASN A 16 109.810 110.637 -40.290 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.077 111.774 -41.597 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.482 111.091 -40.768 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.096 110.565 -41.729 1.00 0.00 H new ATOM 260 N GLU A 17 107.663 112.438 -41.536 1.00 0.00 N ATOM 261 CA GLU A 17 106.496 111.679 -41.971 1.00 0.00 C ATOM 262 C GLU A 17 106.380 110.333 -41.229 1.00 0.00 C ATOM 263 O GLU A 17 105.363 110.023 -40.622 1.00 0.00 O ATOM 264 CB GLU A 17 106.583 111.434 -43.477 1.00 0.00 C ATOM 265 CG GLU A 17 106.539 112.738 -44.272 1.00 0.00 C ATOM 266 CD GLU A 17 106.871 112.465 -45.741 1.00 0.00 C ATOM 267 OE1 GLU A 17 107.703 111.598 -46.003 1.00 0.00 O ATOM 268 OE2 GLU A 17 106.293 113.122 -46.605 1.00 0.00 O ATOM 0 H GLU A 17 108.278 112.764 -42.282 1.00 0.00 H new ATOM 0 HA GLU A 17 105.606 112.263 -41.737 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.506 110.901 -43.705 1.00 0.00 H new ATOM 0 HB3 GLU A 17 105.759 110.792 -43.788 1.00 0.00 H new ATOM 0 HG2 GLU A 17 105.550 113.190 -44.192 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.250 113.452 -43.856 1.00 0.00 H new ATOM 275 N LYS A 18 107.486 109.570 -41.320 1.00 0.00 N ATOM 276 CA LYS A 18 107.381 108.138 -41.082 1.00 0.00 C ATOM 277 C LYS A 18 106.962 107.829 -39.634 1.00 0.00 C ATOM 278 O LYS A 18 106.044 107.057 -39.389 1.00 0.00 O ATOM 279 CB LYS A 18 108.728 107.487 -41.389 1.00 0.00 C ATOM 280 CG LYS A 18 109.146 107.725 -42.836 1.00 0.00 C ATOM 281 CD LYS A 18 110.292 106.808 -43.255 1.00 0.00 C ATOM 282 CE LYS A 18 111.069 107.374 -44.445 1.00 0.00 C ATOM 283 NZ LYS A 18 112.171 106.511 -44.855 1.00 0.00 N ATOM 0 H LYS A 18 108.420 109.912 -41.547 1.00 0.00 H new ATOM 0 HA LYS A 18 106.608 107.734 -41.736 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.488 107.888 -40.719 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.668 106.416 -41.198 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.291 107.561 -43.492 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.449 108.765 -42.960 1.00 0.00 H new ATOM 0 HD2 LYS A 18 110.970 106.666 -42.413 1.00 0.00 H new ATOM 0 HD3 LYS A 18 109.895 105.826 -43.514 1.00 0.00 H new ATOM 0 HE2 LYS A 18 110.389 107.513 -45.285 1.00 0.00 H new ATOM 0 HE3 LYS A 18 111.460 108.358 -44.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 112.856 107.063 -45.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.641 106.124 -44.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 111.803 105.730 -45.436 1.00 0.00 H new ATOM 297 N THR A 19 107.682 108.478 -38.699 1.00 0.00 N ATOM 298 CA THR A 19 107.320 108.326 -37.297 1.00 0.00 C ATOM 299 C THR A 19 105.982 109.002 -36.933 1.00 0.00 C ATOM 300 O THR A 19 105.274 108.547 -36.043 1.00 0.00 O ATOM 301 CB THR A 19 108.448 108.884 -36.427 1.00 0.00 C ATOM 302 OG1 THR A 19 108.735 110.221 -36.772 1.00 0.00 O ATOM 303 CG2 THR A 19 109.709 108.020 -36.521 1.00 0.00 C ATOM 0 H THR A 19 108.481 109.084 -38.886 1.00 0.00 H new ATOM 0 HA THR A 19 107.181 107.261 -37.111 1.00 0.00 H new ATOM 0 HB THR A 19 108.105 108.861 -35.392 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.705 110.359 -36.766 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.490 108.446 -35.891 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.483 107.008 -36.185 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.053 107.990 -37.555 1.00 0.00 H new ATOM 311 N ALA A 20 105.675 110.103 -37.643 1.00 0.00 N ATOM 312 CA ALA A 20 104.406 110.766 -37.399 1.00 0.00 C ATOM 313 C ALA A 20 103.206 109.850 -37.712 1.00 0.00 C ATOM 314 O ALA A 20 102.269 109.755 -36.931 1.00 0.00 O ATOM 315 CB ALA A 20 104.344 112.016 -38.280 1.00 0.00 C ATOM 0 H ALA A 20 106.266 110.528 -38.357 1.00 0.00 H new ATOM 0 HA ALA A 20 104.345 111.027 -36.342 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.398 112.532 -38.114 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.169 112.681 -38.026 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.420 111.727 -39.328 1.00 0.00 H new ATOM 321 N THR A 21 103.283 109.184 -38.881 1.00 0.00 N ATOM 322 CA THR A 21 102.224 108.237 -39.209 1.00 0.00 C ATOM 323 C THR A 21 102.207 107.008 -38.279 1.00 0.00 C ATOM 324 O THR A 21 101.157 106.541 -37.859 1.00 0.00 O ATOM 325 CB THR A 21 102.329 107.837 -40.684 1.00 0.00 C ATOM 326 OG1 THR A 21 101.252 107.021 -41.091 1.00 0.00 O ATOM 327 CG2 THR A 21 103.676 107.206 -41.050 1.00 0.00 C ATOM 0 H THR A 21 104.026 109.281 -39.573 1.00 0.00 H new ATOM 0 HA THR A 21 101.269 108.735 -39.045 1.00 0.00 H new ATOM 0 HB THR A 21 102.268 108.771 -41.242 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.356 106.790 -42.038 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.681 106.947 -42.109 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.478 107.916 -40.846 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.829 106.305 -40.456 1.00 0.00 H new ATOM 335 N ILE A 22 103.424 106.513 -38.000 1.00 0.00 N ATOM 336 CA ILE A 22 103.542 105.325 -37.165 1.00 0.00 C ATOM 337 C ILE A 22 102.970 105.567 -35.757 1.00 0.00 C ATOM 338 O ILE A 22 102.151 104.804 -35.258 1.00 0.00 O ATOM 339 CB ILE A 22 105.028 104.970 -37.061 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.586 104.576 -38.431 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.309 103.912 -35.984 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.633 103.064 -38.665 1.00 0.00 C ATOM 0 H ILE A 22 104.306 106.905 -38.330 1.00 0.00 H new ATOM 0 HA ILE A 22 102.973 104.511 -37.615 1.00 0.00 H new ATOM 0 HB ILE A 22 105.558 105.865 -36.734 1.00 0.00 H new ATOM 0 HG12 ILE A 22 104.976 105.036 -39.208 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.592 104.982 -38.534 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.377 103.698 -35.954 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.986 104.287 -35.013 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.763 102.999 -36.220 1.00 0.00 H new ATOM 0 HD11 ILE A 22 106.039 102.862 -39.656 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.267 102.599 -37.911 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.626 102.654 -38.595 1.00 0.00 H new ATOM 354 N LEU A 23 103.453 106.674 -35.158 1.00 0.00 N ATOM 355 CA LEU A 23 102.871 107.141 -33.910 1.00 0.00 C ATOM 356 C LEU A 23 101.337 107.285 -33.997 1.00 0.00 C ATOM 357 O LEU A 23 100.629 106.993 -33.046 1.00 0.00 O ATOM 358 CB LEU A 23 103.520 108.485 -33.536 1.00 0.00 C ATOM 359 CG LEU A 23 102.746 109.292 -32.488 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.536 108.475 -31.212 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.450 110.615 -32.183 1.00 0.00 C ATOM 0 H LEU A 23 104.223 107.239 -35.515 1.00 0.00 H new ATOM 0 HA LEU A 23 103.069 106.398 -33.137 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.526 108.297 -33.162 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.623 109.088 -34.438 1.00 0.00 H new ATOM 0 HG LEU A 23 101.765 109.524 -32.902 1.00 0.00 H new ATOM 0 HD11 LEU A 23 101.984 109.071 -30.485 1.00 0.00 H new ATOM 0 HD12 LEU A 23 101.970 107.573 -31.446 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.504 