USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 HIS : no HD1:sc= -0.171 K(o=-0.54,f=-3!) USER MOD Set 1.2: A 46 ASN : amide:sc= -0.373 K(o=-0.54,f=-0.0039) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -12:sc= 1.34 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 69:sc= 1.23 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.537 K(o=0.54,f=-4.6!) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.507 K(o=-0.51,f=-1.6) USER MOD Single : A 43 GLN : amide:sc= -0.0338 K(o=-0.034,f=-0.91) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 49 SER OG : rot -109:sc= 1.98 USER MOD Single : A 56 CYS SG : rot 180:sc=-0.00964 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 18.196 32.670 14.299 1.00 0.00 N ATOM 2 CA PRO A 1 18.863 33.798 14.982 1.00 0.00 C ATOM 3 C PRO A 1 20.254 33.417 15.520 1.00 0.00 C ATOM 4 O PRO A 1 20.762 32.333 15.223 1.00 0.00 O ATOM 5 CB PRO A 1 17.887 34.282 16.073 1.00 0.00 C ATOM 6 CG PRO A 1 16.584 33.517 15.811 1.00 0.00 C ATOM 7 CD PRO A 1 16.769 32.999 14.393 1.00 0.00 C ATOM 0 H2 PRO A 1 18.406 31.781 14.752 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.498 32.588 13.328 1.00 0.00 H new ATOM 0 HA PRO A 1 19.074 34.611 14.288 1.00 0.00 H new ATOM 0 HB2 PRO A 1 18.274 34.071 17.070 1.00 0.00 H new ATOM 0 HB3 PRO A 1 17.731 35.359 16.013 1.00 0.00 H new ATOM 0 HG2 PRO A 1 16.444 32.703 16.523 1.00 0.00 H new ATOM 0 HG3 PRO A 1 15.712 34.166 15.893 1.00 0.00 H new ATOM 0 HD2 PRO A 1 16.148 32.123 14.207 1.00 0.00 H new ATOM 0 HD3 PRO A 1 16.487 33.752 13.657 1.00 0.00 H new ATOM 15 N LYS A 2 20.879 34.303 16.305 1.00 0.00 N ATOM 16 CA LYS A 2 22.157 34.070 16.993 1.00 0.00 C ATOM 17 C LYS A 2 22.052 34.393 18.486 1.00 0.00 C ATOM 18 O LYS A 2 21.283 35.250 18.907 1.00 0.00 O ATOM 19 CB LYS A 2 23.265 34.870 16.288 1.00 0.00 C ATOM 20 CG LYS A 2 24.674 34.476 16.764 1.00 0.00 C ATOM 21 CD LYS A 2 25.781 35.213 16.002 1.00 0.00 C ATOM 22 CE LYS A 2 25.750 36.715 16.283 1.00 0.00 C ATOM 23 NZ LYS A 2 26.869 37.418 15.625 1.00 0.00 N ATOM 0 H LYS A 2 20.498 35.232 16.485 1.00 0.00 H new ATOM 0 HA LYS A 2 22.415 33.013 16.935 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.192 34.714 15.212 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.110 35.934 16.467 1.00 0.00 H new ATOM 0 HG2 LYS A 2 24.767 34.690 17.829 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.807 33.401 16.642 1.00 0.00 H new ATOM 0 HD2 LYS A 2 26.752 34.808 16.287 1.00 0.00 H new ATOM 0 HD3 LYS A 2 25.665 35.039 14.932 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.804 37.131 15.935 1.00 0.00 H new ATOM 0 HE3 LYS A 2 25.796 36.885 17.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 26.814 38.434 15.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 27.772 37.039 15.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 26.811 37.277 14.596 1.00 0.00 H new ATOM 37 N SER A 3 22.808 33.660 19.287 1.00 0.00 N ATOM 38 CA SER A 3 22.781 33.628 20.748 1.00 0.00 C ATOM 39 C SER A 3 24.166 33.178 21.235 1.00 0.00 C ATOM 40 O SER A 3 24.880 32.499 20.493 1.00 0.00 O ATOM 41 CB SER A 3 21.712 32.614 21.175 1.00 0.00 C ATOM 42 OG SER A 3 21.045 33.007 22.352 1.00 0.00 O ATOM 0 H SER A 3 23.510 33.023 18.909 1.00 0.00 H new ATOM 0 HA SER A 3 22.547 34.605 21.171 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.986 32.494 20.371 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.178 31.641 21.331 1.00 0.00 H new ATOM 0 HG SER A 3 21.530 33.749 22.771 1.00 0.00 H new ATOM 48 N ARG A 4 24.575 33.521 22.461 1.00 0.00 N ATOM 49 CA ARG A 4 25.917 33.206 22.990 1.00 0.00 C ATOM 50 C ARG A 4 25.857 32.280 24.201 1.00 0.00 C ATOM 51 O ARG A 4 25.044 32.475 25.103 1.00 0.00 O ATOM 52 CB ARG A 4 26.708 34.491 23.279 1.00 0.00 C ATOM 53 CG ARG A 4 26.976 35.287 21.995 1.00 0.00 C ATOM 54 CD ARG A 4 27.708 36.601 22.280 1.00 0.00 C ATOM 55 NE ARG A 4 28.050 37.286 21.024 1.00 0.00 N ATOM 56 CZ ARG A 4 29.096 37.060 20.256 1.00 0.00 C ATOM 57 NH1 ARG A 4 30.015 36.183 20.522 1.00 0.00 N ATOM 58 NH2 ARG A 4 29.243 37.738 19.164 1.00 0.00 N ATOM 0 H ARG A 4 23.986 34.028 23.122 1.00 0.00 H new ATOM 0 HA ARG A 4 26.454 32.657 22.217 1.00 0.00 H new ATOM 0 HB2 ARG A 4 26.153 35.111 23.983 1.00 0.00 H new ATOM 0 HB3 ARG A 4 27.655 34.237 23.755 1.00 0.00 H new ATOM 0 HG2 ARG A 4 27.570 34.682 21.310 1.00 0.00 H new ATOM 0 HG3 ARG A 4 26.031 35.499 21.495 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.081 37.247 22.894 1.00 0.00 H new ATOM 0 HD3 ARG A 4 28.615 36.402 22.851 1.00 0.00 H new ATOM 0 HE ARG A 4 27.407 38.015 20.714 1.00 0.00 H new ATOM 0 HH11 ARG A 4 29.952 35.619 21.370 1.00 0.00 H new ATOM 0 HH12 ARG A 4 30.801 36.058 19.884 1.00 0.00 H new ATOM 0 HH21 ARG A 4 28.552 38.441 18.903 1.00 0.00 H new ATOM 0 HH22 ARG A 4 30.050 37.569 18.564 1.00 0.00 H new ATOM 72 N LEU A 5 26.735 31.281 24.181 1.00 0.00 N ATOM 73 CA LEU A 5 26.877 30.178 25.125 1.00 0.00 C ATOM 74 C LEU A 5 28.296 30.221 25.700 1.00 0.00 C ATOM 75 O LEU A 5 29.249 29.778 25.060 1.00 0.00 O ATOM 76 CB LEU A 5 26.576 28.866 24.360 1.00 0.00 C ATOM 77 CG LEU A 5 26.449 27.597 25.224 1.00 0.00 C ATOM 78 CD1 LEU A 5 25.979 26.411 24.390 1.00 0.00 C ATOM 79 CD2 LEU A 5 27.749 27.155 25.896 1.00 0.00 C ATOM 0 H LEU A 5 27.428 31.218 23.435 1.00 0.00 H new ATOM 0 HA LEU A 5 26.183 30.247 25.963 1.00 0.00 H new ATOM 0 HB2 LEU A 5 25.648 28.997 23.803 1.00 0.00 H new ATOM 0 HB3 LEU A 5 27.367 28.706 23.627 1.00 0.00 H new ATOM 0 HG LEU A 5 25.730 27.877 25.994 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.898 25.529 25.025 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.005 26.635 23.955 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.697 26.219 23.593 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.567 26.255 26.483 1.00 0.00 H new ATOM 0 HD22 LEU A 5 28.500 26.945 25.134 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.108 27.949 26.551 1.00 0.00 H new ATOM 91 N PHE A 6 28.444 30.746 26.912 1.00 0.00 N ATOM 92 CA PHE A 6 29.710 30.703 27.637 1.00 0.00 C ATOM 93 C PHE A 6 29.692 29.608 28.708 1.00 0.00 C ATOM 94 O PHE A 6 28.737 29.524 29.478 1.00 0.00 O ATOM 95 CB PHE A 6 30.016 32.077 28.233 1.00 0.00 C ATOM 96 CG PHE A 6 31.388 32.152 28.866 1.00 0.00 C ATOM 97 CD1 PHE A 6 32.525 32.255 28.045 1.00 0.00 C ATOM 98 CD2 PHE A 6 31.536 32.071 30.264 1.00 0.00 C ATOM 99 CE1 PHE A 6 33.807 32.267 28.615 1.00 0.00 C ATOM 100 CE2 PHE A 6 32.821 32.080 30.834 1.00 0.00 C ATOM 101 CZ PHE A 6 33.955 32.170 30.008 1.00 0.00 C ATOM 0 H PHE A 6 27.692 31.212 27.419 1.00 0.00 H new ATOM 0 HA PHE A 6 30.509 30.452 26.940 1.00 0.00 H new ATOM 0 HB2 PHE A 6 29.941 32.832 27.450 1.00 0.00 H new ATOM 0 HB3 PHE A 6 29.262 32.319 28.982 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.411 32.325 26.973 1.00 0.00 H new ATOM 0 HD2 PHE A 6 30.664 32.002 30.897 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.679 32.351 27.983 1.00 0.00 H new ATOM 0 HE2 PHE A 6 32.937 32.018 31.906 1.00 0.00 H new ATOM 0 HZ PHE A 6 34.942 32.165 30.446 1.00 0.00 H new ATOM 111 N ILE A 7 30.766 28.824 28.797 1.00 0.00 N ATOM 112 CA ILE A 7 31.070 27.935 29.924 1.00 0.00 C ATOM 113 C ILE A 7 32.426 28.355 30.490 1.00 0.00 C ATOM 114 O ILE A 7 33.356 28.576 29.713 1.00 0.00 O ATOM 115 CB ILE A 7 31.112 26.426 29.553 1.00 