USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 6 SER OG : rot 180:sc= 0.00118 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -29:sc= 0.247 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0368 X(o=-0.037,f=-0.11) USER MOD Single : A 30 ASN : amide:sc= -2.14! C(o=-2.1!,f=-4.5!) USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 2.47 (180deg=2.36) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0.0318 K(o=0.032,f=-0.6) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.15) USER MOD Single : A 79 THR OG1 : rot -24:sc= 0.291 USER MOD Single : A 81 CYS SG : rot -132:sc= -0.726 USER MOD Single : A 86 MET CE :methyl 165:sc= -0.0225 (180deg=-0.32) USER MOD Single : A 87 THR OG1 : rot -77:sc= 1.1 USER MOD Single : A 104 LYS NZ :NH3+ 173:sc= 0.733 (180deg=0.505) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -13.619 -27.796 28.926 1.00 0.00 N ATOM 59 CA GLY A 5 -14.043 -27.369 27.604 1.00 0.00 C ATOM 60 C GLY A 5 -15.548 -27.409 27.439 1.00 0.00 C ATOM 61 O GLY A 5 -16.152 -26.457 26.941 1.00 0.00 O ATOM 0 HA2 GLY A 5 -13.687 -26.355 27.421 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.581 -28.009 26.853 1.00 0.00 H new ATOM 65 N SER A 6 -16.153 -28.501 27.856 1.00 0.00 N ATOM 66 CA SER A 6 -17.591 -28.655 27.741 1.00 0.00 C ATOM 67 C SER A 6 -18.291 -28.273 29.045 1.00 0.00 C ATOM 68 O SER A 6 -17.809 -28.592 30.141 1.00 0.00 O ATOM 69 CB SER A 6 -17.943 -30.085 27.331 1.00 0.00 C ATOM 70 OG SER A 6 -17.282 -31.033 28.160 1.00 0.00 O ATOM 0 H SER A 6 -15.673 -29.296 28.278 1.00 0.00 H new ATOM 0 HA SER A 6 -17.945 -27.977 26.964 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.021 -30.230 27.396 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.661 -30.248 26.291 1.00 0.00 H new ATOM 0 HG SER A 6 -17.525 -31.940 27.878 1.00 0.00 H new ATOM 76 N LEU A 7 -19.416 -27.596 28.921 1.00 0.00 N ATOM 77 CA LEU A 7 -20.190 -27.168 30.077 1.00 0.00 C ATOM 78 C LEU A 7 -21.481 -27.947 30.208 1.00 0.00 C ATOM 79 O LEU A 7 -22.192 -28.164 29.217 1.00 0.00 O ATOM 80 CB LEU A 7 -20.519 -25.673 29.998 1.00 0.00 C ATOM 81 CG LEU A 7 -19.355 -24.705 30.156 1.00 0.00 C ATOM 82 CD1 LEU A 7 -19.813 -23.282 29.856 1.00 0.00 C ATOM 83 CD2 LEU A 7 -18.801 -24.785 31.561 1.00 0.00 C ATOM 0 H LEU A 7 -19.820 -27.327 28.024 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.571 -27.360 30.954 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.993 -25.480 29.036 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.256 -25.446 30.768 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.571 -24.979 29.451 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.973 -22.597 29.972 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.187 -23.228 28.833 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.607 -23.002 30.548 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.969 -24.089 31.664 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.582 -24.525 32.275 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.452 -25.799 31.757 1.00 0.00 H new ATOM 95 N LYS A 8 -21.773 -28.388 31.427 1.00 0.00 N ATOM 96 CA LYS A 8 -23.039 -29.022 31.720 1.00 0.00 C ATOM 97 C LYS A 8 -24.044 -27.936 31.961 1.00 0.00 C ATOM 98 O LYS A 8 -24.094 -27.345 33.041 1.00 0.00 O ATOM 99 CB LYS A 8 -22.941 -29.897 32.957 1.00 0.00 C ATOM 100 CG LYS A 8 -21.984 -31.049 32.816 1.00 0.00 C ATOM 101 CD LYS A 8 -21.849 -31.828 34.113 1.00 0.00 C ATOM 102 CE LYS A 8 -23.130 -32.536 34.482 1.00 0.00 C ATOM 103 NZ LYS A 8 -22.982 -33.328 35.725 1.00 0.00 N ATOM 0 H LYS A 8 -21.143 -28.314 32.226 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.331 -29.657 30.884 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -22.631 -29.281 33.801 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -23.931 -30.287 33.193 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -22.330 -31.715 32.026 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.006 -30.675 32.512 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.046 -32.559 34.015 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.566 -31.148 34.917 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -23.926 -31.803 34.611 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.430 -33.193 33.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.882 -33.799 35.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.239 -34.044 35.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.720 -32.697 36.509 1.00 0.00 H new ATOM 117 N VAL A 9 -24.816 -27.660 30.963 1.00 0.00 N ATOM 118 CA VAL A 9 -25.765 -26.596 31.020 1.00 0.00 C ATOM 119 C VAL A 9 -27.143 -27.151 31.299 1.00 0.00 C ATOM 120 O VAL A 9 -27.716 -27.873 30.485 1.00 0.00 O ATOM 121 CB VAL A 9 -25.713 -25.801 29.697 1.00 0.00 C ATOM 122 CG1 VAL A 9 -26.715 -24.680 29.636 1.00 0.00 C ATOM 123 CG2 VAL A 9 -24.327 -25.248 29.515 1.00 0.00 C ATOM 0 H VAL A 9 -24.807 -28.169 30.079 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.522 -25.913 31.834 1.00 0.00 H new ATOM 0 HB VAL A 9 -25.970 -26.492 28.894 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.625 -24.163 28.681 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.722 -25.086 29.735 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.525 -23.978 30.448 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.280 -24.685 28.583 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.085 -24.590 30.350 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.610 -26.068 29.480 1.00 0.00 H new ATOM 133 N TYR A 10 -27.649 -26.839 32.473 1.00 0.00 N ATOM 134 CA TYR A 10 -28.932 -27.343 32.909 1.00 0.00 C ATOM 135 C TYR A 10 -30.080 -26.515 32.342 1.00 0.00 C ATOM 136 O TYR A 10 -30.152 -25.305 32.531 1.00 0.00 O ATOM 137 CB TYR A 10 -28.982 -27.421 34.457 1.00 0.00 C ATOM 138 CG TYR A 10 -30.354 -27.755 35.035 1.00 0.00 C ATOM 139 CD1 TYR A 10 -30.815 -29.061 35.053 1.00 0.00 C ATOM 140 CD2 TYR A 10 -31.180 -26.756 35.567 1.00 0.00 C ATOM 141 CE1 TYR A 10 -32.055 -29.374 35.564 1.00 0.00 C ATOM 142 CE2 TYR A 10 -32.431 -27.066 36.087 1.00 0.00 C ATOM 143 CZ TYR A 10 -32.858 -28.381 36.083 1.00 0.00 C ATOM 144 OH TYR A 10 -34.095 -28.702 36.584 1.00 0.00 O ATOM 0 H TYR A 10 -27.185 -26.232 33.148 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.055 -28.353 32.519 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.269 -28.174 34.792 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -28.653 -26.466 34.866 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -30.190 -29.849 34.659 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -30.840 -25.731 35.573 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -32.398 -30.398 35.558 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -33.063 -26.288 36.490 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.535 -27.891 36.913 1.00 0.00 H new ATOM 154 N GLY A 11 -30.967 -27.186 31.635 1.00 0.00 N ATOM 155 CA GLY A 11 -32.112 -26.534 31.051 1.00 0.00 C ATOM 156 C GLY A 11 -33.381 -27.271 31.393 1.00 0.00 C ATOM 157 O GLY A 11 -34.357 -27.226 30.647 1.00 0.00 O ATOM 0 H GLY A 11 -30.912 -28.188 31.453 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -32.174 -25.507 31.411 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -31.995 -26.485 29.968 1.00 0.00 H new ATOM 161 N GLY A 12 -33.356 -27.942 32.541 1.00 0.00 N ATOM 162 CA GLY A 12 -34.492 -28.737 32.989 1.00 0.00 C ATOM 163 C GLY A 12 -35.742 -27.919 33.183 1.00 0.00 C ATOM 164 O GLY A 12 -36.846 -28.408 32.967 1.00 0.00 O ATOM 0 H GLY A 12 -32.559 -27.950 33.178 