108.198 -30.794 1.00 0.00 H new ATOM 0 HD21 LEU A 23 102.879 111.167 -31.436 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.451 110.415 -31.800 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.523 111.207 -33.095 1.00 0.00 H new ATOM 373 N ILE A 24 100.874 107.770 -35.165 1.00 0.00 N ATOM 374 CA ILE A 24 99.444 107.937 -35.340 1.00 0.00 C ATOM 375 C ILE A 24 98.695 106.594 -35.346 1.00 0.00 C ATOM 376 O ILE A 24 97.651 106.451 -34.724 1.00 0.00 O ATOM 377 CB ILE A 24 99.218 108.748 -36.610 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.663 110.180 -36.331 1.00 0.00 C ATOM 379 CG2 ILE A 24 97.777 108.668 -37.127 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.527 111.038 -35.773 1.00 0.00 C ATOM 0 H ILE A 24 101.451 108.039 -35.962 1.00 0.00 H new ATOM 0 HA ILE A 24 99.028 108.478 -34.490 1.00 0.00 H new ATOM 0 HB ILE A 24 99.814 108.326 -37.419 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.491 110.170 -35.622 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.037 110.629 -37.251 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.682 109.267 -38.033 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.527 107.631 -37.350 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.096 109.050 -36.367 1.00 0.00 H new ATOM 0 HD11 ILE A 24 98.891 112.049 -35.590 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.709 111.072 -36.493 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.170 110.606 -34.838 1.00 0.00 H new ATOM 392 N THR A 25 99.274 105.629 -36.084 1.00 0.00 N ATOM 393 CA THR A 25 98.602 104.344 -36.182 1.00 0.00 C ATOM 394 C THR A 25 98.413 103.698 -34.796 1.00 0.00 C ATOM 395 O THR A 25 97.320 103.274 -34.439 1.00 0.00 O ATOM 396 CB THR A 25 99.414 103.409 -37.090 1.00 0.00 C ATOM 397 OG1 THR A 25 100.111 104.072 -38.130 1.00 0.00 O ATOM 398 CG2 THR A 25 98.546 102.274 -37.639 1.00 0.00 C ATOM 0 H THR A 25 100.155 105.714 -36.591 1.00 0.00 H new ATOM 0 HA THR A 25 97.613 104.508 -36.610 1.00 0.00 H new ATOM 0 HB THR A 25 100.185 102.981 -36.450 1.00 0.00 H new ATOM 0 HG1 THR A 25 100.605 103.415 -38.664 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.150 101.630 -38.278 1.00 0.00 H new ATOM 0 HG22 THR A 25 98.144 101.690 -36.811 1.00 0.00 H new ATOM 0 HG23 THR A 25 97.724 102.693 -38.220 1.00 0.00 H new ATOM 406 N ILE A 26 99.530 103.653 -34.042 1.00 0.00 N ATOM 407 CA ILE A 26 99.420 103.219 -32.654 1.00 0.00 C ATOM 408 C ILE A 26 98.464 104.124 -31.850 1.00 0.00 C ATOM 409 O ILE A 26 97.562 103.658 -31.165 1.00 0.00 O ATOM 410 CB ILE A 26 100.794 103.250 -31.983 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.855 102.452 -32.748 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.689 102.775 -30.532 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.201 103.173 -32.725 1.00 0.00 C ATOM 0 H ILE A 26 100.468 103.900 -34.358 1.00 0.00 H new ATOM 0 HA ILE A 26 99.023 102.204 -32.663 1.00 0.00 H new ATOM 0 HB ILE A 26 101.128 104.287 -31.995 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.961 101.462 -32.305 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.533 102.307 -33.779 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.675 102.803 -30.068 1.00 0.00 H new ATOM 0 HG22 ILE A 26 100.011 103.429 -29.983 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.306 101.755 -30.510 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.937 102.587 -33.275 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.097 104.153 -33.191 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.531 103.295 -31.693 1.00 0.00 H new ATOM 425 N ALA A 27 98.731 105.436 -31.986 1.00 0.00 N ATOM 426 CA ALA A 27 98.046 106.426 -31.158 1.00 0.00 C ATOM 427 C ALA A 27 96.515 106.268 -31.216 1.00 0.00 C ATOM 428 O ALA A 27 95.836 106.275 -30.196 1.00 0.00 O ATOM 429 CB ALA A 27 98.405 107.833 -31.642 1.00 0.00 C ATOM 0 H ALA A 27 99.403 105.822 -32.649 1.00 0.00 H new ATOM 0 HA ALA A 27 98.371 106.271 -30.129 1.00 0.00 H new ATOM 0 HB1 ALA A 27 97.894 108.572 -31.024 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.482 107.980 -31.567 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.095 107.951 -32.680 1.00 0.00 H new ATOM 435 N LYS A 28 96.016 106.129 -32.462 1.00 0.00 N ATOM 436 CA LYS A 28 94.596 105.876 -32.654 1.00 0.00 C ATOM 437 C LYS A 28 94.148 104.637 -31.864 1.00 0.00 C ATOM 438 O LYS A 28 93.268 104.696 -31.015 1.00 0.00 O ATOM 439 CB LYS A 28 94.290 105.699 -34.147 1.00 0.00 C ATOM 440 CG LYS A 28 92.937 106.304 -34.521 1.00 0.00 C ATOM 441 CD LYS A 28 91.770 105.474 -33.986 1.00 0.00 C ATOM 442 CE LYS A 28 90.428 106.175 -34.198 1.00 0.00 C ATOM 443 NZ LYS A 28 89.735 105.701 -35.391 1.00 0.00 N ATOM 0 H LYS A 28 96.566 106.187 -33.319 1.00 0.00 H new ATOM 0 HA LYS A 28 94.039 106.735 -32.279 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.075 106.170 -34.738 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.296 104.638 -34.397 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.872 107.318 -34.126 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.861 106.379 -35.606 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.756 104.504 -34.484 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.917 105.284 -32.923 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.795 106.014 -33.325 1.00 0.00 H new ATOM 0 HE3 LYS A 28 90.591 107.250 -34.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 88.831 106.206 -35.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 90.325 105.878 -36.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 89.554 104.681 -35.305 1.00 0.00 H new ATOM 457 N LYS A 29 94.819 103.520 -32.206 1.00 0.00 N ATOM 458 CA LYS A 29 94.315 102.219 -31.808 1.00 0.00 C ATOM 459 C LYS A 29 95.008 101.782 -30.511 1.00 0.00 C ATOM 460 O LYS A 29 96.227 101.709 -30.418 1.00 0.00 O ATOM 461 CB LYS A 29 94.590 101.196 -32.908 1.00 0.00 C ATOM 462 CG LYS A 29 93.523 100.109 -32.931 1.00 0.00 C ATOM 463 CD LYS A 29 94.124 98.742 -33.241 1.00 0.00 C ATOM 464 CE LYS A 29 93.078 97.756 -33.762 1.00 0.00 C ATOM 465 NZ LYS A 29 91.910 97.676 -32.892 1.00 0.00 N ATOM 0 H LYS A 29 95.686 103.504 -32.742 1.00 0.00 H new ATOM 0 HA LYS A 29 93.239 102.283 -31.644 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.622 101.698 -33.875 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.569 100.744 -32.751 1.00 0.00 H new ATOM 0 HG2 LYS A 29 93.016 100.075 -31.966 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.769 100.354 -33.679 1.00 0.00 H new ATOM 0 HD2 LYS A 29 94.916 98.855 -33.982 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.586 98.337 -32.340 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.764 98.058 -34.761 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.528 96.767 -33.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.336 96.850 -33.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.219 97.580 -31.