0.00 C ATOM 116 CG1 ILE A 7 30.154 25.963 28.429 1.00 0.00 C ATOM 117 CG2 ILE A 7 30.812 25.605 30.821 1.00 0.00 C ATOM 118 CD1 ILE A 7 30.762 26.119 27.026 1.00 0.00 C ATOM 0 H ILE A 7 31.474 28.787 28.063 1.00 0.00 H new ATOM 0 HA ILE A 7 30.263 28.038 30.650 1.00 0.00 H new ATOM 0 HB ILE A 7 32.113 26.261 29.153 1.00 0.00 H new ATOM 0 HG12 ILE A 7 29.889 24.918 28.591 1.00 0.00 H new ATOM 0 HG13 ILE A 7 29.230 26.538 28.486 1.00 0.00 H new ATOM 0 HG21 ILE A 7 30.837 24.542 30.581 1.00 0.00 H new ATOM 0 HG22 ILE A 7 31.562 25.823 31.581 1.00 0.00 H new ATOM 0 HG23 ILE A 7 29.824 25.868 31.200 1.00 0.00 H new ATOM 0 HD11 ILE A 7 30.045 25.779 26.279 1.00 0.00 H new ATOM 0 HD12 ILE A 7 31.002 27.167 26.848 1.00 0.00 H new ATOM 0 HD13 ILE A 7 31.671 25.522 26.955 1.00 0.00 H new ATOM 130 N GLY A 8 32.537 28.424 31.819 1.00 0.00 N ATOM 131 CA GLY A 8 33.795 28.673 32.524 1.00 0.00 C ATOM 132 C GLY A 8 34.803 27.523 32.404 1.00 0.00 C ATOM 133 O GLY A 8 34.823 26.787 31.422 1.00 0.00 O ATOM 0 H GLY A 8 31.741 28.306 32.445 1.00 0.00 H new ATOM 0 HA2 GLY A 8 34.247 29.584 32.132 1.00 0.00 H new ATOM 0 HA3 GLY A 8 33.582 28.850 33.578 1.00 0.00 H new ATOM 137 N ASN A 9 35.661 27.364 33.410 1.00 0.00 N ATOM 138 CA ASN A 9 36.808 26.454 33.379 1.00 0.00 C ATOM 139 C ASN A 9 36.355 24.985 33.508 1.00 0.00 C ATOM 140 O ASN A 9 36.253 24.431 34.612 1.00 0.00 O ATOM 141 CB ASN A 9 37.815 26.888 34.454 1.00 0.00 C ATOM 142 CG ASN A 9 38.371 28.293 34.273 1.00 0.00 C ATOM 143 OD1 ASN A 9 38.155 28.989 33.286 1.00 0.00 O ATOM 144 ND2 ASN A 9 39.090 28.778 35.254 1.00 0.00 N ATOM 0 H ASN A 9 35.578 27.875 34.289 1.00 0.00 H new ATOM 0 HA ASN A 9 37.313 26.512 32.415 1.00 0.00 H new ATOM 0 HB2 ASN A 9 37.334 26.825 35.430 1.00 0.00 H new ATOM 0 HB3 ASN A 9 38.645 26.181 34.462 1.00 0.00 H new ATOM 0 HD21 ASN A 9 39.464 29.725 35.193 1.00 0.00 H new ATOM 0 HD22 ASN A 9 39.276 28.209 36.080 1.00 0.00 H new ATOM 151 N LEU A 10 36.039 24.386 32.358 1.00 0.00 N ATOM 152 CA LEU A 10 35.375 23.090 32.196 1.00 0.00 C ATOM 153 C LEU A 10 35.860 22.346 30.934 1.00 0.00 C ATOM 154 O LEU A 10 36.320 21.211 31.092 1.00 0.00 O ATOM 155 CB LEU A 10 33.848 23.322 32.255 1.00 0.00 C ATOM 156 CG LEU A 10 32.914 22.096 32.221 1.00 0.00 C ATOM 157 CD1 LEU A 10 32.682 21.545 30.815 1.00 0.00 C ATOM 158 CD2 LEU A 10 33.387 20.957 33.122 1.00 0.00 C ATOM 0 H LEU A 10 36.253 24.819 31.460 1.00 0.00 H new ATOM 0 HA LEU A 10 35.643 22.417 33.011 1.00 0.00 H new ATOM 0 HB2 LEU A 10 33.632 23.877 33.168 1.00 0.00 H new ATOM 0 HB3 LEU A 10 33.578 23.967 31.419 1.00 0.00 H new ATOM 0 HG LEU A 10 31.968 22.481 32.603 1.00 0.00 H new ATOM 0 HD11 LEU A 10 32.016 20.684 30.867 1.00 0.00 H new ATOM 0 HD12 LEU A 10 32.230 22.317 30.192 1.00 0.00 H new ATOM 0 HD13 LEU A 10 33.635 21.241 30.382 1.00 0.00 H new ATOM 0 HD21 LEU A 10 32.687 20.124 33.053 1.00 0.00 H new ATOM 0 HD22 LEU A 10 34.376 20.627 32.803 1.00 0.00 H new ATOM 0 HD23 LEU A 10 33.436 21.306 34.154 1.00 0.00 H new ATOM 170 N PRO A 11 35.847 22.933 29.713 1.00 0.00 N ATOM 171 CA PRO A 11 36.502 22.348 28.545 1.00 0.00 C ATOM 172 C PRO A 11 38.032 22.508 28.638 1.00 0.00 C ATOM 173 O PRO A 11 38.646 23.324 27.949 1.00 0.00 O ATOM 174 CB PRO A 11 35.867 23.029 27.328 1.00 0.00 C ATOM 175 CG PRO A 11 35.552 24.421 27.858 1.00 0.00 C ATOM 176 CD PRO A 11 35.146 24.146 29.305 1.00 0.00 C ATOM 0 HA PRO A 11 36.354 21.271 28.471 1.00 0.00 H new ATOM 0 HB2 PRO A 11 36.550 23.063 26.479 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.969 22.509 26.994 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.417 25.082 27.799 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.748 24.896 27.295 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.415 24.984 29.948 1.00 0.00 H new ATOM 0 HD3 PRO A 11 34.067 24.015 29.386 1.00 0.00 H new ATOM 184 N LEU A 12 38.661 21.737 29.527 1.00 0.00 N ATOM 185 CA LEU A 12 40.112 21.707 29.734 1.00 0.00 C ATOM 186 C LEU A 12 40.822 20.910 28.630 1.00 0.00 C ATOM 187 O LEU A 12 41.909 21.300 28.195 1.00 0.00 O ATOM 188 CB LEU A 12 40.425 21.099 31.119 1.00 0.00 C ATOM 189 CG LEU A 12 40.434 22.059 32.326 1.00 0.00 C ATOM 190 CD1 LEU A 12 41.571 23.075 32.226 1.00 0.00 C ATOM 191 CD2 LEU A 12 39.113 22.796 32.535 1.00 0.00 C ATOM 0 H LEU A 12 38.160 21.096 30.142 1.00 0.00 H new ATOM 0 HA LEU A 12 40.485 22.730 29.692 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.694 20.315 31.317 1.00 0.00 H new ATOM 0 HB3 LEU A 12 41.401 20.617 31.063 1.00 0.00 H new ATOM 0 HG LEU A 12 40.589 21.418 33.194 1.00 0.00 H new ATOM 0 HD11 LEU A 12 41.547 23.735 33.093 1.00 0.00 H new ATOM 0 HD12 LEU A 12 42.526 22.550 32.196 1.00 0.00 H new ATOM 0 HD13 LEU A 12 41.453 23.665 31.317 1.00 0.00 H new ATOM 0 HD21 LEU A 12 39.196 23.452 33.401 1.00 0.00 H new ATOM 0 HD22 LEU A 12 38.884 23.390 31.650 1.00 0.00 H new ATOM 0 HD23 LEU A 12 38.315 22.072 32.703 1.00 0.00 H new ATOM 203 N LYS A 13 40.213 19.813 28.168 1.00 0.00 N ATOM 204 CA LYS A 13 40.753 18.919 27.133 1.00 0.00 C ATOM 205 C LYS A 13 40.687 19.532 25.734 1.00 0.00 C ATOM 206 O LYS A 13 39.913 20.460 25.476 1.00 0.00 O ATOM 207 CB LYS A 13 40.004 17.577 27.159 1.00 0.00 C ATOM 208 CG LYS A 13 40.142 16.817 28.491 1.00 0.00 C ATOM 209 CD LYS A 13 39.224 15.587 28.538 1.00 0.00 C ATOM 210 CE LYS A 13 37.752 16.004 28.634 1.00 0.00 C ATOM 211 NZ LYS A 13 36.833 14.865 28.431 1.00 0.00 N ATOM 0 H LYS A 13 39.302 19.512 28.514 1.00 0.00 H new ATOM 0 HA LYS A 13 41.807 18.759 27.361 1.00 0.00 H new ATOM 0 HB2 LYS A 13 38.947 17.757 26.961 1.00 0.00 H new ATOM 0 HB3 LYS A 13 40.377 16.947 26.351 1.00 0.00 H new ATOM 0 HG2 LYS A 13 41.177 16.504 28.627 1.00 0.00 H new ATOM 0 HG3 LYS A 13 39.900 17.484 29.318 1.00 0.00 H new ATOM 0 HD2 LYS A 13 39.376 14.981 27.645 1.00 0.00 H new ATOM 0 HD3 LYS A 13 39.486 14.965 29.394 1.00 0.00 H new ATOM 0 HE2 LYS A 13 37.566 16.449 29.611 1.00 0.00 H new ATOM 0 HE3 LYS A 13 37.545 16.773 27.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.850 15.195 28.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 36.991 14.455 27.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 37.011 14.142 29.157 1.00 0.00 H new ATOM 225 N ASN A 14 41.458 18.982 24.805 1.00 0.00 N ATOM 226 CA ASN A 14 41.385 19.318 23.385 1.00 0.00 C ATOM 227 C ASN A 14 40.009 18.940 22.812 1.00 0.00 C ATOM 228 O ASN A 14 39.487 17.853 23.059 1.00 0.00 O ATOM 229 CB ASN A 14 42.561 18.659 22.647 1.00 0.00 C ATOM 230 CG ASN A 14 43.906 19.224 23.076 1.00 0.00 C ATOM 231 OD1 ASN A 14 44.017 20.295 23.662 1.00 0.00 O ATOM 232 ND2 ASN A 14 44.979 18.532 22.796 1.00 0.00 N ATOM 0 H ASN A 14 42.164 18.278 25.018 1.00 0.00 H new ATOM 0 HA ASN A 14 41.480 20.395 23.243 1.00 0.00 H new ATOM 0 HB2 ASN A 14 42.546 17.585 22.832 1.00 0.00 H new ATOM 0 HB3 ASN A 14 42.437 18.800 21.573 1.00 0.00 H new ATOM 0 HD21 ASN A 14 45.898 18.884 23.065 1.00 0.00 H new ATOM 0 HD22 ASN A 14 44.898 17.640 22.309 1.00 0.00 H new ATOM 239 N VAL A 15 39.404 19.880 22.087 1.00 0.00 N ATOM 240 CA VAL A 15 38.018 19.833 21.597 1.00 0.00 C ATOM 241 C VAL A 15 37.922 20.605 20.277 1.00 0.00 C ATOM 242 O VAL A 15 38.714 21.522 20.044 1.00 0.00 O ATOM 243 CB VAL A 15 37.059 20.376 22.682 1.00 0.00 C ATOM 244 CG1 VAL A 15 37.377 21.816 23.101 1.00 0.00 C ATOM 245 