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -34.688 -29.523 32.260 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -34.237 -29.229 33.928 1.00 0.00 H new ATOM 168 N GLU A 13 -35.577 -26.675 33.603 1.00 0.00 N ATOM 169 CA GLU A 13 -36.712 -25.788 33.771 1.00 0.00 C ATOM 170 C GLU A 13 -37.388 -25.523 32.425 1.00 0.00 C ATOM 171 O GLU A 13 -38.621 -25.511 32.327 1.00 0.00 O ATOM 172 CB GLU A 13 -36.285 -24.468 34.445 1.00 0.00 C ATOM 173 CG GLU A 13 -37.408 -23.455 34.547 1.00 0.00 C ATOM 174 CD GLU A 13 -37.045 -22.197 35.318 1.00 0.00 C ATOM 175 OE1 GLU A 13 -36.339 -21.328 34.764 1.00 0.00 O ATOM 176 OE2 GLU A 13 -37.493 -22.060 36.477 1.00 0.00 O ATOM 0 H GLU A 13 -34.674 -26.260 33.832 1.00 0.00 H new ATOM 0 HA GLU A 13 -37.434 -26.276 34.425 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -35.908 -24.684 35.445 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -35.461 -24.031 33.881 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -37.721 -23.174 33.541 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -38.265 -23.927 35.027 1.00 0.00 H new ATOM 183 N ILE A 14 -36.573 -25.311 31.392 1.00 0.00 N ATOM 184 CA ILE A 14 -37.085 -25.064 30.053 1.00 0.00 C ATOM 185 C ILE A 14 -37.729 -26.334 29.474 1.00 0.00 C ATOM 186 O ILE A 14 -38.869 -26.306 29.002 1.00 0.00 O ATOM 187 CB ILE A 14 -35.959 -24.601 29.090 1.00 0.00 C ATOM 188 CG1 ILE A 14 -35.198 -23.396 29.674 1.00 0.00 C ATOM 189 CG2 ILE A 14 -36.541 -24.251 27.723 1.00 0.00 C ATOM 190 CD1 ILE A 14 -36.070 -22.180 29.941 1.00 0.00 C ATOM 0 H ILE A 14 -35.555 -25.306 31.461 1.00 0.00 H new ATOM 0 HA ILE A 14 -37.831 -24.274 30.140 1.00 0.00 H new ATOM 0 HB ILE A 14 -35.253 -25.423 28.970 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -34.721 -23.699 30.606 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -34.402 -23.114 28.985 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -35.740 -23.928 27.058 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -37.031 -25.128 27.301 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -37.268 -23.446 27.832 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -35.458 -21.376 30.351 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -36.527 -21.848 29.009 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -36.851 -22.442 30.655 1.00 0.00 H new ATOM 202 N VAL A 15 -37.000 -27.446 29.549 1.00 0.00 N ATOM 203 CA VAL A 15 -37.460 -28.729 29.007 1.00 0.00 C ATOM 204 C VAL A 15 -37.148 -29.855 29.997 1.00 0.00 C ATOM 205 O VAL A 15 -35.989 -30.219 30.183 1.00 0.00 O ATOM 206 CB VAL A 15 -36.784 -29.053 27.639 1.00 0.00 C ATOM 207 CG1 VAL A 15 -37.293 -30.365 27.087 1.00 0.00 C ATOM 208 CG2 VAL A 15 -37.009 -27.934 26.633 1.00 0.00 C ATOM 0 H VAL A 15 -36.078 -27.486 29.984 1.00 0.00 H new ATOM 0 HA VAL A 15 -38.536 -28.652 28.850 1.00 0.00 H new ATOM 0 HB VAL A 15 -35.712 -29.141 27.814 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -36.808 -30.571 26.133 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -37.067 -31.167 27.789 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -38.371 -30.304 26.940 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -36.526 -28.190 25.690 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -38.078 -27.802 26.469 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -36.584 -27.007 27.019 1.00 0.00 H new ATOM 218 N PRO A 16 -38.180 -30.430 30.633 1.00 0.00 N ATOM 219 CA PRO A 16 -38.003 -31.469 31.665 1.00 0.00 C ATOM 220 C PRO A 16 -37.402 -32.783 31.135 1.00 0.00 C ATOM 221 O PRO A 16 -36.732 -33.507 31.868 1.00 0.00 O ATOM 222 CB PRO A 16 -39.422 -31.702 32.189 1.00 0.00 C ATOM 223 CG PRO A 16 -40.321 -31.238 31.093 1.00 0.00 C ATOM 224 CD PRO A 16 -39.602 -30.121 30.400 1.00 0.00 C ATOM 0 HA PRO A 16 -37.292 -31.143 32.424 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -39.590 -32.754 32.418 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -39.600 -31.143 33.108 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -40.538 -32.050 30.399 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -41.276 -30.896 31.492 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -39.837 -30.091 29.336 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -39.875 -29.150 30.814 1.00 0.00 H new ATOM 232 N THR A 17 -37.624 -33.074 29.861 1.00 0.00 N ATOM 233 CA THR A 17 -37.126 -34.317 29.276 1.00 0.00 C ATOM 234 C THR A 17 -35.634 -34.204 28.913 1.00 0.00 C ATOM 235 O THR A 17 -34.992 -35.192 28.542 1.00 0.00 O ATOM 236 CB THR A 17 -37.955 -34.734 28.023 1.00 0.00 C ATOM 237 OG1 THR A 17 -37.593 -36.061 27.590 1.00 0.00 O ATOM 238 CG2 THR A 17 -37.743 -33.758 26.879 1.00 0.00 C ATOM 0 H THR A 17 -38.140 -32.475 29.216 1.00 0.00 H new ATOM 0 HA THR A 17 -37.240 -35.094 30.032 1.00 0.00 H new ATOM 0 HB THR A 17 -39.007 -34.722 28.308 1.00 0.00 H new ATOM 0 HG1 THR A 17 -36.659 -36.239 27.827 1.00 0.00 H new ATOM 0 HG21 THR A 17 -38.333 -34.073 26.018 1.00 0.00 H new ATOM 0 HG22 THR A 17 -38.056 -32.761 27.189 1.00 0.00 H new ATOM 0 HG23 THR A 17 -36.687 -33.739 26.608 1.00 0.00 H new ATOM 246 N ARG A 18 -35.087 -33.004 29.035 1.00 0.00 N ATOM 247 CA ARG A 18 -33.686 -32.771 28.738 1.00 0.00 C ATOM 248 C ARG A 18 -33.089 -31.819 29.772 1.00 0.00 C ATOM 249 O ARG A 18 -32.922 -30.628 29.510 1.00 0.00 O ATOM 250 CB ARG A 18 -33.525 -32.202 27.323 1.00 0.00 C ATOM 251 CG ARG A 18 -32.080 -32.118 26.840 1.00 0.00 C ATOM 252 CD ARG A 18 -32.011 -31.593 25.413 1.00 0.00 C ATOM 253 NE ARG A 18 -32.805 -32.419 24.495 1.00 0.00 N ATOM 254 CZ ARG A 18 -33.527 -31.944 23.483 1.00 0.00 C ATOM 255 NH1 ARG A 18 -33.535 -30.643 23.217 1.00 0.00 N ATOM 256 NH2 ARG A 18 -34.243 -32.773 22.736 1.00 0.00 N ATOM 0 H ARG A 18 -35.597 -32.174 29.339 1.00 0.00 H new ATOM 0 HA ARG A 18 -33.152 -33.720 28.784 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -34.092 -32.821 26.628 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -33.964 -31.205 27.293 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -31.510 -31.464 27.500 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -31.618 -33.104 26.891 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -32.373 -30.565 25.385 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -30.973 -31.574 25.081 1.00 0.00 H new ATOM 0 HE ARG A 18 -32.803 -33.428 24.643 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -32.986 -30.002 23.790 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -34.090 -30.285 22.440 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -34.240 -33.773 22.937 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -34.797 -32.411 21.960 1.00 0.00 H new ATOM 270 N PRO A 19 -32.797 -32.335 30.984 1.00 0.00 N ATOM 271 CA PRO A 19 -32.251 -31.527 32.078 1.00 0.00 C ATOM 272 C PRO A 19 -30.884 -30.931 31.763 1.00 0.00 C ATOM 273 O PRO A 19 -30.566 -29.842 32.213 1.00 0.00 O ATOM 274 CB PRO A 19 -32.138 -32.526 33.243 1.00 0.00 C ATOM 275 CG PRO A 19 -32.110 -33.865 32.593 1.00 0.00 C ATOM 276 CD PRO A 19 -32.986 -33.742 31.387 1.00 0.00 C ATOM 0 HA PRO A 19 -32.887 -30.666 32.286 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -31.235 -32.351 33.828 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -32.983 -32.435 33.926 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -31.094 -34.144 32.313 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -32.478 -34.637 33.269 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -32.686 -34.432 30.598 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -34.028 -33.959 31.621 1.00 0.00 H new