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 91.341 98.540 -32.995 1.00 0.00 H new ATOM 479 N ASP A 30 94.138 101.498 -29.529 1.00 0.00 N ATOM 480 CA ASP A 30 94.593 101.105 -28.212 1.00 0.00 C ATOM 481 C ASP A 30 94.687 99.576 -28.138 1.00 0.00 C ATOM 482 O ASP A 30 93.688 98.869 -28.200 1.00 0.00 O ATOM 483 CB ASP A 30 93.583 101.601 -27.181 1.00 0.00 C ATOM 484 CG ASP A 30 93.587 103.129 -27.128 1.00 0.00 C ATOM 485 OD1 ASP A 30 94.550 103.697 -26.616 1.00 0.00 O ATOM 486 OD2 ASP A 30 92.626 103.736 -27.600 1.00 0.00 O ATOM 0 H ASP A 30 93.124 101.537 -29.634 1.00 0.00 H new ATOM 0 HA ASP A 30 95.575 101.535 -28.013 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.586 101.242 -27.436 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.826 101.195 -26.199 1.00 0.00 H new ATOM 491 N PHE A 31 95.948 99.123 -28.002 1.00 0.00 N ATOM 492 CA PHE A 31 96.292 97.766 -28.412 1.00 0.00 C ATOM 493 C PHE A 31 95.985 97.578 -29.906 1.00 0.00 C ATOM 494 O PHE A 31 95.182 96.742 -30.302 1.00 0.00 O ATOM 495 CB PHE A 31 95.556 96.696 -27.585 1.00 0.00 C ATOM 496 CG PHE A 31 95.838 96.780 -26.104 1.00 0.00 C ATOM 497 CD1 PHE A 31 95.100 97.683 -25.297 1.00 0.00 C ATOM 498 CD2 PHE A 31 96.829 95.964 -25.497 1.00 0.00 C ATOM 499 CE1 PHE A 31 95.330 97.758 -23.902 1.00 0.00 C ATOM 500 CE2 PHE A 31 97.061 96.035 -24.102 1.00 0.00 C ATOM 501 CZ PHE A 31 96.309 96.930 -23.303 1.00 0.00 C ATOM 0 H PHE A 31 96.721 99.668 -27.620 1.00 0.00 H new ATOM 0 HA PHE A 31 97.359 97.634 -28.232 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.483 96.796 -27.749 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.843 95.708 -27.946 1.00 0.00 H new ATOM 0 HD1 PHE A 31 94.355 98.320 -25.751 1.00 0.00 H new ATOM 0 HD2 PHE A 31 97.410 95.285 -26.103 1.00 0.00 H new ATOM 0 HE1 PHE A 31 94.759 98.446 -23.296 1.00 0.00 H new ATOM 0 HE2 PHE A 31 97.812 95.406 -23.647 1.00 0.00 H new ATOM 0 HZ PHE A 31 96.482 96.981 -22.238 1.00 0.00 H new ATOM 511 N ILE A 32 96.685 98.417 -30.695 1.00 0.00 N ATOM 512 CA ILE A 32 97.335 97.971 -31.914 1.00 0.00 C ATOM 513 C ILE A 32 98.232 96.750 -31.637 1.00 0.00 C ATOM 514 O ILE A 32 98.085 96.059 -30.639 1.00 0.00 O ATOM 515 CB ILE A 32 98.090 99.164 -32.530 1.00 0.00 C ATOM 516 CG1 ILE A 32 98.172 99.013 -34.045 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.478 99.377 -31.923 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.361 100.360 -34.737 1.00 0.00 C ATOM 0 H ILE A 32 96.807 99.410 -30.496 1.00 0.00 H new ATOM 0 HA ILE A 32 96.600 97.631 -32.643 1.00 0.00 H new ATOM 0 HB ILE A 32 97.516 100.059 -32.290 1.00 0.00 H new ATOM 0 HG12 ILE A 32 99.001 98.353 -34.301 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.262 98.539 -34.413 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.957 100.232 -32.400 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.383 99.565 -30.854 1.00 0.00 H new ATOM 0 HG23 ILE A 32 100.085 98.486 -32.082 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.415 100.211 -35.815 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.519 101.011 -34.502 1.00 0.00 H new ATOM 0 HD13 ILE A 32 99.285 100.822 -34.388 1.00 0.00 H new ATOM 530 N THR A 33 99.153 96.522 -32.589 1.00 0.00 N ATOM 531 CA THR A 33 100.503 96.136 -32.199 1.00 0.00 C ATOM 532 C THR A 33 101.499 96.766 -33.183 1.00 0.00 C ATOM 533 O THR A 33 101.136 97.527 -34.072 1.00 0.00 O ATOM 534 CB THR A 33 100.633 94.600 -32.188 1.00 0.00 C ATOM 535 OG1 THR A 33 100.727 94.038 -33.478 1.00 0.00 O ATOM 536 CG2 THR A 33 99.496 93.926 -31.411 1.00 0.00 C ATOM 0 H THR A 33 98.990 96.596 -33.593 1.00 0.00 H new ATOM 0 HA THR A 33 100.719 96.495 -31.193 1.00 0.00 H new ATOM 0 HB THR A 33 101.574 94.404 -31.674 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.830 93.946 -33.861 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.632 92.845 -31.432 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.506 94.273 -30.378 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.541 94.181 -31.870 1.00 0.00 H new ATOM 544 N ALA A 34 102.774 96.398 -32.967 1.00 0.00 N ATOM 545 CA ALA A 34 103.732 96.549 -34.057 1.00 0.00 C ATOM 546 C ALA A 34 103.280 95.843 -35.355 1.00 0.00 C ATOM 547 O ALA A 34 103.458 96.360 -36.450 1.00 0.00 O ATOM 548 CB ALA A 34 105.095 96.010 -33.619 1.00 0.00 C ATOM 0 H ALA A 34 103.143 96.016 -32.097 1.00 0.00 H new ATOM 0 HA ALA A 34 103.800 97.613 -34.282 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.810 96.123 -34.434 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.444 96.567 -32.750 1.00 0.00 H new ATOM 0 HB3 ALA A 34 105.003 94.955 -33.361 1.00 0.00 H new ATOM 554 N ALA A 35 102.699 94.642 -35.167 1.00 0.00 N ATOM 555 CA ALA A 35 102.224 93.872 -36.306 1.00 0.00 C ATOM 556 C ALA A 35 101.197 94.662 -37.144 1.00 0.00 C ATOM 557 O ALA A 35 101.315 94.760 -38.358 1.00 0.00 O ATOM 558 CB ALA A 35 101.619 92.547 -35.820 1.00 0.00 C ATOM 0 H ALA A 35 102.555 94.203 -34.258 1.00 0.00 H new ATOM 0 HA ALA A 35 103.076 93.665 -36.953 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.264 91.973 -36.676 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.378 91.974 -35.288 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.784 92.752 -35.150 1.00 0.00 H new ATOM 564 N GLU A 36 100.189 95.214 -36.438 1.00 0.00 N ATOM 565 CA GLU A 36 99.191 95.990 -37.160 1.00 0.00 C ATOM 566 C GLU A 36 99.798 97.224 -37.856 1.00 0.00 C ATOM 567 O GLU A 36 99.425 97.553 -38.976 1.00 0.00 O ATOM 568 CB GLU A 36 98.047 96.409 -36.227 1.00 0.00 C ATOM 569 CG GLU A 36 96.690 96.073 -36.842 1.00 0.00 C ATOM 570 CD GLU A 36 95.611 96.012 -35.757 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.726 96.738 -34.771 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.669 95.238 -35.912 1.00 0.00 O ATOM 0 H GLU A 36 100.056 95.139 -35.429 1.00 0.00 H new ATOM 0 HA GLU A 36 98.791 95.343 -37.941 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.151 95.902 -35.267 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.106 97.479 -36.030 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.425 96.825 -37.585 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.746 95.117 -37.362 1.00 0.00 H new ATOM 579 N VAL A 37 100.736 97.891 -37.152 1.00 0.00 N ATOM 580 CA VAL A 37 101.390 99.023 -37.793 1.00 0.00 C ATOM 581 C VAL A 37 102.120 98.595 -39.087 1.00 0.00 C ATOM 582 O VAL A 37 102.004 99.242 -40.121 1.00 0.00 O ATOM 583 CB VAL A 37 102.373 99.665 -36.811 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.181 100.778 -37.481 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.652 100.203 -35.572 1.00 0.00 C ATOM 0 H VAL A 37 101.036 97.676 -36.201 1.00 0.00 H new ATOM 0 HA VAL A 37 100.628 99.750 -38.074 1.00 0.00 H new ATOM 0 HB VAL A 37 103.065 98.885 -36.491 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.870 101.214 -36.757 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.746 100.365 -38.317 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.504 101.549 -37.847 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.378 100.652 -34.895 1.00 0.00 H new ATOM 0 HG22 VAL A 37 100.923 100.955 -35.873 1.00 0.00 H new ATOM 0 HG23 VAL A 37 101.141 99.385 -35.065 1.00 0.00 H new ATOM 595 N ARG A 38 102.871 97.482 -38.968 1.00 0.00 N ATOM 596 CA ARG A 38 103.435 96.860 -40.156 1.00 0.00 C ATOM 597 C ARG A 38 102.367 96.573 -41.235 1.00 0.00 C ATOM 598 O ARG A 38 102.574 96.819 -42.417 1.00 0.00 