CG2 VAL A 15 35.581 20.284 22.285 1.00 0.00 C ATOM 0 H VAL A 15 39.885 20.736 21.810 1.00 0.00 H new ATOM 0 HA VAL A 15 37.717 18.805 21.396 1.00 0.00 H new ATOM 0 HB VAL A 15 37.229 19.720 23.536 1.00 0.00 H new ATOM 0 HG11 VAL A 15 36.669 22.138 23.864 1.00 0.00 H new ATOM 0 HG12 VAL A 15 38.389 21.863 23.503 1.00 0.00 H new ATOM 0 HG13 VAL A 15 37.300 22.473 22.234 1.00 0.00 H new ATOM 0 HG21 VAL A 15 34.963 20.681 23.090 1.00 0.00 H new ATOM 0 HG22 VAL A 15 35.411 20.863 21.377 1.00 0.00 H new ATOM 0 HG23 VAL A 15 35.317 19.242 22.105 1.00 0.00 H new ATOM 255 N SER A 16 36.981 20.249 19.403 1.00 0.00 N ATOM 256 CA SER A 16 36.813 20.848 18.066 1.00 0.00 C ATOM 257 C SER A 16 35.345 21.193 17.786 1.00 0.00 C ATOM 258 O SER A 16 34.454 20.720 18.496 1.00 0.00 O ATOM 259 CB SER A 16 37.353 19.892 16.992 1.00 0.00 C ATOM 260 OG SER A 16 38.680 19.487 17.290 1.00 0.00 O ATOM 0 H SER A 16 36.296 19.520 19.603 1.00 0.00 H new ATOM 0 HA SER A 16 37.382 21.778 18.037 1.00 0.00 H new ATOM 0 HB2 SER A 16 36.709 19.016 16.923 1.00 0.00 H new ATOM 0 HB3 SER A 16 37.329 20.382 16.019 1.00 0.00 H new ATOM 0 HG SER A 16 39.000 18.878 16.593 1.00 0.00 H new ATOM 266 N LYS A 17 35.070 21.979 16.735 1.00 0.00 N ATOM 267 CA LYS A 17 33.711 22.351 16.295 1.00 0.00 C ATOM 268 C LYS A 17 32.799 21.136 16.122 1.00 0.00 C ATOM 269 O LYS A 17 31.676 21.160 16.608 1.00 0.00 O ATOM 270 CB LYS A 17 33.783 23.198 15.009 1.00 0.00 C ATOM 271 CG LYS A 17 32.393 23.666 14.541 1.00 0.00 C ATOM 272 CD LYS A 17 32.434 24.796 13.501 1.00 0.00 C ATOM 273 CE LYS A 17 32.994 24.308 12.163 1.00 0.00 C ATOM 274 NZ LYS A 17 32.890 25.343 11.112 1.00 0.00 N ATOM 0 H LYS A 17 35.801 22.385 16.151 1.00 0.00 H new ATOM 0 HA LYS A 17 33.261 22.955 17.083 1.00 0.00 H new ATOM 0 HB2 LYS A 17 34.417 24.067 15.184 1.00 0.00 H new ATOM 0 HB3 LYS A 17 34.253 22.614 14.218 1.00 0.00 H new ATOM 0 HG2 LYS A 17 31.858 22.816 14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 17 31.823 24.003 15.407 1.00 0.00 H new ATOM 0 HD2 LYS A 17 31.429 25.192 13.353 1.00 0.00 H new ATOM 0 HD3 LYS A 17 33.048 25.615 13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 17 34.038 24.022 12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 17 32.455 23.415 11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 33.280 24.974 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 31.891 25.598 10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 33.426 26.186 11.401 1.00 0.00 H new ATOM 288 N GLU A 18 33.293 20.055 15.522 1.00 0.00 N ATOM 289 CA GLU A 18 32.537 18.807 15.376 1.00 0.00 C ATOM 290 C GLU A 18 32.270 18.107 16.717 1.00 0.00 C ATOM 291 O GLU A 18 31.224 17.488 16.868 1.00 0.00 O ATOM 292 CB GLU A 18 33.280 17.873 14.408 1.00 0.00 C ATOM 293 CG GLU A 18 32.528 16.572 14.069 1.00 0.00 C ATOM 294 CD GLU A 18 31.240 16.766 13.251 1.00 0.00 C ATOM 295 OE1 GLU A 18 31.004 17.872 12.711 1.00 0.00 O ATOM 296 OE2 GLU A 18 30.496 15.772 13.055 1.00 0.00 O ATOM 0 H GLU A 18 34.230 20.017 15.122 1.00 0.00 H new ATOM 0 HA GLU A 18 31.558 19.059 14.969 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.479 18.414 13.483 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.247 17.616 14.841 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.198 15.915 13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.278 16.061 14.999 1.00 0.00 H new ATOM 303 N ASP A 19 33.149 18.230 17.717 1.00 0.00 N ATOM 304 CA ASP A 19 32.951 17.603 19.029 1.00 0.00 C ATOM 305 C ASP A 19 31.878 18.321 19.851 1.00 0.00 C ATOM 306 O ASP A 19 30.930 17.694 20.320 1.00 0.00 O ATOM 307 CB ASP A 19 34.270 17.528 19.804 1.00 0.00 C ATOM 308 CG ASP A 19 35.230 16.527 19.179 1.00 0.00 C ATOM 309 OD1 ASP A 19 34.861 15.329 19.059 1.00 0.00 O ATOM 310 OD2 ASP A 19 36.369 16.914 18.841 1.00 0.00 O ATOM 0 H ASP A 19 34.014 18.765 17.641 1.00 0.00 H new ATOM 0 HA ASP A 19 32.597 16.588 18.850 1.00 0.00 H new ATOM 0 HB2 ASP A 19 34.735 18.513 19.828 1.00 0.00 H new ATOM 0 HB3 ASP A 19 34.070 17.245 20.837 1.00 0.00 H new ATOM 315 N LEU A 20 31.959 19.648 19.970 1.00 0.00 N ATOM 316 CA LEU A 20 30.905 20.422 20.634 1.00 0.00 C ATOM 317 C LEU A 20 29.575 20.355 19.857 1.00 0.00 C ATOM 318 O LEU A 20 28.509 20.306 20.466 1.00 0.00 O ATOM 319 CB LEU A 20 31.406 21.845 20.933 1.00 0.00 C ATOM 320 CG LEU A 20 31.736 22.675 19.682 1.00 0.00 C ATOM 321 CD1 LEU A 20 30.535 23.469 19.165 1.00 0.00 C ATOM 322 CD2 LEU A 20 32.883 23.633 19.988 1.00 0.00 C ATOM 0 H LEU A 20 32.737 20.207 19.619 1.00 0.00 H new ATOM 0 HA LEU A 20 30.675 19.973 21.600 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.648 22.370 21.514 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.297 21.780 21.557 1.00 0.00 H new ATOM 0 HG LEU A 20 32.023 21.973 18.899 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.827 24.036 18.281 1.00 0.00 H new ATOM 0 HD12 LEU A 20 29.729 22.782 18.906 1.00 0.00 H new ATOM 0 HD13 LEU A 20 30.192 24.155 19.939 1.00 0.00 H new ATOM 0 HD21 LEU A 20 33.114 24.220 19.099 1.00 0.00 H new ATOM 0 HD22 LEU A 20 32.592 24.302 20.798 1.00 0.00 H new ATOM 0 HD23 LEU A 20 33.763 23.063 20.286 1.00 0.00 H new ATOM 334 N PHE A 21 29.620 20.269 18.522 1.00 0.00 N ATOM 335 CA PHE A 21 28.438 20.051 17.687 1.00 0.00 C ATOM 336 C PHE A 21 27.827 18.661 17.908 1.00 0.00 C ATOM 337 O PHE A 21 26.618 18.566 18.121 1.00 0.00 O ATOM 338 CB PHE A 21 28.811 20.271 16.217 1.00 0.00 C ATOM 339 CG PHE A 21 27.750 19.895 15.206 1.00 0.00 C ATOM 340 CD1 PHE A 21 26.596 20.686 15.051 1.00 0.00 C ATOM 341 CD2 PHE A 21 27.935 18.764 14.389 1.00 0.00 C ATOM 342 CE1 PHE A 21 25.635 20.353 14.080 1.00 0.00 C ATOM 343 CE2 PHE A 21 26.976 18.435 13.420 1.00 0.00 C ATOM 344 CZ PHE A 21 25.824 19.226 13.263 1.00 0.00 C ATOM 0 H PHE A 21 30.486 20.350 17.989 1.00 0.00 H new ATOM 0 HA PHE A 21 27.672 20.771 17.974 1.00 0.00 H new ATOM 0 HB2 PHE A 21 29.062 21.323 16.079 1.00 0.00 H new ATOM 0 HB3 PHE A 21 29.712 19.697 16.000 1.00 0.00 H new ATOM 0 HD1 PHE A 21 26.448 21.551 15.680 1.00 0.00 H new ATOM 0 HD2 PHE A 21 28.815 18.150 14.508 1.00 0.00 H new ATOM 0 HE1 PHE A 21 24.752 20.963 13.962 1.00 0.00 H new ATOM 0 HE2 PHE A 21 27.123 17.569 12.791 1.00 0.00 H new ATOM 0 HZ PHE A 21 25.087 18.968 12.517 1.00 0.00 H new ATOM 354 N ARG A 22 28.618 17.579 17.903 1.00 0.00 N ATOM 355 CA ARG A 22 28.097 16.210 18.050 1.00 0.00 C ATOM 356 C ARG A 22 27.581 15.920 19.460 1.00 0.00 C ATOM 357 O ARG A 22 26.650 15.123 19.587 1.00 0.00 O ATOM 358 CB ARG A 22 29.120 15.165 17.555 1.00 0.00 C ATOM 359 CG ARG A 22 30.214 14.834 18.579 1.00 0.00 C ATOM 360 CD ARG A 22 31.371 14.023 17.988 1.00 0.00 C ATOM 361 NE ARG A 22 32.341 13.628 19.031 1.00 0.00 N ATOM 362 CZ ARG A 22 32.203 12.627 19.887 1.00 0.00 C ATOM 363 NH1 ARG A 22 31.175 11.834 19.892 1.00 0.00 N ATOM 364 NH2 ARG A 22 33.102 12.402 20.793 1.00 0.00 N ATOM 0 H ARG A 22 29.631 17.626 17.798 1.00 0.00 H new ATOM 0 HA ARG A 22 27.223 16.128 17.404 1.00 0.00 H new ATOM 0 HB2 ARG A 22 28.591 14.248 17.294 1.00 0.00 H new ATOM 0 HB3 ARG A 22 29.589 15.534 16.643 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.605 15.762 18.995 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.772 14.276 19.405 1.00 0.00 H new ATOM 0 HD2 ARG A 22 30.979 13.132 17.497 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.877 