ATOM 284 N TYR A 20 -30.086 -31.635 30.981 1.00 0.00 N ATOM 285 CA TYR A 20 -28.742 -31.173 30.683 1.00 0.00 C ATOM 286 C TYR A 20 -28.423 -31.176 29.208 1.00 0.00 C ATOM 287 O TYR A 20 -28.816 -32.079 28.468 1.00 0.00 O ATOM 288 CB TYR A 20 -27.692 -31.996 31.429 1.00 0.00 C ATOM 289 CG TYR A 20 -27.561 -31.651 32.891 1.00 0.00 C ATOM 290 CD1 TYR A 20 -28.350 -32.269 33.851 1.00 0.00 C ATOM 291 CD2 TYR A 20 -26.636 -30.703 33.308 1.00 0.00 C ATOM 292 CE1 TYR A 20 -28.225 -31.952 35.184 1.00 0.00 C ATOM 293 CE2 TYR A 20 -26.499 -30.376 34.638 1.00 0.00 C ATOM 294 CZ TYR A 20 -27.304 -31.005 35.577 1.00 0.00 C ATOM 295 OH TYR A 20 -27.178 -30.699 36.911 1.00 0.00 O ATOM 0 H TYR A 20 -30.341 -32.521 30.544 1.00 0.00 H new ATOM 0 HA TYR A 20 -28.709 -30.139 31.025 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -27.943 -33.053 31.338 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -26.725 -31.855 30.946 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -29.074 -33.011 33.547 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -26.012 -30.213 32.575 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -28.846 -32.443 35.919 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -25.773 -29.638 34.947 1.00 0.00 H new ATOM 0 HH TYR A 20 -26.486 -30.014 37.026 1.00 0.00 H new ATOM 305 N VAL A 21 -27.706 -30.157 28.804 1.00 0.00 N ATOM 306 CA VAL A 21 -27.195 -30.037 27.467 1.00 0.00 C ATOM 307 C VAL A 21 -25.726 -29.684 27.567 1.00 0.00 C ATOM 308 O VAL A 21 -25.275 -29.143 28.580 1.00 0.00 O ATOM 309 CB VAL A 21 -27.962 -28.971 26.639 1.00 0.00 C ATOM 310 CG1 VAL A 21 -27.767 -27.570 27.200 1.00 0.00 C ATOM 311 CG2 VAL A 21 -27.585 -29.023 25.163 1.00 0.00 C ATOM 0 H VAL A 21 -27.458 -29.374 29.409 1.00 0.00 H new ATOM 0 HA VAL A 21 -27.331 -30.983 26.943 1.00 0.00 H new ATOM 0 HB VAL A 21 -29.021 -29.215 26.720 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -28.320 -26.854 26.592 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -28.134 -27.534 28.226 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -26.707 -27.316 27.185 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -28.143 -28.262 24.618 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -26.516 -28.838 25.054 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -27.825 -30.007 24.761 1.00 0.00 H new ATOM 321 N SER A 22 -24.985 -30.010 26.560 1.00 0.00 N ATOM 322 CA SER A 22 -23.551 -29.785 26.583 1.00 0.00 C ATOM 323 C SER A 22 -23.156 -28.716 25.569 1.00 0.00 C ATOM 324 O SER A 22 -23.475 -28.828 24.382 1.00 0.00 O ATOM 325 CB SER A 22 -22.817 -31.090 26.284 1.00 0.00 C ATOM 326 OG SER A 22 -23.217 -32.111 27.190 1.00 0.00 O ATOM 0 H SER A 22 -25.336 -30.435 25.702 1.00 0.00 H new ATOM 0 HA SER A 22 -23.270 -29.435 27.576 1.00 0.00 H new ATOM 0 HB2 SER A 22 -23.024 -31.403 25.261 1.00 0.00 H new ATOM 0 HB3 SER A 22 -21.741 -30.933 26.358 1.00 0.00 H new ATOM 0 HG SER A 22 -22.737 -32.940 26.981 1.00 0.00 H new ATOM 332 N ILE A 23 -22.478 -27.682 26.038 1.00 0.00 N ATOM 333 CA ILE A 23 -22.045 -26.601 25.165 1.00 0.00 C ATOM 334 C ILE A 23 -20.536 -26.407 25.299 1.00 0.00 C ATOM 335 O ILE A 23 -19.916 -26.944 26.226 1.00 0.00 O ATOM 336 CB ILE A 23 -22.742 -25.263 25.498 1.00 0.00 C ATOM 337 CG1 ILE A 23 -22.290 -24.749 26.856 1.00 0.00 C ATOM 338 CG2 ILE A 23 -24.248 -25.439 25.466 1.00 0.00 C ATOM 339 CD1 ILE A 23 -22.735 -23.340 27.142 1.00 0.00 C ATOM 0 H ILE A 23 -22.215 -27.567 27.017 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.315 -26.883 24.147 1.00 0.00 H new ATOM 0 HB ILE A 23 -22.462 -24.525 24.746 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.677 -25.409 27.633 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.202 -24.796 26.910 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -24.730 -24.490 25.702 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -24.555 -25.765 24.472 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -24.542 -26.188 26.201 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -22.378 -23.038 28.127 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -22.326 -22.669 26.386 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -23.824 -23.291 27.120 1.00 0.00 H new ATOM 351 N LEU A 24 -19.953 -25.660 24.385 1.00 0.00 N ATOM 352 CA LEU A 24 -18.531 -25.402 24.401 1.00 0.00 C ATOM 353 C LEU A 24 -18.247 -23.938 24.729 1.00 0.00 C ATOM 354 O LEU A 24 -18.881 -23.035 24.189 1.00 0.00 O ATOM 355 CB LEU A 24 -17.895 -25.771 23.052 1.00 0.00 C ATOM 356 CG LEU A 24 -17.925 -27.255 22.655 1.00 0.00 C ATOM 357 CD1 LEU A 24 -19.308 -27.680 22.188 1.00 0.00 C ATOM 358 CD2 LEU A 24 -16.893 -27.535 21.576 1.00 0.00 C ATOM 0 H LEU A 24 -20.451 -25.216 23.613 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.088 -26.025 25.178 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -18.398 -25.200 22.272 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -16.855 -25.444 23.066 1.00 0.00 H new ATOM 0 HG LEU A 24 -17.679 -27.841 23.541 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.292 -28.735 21.915 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -20.027 -27.524 22.992 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.598 -27.086 21.321 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -16.927 -28.590 21.306 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -17.111 -26.928 20.697 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -15.899 -27.288 21.950 1.00 0.00 H new ATOM 370 N ALA A 25 -17.294 -23.717 25.615 1.00 0.00 N ATOM 371 CA ALA A 25 -16.899 -22.372 26.019 1.00 0.00 C ATOM 372 C ALA A 25 -15.415 -22.354 26.341 1.00 0.00 C ATOM 373 O ALA A 25 -14.801 -23.412 26.482 1.00 0.00 O ATOM 374 CB ALA A 25 -17.710 -21.917 27.229 1.00 0.00 C ATOM 0 H ALA A 25 -16.770 -24.460 26.077 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.096 -21.682 25.198 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -17.402 -20.912 27.516 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -18.770 -21.913 26.976 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -17.538 -22.601 28.060 1.00 0.00 H new ATOM 380 N GLU A 26 -14.829 -21.170 26.437 1.00 0.00 N ATOM 381 CA GLU A 26 -13.407 -21.064 26.751 1.00 0.00 C ATOM 382 C GLU A 26 -13.223 -20.501 28.168 1.00 0.00 C ATOM 383 O GLU A 26 -12.658 -21.165 29.037 1.00 0.00 O ATOM 384 CB GLU A 26 -12.707 -20.202 25.694 1.00 0.00 C ATOM 385 CG GLU A 26 -12.830 -20.783 24.288 1.00 0.00 C ATOM 386 CD GLU A 26 -12.410 -19.824 23.192 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.344 -19.180 23.322 1.00 0.00 O ATOM 388 OE2 GLU A 26 -13.149 -19.722 22.178 1.00 0.00 O ATOM 0 H GLU A 26 -15.306 -20.278 26.304 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.948 -22.052 26.730 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.134 -19.199 25.707 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.652 -20.103 25.951 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.221 -21.684 24.223 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.864 -21.084 24.118 1.00 0.00 H new ATOM 395 N ILE A 27 -13.697 -19.270 28.370 1.00 0.00 N ATOM 396 CA ILE A 27 -13.755 -18.610 29.681 1.00 0.00 C ATOM 397 C ILE A 27 -14.076 -17.110 29.580 1.00 0.00 C ATOM 398 O ILE A 27 -14.891 -16.592 30.346 1.00 0.00 O ATOM 399 CB ILE A 27 -12.507 -18.818 30.569 1.00 0.00 C ATOM 400 CG1 ILE A 27 -12.797 -18.221 31.945 1.00 0.00 C ATOM 401 CG2 ILE A 27 -11.259 -18.188 29.946 1.00 0.00 C ATOM 402 CD1 ILE A 27 -11.884 -18.679 33.032 1.00 0.00 C ATOM 0 H ILE A 27 -14.059 -18.690 27.613 