O ATOM 599 CB ARG A 38 104.131 95.564 -39.753 1.00 0.00 C ATOM 600 CG ARG A 38 105.408 95.822 -38.952 1.00 0.00 C ATOM 601 CD ARG A 38 106.617 95.110 -39.559 1.00 0.00 C ATOM 602 NE ARG A 38 107.774 95.276 -38.702 1.00 0.00 N ATOM 603 CZ ARG A 38 108.893 94.597 -39.009 1.00 0.00 C ATOM 604 NH1 ARG A 38 109.609 94.943 -40.075 1.00 0.00 N ATOM 605 NH2 ARG A 38 109.284 93.580 -38.246 1.00 0.00 N ATOM 0 H ARG A 38 103.089 97.017 -38.087 1.00 0.00 H new ATOM 0 HA ARG A 38 104.149 97.557 -40.595 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.448 94.956 -39.160 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.374 94.990 -40.647 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.601 96.894 -38.912 1.00 0.00 H new ATOM 0 HG3 ARG A 38 105.266 95.485 -37.925 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.398 94.050 -39.687 1.00 0.00 H new ATOM 0 HD3 ARG A 38 106.827 95.514 -40.549 1.00 0.00 H new ATOM 0 HE ARG A 38 107.740 95.891 -37.889 1.00 0.00 H new ATOM 0 HH11 ARG A 38 109.309 95.723 -40.659 1.00 0.00 H new ATOM 0 HH12 ARG A 38 110.458 94.428 -40.308 1.00 0.00 H new ATOM 0 HH21 ARG A 38 108.735 93.315 -37.428 1.00 0.00 H new ATOM 0 HH22 ARG A 38 110.133 93.065 -38.479 1.00 0.00 H new ATOM 619 N GLU A 39 101.226 96.037 -40.759 1.00 0.00 N ATOM 620 CA GLU A 39 100.224 95.554 -41.698 1.00 0.00 C ATOM 621 C GLU A 39 99.518 96.708 -42.439 1.00 0.00 C ATOM 622 O GLU A 39 99.265 96.636 -43.635 1.00 0.00 O ATOM 623 CB GLU A 39 99.195 94.728 -40.932 1.00 0.00 C ATOM 624 CG GLU A 39 99.819 93.462 -40.353 1.00 0.00 C ATOM 625 CD GLU A 39 99.449 92.227 -41.181 1.00 0.00 C ATOM 626 OE1 GLU A 39 99.360 92.345 -42.403 1.00 0.00 O ATOM 627 OE2 GLU A 39 99.254 91.164 -40.596 1.00 0.00 O ATOM 0 H GLU A 39 100.991 95.935 -39.772 1.00 0.00 H new ATOM 0 HA GLU A 39 100.725 94.946 -42.451 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.771 95.328 -40.127 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.374 94.460 -41.596 1.00 0.00 H new ATOM 0 HG2 GLU A 39 100.903 93.570 -40.323 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.483 93.327 -39.325 1.00 0.00 H new ATOM 719 N ASN A 46 108.583 98.437 -44.245 1.00 0.00 N ATOM 720 CA ASN A 46 108.830 97.460 -43.191 1.00 0.00 C ATOM 721 C ASN A 46 110.027 97.844 -42.298 1.00 0.00 C ATOM 722 O ASN A 46 109.932 97.846 -41.076 1.00 0.00 O ATOM 723 CB ASN A 46 109.041 96.071 -43.789 1.00 0.00 C ATOM 724 CG ASN A 46 110.191 96.056 -44.808 1.00 0.00 C ATOM 725 OD1 ASN A 46 110.036 96.457 -45.955 1.00 0.00 O ATOM 726 ND2 ASN A 46 111.346 95.571 -44.314 1.00 0.00 N ATOM 0 HA ASN A 46 107.945 97.449 -42.555 1.00 0.00 H new ATOM 0 HB2 ASN A 46 109.254 95.360 -42.991 1.00 0.00 H new ATOM 0 HB3 ASN A 46 108.122 95.741 -44.273 1.00 0.00 H new ATOM 0 HD21 ASN A 46 112.173 95.519 -44.909 1.00 0.00 H new ATOM 0 HD22 ASN A 46 111.394 95.256 -43.345 1.00 0.00 H new ATOM 733 N ALA A 47 111.145 98.163 -42.975 1.00 0.00 N ATOM 734 CA ALA A 47 112.336 98.504 -42.213 1.00 0.00 C ATOM 735 C ALA A 47 112.125 99.770 -41.363 1.00 0.00 C ATOM 736 O ALA A 47 112.470 99.804 -40.187 1.00 0.00 O ATOM 737 CB ALA A 47 113.512 98.706 -43.170 1.00 0.00 C ATOM 0 H ALA A 47 111.240 98.189 -43.990 1.00 0.00 H new ATOM 0 HA ALA A 47 112.550 97.681 -41.530 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.405 98.962 -42.600 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.689 97.787 -43.728 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.281 99.514 -43.865 1.00 0.00 H new ATOM 743 N VAL A 48 111.540 100.800 -42.010 1.00 0.00 N ATOM 744 CA VAL A 48 111.342 102.026 -41.249 1.00 0.00 C ATOM 745 C VAL A 48 110.363 101.816 -40.079 1.00 0.00 C ATOM 746 O VAL A 48 110.574 102.332 -38.991 1.00 0.00 O ATOM 747 CB VAL A 48 110.880 103.182 -42.146 1.00 0.00 C ATOM 748 CG1 VAL A 48 111.797 103.339 -43.356 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.426 103.034 -42.594 1.00 0.00 C ATOM 0 H VAL A 48 111.223 100.805 -42.979 1.00 0.00 H new ATOM 0 HA VAL A 48 112.310 102.298 -40.829 1.00 0.00 H new ATOM 0 HB VAL A 48 110.940 104.086 -41.540 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.446 104.165 -43.974 1.00 0.00 H new ATOM 0 HG12 VAL A 48 112.813 103.545 -43.018 1.00 0.00 H new ATOM 0 HG13 VAL A 48 111.788 102.419 -43.941 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.152 103.879 -43.226 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.311 102.108 -43.157 1.00 0.00 H new ATOM 0 HG23 VAL A 48 108.776 103.010 -41.719 1.00 0.00 H new ATOM 759 N VAL A 49 109.297 101.040 -40.355 1.00 0.00 N ATOM 760 CA VAL A 49 108.235 100.879 -39.370 1.00 0.00 C ATOM 761 C VAL A 49 108.754 100.291 -38.044 1.00 0.00 C ATOM 762 O VAL A 49 108.386 100.740 -36.966 1.00 0.00 O ATOM 763 CB VAL A 49 107.127 100.010 -39.976 1.00 0.00 C ATOM 764 CG1 VAL A 49 106.084 99.593 -38.942 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.447 100.760 -41.112 1.00 0.00 C ATOM 0 H VAL A 49 109.158 100.532 -41.229 1.00 0.00 H new ATOM 0 HA VAL A 49 107.833 101.862 -39.123 1.00 0.00 H new ATOM 0 HB VAL A 49 107.597 99.102 -40.352 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.321 98.979 -39.422 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.566 99.020 -38.150 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.619 100.482 -38.515 1.00 0.00 H new ATOM 0 HG21 VAL A 49 105.660 100.138 -41.539 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.012 101.683 -40.729 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.181 100.997 -41.882 1.00 0.00 H new ATOM 775 N ASN A 50 109.623 99.271 -38.184 1.00 0.00 N ATOM 776 CA ASN A 50 110.334 98.770 -37.014 1.00 0.00 C ATOM 777 C ASN A 50 111.075 99.897 -36.264 1.00 0.00 C ATOM 778 O ASN A 50 110.995 100.012 -35.047 1.00 0.00 O ATOM 779 CB ASN A 50 111.343 97.701 -37.451 1.00 0.00 C ATOM 780 CG ASN A 50 111.451 96.613 -36.379 1.00 0.00 C ATOM 781 OD1 ASN A 50 112.315 96.644 -35.511 1.00 0.00 O ATOM 782 ND2 ASN A 50 110.515 95.656 -36.504 1.00 0.00 N ATOM 0 H ASN A 50 109.838 98.800 -39.063 1.00 0.00 H new ATOM 0 HA ASN A 50 109.598 98.343 -36.333 1.00 0.00 H new ATOM 0 HB2 ASN A 50 111.031 97.260 -38.398 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.319 98.157 -37.618 1.00 0.00 H new ATOM 0 HD21 ASN A 50 110.489 94.879 -35.844 1.00 0.00 H new ATOM 0 HD22 ASN A 50 109.831 95.707 -37.259 1.00 0.00 H new ATOM 789 N SER A 51 111.794 100.712 -37.061 1.00 0.00 N ATOM 790 CA SER A 51 112.525 101.811 -36.446 1.00 0.00 C ATOM 791 C SER A 51 111.591 102.829 -35.756 1.00 0.00 C ATOM 792 O SER A 51 111.873 103.294 -34.660 1.00 0.00 O ATOM 793 CB SER A 51 113.369 102.519 -37.517 1.00 0.00 C ATOM 794 OG SER A 51 113.858 103.803 -37.147 1.00 0.00 O ATOM 0 H SER A 51 111.877 100.631 -38.074 1.00 0.00 H new ATOM 0 HA SER A 51 113.167 101.391 -35.672 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.217 101.883 -37.769 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.769 102.622 -38.421 1.00 0.00 H new ATOM 0 HG SER A 51 114.383 104.178 -37.884 1.00 0.00 H new ATOM 800 N ASN A 52 110.484 103.155 -36.454 1.00 0.00 N ATOM 801 CA ASN A 52 109.640 104.275 -36.065 1.00 0.00 C ATOM 802 C ASN A 52 108.890 104.038 -34.734 1.00 0.00 C