14.612 17.223 1.00 0.00 H new ATOM 0 HE ARG A 22 33.197 14.178 19.098 1.00 0.00 H new ATOM 0 HH11 ARG A 22 30.425 11.968 19.214 1.00 0.00 H new ATOM 0 HH12 ARG A 22 31.118 11.077 20.574 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.927 12.999 20.852 1.00 0.00 H new ATOM 0 HH22 ARG A 22 32.985 11.628 21.447 1.00 0.00 H new ATOM 378 N ILE A 23 28.115 16.575 20.500 1.00 0.00 N ATOM 379 CA ILE A 23 27.614 16.424 21.878 1.00 0.00 C ATOM 380 C ILE A 23 26.412 17.331 22.181 1.00 0.00 C ATOM 381 O ILE A 23 25.463 16.854 22.804 1.00 0.00 O ATOM 382 CB ILE A 23 28.733 16.499 22.945 1.00 0.00 C ATOM 383 CG1 ILE A 23 29.371 17.894 23.106 1.00 0.00 C ATOM 384 CG2 ILE A 23 29.812 15.441 22.652 1.00 0.00 C ATOM 385 CD1 ILE A 23 28.771 18.699 24.263 1.00 0.00 C ATOM 0 H ILE A 23 28.900 17.220 20.414 1.00 0.00 H new ATOM 0 HA ILE A 23 27.229 15.406 21.944 1.00 0.00 H new ATOM 0 HB ILE A 23 28.250 16.291 23.900 1.00 0.00 H new ATOM 0 HG12 ILE A 23 30.443 17.780 23.268 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.246 18.453 22.179 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.595 15.501 23.408 1.00 0.00 H new ATOM 0 HG22 ILE A 23 29.363 14.448 22.673 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.243 15.624 21.668 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.262 19.670 24.324 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.704 18.842 24.092 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.919 18.158 25.198 1.00 0.00 H new ATOM 397 N PHE A 24 26.374 18.583 21.700 1.00 0.00 N ATOM 398 CA PHE A 24 25.238 19.489 21.937 1.00 0.00 C ATOM 399 C PHE A 24 24.123 19.431 20.877 1.00 0.00 C ATOM 400 O PHE A 24 23.069 20.018 21.108 1.00 0.00 O ATOM 401 CB PHE A 24 25.703 20.938 22.145 1.00 0.00 C ATOM 402 CG PHE A 24 26.421 21.259 23.446 1.00 0.00 C ATOM 403 CD1 PHE A 24 25.863 20.886 24.683 1.00 0.00 C ATOM 404 CD2 PHE A 24 27.600 22.036 23.426 1.00 0.00 C ATOM 405 CE1 PHE A 24 26.478 21.283 25.885 1.00 0.00 C ATOM 406 CE2 PHE A 24 28.208 22.437 24.629 1.00 0.00 C ATOM 407 CZ PHE A 24 27.645 22.059 25.862 1.00 0.00 C ATOM 0 H PHE A 24 27.122 18.994 21.141 1.00 0.00 H new ATOM 0 HA PHE A 24 24.787 19.115 22.856 1.00 0.00 H new ATOM 0 HB2 PHE A 24 26.365 21.202 21.320 1.00 0.00 H new ATOM 0 HB3 PHE A 24 24.830 21.586 22.073 1.00 0.00 H new ATOM 0 HD1 PHE A 24 24.960 20.294 24.710 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.037 22.324 22.481 1.00 0.00 H new ATOM 0 HE1 PHE A 24 26.048 20.988 26.831 1.00 0.00 H new ATOM 0 HE2 PHE A 24 29.107 23.035 24.607 1.00 0.00 H new ATOM 0 HZ PHE A 24 28.110 22.366 26.787 1.00 0.00 H new ATOM 417 N SER A 25 24.279 18.714 19.757 1.00 0.00 N ATOM 418 CA SER A 25 23.223 18.592 18.729 1.00 0.00 C ATOM 419 C SER A 25 21.826 18.220 19.260 1.00 0.00 C ATOM 420 O SER A 25 20.878 18.884 18.846 1.00 0.00 O ATOM 421 CB SER A 25 23.604 17.595 17.633 1.00 0.00 C ATOM 422 OG SER A 25 24.443 18.210 16.674 1.00 0.00 O ATOM 0 H SER A 25 25.133 18.203 19.533 1.00 0.00 H new ATOM 0 HA SER A 25 23.153 19.602 18.326 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.113 16.738 18.074 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.704 17.217 17.148 1.00 0.00 H new ATOM 0 HG SER A 25 25.313 18.408 17.080 1.00 0.00 H new ATOM 428 N PRO A 26 21.638 17.252 20.184 1.00 0.00 N ATOM 429 CA PRO A 26 20.313 16.978 20.761 1.00 0.00 C ATOM 430 C PRO A 26 19.868 18.011 21.818 1.00 0.00 C ATOM 431 O PRO A 26 18.686 18.101 22.160 1.00 0.00 O ATOM 432 CB PRO A 26 20.417 15.560 21.332 1.00 0.00 C ATOM 433 CG PRO A 26 21.891 15.425 21.705 1.00 0.00 C ATOM 434 CD PRO A 26 22.598 16.244 20.626 1.00 0.00 C ATOM 0 HA PRO A 26 19.536 17.058 20.001 1.00 0.00 H new ATOM 0 HB2 PRO A 26 19.771 15.430 22.200 1.00 0.00 H new ATOM 0 HB3 PRO A 26 20.120 14.811 20.599 1.00 0.00 H new ATOM 0 HG2 PRO A 26 22.092 15.815 22.703 1.00 0.00 H new ATOM 0 HG3 PRO A 26 22.215 14.384 21.698 1.00 0.00 H new ATOM 0 HD2 PRO A 26 23.500 16.712 21.021 1.00 0.00 H new ATOM 0 HD3 PRO A 26 22.906 15.609 19.795 1.00 0.00 H new ATOM 442 N TYR A 27 20.785 18.838 22.323 1.00 0.00 N ATOM 443 CA TYR A 27 20.491 19.886 23.300 1.00 0.00 C ATOM 444 C TYR A 27 20.057 21.209 22.648 1.00 0.00 C ATOM 445 O TYR A 27 19.152 21.860 23.173 1.00 0.00 O ATOM 446 CB TYR A 27 21.695 20.101 24.219 1.00 0.00 C ATOM 447 CG TYR A 27 22.015 18.946 25.153 1.00 0.00 C ATOM 448 CD1 TYR A 27 22.778 17.847 24.709 1.00 0.00 C ATOM 449 CD2 TYR A 27 21.563 18.983 26.486 1.00 0.00 C ATOM 450 CE1 TYR A 27 23.081 16.790 25.591 1.00 0.00 C ATOM 451 CE2 TYR A 27 21.880 17.936 27.374 1.00 0.00 C ATOM 452 CZ TYR A 27 22.638 16.837 26.929 1.00 0.00 C ATOM 453 OH TYR A 27 22.945 15.832 27.789 1.00 0.00 O ATOM 0 H TYR A 27 21.770 18.797 22.060 1.00 0.00 H new ATOM 0 HA TYR A 27 19.642 19.544 23.891 1.00 0.00 H new ATOM 0 HB2 TYR A 27 22.571 20.301 23.602 1.00 0.00 H new ATOM 0 HB3 TYR A 27 21.518 20.993 24.819 1.00 0.00 H new ATOM 0 HD1 TYR A 27 23.132 17.815 23.689 1.00 0.00 H new ATOM 0 HD2 TYR A 27 20.970 19.818 26.829 1.00 0.00 H new ATOM 0 HE1 TYR A 27 23.653 15.943 25.242 1.00 0.00 H new ATOM 0 HE2 TYR A 27 21.541 17.977 28.398 1.00 0.00 H new ATOM 0 HH TYR A 27 22.561 16.026 28.670 1.00 0.00 H new ATOM 463 N GLY A 28 20.637 21.595 21.502 1.00 0.00 N ATOM 464 CA GLY A 28 20.328 22.883 20.879 1.00 0.00 C ATOM 465 C GLY A 28 20.698 23.066 19.404 1.00 0.00 C ATOM 466 O GLY A 28 21.179 22.160 18.722 1.00 0.00 O ATOM 0 H GLY A 28 21.319 21.034 20.992 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.257 23.056 20.980 1.00 0.00 H new ATOM 0 HA3 GLY A 28 20.832 23.662 21.451 1.00 0.00 H new ATOM 470 N HIS A 29 20.424 24.269 18.896 1.00 0.00 N ATOM 471 CA HIS A 29 20.293 24.565 17.464 1.00 0.00 C ATOM 472 C HIS A 29 21.583 25.045 16.765 1.00 0.00 C ATOM 473 O HIS A 29 21.630 24.990 15.542 1.00 0.00 O ATOM 474 CB HIS A 29 19.131 25.556 17.272 1.00 0.00 C ATOM 475 CG HIS A 29 17.772 25.056 17.702 1.00 0.00 C ATOM 476 ND1 HIS A 29 17.179 25.227 18.963 1.00 0.00 N ATOM 477 CD2 HIS A 29 16.873 24.444 16.879 1.00 0.00 C ATOM 478 CE1 HIS A 29 15.951 24.683 18.866 1.00 0.00 C ATOM 479 NE2 HIS A 29 15.745 24.217 17.628 1.00 0.00 N ATOM 0 H HIS A 29 20.283 25.090 19.485 1.00 0.00 H new ATOM 0 HA HIS A 29 20.080 23.620 16.965 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.357 26.466 17.828 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.081 25.831 16.218 1.00 0.00 H new ATOM 0 HD2 HIS A 29 17.020 24.188 15.840 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.234 24.630 19.672 1.00 0.00 H new ATOM 0 HE2 HIS A 29 14.891 23.768 17.296 1.00 0.00 H new ATOM 487 N ILE A 30 22.632 25.443 17.500 1.00 0.00 N ATOM 488 CA ILE A 30 23.995 25.805 17.020 1.00 0.00 C ATOM 489 C ILE A 30 24.094 27.006 16.041 1.00 0.00 C ATOM 490 O ILE A 30 23.146 27.325 15.333 1.00 0.00 O ATOM 491 CB ILE A 30 24.757 24.531 16.544 1.00 0.00 C ATOM 492 CG1 ILE A 30 25.985 24.205 17.428 1.00 0.00 C ATOM 493 CG2 ILE A 30 25.139 24.532 15.052 1.00 0.00 C ATOM 494 CD1 ILE A 30 27.114 25.244 17.465 1.00 0.00 C ATOM 0 H ILE A 30 22.557 25.530 18.514 1.00 0.00 H new ATOM 0 HA ILE A 30 24.509 26.212 17.891 1.00 0.00 H new ATOM 0 HB ILE A 30 24.028 23.730 16.666 1.00 0.00 H new ATOM 0 HG12 ILE A 30 25.635 24.048 18.449 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.406 