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.582 -19.118 30.178 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.300 -19.884 30.661 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.738 -17.135 31.874 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.822 -18.467 32.223 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.402 -18.355 30.599 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.068 -18.643 28.974 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.416 -17.117 29.821 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.167 -18.202 33.970 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.959 -19.761 33.138 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.858 -18.409 32.783 1.00 0.00 H new ATOM 414 N ASN A 28 -13.443 -16.424 28.634 1.00 0.00 N ATOM 415 CA ASN A 28 -13.660 -14.986 28.455 1.00 0.00 C ATOM 416 C ASN A 28 -15.003 -14.746 27.780 1.00 0.00 C ATOM 417 O ASN A 28 -15.510 -13.620 27.720 1.00 0.00 O ATOM 418 CB ASN A 28 -12.523 -14.376 27.623 1.00 0.00 C ATOM 419 CG ASN A 28 -12.607 -12.859 27.525 1.00 0.00 C ATOM 420 OD1 ASN A 28 -13.215 -12.319 26.606 1.00 0.00 O ATOM 421 ND2 ASN A 28 -11.988 -12.169 28.463 1.00 0.00 N ATOM 0 H ASN A 28 -12.777 -16.835 27.980 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.667 -14.503 29.432 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.566 -14.654 28.066 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.545 -14.801 26.620 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.004 -11.149 28.441 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.493 -12.655 29.211 1.00 0.00 H new ATOM 428 N GLU A 29 -15.566 -15.824 27.293 1.00 0.00 N ATOM 429 CA GLU A 29 -16.831 -15.821 26.596 1.00 0.00 C ATOM 430 C GLU A 29 -17.917 -15.223 27.443 1.00 0.00 C ATOM 431 O GLU A 29 -18.046 -15.530 28.629 1.00 0.00 O ATOM 432 CB GLU A 29 -17.199 -17.245 26.184 1.00 0.00 C ATOM 433 CG GLU A 29 -16.426 -17.753 24.986 1.00 0.00 C ATOM 434 CD GLU A 29 -14.938 -17.604 25.149 1.00 0.00 C ATOM 435 OE1 GLU A 29 -14.428 -17.969 26.217 1.00 0.00 O ATOM 436 OE2 GLU A 29 -14.281 -17.088 24.222 1.00 0.00 O ATOM 0 H GLU A 29 -15.148 -16.751 27.372 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.729 -15.205 25.703 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -17.025 -17.914 27.027 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -18.265 -17.285 25.960 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.666 -18.804 24.823 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.746 -17.211 24.096 1.00 0.00 H new ATOM 443 N ASN A 30 -18.690 -14.376 26.835 1.00 0.00 N ATOM 444 CA ASN A 30 -19.753 -13.713 27.529 1.00 0.00 C ATOM 445 C ASN A 30 -20.980 -14.590 27.549 1.00 0.00 C ATOM 446 O ASN A 30 -21.113 -15.518 26.730 1.00 0.00 O ATOM 447 CB ASN A 30 -20.055 -12.328 26.902 1.00 0.00 C ATOM 448 CG ASN A 30 -20.667 -12.389 25.502 1.00 0.00 C ATOM 449 OD1 ASN A 30 -20.510 -13.367 24.766 1.00 0.00 O ATOM 450 ND2 ASN A 30 -21.354 -11.327 25.122 1.00 0.00 N ATOM 0 H ASN A 30 -18.604 -14.125 25.850 1.00 0.00 H new ATOM 0 HA ASN A 30 -19.440 -13.536 28.558 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.735 -11.786 27.559 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.130 -11.754 26.856 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -21.775 -11.297 24.193 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -21.463 -10.536 25.757 1.00 0.00 H new ATOM 457 N ALA A 31 -21.868 -14.313 28.473 1.00 0.00 N ATOM 458 CA ALA A 31 -23.075 -15.089 28.629 1.00 0.00 C ATOM 459 C ALA A 31 -23.921 -15.071 27.370 1.00 0.00 C ATOM 460 O ALA A 31 -24.671 -15.973 27.138 1.00 0.00 O ATOM 461 CB ALA A 31 -23.867 -14.613 29.824 1.00 0.00 C ATOM 0 H ALA A 31 -21.775 -13.545 29.137 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.781 -16.124 28.805 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.772 -15.212 29.922 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -23.263 -14.717 30.726 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -24.138 -13.566 29.688 1.00 0.00 H new ATOM 467 N ASP A 32 -23.794 -14.029 26.562 1.00 0.00 N ATOM 468 CA ASP A 32 -24.523 -13.958 25.293 1.00 0.00 C ATOM 469 C ASP A 32 -24.151 -15.132 24.388 1.00 0.00 C ATOM 470 O ASP A 32 -25.023 -15.818 23.843 1.00 0.00 O ATOM 471 CB ASP A 32 -24.227 -12.632 24.584 1.00 0.00 C ATOM 472 CG ASP A 32 -24.830 -12.557 23.195 1.00 0.00 C ATOM 473 OD1 ASP A 32 -26.008 -12.155 23.068 1.00 0.00 O ATOM 474 OD2 ASP A 32 -24.124 -12.894 22.217 1.00 0.00 O ATOM 0 H ASP A 32 -23.199 -13.224 26.755 1.00 0.00 H new ATOM 0 HA ASP A 32 -25.590 -14.014 25.509 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -24.613 -11.810 25.187 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -23.148 -12.497 24.514 1.00 0.00 H new ATOM 479 N ARG A 33 -22.853 -15.369 24.249 1.00 0.00 N ATOM 480 CA ARG A 33 -22.347 -16.445 23.445 1.00 0.00 C ATOM 481 C ARG A 33 -22.636 -17.798 24.091 1.00 0.00 C ATOM 482 O ARG A 33 -23.090 -18.731 23.429 1.00 0.00 O ATOM 483 CB ARG A 33 -20.866 -16.262 23.250 1.00 0.00 C ATOM 484 CG ARG A 33 -20.227 -17.355 22.462 1.00 0.00 C ATOM 485 CD ARG A 33 -18.817 -16.988 22.138 1.00 0.00 C ATOM 486 NE ARG A 33 -18.015 -18.134 21.685 1.00 0.00 N ATOM 487 CZ ARG A 33 -16.671 -18.145 21.671 1.00 0.00 C ATOM 488 NH1 ARG A 33 -15.994 -17.027 21.934 1.00 0.00 N ATOM 489 NH2 ARG A 33 -16.009 -19.261 21.359 1.00 0.00 N ATOM 0 H ARG A 33 -22.127 -14.810 24.698 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.848 -16.428 22.477 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -20.689 -15.312 22.746 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.385 -16.200 24.226 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -20.249 -18.285 23.030 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -20.787 -17.529 21.543 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -18.816 -16.222 21.363 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -18.349 -16.550 23.020 1.00 0.00 H new ATOM 0 HE ARG A 33 -18.506 -18.968 21.363 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.496 -16.165 22.146 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.974 -17.034 21.924 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.523 -20.112 21.129 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.989 -19.263 21.350 1.00 0.00 H new ATOM 503 N ILE A 34 -22.394 -17.881 25.391 1.00 0.00 N ATOM 504 CA ILE A 34 -22.606 -19.115 26.139 1.00 0.00 C ATOM 505 C ILE A 34 -24.096 -19.507 26.156 1.00 0.00 C ATOM 506 O ILE A 34 -24.450 -20.667 25.924 1.00 0.00 O ATOM 507 CB ILE A 34 -22.075 -18.955 27.588 1.00 0.00 C ATOM 508 CG1 ILE A 34 -20.548 -18.802 27.564 1.00 0.00 C ATOM 509 CG2 ILE A 34 -22.475 -20.143 28.447 1.00 0.00 C ATOM 510 CD1 ILE A 34 -19.951 -18.381 28.891 1.00 0.00 C ATOM 0 H ILE A 34 -22.048 -17.104 25.954 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.055 -19.914 25.642 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.519 -18.061 28.026 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.103 -19.750 27.261 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.278 -18.066 26.806 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.091 -20.007 29.458 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -23.562 -20.219 28.479 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -22.060 -21.056 28.021 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -18.869 -18.295 28.792 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.366 -17.418 29.188 