ATOM 803 O ASN A 52 108.728 104.932 -33.914 1.00 0.00 O ATOM 804 CB ASN A 52 108.610 104.492 -37.172 1.00 0.00 C ATOM 805 CG ASN A 52 109.291 104.862 -38.498 1.00 0.00 C ATOM 806 OD1 ASN A 52 110.237 105.638 -38.546 1.00 0.00 O ATOM 807 ND2 ASN A 52 108.751 104.240 -39.563 1.00 0.00 N ATOM 0 H ASN A 52 110.165 102.654 -37.284 1.00 0.00 H new ATOM 0 HA ASN A 52 110.284 105.142 -35.919 1.00 0.00 H new ATOM 0 HB2 ASN A 52 108.018 103.586 -37.304 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.920 105.284 -36.881 1.00 0.00 H new ATOM 0 HD21 ASN A 52 109.131 104.402 -40.495 1.00 0.00 H new ATOM 0 HD22 ASN A 52 107.962 103.606 -39.437 1.00 0.00 H new ATOM 814 N ILE A 53 108.404 102.797 -34.589 1.00 0.00 N ATOM 815 CA ILE A 53 107.781 102.408 -33.340 1.00 0.00 C ATOM 816 C ILE A 53 108.801 102.376 -32.183 1.00 0.00 C ATOM 817 O ILE A 53 108.557 102.897 -31.103 1.00 0.00 O ATOM 818 CB ILE A 53 107.144 101.029 -33.504 1.00 0.00 C ATOM 819 CG1 ILE A 53 106.180 100.961 -34.694 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.408 100.620 -32.232 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.918 99.516 -35.103 1.00 0.00 C ATOM 0 H ILE A 53 108.433 102.072 -35.306 1.00 0.00 H new ATOM 0 HA ILE A 53 107.020 103.148 -33.092 1.00 0.00 H new ATOM 0 HB ILE A 53 107.961 100.334 -33.698 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.239 101.445 -34.432 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.598 101.511 -35.537 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.962 99.635 -32.370 1.00 0.00 H new ATOM 0 HG22 ILE A 53 107.111 100.586 -31.400 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.624 101.346 -32.016 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.231 99.496 -35.949 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.858 99.042 -35.387 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.478 98.975 -34.265 1.00 0.00 H new ATOM 833 N GLY A 54 109.940 101.720 -32.465 1.00 0.00 N ATOM 834 CA GLY A 54 110.991 101.679 -31.463 1.00 0.00 C ATOM 835 C GLY A 54 111.491 103.069 -31.043 1.00 0.00 C ATOM 836 O GLY A 54 111.716 103.335 -29.871 1.00 0.00 O ATOM 0 H GLY A 54 110.142 101.235 -33.339 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.622 101.153 -30.582 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.830 101.102 -31.851 1.00 0.00 H new ATOM 840 N VAL A 55 111.669 103.927 -32.058 1.00 0.00 N ATOM 841 CA VAL A 55 112.226 105.244 -31.780 1.00 0.00 C ATOM 842 C VAL A 55 111.258 106.131 -30.958 1.00 0.00 C ATOM 843 O VAL A 55 111.680 106.911 -30.112 1.00 0.00 O ATOM 844 CB VAL A 55 112.647 105.909 -33.089 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.440 106.419 -33.849 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.658 107.026 -32.848 1.00 0.00 C ATOM 0 H VAL A 55 111.445 103.739 -33.035 1.00 0.00 H new ATOM 0 HA VAL A 55 113.110 105.118 -31.155 1.00 0.00 H new ATOM 0 HB VAL A 55 113.137 105.152 -33.702 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.766 106.888 -34.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.775 105.586 -34.078 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.909 107.150 -33.240 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.936 107.477 -33.801 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.215 107.785 -32.203 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.547 106.615 -32.368 1.00 0.00 H new ATOM 856 N LEU A 56 109.947 105.974 -31.247 1.00 0.00 N ATOM 857 CA LEU A 56 108.942 106.457 -30.307 1.00 0.00 C ATOM 858 C LEU A 56 109.170 105.864 -28.895 1.00 0.00 C ATOM 859 O LEU A 56 109.178 106.576 -27.901 1.00 0.00 O ATOM 860 CB LEU A 56 107.580 105.974 -30.823 1.00 0.00 C ATOM 861 CG LEU A 56 106.949 106.840 -31.923 1.00 0.00 C ATOM 862 CD1 LEU A 56 107.954 107.696 -32.693 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.177 105.959 -32.906 1.00 0.00 C ATOM 0 H LEU A 56 109.582 105.534 -32.091 1.00 0.00 H new ATOM 0 HA LEU A 56 108.996 107.543 -30.234 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.694 104.959 -31.203 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.889 105.924 -29.982 1.00 0.00 H new ATOM 0 HG LEU A 56 106.278 107.530 -31.411 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.430 108.278 -33.452 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.461 108.371 -32.003 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.689 107.050 -33.174 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.733 106.582 -33.682 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.858 105.240 -33.363 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.389 105.425 -32.375 1.00 0.00 H new ATOM 875 N ILE A 57 109.380 104.535 -28.867 1.00 0.00 N ATOM 876 CA ILE A 57 109.492 103.881 -27.569 1.00 0.00 C ATOM 877 C ILE A 57 110.709 104.387 -26.763 1.00 0.00 C ATOM 878 O ILE A 57 110.622 104.618 -25.563 1.00 0.00 O ATOM 879 CB ILE A 57 109.586 102.367 -27.765 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.376 101.835 -28.552 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.800 101.651 -26.427 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.432 100.934 -27.758 1.00 0.00 C ATOM 0 H ILE A 57 109.470 103.929 -29.683 1.00 0.00 H new ATOM 0 HA ILE A 57 108.599 104.128 -26.995 1.00 0.00 H new ATOM 0 HB ILE A 57 110.464 102.148 -28.372 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.808 102.684 -28.933 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.740 101.281 -29.417 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.863 100.576 -26.596 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.726 102.002 -25.971 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.964 101.865 -25.762 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.612 100.611 -28.399 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.978 100.061 -27.399 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.032 101.486 -26.908 1.00 0.00 H new ATOM 894 N LYS A 58 111.833 104.544 -27.488 1.00 0.00 N ATOM 895 CA LYS A 58 113.074 104.918 -26.821 1.00 0.00 C ATOM 896 C LYS A 58 113.011 106.343 -26.222 1.00 0.00 C ATOM 897 O LYS A 58 113.665 106.646 -25.232 1.00 0.00 O ATOM 898 CB LYS A 58 114.242 104.748 -27.795 1.00 0.00 C ATOM 899 CG LYS A 58 114.484 105.948 -28.708 1.00 0.00 C ATOM 900 CD LYS A 58 115.794 105.762 -29.462 1.00 0.00 C ATOM 901 CE LYS A 58 116.146 106.979 -30.322 1.00 0.00 C ATOM 902 NZ LYS A 58 116.418 106.632 -31.713 1.00 0.00 N ATOM 0 H LYS A 58 111.900 104.421 -28.498 1.00 0.00 H new ATOM 0 HA LYS A 58 113.229 104.253 -25.971 1.00 0.00 H new ATOM 0 HB2 LYS A 58 115.150 104.553 -27.224 1.00 0.00 H new ATOM 0 HB3 LYS A 58 114.059 103.869 -28.412 1.00 0.00 H new ATOM 0 HG2 LYS A 58 113.659 106.053 -29.413 1.00 0.00 H new ATOM 0 HG3 LYS A 58 114.519 106.864 -28.119 1.00 0.00 H new ATOM 0 HD2 LYS A 58 116.598 105.578 -28.749 1.00 0.00 H new ATOM 0 HD3 LYS A 58 115.723 104.879 -30.097 1.00 0.00 H new ATOM 0 HE2 LYS A 58 115.324 107.694 -30.285 1.00 0.00 H new ATOM 0 HE3 LYS A 58 117.019 107.476 -29.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 116.091 107.401 -32.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 117.441 106.494 -31.