23.259 17.087 1.00 0.00 H new ATOM 0 HG21 ILE A 30 25.665 23.608 14.810 1.00 0.00 H new ATOM 0 HG22 ILE A 30 24.236 24.605 14.445 1.00 0.00 H new ATOM 0 HG23 ILE A 30 25.786 25.384 14.843 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.911 24.892 18.120 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.508 25.389 16.459 1.00 0.00 H new ATOM 0 HD13 ILE A 30 26.726 26.190 17.842 1.00 0.00 H new ATOM 506 N MET A 31 25.249 27.688 16.002 1.00 0.00 N ATOM 507 CA MET A 31 25.587 28.744 15.026 1.00 0.00 C ATOM 508 C MET A 31 27.078 28.756 14.641 1.00 0.00 C ATOM 509 O MET A 31 27.394 28.628 13.459 1.00 0.00 O ATOM 510 CB MET A 31 25.182 30.144 15.545 1.00 0.00 C ATOM 511 CG MET A 31 23.834 30.623 15.006 1.00 0.00 C ATOM 512 SD MET A 31 23.859 31.066 13.248 1.00 0.00 S ATOM 513 CE MET A 31 22.539 29.986 12.642 1.00 0.00 C ATOM 0 H MET A 31 26.001 27.516 16.670 1.00 0.00 H new ATOM 0 HA MET A 31 25.014 28.506 14.130 1.00 0.00 H new ATOM 0 HB2 MET A 31 25.143 30.123 16.634 1.00 0.00 H new ATOM 0 HB3 MET A 31 25.953 30.863 15.268 1.00 0.00 H new ATOM 0 HG2 MET A 31 23.092 29.840 15.162 1.00 0.00 H new ATOM 0 HG3 MET A 31 23.510 31.489 15.584 1.00 0.00 H new ATOM 0 HE1 MET A 31 22.416 30.129 11.568 1.00 0.00 H new ATOM 0 HE2 MET A 31 22.798 28.947 12.843 1.00 0.00 H new ATOM 0 HE3 MET A 31 21.606 30.232 13.150 1.00 0.00 H new ATOM 523 N GLN A 32 27.986 28.945 15.607 1.00 0.00 N ATOM 524 CA GLN A 32 29.432 29.177 15.407 1.00 0.00 C ATOM 525 C GLN A 32 30.208 28.904 16.718 1.00 0.00 C ATOM 526 O GLN A 32 29.588 28.684 17.754 1.00 0.00 O ATOM 527 CB GLN A 32 29.620 30.630 14.902 1.00 0.00 C ATOM 528 CG GLN A 32 31.051 31.054 14.533 1.00 0.00 C ATOM 529 CD GLN A 32 31.727 30.044 13.620 1.00 0.00 C ATOM 530 OE1 GLN A 32 32.526 29.228 14.059 1.00 0.00 O ATOM 531 NE2 GLN A 32 31.374 30.008 12.361 1.00 0.00 N ATOM 0 H GLN A 32 27.727 28.941 16.594 1.00 0.00 H new ATOM 0 HA GLN A 32 29.836 28.491 14.662 1.00 0.00 H new ATOM 0 HB2 GLN A 32 28.987 30.770 14.026 1.00 0.00 H new ATOM 0 HB3 GLN A 32 29.252 31.308 15.672 1.00 0.00 H new ATOM 0 HG2 GLN A 32 31.026 32.027 14.042 1.00 0.00 H new ATOM 0 HG3 GLN A 32 31.640 31.172 15.443 1.00 0.00 H new ATOM 0 HE21 GLN A 32 30.708 30.690 11.998 1.00 0.00 H new ATOM 0 HE22 GLN A 32 31.765 29.298 11.742 1.00 0.00 H new ATOM 540 N ILE A 33 31.546 28.894 16.720 1.00 0.00 N ATOM 541 CA ILE A 33 32.372 28.535 17.889 1.00 0.00 C ATOM 542 C ILE A 33 33.492 29.549 18.168 1.00 0.00 C ATOM 543 O ILE A 33 33.997 30.199 17.253 1.00 0.00 O ATOM 544 CB ILE A 33 32.910 27.084 17.772 1.00 0.00 C ATOM 545 CG1 ILE A 33 34.141 26.895 16.853 1.00 0.00 C ATOM 546 CG2 ILE A 33 31.810 26.128 17.276 1.00 0.00 C ATOM 547 CD1 ILE A 33 35.493 27.059 17.560 1.00 0.00 C ATOM 0 H ILE A 33 32.099 29.138 15.898 1.00 0.00 H new ATOM 0 HA ILE A 33 31.717 28.575 18.760 1.00 0.00 H new ATOM 0 HB ILE A 33 33.231 26.852 18.787 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.097 25.901 16.407 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.083 27.614 16.036 1.00 0.00 H new ATOM 0 HG21 ILE A 33 32.212 25.118 17.202 1.00 0.00 H new ATOM 0 HG22 ILE A 33 30.977 26.137 17.978 1.00 0.00 H new ATOM 0 HG23 ILE A 33 31.461 26.452 16.295 1.00 0.00 H new ATOM 0 HD11 ILE A 33 36.299 26.910 16.842 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.564 28.061 17.982 1.00 0.00 H new ATOM 0 HD13 ILE A 33 35.578 26.322 18.359 1.00 0.00 H new ATOM 559 N ASN A 34 33.903 29.641 19.435 1.00 0.00 N ATOM 560 CA ASN A 34 35.166 30.231 19.894 1.00 0.00 C ATOM 561 C ASN A 34 35.560 29.540 21.217 1.00 0.00 C ATOM 562 O ASN A 34 34.697 29.295 22.062 1.00 0.00 O ATOM 563 CB ASN A 34 34.984 31.754 20.047 1.00 0.00 C ATOM 564 CG ASN A 34 36.220 32.508 20.507 1.00 0.00 C ATOM 565 OD1 ASN A 34 37.347 32.040 20.430 1.00 0.00 O ATOM 566 ND2 ASN A 34 36.038 33.720 20.966 1.00 0.00 N ATOM 0 H ASN A 34 33.337 29.289 20.208 1.00 0.00 H new ATOM 0 HA ASN A 34 35.972 30.077 19.177 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.663 32.164 19.089 1.00 0.00 H new ATOM 0 HB3 ASN A 34 34.179 31.938 20.759 1.00 0.00 H new ATOM 0 HD21 ASN A 34 36.838 34.279 21.262 1.00 0.00 H new ATOM 0 HD22 ASN A 34 35.096 34.106 21.028 1.00 0.00 H new ATOM 573 N ILE A 35 36.832 29.173 21.392 1.00 0.00 N ATOM 574 CA ILE A 35 37.349 28.450 22.571 1.00 0.00 C ATOM 575 C ILE A 35 38.723 29.019 22.927 1.00 0.00 C ATOM 576 O ILE A 35 39.544 29.216 22.030 1.00 0.00 O ATOM 577 CB ILE A 35 37.432 26.927 22.289 1.00 0.00 C ATOM 578 CG1 ILE A 35 36.027 26.379 21.940 1.00 0.00 C ATOM 579 CG2 ILE A 35 38.040 26.164 23.484 1.00 0.00 C ATOM 580 CD1 ILE A 35 35.951 24.868 21.733 1.00 0.00 C ATOM 0 H ILE A 35 37.556 29.373 20.702 1.00 0.00 H new ATOM 0 HA ILE A 35 36.671 28.585 23.413 1.00 0.00 H new ATOM 0 HB ILE A 35 38.093 26.772 21.437 1.00 0.00 H new ATOM 0 HG12 ILE A 35 35.338 26.655 22.738 1.00 0.00 H new ATOM 0 HG13 ILE A 35 35.677 26.872 21.033 1.00 0.00 H new ATOM 0 HG21 ILE A 35 38.083 25.100 23.252 1.00 0.00 H new ATOM 0 HG22 ILE A 35 39.047 26.534 23.678 1.00 0.00 H new ATOM 0 HG23 ILE A 35 37.420 26.318 24.367 1.00 0.00 H new ATOM 0 HD11 ILE A 35 34.926 24.585 21.493 1.00 0.00 H new ATOM 0 HD12 ILE A 35 36.609 24.580 20.913 1.00 0.00 H new ATOM 0 HD13 ILE A 35 36.264 24.360 22.645 1.00 0.00 H new ATOM 592 N LYS A 36 38.995 29.270 24.213 1.00 0.00 N ATOM 593 CA LYS A 36 40.288 29.790 24.693 1.00 0.00 C ATOM 594 C LYS A 36 40.637 29.224 26.068 1.00 0.00 C ATOM 595 O LYS A 36 39.760 29.055 26.911 1.00 0.00 O ATOM 596 CB LYS A 36 40.273 31.330 24.734 1.00 0.00 C ATOM 597 CG LYS A 36 40.290 31.974 23.336 1.00 0.00 C ATOM 598 CD LYS A 36 40.697 33.453 23.355 1.00 0.00 C ATOM 599 CE LYS A 36 39.740 34.325 24.170 1.00 0.00 C ATOM 600 NZ LYS A 36 40.137 35.746 24.094 1.00 0.00 N ATOM 0 H LYS A 36 38.318 29.117 24.961 1.00 0.00 H new ATOM 0 HA LYS A 36 41.057 29.467 23.991 1.00 0.00 H new ATOM 0 HB2 LYS A 36 39.385 31.664 25.270 1.00 0.00 H new ATOM 0 HB3 LYS A 36 41.137 31.680 25.299 1.00 0.00 H new ATOM 0 HG2 LYS A 36 40.980 31.422 22.698 1.00 0.00 H new ATOM 0 HG3 LYS A 36 39.300 31.882 22.889 1.00 0.00 H new ATOM 0 HD2 LYS A 36 41.702 33.542 23.767 1.00 0.00 H new ATOM 0 HD3 LYS A 36 40.738 33.826 22.332 1.00 0.00 H new ATOM 0 HE2 LYS A 36 38.723 34.206 23.796 1.00 0.00 H new ATOM 0 HE3 LYS A 36 39.738 33.998 25.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 39.476 36.322 24.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 41.099 35.858 24.