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.188 -19.127 29.650 1.00 0.00 H new ATOM 522 N LEU A 35 -24.956 -18.526 26.406 1.00 0.00 N ATOM 523 CA LEU A 35 -26.399 -18.737 26.418 1.00 0.00 C ATOM 524 C LEU A 35 -26.871 -19.119 25.032 1.00 0.00 C ATOM 525 O LEU A 35 -27.693 -20.011 24.867 1.00 0.00 O ATOM 526 CB LEU A 35 -27.123 -17.465 26.897 1.00 0.00 C ATOM 527 CG LEU A 35 -28.660 -17.476 26.840 1.00 0.00 C ATOM 528 CD1 LEU A 35 -29.241 -18.543 27.756 1.00 0.00 C ATOM 529 CD2 LEU A 35 -29.203 -16.110 27.208 1.00 0.00 C ATOM 0 H LEU A 35 -24.674 -17.566 26.605 1.00 0.00 H new ATOM 0 HA LEU A 35 -26.633 -19.547 27.109 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -26.823 -17.271 27.927 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -26.767 -16.626 26.298 1.00 0.00 H new ATOM 0 HG LEU A 35 -28.960 -17.716 25.820 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.329 -18.524 27.692 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -28.876 -19.523 27.450 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -28.934 -18.347 28.783 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -30.292 -16.128 27.165 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -28.884 -15.852 28.218 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -28.824 -15.367 26.506 1.00 0.00 H new ATOM 541 N GLY A 36 -26.321 -18.446 24.036 1.00 0.00 N ATOM 542 CA GLY A 36 -26.701 -18.705 22.674 1.00 0.00 C ATOM 543 C GLY A 36 -26.416 -20.124 22.255 1.00 0.00 C ATOM 544 O GLY A 36 -27.228 -20.739 21.595 1.00 0.00 O ATOM 0 H GLY A 36 -25.613 -17.721 24.152 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -27.765 -18.500 22.552 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -26.167 -18.021 22.015 1.00 0.00 H new ATOM 548 N ALA A 37 -25.277 -20.650 22.671 1.00 0.00 N ATOM 549 CA ALA A 37 -24.889 -22.010 22.322 1.00 0.00 C ATOM 550 C ALA A 37 -25.875 -23.033 22.885 1.00 0.00 C ATOM 551 O ALA A 37 -26.230 -24.005 22.213 1.00 0.00 O ATOM 552 CB ALA A 37 -23.494 -22.297 22.846 1.00 0.00 C ATOM 0 H ALA A 37 -24.601 -20.156 23.253 1.00 0.00 H new ATOM 0 HA ALA A 37 -24.898 -22.096 21.235 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -23.209 -23.315 22.582 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -22.787 -21.596 22.402 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -23.483 -22.186 23.930 1.00 0.00 H new ATOM 558 N ALA A 38 -26.311 -22.817 24.110 1.00 0.00 N ATOM 559 CA ALA A 38 -27.241 -23.730 24.761 1.00 0.00 C ATOM 560 C ALA A 38 -28.669 -23.522 24.275 1.00 0.00 C ATOM 561 O ALA A 38 -29.375 -24.477 23.949 1.00 0.00 O ATOM 562 CB ALA A 38 -27.168 -23.557 26.261 1.00 0.00 C ATOM 0 H ALA A 38 -26.038 -22.016 24.679 1.00 0.00 H new ATOM 0 HA ALA A 38 -26.950 -24.747 24.499 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -27.866 -24.243 26.741 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -26.156 -23.772 26.603 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -27.430 -22.532 26.522 1.00 0.00 H new ATOM 568 N LEU A 39 -29.071 -22.268 24.208 1.00 0.00 N ATOM 569 CA LEU A 39 -30.414 -21.886 23.802 1.00 0.00 C ATOM 570 C LEU A 39 -30.648 -22.319 22.349 1.00 0.00 C ATOM 571 O LEU A 39 -31.769 -22.656 21.952 1.00 0.00 O ATOM 572 CB LEU A 39 -30.574 -20.372 23.980 1.00 0.00 C ATOM 573 CG LEU A 39 -31.982 -19.812 23.857 1.00 0.00 C ATOM 574 CD1 LEU A 39 -32.879 -20.436 24.910 1.00 0.00 C ATOM 575 CD2 LEU A 39 -31.960 -18.316 24.038 1.00 0.00 C ATOM 0 H LEU A 39 -28.470 -21.476 24.436 1.00 0.00 H new ATOM 0 HA LEU A 39 -31.162 -22.382 24.421 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -30.186 -20.103 24.962 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -29.945 -19.875 23.242 1.00 0.00 H new ATOM 0 HG LEU A 39 -32.369 -20.048 22.866 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -33.886 -20.030 24.816 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -32.908 -21.516 24.769 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -32.488 -20.210 25.902 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -32.973 -17.924 23.948 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -31.563 -18.075 25.024 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -31.328 -17.866 23.273 1.00 0.00 H new ATOM 587 N GLU A 40 -29.563 -22.300 21.572 1.00 0.00 N ATOM 588 CA GLU A 40 -29.537 -22.767 20.183 1.00 0.00 C ATOM 589 C GLU A 40 -30.001 -24.215 20.095 1.00 0.00 C ATOM 590 O GLU A 40 -30.790 -24.574 19.224 1.00 0.00 O ATOM 591 CB GLU A 40 -28.100 -22.692 19.683 1.00 0.00 C ATOM 592 CG GLU A 40 -27.869 -23.240 18.297 1.00 0.00 C ATOM 593 CD GLU A 40 -26.396 -23.309 17.965 1.00 0.00 C ATOM 594 OE1 GLU A 40 -25.722 -24.270 18.412 1.00 0.00 O ATOM 595 OE2 GLU A 40 -25.903 -22.419 17.254 1.00 0.00 O ATOM 0 H GLU A 40 -28.660 -21.953 21.896 1.00 0.00 H new ATOM 0 HA GLU A 40 -30.200 -22.144 19.583 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -27.780 -21.650 19.701 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -27.461 -23.234 20.381 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -28.307 -24.235 18.221 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -28.378 -22.611 17.567 1.00 0.00 H new ATOM 602 N LYS A 41 -29.516 -25.034 21.018 1.00 0.00 N ATOM 603 CA LYS A 41 -29.826 -26.450 21.049 1.00 0.00 C ATOM 604 C LYS A 41 -31.325 -26.672 21.227 1.00 0.00 C ATOM 605 O LYS A 41 -31.904 -27.574 20.626 1.00 0.00 O ATOM 606 CB LYS A 41 -29.055 -27.117 22.183 1.00 0.00 C ATOM 607 CG LYS A 41 -27.544 -26.901 22.108 1.00 0.00 C ATOM 608 CD LYS A 41 -26.966 -27.407 20.796 1.00 0.00 C ATOM 609 CE LYS A 41 -25.453 -27.221 20.743 1.00 0.00 C ATOM 610 NZ LYS A 41 -25.062 -25.797 20.536 1.00 0.00 N ATOM 0 H LYS A 41 -28.894 -24.730 21.768 1.00 0.00 H new ATOM 0 HA LYS A 41 -29.528 -26.895 20.100 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -29.421 -26.733 23.135 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -29.261 -28.187 22.171 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -27.323 -25.839 22.217 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -27.062 -27.414 22.940 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -27.208 -28.463 20.674 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -27.428 -26.875 19.964 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -25.012 -27.585 21.671 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -25.043 -27.828 19.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -24.026 -25.712 20.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.401 -25.475 19.