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 115.916 105.754 -31.956 1.00 0.00 H new ATOM 916 N LYS A 59 112.190 107.187 -26.881 1.00 0.00 N ATOM 917 CA LYS A 59 111.897 108.504 -26.350 1.00 0.00 C ATOM 918 C LYS A 59 110.943 108.415 -25.142 1.00 0.00 C ATOM 919 O LYS A 59 111.179 109.013 -24.099 1.00 0.00 O ATOM 920 CB LYS A 59 111.227 109.306 -27.463 1.00 0.00 C ATOM 921 CG LYS A 59 112.157 109.558 -28.650 1.00 0.00 C ATOM 922 CD LYS A 59 111.373 109.926 -29.907 1.00 0.00 C ATOM 923 CE LYS A 59 112.290 110.379 -31.044 1.00 0.00 C ATOM 924 NZ LYS A 59 111.606 110.399 -32.331 1.00 0.00 N ATOM 0 H LYS A 59 111.732 106.971 -27.766 1.00 0.00 H new ATOM 0 HA LYS A 59 112.819 108.979 -26.014 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.341 108.772 -27.807 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.888 110.262 -27.063 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.852 110.361 -28.405 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.755 108.667 -28.841 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.788 109.066 -30.234 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.666 110.722 -29.673 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.674 111.375 -30.823 1.00 0.00 H new ATOM 0 HE3 LYS A 59 113.150 109.712 -31.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 112.001 111.158 -32.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 111.738 109.485 -32.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 110.591 110.568 -32.182 1.00 0.00 H new ATOM 938 N GLY A 60 109.861 107.638 -25.350 1.00 0.00 N ATOM 939 CA GLY A 60 108.534 108.181 -25.202 1.00 0.00 C ATOM 940 C GLY A 60 108.263 109.132 -26.364 1.00 0.00 C ATOM 941 O GLY A 60 108.690 110.279 -26.371 1.00 0.00 O ATOM 0 H GLY A 60 109.897 106.654 -25.615 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.796 107.379 -25.190 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.445 108.709 -24.253 1.00 0.00 H new ATOM 945 N LEU A 61 107.531 108.563 -27.338 1.00 0.00 N ATOM 946 CA LEU A 61 106.149 108.229 -27.116 1.00 0.00 C ATOM 947 C LEU A 61 105.765 107.190 -28.166 1.00 0.00 C ATOM 948 O LEU A 61 105.417 107.493 -29.300 1.00 0.00 O ATOM 949 CB LEU A 61 105.349 109.508 -27.367 1.00 0.00 C ATOM 950 CG LEU A 61 105.719 110.279 -28.654 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.576 111.185 -29.073 1.00 0.00 C ATOM 952 CD2 LEU A 61 106.988 111.114 -28.500 1.00 0.00 C ATOM 0 H LEU A 61 107.884 108.335 -28.267 1.00 0.00 H new ATOM 0 HA LEU A 61 105.964 107.843 -26.114 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.290 109.252 -27.409 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.483 110.173 -26.514 1.00 0.00 H new ATOM 0 HG LEU A 61 105.907 109.527 -29.421 1.00 0.00 H new ATOM 0 HD11 LEU A 61 104.851 111.722 -29.981 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.686 110.584 -29.262 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.369 111.901 -28.277 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.198 111.633 -29.435 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.848 111.845 -27.703 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.825 110.462 -28.251 1.00 0.00 H new ATOM 964 N VAL A 62 105.819 105.936 -27.707 1.00 0.00 N ATOM 965 CA VAL A 62 104.707 105.095 -27.350 1.00 0.00 C ATOM 966 C VAL A 62 105.167 104.186 -26.201 1.00 0.00 C ATOM 967 O VAL A 62 106.339 103.844 -26.093 1.00 0.00 O ATOM 968 CB VAL A 62 104.297 104.281 -28.575 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.421 103.358 -29.032 1.00 0.00 C ATOM 970 CG2 VAL A 62 103.017 103.492 -28.326 1.00 0.00 C ATOM 0 H VAL A 62 106.712 105.462 -27.571 1.00 0.00 H new ATOM 0 HA VAL A 62 103.844 105.676 -27.025 1.00 0.00 H new ATOM 0 HB VAL A 62 104.097 104.992 -29.377 1.00 0.00 H new ATOM 0 HG11 VAL A 62 105.096 102.793 -29.906 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.298 103.952 -29.290 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.675 102.668 -28.228 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.759 102.926 -29.221 1.00 0.00 H new ATOM 0 HG22 VAL A 62 103.169 102.805 -27.494 1.00 0.00 H new ATOM 0 HG23 VAL A 62 102.207 104.180 -28.085 1.00 0.00 H new ATOM 980 N GLU A 63 104.190 103.813 -25.357 1.00 0.00 N ATOM 981 CA GLU A 63 104.449 102.758 -24.385 1.00 0.00 C ATOM 982 C GLU A 63 103.763 101.460 -24.833 1.00 0.00 C ATOM 983 O GLU A 63 102.577 101.420 -25.127 1.00 0.00 O ATOM 984 CB GLU A 63 103.925 103.170 -23.009 1.00 0.00 C ATOM 985 CG GLU A 63 104.959 103.981 -22.227 1.00 0.00 C ATOM 986 CD GLU A 63 104.307 104.665 -21.021 1.00 0.00 C ATOM 987 OE1 GLU A 63 103.121 104.987 -21.093 1.00 0.00 O ATOM 988 OE2 GLU A 63 104.993 104.869 -20.021 1.00 0.00 O ATOM 0 H GLU A 63 103.252 104.213 -25.332 1.00 0.00 H new ATOM 0 HA GLU A 63 105.525 102.594 -24.320 1.00 0.00 H new ATOM 0 HB2 GLU A 63 103.015 103.759 -23.128 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.656 102.279 -22.441 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.763 103.327 -21.890 1.00 0.00 H new ATOM 0 HG3 GLU A 63 105.409 104.731 -22.878 1.00 0.00 H new ATOM 995 N LYS A 64 104.581 100.393 -24.849 1.00 0.00 N ATOM 996 CA LYS A 64 104.032 99.109 -25.212 1.00 0.00 C ATOM 997 C LYS A 64 103.324 98.504 -23.994 1.00 0.00 C ATOM 998 O LYS A 64 103.905 98.312 -22.933 1.00 0.00 O ATOM 999 CB LYS A 64 105.155 98.194 -25.692 1.00 0.00 C ATOM 1000 CG LYS A 64 104.657 96.760 -25.890 1.00 0.00 C ATOM 1001 CD LYS A 64 105.564 95.872 -26.751 1.00 0.00 C ATOM 1002 CE LYS A 64 106.871 96.536 -27.195 1.00 0.00 C ATOM 1003 NZ LYS A 64 107.868 95.564 -27.628 1.00 0.00 N ATOM 0 H LYS A 64 105.576 100.405 -24.624 1.00 0.00 H new ATOM 0 HA LYS A 64 103.309 99.224 -26.020 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.560 98.573 -26.630 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.969 98.202 -24.967 1.00 0.00 H new ATOM 0 HG2 LYS A 64 104.540 96.294 -24.912 1.00 0.00 H new ATOM 0 HG3 LYS A 64 103.668 96.795 -26.347 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.803 94.968 -26.191 1.00 0.00 H new ATOM 0 HD3 LYS A 64 105.011 95.561 -27.637 1.00 0.00 H new ATOM 0 HE2 LYS A 64 106.665 97.229 -28.011 1.00 0.00 H new ATOM 0 HE3 LYS A 64 107.275 97.124 -26.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 108.734 96.061 -27.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.087 94.918 -26.