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 40.116 36.060 23.103 1.00 0.00 H new ATOM 614 N ASN A 37 41.921 28.949 26.303 1.00 0.00 N ATOM 615 CA ASN A 37 42.443 28.398 27.558 1.00 0.00 C ATOM 616 C ASN A 37 41.545 27.237 28.070 1.00 0.00 C ATOM 617 O ASN A 37 41.293 26.292 27.315 1.00 0.00 O ATOM 618 CB ASN A 37 42.685 29.600 28.498 1.00 0.00 C ATOM 619 CG ASN A 37 43.371 29.296 29.816 1.00 0.00 C ATOM 620 OD1 ASN A 37 43.701 28.166 30.134 1.00 0.00 O ATOM 621 ND2 ASN A 37 43.547 30.299 30.639 1.00 0.00 N ATOM 0 H ASN A 37 42.649 29.108 25.606 1.00 0.00 H new ATOM 0 HA ASN A 37 43.404 27.895 27.456 1.00 0.00 H new ATOM 0 HB2 ASN A 37 43.284 30.337 27.963 1.00 0.00 H new ATOM 0 HB3 ASN A 37 41.723 30.065 28.713 1.00 0.00 H new ATOM 0 HD21 ASN A 37 43.964 30.139 31.556 1.00 0.00 H new ATOM 0 HD22 ASN A 37 43.267 31.240 30.363 1.00 0.00 H new ATOM 628 N ALA A 38 41.030 27.310 29.300 1.00 0.00 N ATOM 629 CA ALA A 38 40.198 26.294 29.950 1.00 0.00 C ATOM 630 C ALA A 38 38.681 26.398 29.658 1.00 0.00 C ATOM 631 O ALA A 38 37.904 25.653 30.258 1.00 0.00 O ATOM 632 CB ALA A 38 40.482 26.398 31.458 1.00 0.00 C ATOM 0 H ALA A 38 41.190 28.120 29.899 1.00 0.00 H new ATOM 0 HA ALA A 38 40.465 25.320 29.540 1.00 0.00 H new ATOM 0 HB1 ALA A 38 39.885 25.659 31.993 1.00 0.00 H new ATOM 0 HB2 ALA A 38 41.540 26.212 31.643 1.00 0.00 H new ATOM 0 HB3 ALA A 38 40.223 27.397 31.809 1.00 0.00 H new ATOM 638 N PHE A 39 38.243 27.340 28.812 1.00 0.00 N ATOM 639 CA PHE A 39 36.848 27.794 28.738 1.00 0.00 C ATOM 640 C PHE A 39 36.299 27.912 27.303 1.00 0.00 C ATOM 641 O PHE A 39 37.038 28.017 26.321 1.00 0.00 O ATOM 642 CB PHE A 39 36.717 29.099 29.535 1.00 0.00 C ATOM 643 CG PHE A 39 37.611 30.240 29.090 1.00 0.00 C ATOM 644 CD1 PHE A 39 37.229 31.052 28.007 1.00 0.00 C ATOM 645 CD2 PHE A 39 38.807 30.514 29.780 1.00 0.00 C ATOM 646 CE1 PHE A 39 38.032 32.138 27.618 1.00 0.00 C ATOM 647 CE2 PHE A 39 39.617 31.593 29.383 1.00 0.00 C ATOM 648 CZ PHE A 39 39.234 32.401 28.298 1.00 0.00 C ATOM 0 H PHE A 39 38.857 27.815 28.150 1.00 0.00 H new ATOM 0 HA PHE A 39 36.217 27.027 29.187 1.00 0.00 H new ATOM 0 HB2 PHE A 39 35.681 29.433 29.481 1.00 0.00 H new ATOM 0 HB3 PHE A 39 36.928 28.885 30.583 1.00 0.00 H new ATOM 0 HD1 PHE A 39 36.315 30.840 27.472 1.00 0.00 H new ATOM 0 HD2 PHE A 39 39.103 29.895 30.614 1.00 0.00 H new ATOM 0 HE1 PHE A 39 37.726 32.770 26.797 1.00 0.00 H new ATOM 0 HE2 PHE A 39 40.535 31.801 29.913 1.00 0.00 H new ATOM 0 HZ PHE A 39 39.862 33.223 27.987 1.00 0.00 H new ATOM 658 N GLY A 40 34.969 27.878 27.178 1.00 0.00 N ATOM 659 CA GLY A 40 34.263 27.844 25.892 1.00 0.00 C ATOM 660 C GLY A 40 33.333 29.039 25.709 1.00 0.00 C ATOM 661 O GLY A 40 32.595 29.391 26.623 1.00 0.00 O ATOM 0 H GLY A 40 34.341 27.873 27.982 1.00 0.00 H new ATOM 0 HA2 GLY A 40 34.991 27.826 25.081 1.00 0.00 H new ATOM 0 HA3 GLY A 40 33.685 26.923 25.822 1.00 0.00 H new ATOM 665 N PHE A 41 33.338 29.645 24.522 1.00 0.00 N ATOM 666 CA PHE A 41 32.528 30.814 24.164 1.00 0.00 C ATOM 667 C PHE A 41 31.818 30.572 22.822 1.00 0.00 C ATOM 668 O PHE A 41 32.100 31.193 21.798 1.00 0.00 O ATOM 669 CB PHE A 41 33.430 32.059 24.183 1.00 0.00 C ATOM 670 CG PHE A 41 32.752 33.402 23.959 1.00 0.00 C ATOM 671 CD1 PHE A 41 31.377 33.602 24.207 1.00 0.00 C ATOM 672 CD2 PHE A 41 33.536 34.482 23.515 1.00 0.00 C ATOM 673 CE1 PHE A 41 30.799 34.866 24.000 1.00 0.00 C ATOM 674 CE2 PHE A 41 32.957 35.746 23.312 1.00 0.00 C ATOM 675 CZ PHE A 41 31.588 35.940 23.555 1.00 0.00 C ATOM 0 H PHE A 41 33.927 29.325 23.753 1.00 0.00 H new ATOM 0 HA PHE A 41 31.732 30.984 24.889 1.00 0.00 H new ATOM 0 HB2 PHE A 41 33.941 32.093 25.145 1.00 0.00 H new ATOM 0 HB3 PHE A 41 34.197 31.934 23.419 1.00 0.00 H new ATOM 0 HD1 PHE A 41 30.768 32.782 24.557 1.00 0.00 H new ATOM 0 HD2 PHE A 41 34.590 34.339 23.329 1.00 0.00 H new ATOM 0 HE1 PHE A 41 29.745 35.012 24.184 1.00 0.00 H new ATOM 0 HE2 PHE A 41 33.566 36.569 22.969 1.00 0.00 H new ATOM 0 HZ PHE A 41 31.143 36.912 23.400 1.00 0.00 H new ATOM 685 N ILE A 42 30.922 29.591 22.822 1.00 0.00 N ATOM 686 CA ILE A 42 30.234 29.069 21.642 1.00 0.00 C ATOM 687 C ILE A 42 29.047 29.984 21.280 1.00 0.00 C ATOM 688 O ILE A 42 28.526 30.721 22.115 1.00 0.00 O ATOM 689 CB ILE A 42 29.838 27.584 21.875 1.00 0.00 C ATOM 690 CG1 ILE A 42 31.000 26.730 22.455 1.00 0.00 C ATOM 691 CG2 ILE A 42 29.376 26.956 20.549 1.00 0.00 C ATOM 692 CD1 ILE A 42 30.579 25.337 22.947 1.00 0.00 C ATOM 0 H ILE A 42 30.642 29.116 23.680 1.00 0.00 H new ATOM 0 HA ILE A 42 30.898 29.075 20.777 1.00 0.00 H new ATOM 0 HB ILE A 42 29.032 27.587 22.609 1.00 0.00 H new ATOM 0 HG12 ILE A 42 31.767 26.615 21.690 1.00 0.00 H new ATOM 0 HG13 ILE A 42 31.455 27.273 23.284 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.099 25.915 20.716 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.514 27.504 20.168 1.00 0.00 H new ATOM 0 HG23 ILE A 42 30.187 27.004 19.822 1.00 0.00 H new ATOM 0 HD11 ILE A 42 31.450 24.810 23.335 1.00 0.00 H new ATOM 0 HD12 ILE A 42 29.835 25.440 23.737 1.00 0.00 H new ATOM 0 HD13 ILE A 42 30.152 24.772 22.118 1.00 0.00 H new ATOM 704 N GLN A 43 28.593 29.945 20.031 1.00 0.00 N ATOM 705 CA GLN A 43 27.427 30.677 19.536 1.00 0.00 C ATOM 706 C GLN A 43 26.381 29.678 19.038 1.00 0.00 C ATOM 707 O GLN A 43 26.694 28.753 18.287 1.00 0.00 O ATOM 708 CB GLN A 43 27.838 31.661 18.430 1.00 0.00 C ATOM 709 CG GLN A 43 28.929 32.642 18.891 1.00 0.00 C ATOM 710 CD GLN A 43 29.484 33.522 17.779 1.00 0.00 C ATOM 711 OE1 GLN A 43 28.941 33.645 16.692 1.00 0.00 O ATOM 712 NE2 GLN A 43 30.608 34.149 18.021 1.00 0.00 N ATOM 0 H GLN A 43 29.042 29.383 19.308 1.00 0.00 H new ATOM 0 HA GLN A 43 26.991 31.264 20.345 1.00 0.00 H new ATOM 0 HB2 GLN A 43 28.198 31.102 17.566 1.00 0.00 H new ATOM 0 HB3 GLN A 43 26.963 32.223 18.104 1.00 0.00 H new ATOM 0 HG2 GLN A 43 28.521 33.280 19.675 1.00 0.00 H new ATOM 0 HG3 GLN A 43 29.748 32.076 19.335 1.00 0.00 H new ATOM 0 HE21 GLN A 43 31.063 34.048 18.928 1.00 0.00 H new ATOM 0 HE22 GLN A 43 31.028 34.739 17.302 1.00 0.00 H new ATOM 721 N PHE A 44 25.130 29.858 19.443 1.00 0.00 N ATOM 722 CA PHE A 44 24.006 28.988 19.099 1.00 0.00 C ATOM 723 C PHE A 44 22.886 29.785 18.433 1.00 0.00 C ATOM 724 O PHE A 44 22.757 30.987 18.639 1.00 0.00 O ATOM 725 CB PHE A 44 23.506 28.243 20.347 1.00 0.00 C ATOM 726 CG PHE A 44 24.185 26.912 20.623 1.00 0.00 C ATOM 727 CD1 PHE A 44 25.557 26.856 20.930 1.00 0.00 C ATOM 728 CD2 PHE A 44 23.439 25.720 20.595 1.00 0.00 C ATOM 729 CE1 PHE A 44 26.168 25.618 21.179 1.00 0.00 C ATOM 730 CE2 PHE A 44 24.050 24.480 20.849 1.00 0.00 C ATOM 731 CZ PHE A 44 25.419 24.434 21.139 1.00 0.00 C ATOM 0 H PHE A 44 24.858 30.639 20.040 1.00 0.00 H new ATOM 0 HA PHE A 44 24.347 28.244 18.379 1.00 0.00 H new ATOM 0 HB2 PHE A 44 23.642 28.889 21.215 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.435 28.071 20.243 1.00 0.00 H new ATOM 0 HD1 PHE A 44 26.139 27.765 20.974 1.00 0.00 H new ATOM 0 HD2 PHE A 44 22.382 25.758 20.375 1.00 0.00 H new ATOM 0 HE1 PHE A 44 27.224 25.577 21.403 1.00 0.00 H new ATOM 0 HE2 PHE A 44 23.468 23.570 20.821 1.00 0.00 H new ATOM 0 HZ PHE A 44 25.898 23.486 21.332 1.00 0.00 H new ATOM 741 N ASP A 45 22.051 29.113 17.651 1.00 0.00 N ATOM 742 CA ASP A 45 20.713 29.606 17.343 1.00 0.00 C ATOM 743 C ASP A 45 19.786 29.346 18.547 1.00 0.00 C ATOM 744 O ASP A 45 19.977 28.365 19.264 1.00 0.00 O ATOM 745 CB ASP A 45 20.250 28.938 16.042 1.00 0.00 C ATOM 746 CG ASP A 45 18.900 29.427 15.538 1.00 0.00 C ATOM 747 OD1 ASP A 45 18.416 30.492 15.972 1.00 0.00 O ATOM 748 OD2 ASP A 45 18.332 28.765 14.637 1.00 0.00 O ATOM 0 H ASP A 45 22.278 28.219 17.215 1.00 0.00 H new ATOM 0 HA ASP A 45 20.697 30.683 17.178 1.00 0.00 H new ATOM 0 HB2 ASP A 45 20.999 29.113 15.270 1.00 0.00 H new ATOM 0 HB3 ASP A 45 20.199 27.860 16.198 1.00 0.00 H new ATOM 753 N ASN A 46 18.787 30.203 18.761 1.00 0.00 N ATOM 754 CA ASN A 46 17.803 30.192 19.855 1.00 0.00 C ATOM 755 C ASN A 46 18.369 30.215 21.303 1.00 0.00 C ATOM 756 O ASN A 46 19.063 29.283 21.722 1.00 0.00 O ATOM 757 CB ASN A 46 16.833 29.016 19.658 1.00 0.00 C ATOM 758 CG ASN A 46 16.176 