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -25.486 -25.209 21.282 1.00 0.00 H new ATOM 624 N TYR A 42 -31.950 -25.841 22.051 1.00 0.00 N ATOM 625 CA TYR A 42 -33.383 -25.953 22.292 1.00 0.00 C ATOM 626 C TYR A 42 -34.178 -25.209 21.211 1.00 0.00 C ATOM 627 O TYR A 42 -35.408 -25.291 21.157 1.00 0.00 O ATOM 628 CB TYR A 42 -33.745 -25.423 23.682 1.00 0.00 C ATOM 629 CG TYR A 42 -33.034 -26.137 24.813 1.00 0.00 C ATOM 630 CD1 TYR A 42 -33.460 -27.387 25.244 1.00 0.00 C ATOM 631 CD2 TYR A 42 -31.925 -25.577 25.428 1.00 0.00 C ATOM 632 CE1 TYR A 42 -32.813 -28.050 26.268 1.00 0.00 C ATOM 633 CE2 TYR A 42 -31.271 -26.233 26.450 1.00 0.00 C ATOM 634 CZ TYR A 42 -31.718 -27.474 26.862 1.00 0.00 C ATOM 635 OH TYR A 42 -31.067 -28.134 27.872 1.00 0.00 O ATOM 0 H TYR A 42 -31.491 -25.086 22.561 1.00 0.00 H new ATOM 0 HA TYR A 42 -33.649 -27.009 22.248 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -33.507 -24.360 23.729 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -34.821 -25.515 23.827 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -34.313 -27.849 24.769 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -31.567 -24.612 25.102 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -33.166 -29.015 26.599 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -30.414 -25.779 26.926 1.00 0.00 H new ATOM 0 HH TYR A 42 -30.313 -27.592 28.184 1.00 0.00 H new ATOM 645 N GLY A 43 -33.462 -24.480 20.359 1.00 0.00 N ATOM 646 CA GLY A 43 -34.094 -23.758 19.265 1.00 0.00 C ATOM 647 C GLY A 43 -34.838 -22.522 19.718 1.00 0.00 C ATOM 648 O GLY A 43 -35.707 -22.022 19.010 1.00 0.00 O ATOM 0 H GLY A 43 -32.448 -24.375 20.407 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -33.332 -23.470 18.540 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -34.788 -24.424 18.752 1.00 0.00 H new ATOM 652 N LEU A 44 -34.496 -22.025 20.890 1.00 0.00 N ATOM 653 CA LEU A 44 -35.166 -20.864 21.445 1.00 0.00 C ATOM 654 C LEU A 44 -34.280 -19.627 21.374 1.00 0.00 C ATOM 655 O LEU A 44 -34.596 -18.605 21.974 1.00 0.00 O ATOM 656 CB LEU A 44 -35.586 -21.131 22.893 1.00 0.00 C ATOM 657 CG LEU A 44 -36.511 -22.329 23.113 1.00 0.00 C ATOM 658 CD1 LEU A 44 -36.836 -22.485 24.587 1.00 0.00 C ATOM 659 CD2 LEU A 44 -37.783 -22.182 22.297 1.00 0.00 C ATOM 0 H LEU A 44 -33.756 -22.408 21.478 1.00 0.00 H new ATOM 0 HA LEU A 44 -36.057 -20.676 20.846 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.686 -21.278 23.490 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -36.082 -20.239 23.277 1.00 0.00 H new ATOM 0 HG LEU A 44 -35.994 -23.228 22.777 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -37.495 -23.342 24.726 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -35.915 -22.641 25.148 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -37.332 -21.584 24.948 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -38.427 -23.045 22.468 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -38.305 -21.274 22.598 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -37.531 -22.122 21.238 1.00 0.00 H new ATOM 671 N GLU A 45 -33.175 -19.723 20.625 1.00 0.00 N ATOM 672 CA GLU A 45 -32.219 -18.609 20.505 1.00 0.00 C ATOM 673 C GLU A 45 -32.884 -17.349 19.953 1.00 0.00 C ATOM 674 O GLU A 45 -32.479 -16.230 20.272 1.00 0.00 O ATOM 675 CB GLU A 45 -31.011 -18.997 19.642 1.00 0.00 C ATOM 676 CG GLU A 45 -30.014 -17.864 19.486 1.00 0.00 C ATOM 677 CD GLU A 45 -28.762 -18.242 18.750 1.00 0.00 C ATOM 678 OE1 GLU A 45 -28.858 -18.865 17.671 1.00 0.00 O ATOM 679 OE2 GLU A 45 -27.667 -17.880 19.239 1.00 0.00 O ATOM 0 H GLU A 45 -32.919 -20.555 20.094 1.00 0.00 H new ATOM 0 HA GLU A 45 -31.864 -18.388 21.512 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.511 -19.856 20.089 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.359 -19.308 18.657 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -30.497 -17.040 18.960 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -29.743 -17.495 20.475 1.00 0.00 H new ATOM 686 N HIS A 46 -33.909 -17.542 19.143 1.00 0.00 N ATOM 687 CA HIS A 46 -34.667 -16.437 18.562 1.00 0.00 C ATOM 688 C HIS A 46 -35.309 -15.597 19.669 1.00 0.00 C ATOM 689 O HIS A 46 -35.552 -14.407 19.502 1.00 0.00 O ATOM 690 CB HIS A 46 -35.757 -16.994 17.640 1.00 0.00 C ATOM 691 CG HIS A 46 -35.230 -17.808 16.494 1.00 0.00 C ATOM 692 ND1 HIS A 46 -34.889 -19.140 16.617 1.00 0.00 N ATOM 693 CD2 HIS A 46 -34.982 -17.483 15.204 1.00 0.00 C ATOM 694 CE1 HIS A 46 -34.455 -19.592 15.453 1.00 0.00 C ATOM 695 NE2 HIS A 46 -34.503 -18.608 14.585 1.00 0.00 N ATOM 0 H HIS A 46 -34.243 -18.465 18.867 1.00 0.00 H new ATOM 0 HA HIS A 46 -33.990 -15.805 17.987 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -36.436 -17.611 18.229 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -36.343 -16.164 17.244 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -35.133 -16.516 14.747 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -34.119 -20.598 15.251 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -34.227 -18.671 13.605 1.00 0.00 H new ATOM 703 N SER A 47 -35.566 -16.236 20.797 1.00 0.00 N ATOM 704 CA SER A 47 -36.201 -15.603 21.941 1.00 0.00 C ATOM 705 C SER A 47 -35.191 -15.406 23.087 1.00 0.00 C ATOM 706 O SER A 47 -35.566 -15.413 24.253 1.00 0.00 O ATOM 707 CB SER A 47 -37.353 -16.491 22.410 1.00 0.00 C ATOM 708 OG SER A 47 -38.266 -16.741 21.346 1.00 0.00 O ATOM 0 H SER A 47 -35.338 -17.219 20.946 1.00 0.00 H new ATOM 0 HA SER A 47 -36.575 -14.622 21.650 1.00 0.00 H new ATOM 0 HB2 SER A 47 -36.960 -17.435 22.787 1.00 0.00 H new ATOM 0 HB3 SER A 47 -37.875 -16.010 23.237 1.00 0.00 H new ATOM 0 HG SER A 47 -38.994 -17.312 21.667 1.00 0.00 H new ATOM 714 N LYS A 48 -33.925 -15.176 22.738 1.00 0.00 N ATOM 715 CA LYS A 48 -32.848 -15.048 23.735 1.00 0.00 C ATOM 716 C LYS A 48 -33.084 -13.894 24.699 1.00 0.00 C ATOM 717 O LYS A 48 -32.680 -13.955 25.853 1.00 0.00 O ATOM 718 CB LYS A 48 -31.500 -14.858 23.052 1.00 0.00 C ATOM 719 CG LYS A 48 -30.311 -15.194 23.943 1.00 0.00 C ATOM 720 CD LYS A 48 -28.995 -15.088 23.193 1.00 0.00 C ATOM 721 CE LYS A 48 -28.940 -16.077 22.044 1.00 0.00 C ATOM 722 NZ LYS A 48 -27.714 -15.924 21.210 1.00 0.00 N ATOM 0 H LYS A 48 -33.614 -15.073 21.772 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.847 -15.975 24.308 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -31.463 -15.483 22.160 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -31.413 -13.824 22.720 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.297 -14.519 24.799 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -30.425 -16.205 24.335 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -28.871 -14.075 22.811 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -28.167 -15.274 23.877 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.980 -17.091 22.441 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -29.821 -15.946 21.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.686 -16.677 20.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -27.728 -14.997 20.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.871 -15.991 21.816 1.00 0.00 H new ATOM 736 N ASP A 49 -33.737 -12.853 24.226 1.00 0.00 N ATOM 737 CA ASP A 49 -33.970 -11.660 25.031 1.00 0.00 C ATOM 738 C ASP A 49 -34.875 -11.934 26.231 1.00 0.00 C ATOM 739 O ASP A 49 -35.034 -11.076 27.091 1.00 0.00 O ATOM 740 CB ASP A 49 -34.567 -10.541 24.184 1.00 0.00 C ATOM 741 CG ASP A 49 -33.588 -9.959 23.191 1.00 0.00 C ATOM 742 OD1 ASP A 49 -32.726 -9.149 23.599 1.00 0.00 O ATOM 743 OD2 ASP A 49 -33.679 -10.304 21.993 1.00 0.00 O ATOM 0 H ASP A 49 -34.120 -12.804 23.282 1.00 0.00 H new ATOM 0 HA ASP A 49 -32.997 -11.348 25.411 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -35.435 -10.924 23.647 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -34.923 -9.747 24.841 1.00 0.00 H new ATOM 748 N ASP A 50 -35.479 -13.112 26.282 1.00 0.00 N ATOM 749 CA ASP A 50 -36.354 -13.474 27.399 1.00 0.00 C ATOM 750 C ASP A 50 -35.643 -14.436 28.367 1.00 0.00 C ATOM 751 O ASP A 50 -36.203 -14.832 29.388 1.00 0.00 O ATOM 752 CB ASP A 50 -37.655 -14.107 26.866 1.00 0.00 C ATOM 753 CG ASP A 50 -38.714 -14.333 27.941 1.00 0.00 C ATOM 754 OD1 ASP A 50 -39.299 -13.337 28.428 1.00 0.00 O ATOM 755 OD2 ASP A 50 -38.997 -15.506 28.273 1.00 0.00 O ATOM 0 H ASP A 50 -35.383 -13.834 25.568 1.00 0.00 H new ATOM 0 HA ASP A 50 -36.602 -12.567 27.950 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -38.070 -13.464 26.090 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -37.418 -15.061 26.396 1.00 0.00 H new