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 107.495 95.019 -28.432 1.00 0.00 H new ATOM 1017 N SER A 65 102.029 98.221 -24.235 1.00 0.00 N ATOM 1018 CA SER A 65 101.219 97.560 -23.221 1.00 0.00 C ATOM 1019 C SER A 65 100.760 96.201 -23.756 1.00 0.00 C ATOM 1020 O SER A 65 99.885 96.117 -24.607 1.00 0.00 O ATOM 1021 CB SER A 65 99.965 98.415 -22.955 1.00 0.00 C ATOM 1022 OG SER A 65 99.018 97.867 -22.044 1.00 0.00 O ATOM 0 H SER A 65 101.541 98.438 -25.104 1.00 0.00 H new ATOM 0 HA SER A 65 101.802 97.433 -22.309 1.00 0.00 H new ATOM 0 HB2 SER A 65 100.285 99.385 -22.576 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.463 98.594 -23.906 1.00 0.00 H new ATOM 0 HG SER A 65 98.242 97.533 -22.540 1.00 0.00 H new ATOM 1028 N GLY A 66 101.390 95.146 -23.200 1.00 0.00 N ATOM 1029 CA GLY A 66 102.060 94.190 -24.067 1.00 0.00 C ATOM 1030 C GLY A 66 101.229 92.914 -24.213 1.00 0.00 C ATOM 1031 O GLY A 66 101.395 91.946 -23.481 1.00 0.00 O ATOM 0 H GLY A 66 101.443 94.950 -22.200 1.00 0.00 H new ATOM 0 HA2 GLY A 66 102.226 94.636 -25.048 1.00 0.00 H new ATOM 0 HA3 GLY A 66 103.040 93.946 -23.658 1.00 0.00 H new ATOM 1035 N ASP A 67 100.328 92.988 -25.208 1.00 0.00 N ATOM 1036 CA ASP A 67 100.774 92.916 -26.590 1.00 0.00 C ATOM 1037 C ASP A 67 99.827 93.720 -27.487 1.00 0.00 C ATOM 1038 O ASP A 67 99.176 93.188 -28.377 1.00 0.00 O ATOM 1039 CB ASP A 67 100.809 91.456 -27.043 1.00 0.00 C ATOM 1040 CG ASP A 67 101.892 90.701 -26.272 1.00 0.00 C ATOM 1041 OD1 ASP A 67 103.070 90.975 -26.496 1.00 0.00 O ATOM 1042 OD2 ASP A 67 101.546 89.848 -25.457 1.00 0.00 O ATOM 0 H ASP A 67 99.322 93.094 -25.079 1.00 0.00 H new ATOM 0 HA ASP A 67 101.776 93.339 -26.666 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.838 90.990 -26.875 1.00 0.00 H new ATOM 0 HB3 ASP A 67 101.007 91.402 -28.113 1.00 0.00 H new ATOM 1047 N GLY A 68 99.796 95.033 -27.187 1.00 0.00 N ATOM 1048 CA GLY A 68 99.865 96.028 -28.234 1.00 0.00 C ATOM 1049 C GLY A 68 100.532 97.300 -27.717 1.00 0.00 C ATOM 1050 O GLY A 68 100.843 97.443 -26.541 1.00 0.00 O ATOM 0 H GLY A 68 99.725 95.408 -26.241 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.426 95.635 -29.082 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.862 96.256 -28.594 1.00 0.00 H new ATOM 1054 N LEU A 69 100.727 98.210 -28.691 1.00 0.00 N ATOM 1055 CA LEU A 69 101.456 99.433 -28.427 1.00 0.00 C ATOM 1056 C LEU A 69 100.445 100.560 -28.231 1.00 0.00 C ATOM 1057 O LEU A 69 99.450 100.651 -28.940 1.00 0.00 O ATOM 1058 CB LEU A 69 102.384 99.728 -29.612 1.00 0.00 C ATOM 1059 CG LEU A 69 103.355 98.577 -29.918 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.639 99.100 -30.560 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.699 97.710 -28.706 1.00 0.00 C ATOM 0 H LEU A 69 100.390 98.111 -29.649 1.00 0.00 H new ATOM 0 HA LEU A 69 102.066 99.340 -27.528 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.780 99.931 -30.497 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.956 100.632 -29.402 1.00 0.00 H new ATOM 0 HG LEU A 69 102.823 97.934 -30.619 1.00 0.00 H new ATOM 0 HD11 LEU A 69 105.309 98.265 -30.766 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.398 99.611 -31.492 1.00 0.00 H new ATOM 0 HD13 LEU A 69 105.128 99.798 -29.880 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.389 96.921 -29.007 1.00 0.00 H new ATOM 0 HD22 LEU A 69 104.166 98.327 -27.938 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.788 97.263 -28.308 1.00 0.00 H new ATOM 1073 N ILE A 70 100.750 101.408 -27.228 1.00 0.00 N ATOM 1074 CA ILE A 70 99.826 102.500 -26.976 1.00 0.00 C ATOM 1075 C ILE A 70 100.559 103.677 -26.344 1.00 0.00 C ATOM 1076 O ILE A 70 101.526 103.528 -25.612 1.00 0.00 O ATOM 1077 CB ILE A 70 98.730 102.058 -26.014 1.00 0.00 C ATOM 1078 CG1 ILE A 70 99.301 101.506 -24.714 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.819 101.023 -26.652 1.00 0.00 C ATOM 1080 CD1 ILE A 70 98.246 101.533 -23.608 1.00 0.00 C ATOM 0 H ILE A 70 101.571 101.358 -26.625 1.00 0.00 H new ATOM 0 HA ILE A 70 99.391 102.795 -27.931 1.00 0.00 H new ATOM 0 HB ILE A 70 98.146 102.948 -25.780 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.648 100.484 -24.868 1.00 0.00 H new ATOM 0 HG13 ILE A 70 100.167 102.095 -24.412 1.00 0.00 H new ATOM 0 HG21 ILE A 70 97.048 100.729 -25.940 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.350 101.449 -27.539 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.404 100.148 -26.935 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.673 101.135 -22.688 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.919 102.560 -23.442 1.00 0.00 H new ATOM 0 HD13 ILE A 70 97.392 100.924 -23.905 1.00 0.00 H new ATOM 1092 N ILE A 71 100.018 104.862 -26.662 1.00 0.00 N ATOM 1093 CA ILE A 71 100.880 106.025 -26.653 1.00 0.00 C ATOM 1094 C ILE A 71 100.797 106.739 -25.305 1.00 0.00 C ATOM 1095 O ILE A 71 99.771 106.738 -24.634 1.00 0.00 O ATOM 1096 CB ILE A 71 100.476 106.956 -27.783 1.00 0.00 C ATOM 1097 CG1 ILE A 71 99.041 107.450 -27.580 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.692 106.265 -29.131 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.582 108.436 -28.653 1.00 0.00 C ATOM 0 H ILE A 71 99.043 105.026 -26.913 1.00 0.00 H new ATOM 0 HA ILE A 71 101.914 105.712 -26.802 1.00 0.00 H new ATOM 0 HB ILE A 71 101.110 107.843 -27.778 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.367 106.593 -27.572 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.963 107.926 -26.602 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.400 106.939 -29.936 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.744 106.003 -29.241 1.00 0.00 H new ATOM 0 HG23 ILE A 71 100.086 105.360 -29.177 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.557 108.745 -28.448 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.233 109.310 -28.646 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.628 107.957 -29.631 1.00 0.00 H new ATOM 1111 N THR A 72 101.948 107.345 -24.960 1.00 0.00 N ATOM 1112 CA THR A 72 102.016 108.042 -23.693 1.00 0.00 C ATOM 1113 C THR A 72 101.328 109.406 -23.845 1.00 0.00 C ATOM 1114 O THR A 72 101.024 109.859 -24.942 1.00 0.00 O ATOM 1115 CB THR A 72 103.477 108.189 -23.233 1.00 0.00 C ATOM 1116 OG1 THR A 72 104.027 109.353 -23.849 1.00 0.00 O ATOM 1117 CG2 THR A 72 104.295 106.891 -23.463 1.00 0.00 C ATOM 0 H THR A 72 102.800 107.360 -25.521 1.00 0.00 H new ATOM 0 HA THR A 72 101.498 107.469 -22.924 1.00 0.00 H new ATOM 0 HB THR A 72 103.522 108.332 -22.153 1.00 0.00 H new ATOM 0 HG1 THR A 72 104.797 109.099 -24.399 1.00 0.00 H new ATOM 0 HG21 THR A 72 105.320 107.042 -23.124 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.844 106.072 -22.902 1.00 0.00 H new ATOM 0 HG23 THR A 72 104.297 106.646 -24.525 1.00 0.00 H new ATOM 1125 N GLY A 73 101.107 110.031 -22.675 1.00 0.00 N ATOM 1126 CA GLY A 73 100.444 111.327 -22.713 1.00 0.00 C ATOM 1127 C GLY A 73 101.152 112.366 -23.615 1.00 0.00 C ATOM 1128 O GLY A 73 100.516 113.284 -24.118 1.00 0.00 O ATOM 0 H GLY A 73 101.362 109.681 -21.751 1.00 0.00 H new ATOM 0 HA2 GLY A 73 99.421 111.191 -23.065 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.382 111.723 -21.699 1.00 0.00 H new ATOM 1132 N GLU A 74 102.480 112.187 -23.800 1.00 0.00 N ATOM 1133 CA GLU A 74 103.176 113.075 -24.720 1.00 0.00 C ATOM 1134 C GLU A 74 102.548 113.039 -26.124 1.00 0.00 C ATOM 1135 O GLU A 74 102.221 114.074 -26.692 1.00 0.00 O ATOM 1136 CB GLU A 74 104.649 112.685 -24.820 1.00 0.00 C ATOM 1137 CG GLU A 74 105.346 112.734 -23.460 1.00 0.00 C ATOM 1138 CD GLU A 74 105.670 111.328 -22.946 1.00 0.00 C ATOM 1139 OE1 GLU A 74 106.547 110.682 -23.516 1.00 0.00 O ATOM 1140 OE2 GLU A 74 105.041 110.897 -21.980 1.00 0.00 O ATOM 0 H GLU A 74 103.053 111.475 -23.347 1.00 0.00 H new ATOM 0 HA GLU A 74 103.087 114.087 -24.326 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.731 111.680 -25.234 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.156 