28.985 18.292 1.00 0.00 C ATOM 759 OD1 ASN A 46 15.681 29.984 17.781 1.00 0.00 O ATOM 760 ND2 ASN A 46 16.156 27.835 17.666 1.00 0.00 N ATOM 0 H ASN A 46 18.629 30.986 18.127 1.00 0.00 H new ATOM 0 HA ASN A 46 17.286 31.148 19.778 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.374 28.082 19.812 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.058 29.065 20.422 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.726 27.764 16.744 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.571 27.011 18.100 1.00 0.00 H new ATOM 767 N PRO A 47 17.978 31.183 22.158 1.00 0.00 N ATOM 768 CA PRO A 47 18.501 31.294 23.523 1.00 0.00 C ATOM 769 C PRO A 47 18.044 30.161 24.440 1.00 0.00 C ATOM 770 O PRO A 47 18.801 29.755 25.318 1.00 0.00 O ATOM 771 CB PRO A 47 18.023 32.652 24.029 1.00 0.00 C ATOM 772 CG PRO A 47 16.731 32.893 23.253 1.00 0.00 C ATOM 773 CD PRO A 47 17.049 32.271 21.897 1.00 0.00 C ATOM 0 HA PRO A 47 19.588 31.213 23.522 1.00 0.00 H new ATOM 0 HB2 PRO A 47 17.848 32.639 25.105 1.00 0.00 H new ATOM 0 HB3 PRO A 47 18.758 33.433 23.835 1.00 0.00 H new ATOM 0 HG2 PRO A 47 15.875 32.415 23.729 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.498 33.955 23.170 1.00 0.00 H new ATOM 0 HD2 PRO A 47 16.143 31.902 21.416 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.490 33.007 21.225 1.00 0.00 H new ATOM 781 N GLN A 48 16.868 29.570 24.192 1.00 0.00 N ATOM 782 CA GLN A 48 16.435 28.348 24.879 1.00 0.00 C ATOM 783 C GLN A 48 17.410 27.186 24.658 1.00 0.00 C ATOM 784 O GLN A 48 17.625 26.372 25.549 1.00 0.00 O ATOM 785 CB GLN A 48 15.041 27.932 24.402 1.00 0.00 C ATOM 786 CG GLN A 48 14.001 28.980 24.798 1.00 0.00 C ATOM 787 CD GLN A 48 12.560 28.508 24.666 1.00 0.00 C ATOM 788 OE1 GLN A 48 12.241 27.386 24.278 1.00 0.00 O ATOM 789 NE2 GLN A 48 11.620 29.363 24.985 1.00 0.00 N ATOM 0 H GLN A 48 16.194 29.924 23.513 1.00 0.00 H new ATOM 0 HA GLN A 48 16.411 28.575 25.945 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.044 27.806 23.319 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.776 26.967 24.834 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.180 29.282 25.830 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.140 29.866 24.178 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.869 30.298 25.309 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.639 29.094 24.910 1.00 0.00 H new ATOM 798 N SER A 49 18.046 27.145 23.489 1.00 0.00 N ATOM 799 CA SER A 49 18.970 26.088 23.094 1.00 0.00 C ATOM 800 C SER A 49 20.366 26.293 23.696 1.00 0.00 C ATOM 801 O SER A 49 21.012 25.319 24.073 1.00 0.00 O ATOM 802 CB SER A 49 18.940 25.980 21.567 1.00 0.00 C ATOM 803 OG SER A 49 20.139 26.355 20.937 1.00 0.00 O ATOM 0 H SER A 49 17.929 27.864 22.774 1.00 0.00 H new ATOM 0 HA SER A 49 18.657 25.127 23.502 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.705 24.952 21.292 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.132 26.605 21.186 1.00 0.00 H new ATOM 0 HG SER A 49 20.012 27.210 20.475 1.00 0.00 H new ATOM 809 N VAL A 50 20.772 27.554 23.917 1.00 0.00 N ATOM 810 CA VAL A 50 21.927 27.906 24.762 1.00 0.00 C ATOM 811 C VAL A 50 21.736 27.373 26.181 1.00 0.00 C ATOM 812 O VAL A 50 22.549 26.589 26.664 1.00 0.00 O ATOM 813 CB VAL A 50 22.139 29.432 24.827 1.00 0.00 C ATOM 814 CG1 VAL A 50 23.207 29.826 25.849 1.00 0.00 C ATOM 815 CG2 VAL A 50 22.562 30.022 23.485 1.00 0.00 C ATOM 0 H VAL A 50 20.305 28.365 23.511 1.00 0.00 H new ATOM 0 HA VAL A 50 22.806 27.448 24.309 1.00 0.00 H new ATOM 0 HB VAL A 50 21.169 29.832 25.121 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.320 30.910 25.858 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.906 29.484 26.839 1.00 0.00 H new ATOM 0 HG13 VAL A 50 24.157 29.364 25.579 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.697 31.099 23.587 1.00 0.00 H new ATOM 0 HG22 VAL A 50 23.500 29.567 23.167 1.00 0.00 H new ATOM 0 HG23 VAL A 50 21.791 29.822 22.741 1.00 0.00 H new ATOM 825 N ARG A 51 20.669 27.801 26.867 1.00 0.00 N ATOM 826 CA ARG A 51 20.442 27.438 28.274 1.00 0.00 C ATOM 827 C ARG A 51 20.153 25.953 28.454 1.00 0.00 C ATOM 828 O ARG A 51 20.670 25.369 29.394 1.00 0.00 O ATOM 829 CB ARG A 51 19.402 28.359 28.940 1.00 0.00 C ATOM 830 CG ARG A 51 18.060 28.482 28.200 1.00 0.00 C ATOM 831 CD ARG A 51 16.991 27.494 28.649 1.00 0.00 C ATOM 832 NE ARG A 51 16.467 27.836 29.975 1.00 0.00 N ATOM 833 CZ ARG A 51 15.792 27.022 30.754 1.00 0.00 C ATOM 834 NH1 ARG A 51 15.527 25.794 30.416 1.00 0.00 N ATOM 835 NH2 ARG A 51 15.376 27.432 31.914 1.00 0.00 N ATOM 0 H ARG A 51 19.946 28.401 26.470 1.00 0.00 H new ATOM 0 HA ARG A 51 21.376 27.609 28.808 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.209 27.992 29.948 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.835 29.354 29.041 1.00 0.00 H new ATOM 0 HG2 ARG A 51 17.679 29.494 28.334 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.236 28.346 27.133 1.00 0.00 H new ATOM 0 HD2 ARG A 51 16.176 27.485 27.926 1.00 0.00 H new ATOM 0 HD3 ARG A 51 17.410 26.488 28.670 1.00 0.00 H new ATOM 0 HE ARG A 51 16.640 28.780 30.320 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.847 25.432 29.518 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.000 25.193 31.049 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.574 28.385 32.219 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.852 26.801 32.520 1.00 0.00 H new ATOM 849 N ASP A 52 19.435 25.304 27.538 1.00 0.00 N ATOM 850 CA ASP A 52 19.230 23.856 27.629 1.00 0.00 C ATOM 851 C ASP A 52 20.525 23.070 27.376 1.00 0.00 C ATOM 852 O ASP A 52 20.740 22.059 28.037 1.00 0.00 O ATOM 853 CB ASP A 52 18.086 23.404 26.708 1.00 0.00 C ATOM 854 CG ASP A 52 16.707 23.868 27.190 1.00 0.00 C ATOM 855 OD1 ASP A 52 16.515 24.099 28.408 1.00 0.00 O ATOM 856 OD2 ASP A 52 15.766 23.914 26.361 1.00 0.00 O ATOM 0 H ASP A 52 18.991 25.749 26.735 1.00 0.00 H new ATOM 0 HA ASP A 52 18.934 23.630 28.653 1.00 0.00 H new ATOM 0 HB2 ASP A 52 18.262 23.790 25.704 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.093 22.316 26.637 1.00 0.00 H new ATOM 861 N ALA A 53 21.435 23.547 26.517 1.00 0.00 N ATOM 862 CA ALA A 53 22.769 22.962 26.381 1.00 0.00 C ATOM 863 C ALA A 53 23.605 23.094 27.664 1.00 0.00 C ATOM 864 O ALA A 53 24.055 22.077 28.203 1.00 0.00 O ATOM 865 CB ALA A 53 23.455 23.571 25.150 1.00 0.00 C ATOM 0 H ALA A 53 21.266 24.343 25.902 1.00 0.00 H new ATOM 0 HA ALA A 53 22.673 21.887 26.228 1.00 0.00 H new ATOM 0 HB1 ALA A 53 24.451 23.142 25.039 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.865 23.354 24.260 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.537 24.651 25.276 1.00 0.00 H new ATOM 871 N ILE A 54 23.785 24.314 28.189 1.00 0.00 N ATOM 872 CA ILE A 54 24.641 24.501 29.369 1.00 0.00 C ATOM 873 C ILE A 54 24.003 23.879 30.611 1.00 0.00 C ATOM 874 O ILE A 54 24.664 23.129 31.319 1.00 0.00 O ATOM 875 CB ILE A 54 24.993 25.972 29.685 1.00 0.00 C ATOM 876 CG1 ILE A 54 25.367 26.865 28.488 1.00 0.00 C ATOM 877 CG2 ILE A 54 26.209 25.946 30.628 1.00 0.00 C ATOM 878 CD1 ILE A 54 25.082 28.350 28.762 1.00 0.00 C ATOM 0 H ILE A 54 23.361 25.168 27.826 1.00 0.00 H new ATOM 0 HA ILE A 54 25.572 23.997 29.111 1.00 0.00 H new ATOM 0 HB ILE A 54 24.086 26.410 30.101 1.00 0.00 H new ATOM 0 HG12 ILE A 54 26.424 26.736 28.257 1.00 0.00 H new ATOM 0 HG13 ILE A 54 24.807 26.545 27.609 1.00 0.00 H new ATOM 0 HG21 ILE A 54 26.496 26.967 30.880 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.951 25.406 31.539 1.00 0.00 H new ATOM 0 HG23 ILE A 54 27.042 25.447 30.134 1.00 0.00 H new ATOM 0 HD11 ILE A 54 25.362 28.941 27.890 1.00 0.00 H new ATOM 0 HD12 ILE A 54 24.020 28.485 28.967 1.00 0.00 H new ATOM 0 HD13 ILE A 54 25.662 28.679 29.624 1.00 0.00 H new ATOM 890 N GLU A 55 22.734 24.168 30.898 1.00 0.00 N ATOM 891 CA GLU A 55 22.137 23.817 32.187 1.00 0.00 C ATOM 892 C GLU A 55 21.809 22.329 32.310 1.00 0.00 C ATOM 893 O GLU A 55 21.889 21.773 33.411 1.00 0.00 O ATOM 894 CB GLU A 55 20.897 24.668 32.478 1.00 0.00 C ATOM 895 CG GLU A 55 21.194 26.177 32.517 1.00 0.00 C ATOM 896 CD GLU A 55 20.131 26.913 33.331 1.00 0.00 C ATOM 897 OE1 GLU A 55 18.916 26.756 33.068 1.00 0.00 O ATOM 898 OE2 GLU A 55 20.500 27.626 34.294 1.00 0.00 O ATOM 0 H GLU A 55 22.100 24.644 30.256 1.00 0.00 H new ATOM 0 HA GLU A 55 22.895 24.036 32.939 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.143 24.472 31.716 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.471 24.363 33.434 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.178 26.348 32.954 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.222 26.574 31.502 1.00 0.00 H new ATOM 905 N CYS A 56 21.477 21.665 31.199 1.00 0.00 N ATOM 906 CA CYS A 56 21.201 20.234 31.194 1.00 0.00 C ATOM 907 C CYS A 56 22.496 19.401 31.175 1.00 0.00 C ATOM 908 O CYS A 56 22.553 18.393 31.881 1.00 0.00 O ATOM 909 CB CYS A 56 20.252 19.920 30.035 1.00 0.00 C ATOM 910 SG CYS A 56 19.489 18.288 30.232 1.00 0.00 S ATOM 0 H CYS A 56 21.393 22.107 30.283 1.00 0.00 H new ATOM 0 HA CYS A 56 20.704 19.949 32.121 1.00 0.00 H new ATOM 0 HB2 CYS A 56 19.475 20.683 29.981 1.00 0.00 H new ATOM 0 HB3 CYS A 56 20.800 19.956 29.093 1.00 0.00 H new ATOM 0 HG CYS A 56 18.691 18.059 29.232 1.00 0.00 H new ATOM 916 N GLU A 57 23.546 19.799 30.440 1.00 0.00 N ATOM 917 CA GLU A 57 24.811 19.042 30.370 1.00 0.00 C ATOM 918 C GLU A 57 25.898 19.577 31.317 1.00 0.00 C ATOM 919 O GLU A 57 26.324 18.858 32.225 1.00 0.00 O ATOM 920 CB GLU A 57 25.318 18.927 28.917 1.00 0.00 C ATOM 921 CG GLU A 57 25.924 17.553 28.580 1.00 0.00 C ATOM 922 CD GLU A 57 27.148 17.160 29.415 1.00 0.00 C ATOM 923 OE1 GLU A 57 28.187 17.857 29.364 1.00 0.00 O ATOM 924 OE2 GLU A 57 27.100 16.107 30.099 1.00 0.00 O ATOM 0 H GLU A 57 23.545 20.651 29.879 1.00 0.00 H new ATOM 0 HA GLU A 57 24.583 18.037 30.726 1.00 0.00 H new ATOM 0 HB2 GLU A 57 24.491 19.126 28.236 1.00 0.00 H new ATOM 0 HB3 GLU A 57 26.068 19.698 28.741 1.00 0.00 H new ATOM 0 HG2 GLU A 57 25.155 16.792 28.711 1.00 0.00 H new ATOM 0 HG3 GLU A 57 26.204 17.545 27.527 1.00 0.00 H new ATOM 1095 N ILE A 68 30.648 27.791 36.438 1.00 0.00 N ATOM 1096 CA ILE A 68 29.993 29.043 36.022 1.00 0.00 C ATOM 1097 C ILE A 68 29.711 29.055 34.518 1.00 0.00 C ATOM 1098 O ILE A 68 30.353 28.332 33.751 1.00 0.00 O ATOM 1099 CB ILE A 68 30.815 30.287 36.429 1.00 0.00 C ATOM 1100 CG1 ILE A 68 32.174 30.366 35.697 1.00 0.00 C ATOM 1101 CG2 ILE A 68 30.986 30.317 37.952 1.00 0.00 C ATOM 1102 CD1 ILE A 68 32.999 31.615 36.028 1.00 0.00 C ATOM 0 HA ILE A 68 29.039 29.088 36.548 1.00 0.00 H new ATOM 0 HB ILE A 68 30.261 31.173 36.119 1.00 0.00 H new ATOM 0 HG12 ILE A 68 32.760 29.482 35.947 1.00 0.00 H new ATOM 0 HG13 ILE A 68 31.996 30.337 34.622 1.00 0.00 H new ATOM 0 HG21 ILE A 68 31.566 31.195 38.236 1.00 0.00 H new ATOM 0 HG22 ILE A 68 30.006 30.360 38.427 1.00 0.00 H new ATOM 0 HG23 ILE A 68 31.508 29.417 38.277 1.00 0.00 H new ATOM 0 HD11 ILE A 68 33.936 31.590 35.472 1.00 0.00 H new ATOM 0 HD12 ILE A 68 32.436 32.507 35.751 1.00 0.00 H new ATOM 0 HD13 ILE A 68 33.212 31.638 37.097 1.00 0.00 H new ATOM 1114 N LEU A 69 28.766 29.896 34.100 1.00 0.00 N ATOM 1115 CA LEU A 69 28.350 30.035 32.703 1.00 0.00 C ATOM 1116 C LEU A 69 27.828 31.437 32.364 1.00 0.00 C ATOM 1117 O LEU A 69 27.674 32.286 33.248 1.00 0.00 O ATOM 1118 CB LEU A 69 27.342 28.919 32.354 1.00 0.00 C ATOM 1119 CG LEU A 69 25.946 28.824 33.007 1.00 0.00 C ATOM 1120 CD1 LEU A 69 25.985 28.554 34.508 1.00 0.00 C ATOM 1121 CD2 LEU A 69 25.041 30.024 32.719 1.00 0.00 C ATOM 0 H LEU A 69 28.258 30.512 34.734 1.00 0.00 H new ATOM 0 HA LEU A 69 29.231 29.915 32.073 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.179 28.972 31.278 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.844 27.972 32.554 1.00 0.00 H new ATOM 0 HG LEU A 69 25.505 27.953 32.522 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.967 28.501 34.895 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.494 27.608 34.694 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.522 29.360 35.009 1.00 0.00 H new ATOM 0 HD21 LEU A 69 24.080 29.881 33.212 1.00 0.00 H new ATOM 0 HD22 LEU A 69 25.511 30.933 33.096 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.887 30.114 31.644 1.00 0.00 H new ATOM 1133 N GLU A 70 27.519 31.679 31.089 1.00 0.00 N ATOM 1134 CA GLU A 70 26.663 32.794 30.666 1.00 0.00 C ATOM 1135 C GLU A 70 25.794 32.430 29.452 1.00 0.00 C ATOM 1136 O GLU A 70 26.306 32.088 28.383 1.00 0.00 O ATOM 1137 CB GLU A 70 27.506 34.052 30.368 1.00 0.00 C ATOM 1138 CG GLU A 70 26.676 35.341 30.379 1.00 0.00 C ATOM 1139 CD GLU A 70 26.044 35.595 31.748 1.00 0.00 C ATOM 1140 OE1 GLU A 70 26.750 35.556 32.783 1.00 0.00 O ATOM 1141 OE2 GLU A 70 24.810 35.791 31.832 1.00 0.00 O ATOM 0 H GLU A 70 27.856 31.106 30.316 1.00 0.00 H new ATOM 0 HA GLU A 70 25.990 33.010 31.496 1.00 0.00 H new ATOM 0 HB2 GLU A 70 28.303 34.133 31.107 1.00 0.00 H new ATOM 0 HB3 GLU A 70 27.984 33.941 29.394 1.00 0.00 H new ATOM 0 HG2 GLU A 70 27.311 36.185 30.109 1.00 0.00 H new ATOM 0 HG3 GLU A 70 25.893 35.276 29.623 1.00 0.00 H new ATOM 1148 N VAL A 71 24.474 32.569 29.596 1.00 0.00 N ATOM 1149 CA VAL A 71 23.510 32.544 28.483 1.00 0.00 C ATOM 1150 C VAL A 71 23.204 33.974 28.037 1.00 0.00 C ATOM 1151 O VAL A 71 22.853 34.809 28.867 1.00 0.00 O ATOM 1152 CB VAL A 71 22.229 31.754 28.850 1.00 0.00 C ATOM 1153 CG1 VAL A 71 21.674 32.060 30.249 1.00 0.00 C ATOM 1154 CG2 VAL A 71 21.100 31.974 27.828 1.00 0.00 C ATOM 0 H VAL A 71 24.032 32.705 30.505 1.00 0.00 H new ATOM 0 HA VAL A 71 23.957 32.013 27.642 1.00 0.00 H new ATOM 0 HB VAL A 71 22.556 30.714 28.838 1.00 0.00 H new ATOM 0 HG11 VAL A 71 20.778 31.464 30.423 1.00 0.00 H new ATOM 0 HG12 VAL A 71 22.425 31.814 31.000 1.00 0.00 H new ATOM 0 HG13 VAL A 71 21.425 33.119 30.318 1.00 0.00 H new ATOM 0 HG21 VAL A 71 20.222 31.401 28.126 1.00 0.00 H new ATOM 0 HG22 VAL A 71 20.846 33.033 27.789 1.00 0.00 H new ATOM 0 HG23 VAL A 71 21.431 31.644 26.843 1.00 0.00 H new ATOM 1164 N SER A 72 23.304 34.260 26.737 1.00 0.00 N ATOM 1165 CA SER A 72 22.885 35.549 26.163 1.00 0.00 C ATOM 1166 C SER A 72 22.073 35.350 24.883 1.00 0.00 C ATOM 1167 O SER A 72 22.419 34.517 24.040 1.00 0.00 O ATOM 1168 CB SER A 72 24.082 36.461 25.878 1.00 0.00 C ATOM 1169 OG SER A 72 24.915 36.597 27.019 1.00 0.00 O ATOM 0 H SER A 72 23.678 33.607 26.049 1.00 0.00 H new ATOM 0 HA SER A 72 22.255 36.033 26.909 1.00 0.00 H new ATOM 0 HB2 SER A 72 24.662 36.054 25.049 1.00 0.00 H new ATOM 0 HB3 SER A 72 23.727 37.443 25.566 1.00 0.00 H new ATOM 0 HG SER A 72 25.670 37.183 26.805 1.00 0.00 H new