113.357 -25.512 1.00 0.00 H new ATOM 0 HG2 GLU A 74 106.265 113.314 -23.542 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.708 113.248 -22.741 1.00 0.00 H new ATOM 1147 N ALA A 75 102.369 111.801 -26.632 1.00 0.00 N ATOM 1148 CA ALA A 75 101.689 111.661 -27.914 1.00 0.00 C ATOM 1149 C ALA A 75 100.291 112.290 -27.877 1.00 0.00 C ATOM 1150 O ALA A 75 99.927 113.064 -28.748 1.00 0.00 O ATOM 1151 CB ALA A 75 101.547 110.178 -28.267 1.00 0.00 C ATOM 0 H ALA A 75 102.672 110.932 -26.193 1.00 0.00 H new ATOM 0 HA ALA A 75 102.289 112.176 -28.664 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.038 110.079 -29.226 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.535 109.723 -28.332 1.00 0.00 H new ATOM 0 HB3 ALA A 75 100.966 109.674 -27.494 1.00 0.00 H new ATOM 1157 N GLN A 76 99.546 111.943 -26.813 1.00 0.00 N ATOM 1158 CA GLN A 76 98.155 112.364 -26.765 1.00 0.00 C ATOM 1159 C GLN A 76 97.980 113.894 -26.943 1.00 0.00 C ATOM 1160 O GLN A 76 97.019 114.346 -27.553 1.00 0.00 O ATOM 1161 CB GLN A 76 97.589 111.925 -25.413 1.00 0.00 C ATOM 1162 CG GLN A 76 97.171 110.451 -25.425 1.00 0.00 C ATOM 1163 CD GLN A 76 97.577 109.746 -24.128 1.00 0.00 C ATOM 1164 OE1 GLN A 76 98.415 108.853 -24.112 1.00 0.00 O ATOM 1165 NE2 GLN A 76 96.922 110.211 -23.049 1.00 0.00 N ATOM 0 H GLN A 76 99.872 111.398 -26.015 1.00 0.00 H new ATOM 0 HA GLN A 76 97.621 111.901 -27.595 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.337 112.085 -24.636 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.729 112.545 -25.160 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.092 110.378 -25.558 1.00 0.00 H new ATOM 0 HG3 GLN A 76 97.632 109.947 -26.275 1.00 0.00 H new ATOM 0 HE21 GLN A 76 96.237 110.960 -23.152 1.00 0.00 H new ATOM 0 HE22 GLN A 76 97.110 109.815 -22.128 1.00 0.00 H new ATOM 1174 N ASP A 77 98.945 114.657 -26.390 1.00 0.00 N ATOM 1175 CA ASP A 77 98.950 116.090 -26.634 1.00 0.00 C ATOM 1176 C ASP A 77 99.255 116.415 -28.109 1.00 0.00 C ATOM 1177 O ASP A 77 98.598 117.246 -28.725 1.00 0.00 O ATOM 1178 CB ASP A 77 100.003 116.745 -25.741 1.00 0.00 C ATOM 1179 CG ASP A 77 99.665 118.222 -25.530 1.00 0.00 C ATOM 1180 OD1 ASP A 77 98.569 118.511 -25.050 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.500 119.067 -25.849 1.00 0.00 O ATOM 0 H ASP A 77 99.698 114.311 -25.796 1.00 0.00 H new ATOM 0 HA ASP A 77 97.958 116.479 -26.404 1.00 0.00 H new ATOM 0 HB2 ASP A 77 100.046 116.233 -24.780 1.00 0.00 H new ATOM 0 HB3 ASP A 77 100.988 116.651 -26.197 1.00 0.00 H new ATOM 1186 N ILE A 78 100.280 115.712 -28.634 1.00 0.00 N ATOM 1187 CA ILE A 78 100.724 115.995 -29.984 1.00 0.00 C ATOM 1188 C ILE A 78 99.615 115.702 -31.013 1.00 0.00 C ATOM 1189 O ILE A 78 99.355 116.501 -31.902 1.00 0.00 O ATOM 1190 CB ILE A 78 101.960 115.127 -30.267 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.163 115.490 -29.384 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.358 115.143 -31.747 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.142 116.918 -28.830 1.00 0.00 C ATOM 0 H ILE A 78 100.791 114.972 -28.151 1.00 0.00 H new ATOM 0 HA ILE A 78 100.971 117.053 -30.073 1.00 0.00 H new ATOM 0 HB ILE A 78 101.661 114.111 -30.009 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.207 114.791 -28.549 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.076 115.353 -29.963 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.236 114.515 -31.894 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.534 114.761 -32.350 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.587 116.164 -32.051 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.029 117.084 -28.219 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.132 117.629 -29.656 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.250 117.058 -28.220 1.00 0.00 H new ATOM 1205 N ILE A 79 98.997 114.517 -30.849 1.00 0.00 N ATOM 1206 CA ILE A 79 98.002 114.086 -31.811 1.00 0.00 C ATOM 1207 C ILE A 79 96.772 115.006 -31.816 1.00 0.00 C ATOM 1208 O ILE A 79 96.283 115.404 -32.865 1.00 0.00 O ATOM 1209 CB ILE A 79 97.526 112.682 -31.432 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.661 111.680 -31.199 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.523 112.156 -32.455 1.00 0.00 C ATOM 1212 CD1 ILE A 79 99.914 111.966 -32.025 1.00 0.00 C ATOM 0 H ILE A 79 99.171 113.869 -30.081 1.00 0.00 H new ATOM 0 HA ILE A 79 98.464 114.109 -32.798 1.00 0.00 H new ATOM 0 HB ILE A 79 97.029 112.784 -30.467 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.925 111.684 -30.142 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.303 110.678 -31.434 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.198 111.157 -32.165 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.660 112.821 -32.494 1.00 0.00 H new ATOM 0 HG23 ILE A 79 96.993 112.114 -33.437 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.673 111.215 -31.806 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.666 111.933 -33.086 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.298 112.954 -31.773 1.00 0.00 H new ATOM 1224 N SER A 80 96.296 115.315 -30.593 1.00 0.00 N ATOM 1225 CA SER A 80 95.136 116.189 -30.507 1.00 0.00 C ATOM 1226 C SER A 80 95.395 117.557 -31.166 1.00 0.00 C ATOM 1227 O SER A 80 94.589 118.051 -31.946 1.00 0.00 O ATOM 1228 CB SER A 80 94.778 116.378 -29.026 1.00 0.00 C ATOM 1229 OG SER A 80 94.796 115.194 -28.237 1.00 0.00 O ATOM 0 H SER A 80 96.678 114.989 -29.705 1.00 0.00 H new ATOM 0 HA SER A 80 94.310 115.726 -31.046 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.474 117.095 -28.590 1.00 0.00 H new ATOM 0 HB3 SER A 80 93.784 116.820 -28.964 1.00 0.00 H new ATOM 0 HG SER A 80 95.648 115.135 -27.756 1.00 0.00 H new ATOM 1235 N ASN A 81 96.562 118.131 -30.816 1.00 0.00 N ATOM 1236 CA ASN A 81 96.891 119.422 -31.401 1.00 0.00 C ATOM 1237 C ASN A 81 97.122 119.316 -32.920 1.00 0.00 C ATOM 1238 O ASN A 81 96.637 120.130 -33.696 1.00 0.00 O ATOM 1239 CB ASN A 81 98.142 119.993 -30.729 1.00 0.00 C ATOM 1240 CG ASN A 81 98.080 121.522 -30.734 1.00 0.00 C ATOM 1241 OD1 ASN A 81 97.683 122.156 -29.763 1.00 0.00 O ATOM 1242 ND2 ASN A 81 98.499 122.062 -31.892 1.00 0.00 N ATOM 0 H ASN A 81 97.249 117.742 -30.170 1.00 0.00 H new ATOM 0 HA ASN A 81 96.044 120.088 -31.235 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.216 119.626 -29.705 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.035 119.654 -31.254 1.00 0.00 H new ATOM 0 HD21 ASN A 81 98.502 123.075 -32.011 1.00 0.00 H new ATOM 0 HD22 ASN A 81 98.814 121.459 -32.652 1.00 0.00 H new ATOM 1249 N ALA A 82 97.892 118.277 -33.296 1.00 0.00 N ATOM 1250 CA ALA A 82 98.304 118.172 -34.683 1.00 0.00 C ATOM 1251 C ALA A 82 97.112 117.920 -35.618 1.00 0.00 C ATOM 1252 O ALA A 82 96.975 118.560 -36.651 1.00 0.00 O ATOM 1253 CB ALA A 82 99.309 117.041 -34.838 1.00 0.00 C ATOM 0 H ALA A 82 98.223 117.535 -32.679 1.00 0.00 H new ATOM 0 HA ALA A 82 98.758 119.123 -34.962 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.615 116.967 -35.882 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.182 117.242 -34.217 1.00 0.00 H new ATOM 0 HB3 ALA A 82 98.851 116.102 -34.526 1.00 0.00 H new