ATOM 760 N PHE A 51 -34.395 -14.778 28.066 1.00 0.00 N ATOM 761 CA PHE A 51 -33.659 -15.750 28.883 1.00 0.00 C ATOM 762 C PHE A 51 -32.281 -15.229 29.282 1.00 0.00 C ATOM 763 O PHE A 51 -31.692 -14.407 28.586 1.00 0.00 O ATOM 764 CB PHE A 51 -33.474 -17.062 28.120 1.00 0.00 C ATOM 765 CG PHE A 51 -34.752 -17.723 27.684 1.00 0.00 C ATOM 766 CD1 PHE A 51 -35.449 -18.552 28.540 1.00 0.00 C ATOM 767 CD2 PHE A 51 -35.246 -17.515 26.412 1.00 0.00 C ATOM 768 CE1 PHE A 51 -36.623 -19.166 28.133 1.00 0.00 C ATOM 769 CE2 PHE A 51 -36.416 -18.125 25.997 1.00 0.00 C ATOM 770 CZ PHE A 51 -37.107 -18.950 26.861 1.00 0.00 C ATOM 0 H PHE A 51 -33.873 -14.405 27.273 1.00 0.00 H new ATOM 0 HA PHE A 51 -34.251 -15.915 29.783 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -32.862 -16.870 27.239 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -32.918 -17.757 28.750 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -35.075 -18.724 29.538 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -34.712 -16.868 25.732 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -37.158 -19.813 28.812 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -36.789 -17.956 24.998 1.00 0.00 H new ATOM 0 HZ PHE A 51 -38.023 -19.424 26.542 1.00 0.00 H new ATOM 780 N ILE A 52 -31.788 -15.709 30.418 1.00 0.00 N ATOM 781 CA ILE A 52 -30.439 -15.398 30.902 1.00 0.00 C ATOM 782 C ILE A 52 -29.829 -16.649 31.529 1.00 0.00 C ATOM 783 O ILE A 52 -30.474 -17.707 31.578 1.00 0.00 O ATOM 784 CB ILE A 52 -30.411 -14.243 31.949 1.00 0.00 C ATOM 785 CG1 ILE A 52 -31.227 -14.614 33.190 1.00 0.00 C ATOM 786 CG2 ILE A 52 -30.917 -12.937 31.337 1.00 0.00 C ATOM 787 CD1 ILE A 52 -31.101 -13.612 34.322 1.00 0.00 C ATOM 0 H ILE A 52 -32.312 -16.329 31.036 1.00 0.00 H new ATOM 0 HA ILE A 52 -29.863 -15.064 30.039 1.00 0.00 H new ATOM 0 HB ILE A 52 -29.376 -14.092 32.256 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -32.277 -14.704 32.911 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -30.907 -15.593 33.546 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -30.887 -12.148 32.088 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -30.283 -12.660 30.495 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -31.942 -13.070 30.991 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -31.706 -13.940 35.167 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -30.058 -13.539 34.629 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -31.449 -12.636 33.984 1.00 0.00 H new ATOM 799 N LEU A 53 -28.613 -16.538 32.015 1.00 0.00 N ATOM 800 CA LEU A 53 -27.946 -17.659 32.649 1.00 0.00 C ATOM 801 C LEU A 53 -27.964 -17.499 34.153 1.00 0.00 C ATOM 802 O LEU A 53 -28.003 -16.388 34.658 1.00 0.00 O ATOM 803 CB LEU A 53 -26.503 -17.772 32.170 1.00 0.00 C ATOM 804 CG LEU A 53 -26.301 -18.108 30.697 1.00 0.00 C ATOM 805 CD1 LEU A 53 -24.826 -18.061 30.349 1.00 0.00 C ATOM 806 CD2 LEU A 53 -26.879 -19.480 30.382 1.00 0.00 C ATOM 0 H LEU A 53 -28.062 -15.680 31.984 1.00 0.00 H new ATOM 0 HA LEU A 53 -28.482 -18.568 32.375 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -26.000 -16.828 32.377 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.004 -18.536 32.766 1.00 0.00 H new ATOM 0 HG LEU A 53 -26.826 -17.367 30.093 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -24.693 -18.303 29.294 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.438 -17.061 30.544 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.285 -18.785 30.958 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -26.727 -19.705 29.326 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.379 -20.234 30.990 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -27.946 -19.485 30.604 1.00 0.00 H new ATOM 818 N VAL A 54 -27.982 -18.609 34.865 1.00 0.00 N ATOM 819 CA VAL A 54 -27.915 -18.583 36.317 1.00 0.00 C ATOM 820 C VAL A 54 -26.970 -19.666 36.827 1.00 0.00 C ATOM 821 O VAL A 54 -26.754 -20.685 36.161 1.00 0.00 O ATOM 822 CB VAL A 54 -29.305 -18.780 36.982 1.00 0.00 C ATOM 823 CG1 VAL A 54 -30.234 -17.616 36.667 1.00 0.00 C ATOM 824 CG2 VAL A 54 -29.928 -20.101 36.550 1.00 0.00 C ATOM 0 H VAL A 54 -28.043 -19.544 34.462 1.00 0.00 H new ATOM 0 HA VAL A 54 -27.544 -17.595 36.590 1.00 0.00 H new ATOM 0 HB VAL A 54 -29.159 -18.808 38.062 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -31.199 -17.781 37.145 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -29.797 -16.690 37.041 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.372 -17.542 35.588 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -30.901 -20.218 37.028 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.052 -20.108 35.467 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -29.277 -20.924 36.846 1.00 0.00 H new ATOM 834 N GLU A 55 -26.412 -19.447 37.997 1.00 0.00 N ATOM 835 CA GLU A 55 -25.546 -20.432 38.630 1.00 0.00 C ATOM 836 C GLU A 55 -26.213 -21.055 39.822 1.00 0.00 C ATOM 837 O GLU A 55 -26.711 -20.352 40.705 1.00 0.00 O ATOM 838 CB GLU A 55 -24.219 -19.818 39.072 1.00 0.00 C ATOM 839 CG GLU A 55 -23.187 -19.679 37.977 1.00 0.00 C ATOM 840 CD GLU A 55 -21.937 -18.979 38.473 1.00 0.00 C ATOM 841 OE1 GLU A 55 -21.232 -19.557 39.325 1.00 0.00 O ATOM 842 OE2 GLU A 55 -21.670 -17.837 38.041 1.00 0.00 O ATOM 0 H GLU A 55 -26.540 -18.591 38.537 1.00 0.00 H new ATOM 0 HA GLU A 55 -25.349 -21.199 37.880 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -24.414 -18.832 39.495 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.800 -20.430 39.871 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.925 -20.666 37.596 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -23.612 -19.119 37.144 1.00 0.00 H new ATOM 849 N VAL A 56 -26.253 -22.366 39.831 1.00 0.00 N ATOM 850 CA VAL A 56 -26.751 -23.125 40.959 1.00 0.00 C ATOM 851 C VAL A 56 -25.719 -24.161 41.327 1.00 0.00 C ATOM 852 O VAL A 56 -25.138 -24.801 40.448 1.00 0.00 O ATOM 853 CB VAL A 56 -28.109 -23.827 40.657 1.00 0.00 C ATOM 854 CG1 VAL A 56 -28.499 -24.806 41.779 1.00 0.00 C ATOM 855 CG2 VAL A 56 -29.202 -22.788 40.459 1.00 0.00 C ATOM 0 H VAL A 56 -25.939 -22.943 39.051 1.00 0.00 H new ATOM 0 HA VAL A 56 -26.928 -22.432 41.782 1.00 0.00 H new ATOM 0 HB VAL A 56 -27.993 -24.403 39.739 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -29.451 -25.278 41.536 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -27.729 -25.572 41.878 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -28.593 -24.263 42.719 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -30.147 -23.289 40.249 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -29.303 -22.189 41.364 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -28.941 -22.140 39.622 1.00 0.00 H new ATOM 1112 N GLY A 73 -30.864 -19.077 40.676 1.00 0.00 N ATOM 1113 CA GLY A 73 -29.510 -18.967 41.155 1.00 0.00 C ATOM 1114 C GLY A 73 -29.006 -17.557 41.082 1.00 0.00 C ATOM 1115 O GLY A 73 -29.739 -16.615 41.371 1.00 0.00 O ATOM 0 HA2 GLY A 73 -29.460 -19.318 42.186 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -28.862 -19.616 40.565 1.00 0.00 H new ATOM 1119 N ARG A 74 -27.758 -17.404 40.688 1.00 0.00 N ATOM 1120 CA ARG A 74 -27.165 -16.094 40.563 1.00 0.00 C ATOM 1121 C ARG A 74 -27.482 -15.551 39.180 1.00 0.00 C ATOM 1122 O ARG A 74 -27.132 -16.177 38.185 1.00 0.00 O ATOM 1123 CB ARG A 74 -25.636 -16.151 40.790 1.00 0.00 C ATOM 1124 CG ARG A 74 -25.212 -16.651 42.181 1.00 0.00 C ATOM 1125 CD ARG A 74 -25.356 -18.164 42.309 1.00 0.00 C ATOM 1126 NE ARG A 74 -25.105 -18.645 43.667 1.00 0.00 N ATOM 1127 CZ ARG A 74 -25.567 -19.811 44.148 1.00 0.00 C ATOM 1128 NH1 ARG A 74 -26.308 -20.609 43.379 1.00 0.00 N ATOM 1129 NH2 ARG A 74 -25.286 -20.175 45.390 1.00 0.00 N ATOM 0 H ARG A 74 -27.135 -18.176 40.449 1.00 0.00 H new ATOM 0 HA ARG A 74 -27.580 -15.434 41.324 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -25.194 -16.801 40.035 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -25.222 -15.155 40.635 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -24.176 -16.368 42.369 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -25.819 -16.163 42.943 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -26.361 -18.456 42.005 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -24.662 -18.650 41.623 1.00 0.00 H new ATOM 0 HE ARG A 74 -24.545 -18.059 44.287 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -26.526 -20.335 42.421 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -26.657 -21.493 43.749 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.718 -19.570 45.983 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -25.638 -21.061 45.754 1.00 0.00 H new ATOM 1143 N PRO A 75 -28.188 -14.408 39.102 1.00 0.00 N ATOM 1144 CA PRO A 75 -28.595 -13.820 37.820 1.00 0.00 C ATOM 1145 C PRO A 75 -27.402 -13.387 36.976 1.00 0.00 C ATOM 1146 O PRO A 75 -26.624 -12.516 37.373 1.00 0.00 O ATOM 1147 CB PRO A 75 -29.451 -12.612 38.224 1.00 0.00 C ATOM 1148 CG PRO A 75 -29.019 -12.287 39.615 1.00 0.00 C ATOM 1149 CD PRO A 75 -28.637 -13.596 40.248 1.00 0.00 C ATOM 0 HA PRO A 75 -29.131 -14.536 37.198 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -29.288 -11.769 37.552 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -30.514 -12.850 38.185 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -28.176 -11.596 39.610 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -29.823 -11.805 40.171 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -27.845 -13.470 40.987 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -29.481 -14.056 40.761 1.00 0.00 H new ATOM 1157 N ILE A 76 -27.262 -14.009 35.827 1.00 0.00 N ATOM 1158 CA ILE A 76 -26.164 -13.741 34.925 1.00 0.00 C ATOM 1159 C ILE A 76 -26.677 -13.269 33.562 1.00 0.00 C ATOM 1160 O ILE A 76 -27.151 -14.072 32.746 1.00 0.00 O ATOM 1161 CB ILE A 76 -25.306 -15.014 34.740 1.00 0.00 C ATOM 1162 CG1 ILE A 76 -24.853 -15.524 36.109 1.00 0.00 C ATOM 1163 CG2 ILE A 76 -24.107 -14.736 33.842 1.00 0.00 C ATOM 1164 CD1 ILE A 76 -24.405 -16.966 36.114 1.00 0.00 C ATOM 0 H ILE A 76 -27.911 -14.720 35.490 1.00 0.00 H new ATOM 0 HA ILE A 76 -25.554 -12.950 35.361 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.909 -15.781 34.255 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.034 -14.899 36.464 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -25.673 -15.407 36.818 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -23.519 -15.647 33.727 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -24.454 -14.403 32.864 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.488 -13.959 34.291 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -24.100 -17.249 37.122 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -25.228 -17.604 35.791 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.563 -17.088 35.433 1.00 0.00 H new ATOM 1176 N PRO A 77 -26.628 -11.957 33.313 1.00 0.00 N ATOM 1177 CA PRO A 77 -27.036 -11.377 32.031 1.00 0.00 C ATOM 1178 C PRO A 77 -26.056 -11.747 30.924 1.00 0.00 C ATOM 1179 O PRO A 77 -24.929 -12.139 31.202 1.00 0.00 O ATOM 1180 CB PRO A 77 -26.973 -9.873 32.291 1.00 0.00 C ATOM 1181 CG PRO A 77 -25.988 -9.732 33.389 1.00 0.00 C ATOM 1182 CD PRO A 77 -26.178 -10.925 34.263 1.00 0.00 C ATOM 0 HA PRO A 77 -28.015 -11.729 31.707 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -26.657 -9.328 31.401 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -27.948 -9.478 32.578 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -24.971 -9.691 32.999 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -26.153 -8.810 33.946 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.253 -11.211 34.763 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -26.918 -10.742 35.042 1.00 0.00 H new ATOM 1190 N PRO A 78 -26.462 -11.588 29.648 1.00 0.00 N ATOM 1191 CA PRO A 78 -25.616 -11.932 28.490 1.00 0.00 C ATOM 1192 C PRO A 78 -24.273 -11.195 28.506 1.00 0.00 C ATOM 1193 O PRO A 78 -23.275 -11.681 27.978 1.00 0.00 O ATOM 1194 CB PRO A 78 -26.446 -11.471 27.289 1.00 0.00 C ATOM 1195 CG PRO A 78 -27.847 -11.435 27.774 1.00 0.00 C ATOM 1196 CD PRO A 78 -27.780 -11.075 29.228 1.00 0.00 C ATOM 0 HA PRO A 78 -25.366 -12.993 28.478 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -26.124 -10.489 26.942 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -26.338 -12.157 26.449 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -28.432 -10.702 27.219 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -28.332 -12.401 27.635 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.859 -9.998 29.379 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.589 -11.536 29.794 1.00 0.00 H new ATOM 1204 N THR A 79 -24.261 -10.036 29.119 1.00 0.00 N ATOM 1205 CA THR A 79 -23.061 -9.207 29.171 1.00 0.00 C ATOM 1206 C THR A 79 -22.056 -9.693 30.241 1.00 0.00 C ATOM 1207 O THR A 79 -20.916 -9.224 30.284 1.00 0.00 O ATOM 1208 CB THR A 79 -23.428 -7.721 29.425 1.00 0.00 C ATOM 1209 OG1 THR A 79 -22.266 -6.891 29.324 1.00 0.00 O ATOM 1210 CG2 THR A 79 -24.062 -7.539 30.797 1.00 0.00 C ATOM 0 H THR A 79 -25.070 -9.636 29.594 1.00 0.00 H new ATOM 0 HA THR A 79 -22.576 -9.296 28.199 1.00 0.00 H new ATOM 0 HB THR A 79 -24.150 -7.426 28.663 1.00 0.00 H new ATOM 0 HG1 THR A 79 -21.465 -7.427 29.499 1.00 0.00 H new ATOM 0 HG21 THR A 79 -24.309 -6.488 30.947 1.00 0.00 H new ATOM 0 HG22 THR A 79 -24.971 -8.138 30.860 1.00 0.00 H new ATOM 0 HG23 THR A 79 -23.361 -7.861 31.567 1.00 0.00 H new ATOM 1218 N GLU A 80 -22.473 -10.630 31.086 1.00 0.00 N ATOM 1219 CA GLU A 80 -21.614 -11.122 32.173 1.00 0.00 C ATOM 1220 C GLU A 80 -20.797 -12.354 31.748 1.00 0.00 C ATOM 1221 O GLU A 80 -21.219 -13.122 30.892 1.00 0.00 O ATOM 1222 CB GLU A 80 -22.472 -11.453 33.398 1.00 0.00 C ATOM 1223 CG GLU A 80 -21.677 -11.914 34.610 1.00 0.00 C ATOM 1224 CD GLU A 80 -20.770 -10.832 35.140 1.00 0.00 C ATOM 1225 OE1 GLU A 80 -19.661 -10.646 34.583 1.00 0.00 O ATOM 1226 OE2 GLU A 80 -21.162 -10.150 36.100 1.00 0.00 O ATOM 0 H GLU A 80 -23.394 -11.066 31.045 1.00 0.00 H new ATOM 0 HA GLU A 80 -20.905 -10.333 32.423 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -23.051 -10.571 33.671 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.186 -12.231 33.128 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -22.364 -12.227 35.396 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -21.081 -12.786 34.341 1.00 0.00 H new ATOM 1233 N CYS A 81 -19.625 -12.523 32.362 1.00 0.00 N ATOM 1234 CA CYS A 81 -18.762 -13.681 32.108 1.00 0.00 C ATOM 1235 C CYS A 81 -18.521 -14.445 33.432 1.00 0.00 C ATOM 1236 O CYS A 81 -17.554 -14.185 34.146 1.00 0.00 O ATOM 1237 CB CYS A 81 -17.423 -13.236 31.493 1.00 0.00 C ATOM 1238 SG CYS A 81 -17.588 -12.318 29.942 1.00 0.00 S ATOM 0 H CYS A 81 -19.248 -11.866 33.045 1.00 0.00 H new ATOM 0 HA CYS A 81 -19.256 -14.343 31.397 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.893 -12.615 32.215 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.806 -14.117 31.317 1.00 0.00 H new ATOM 0 HG CYS A 81 -16.762 -12.801 29.062 1.00 0.00 H new ATOM 1244 N PRO A 82 -19.415 -15.396 33.764 1.00 0.00 N ATOM 1245 CA PRO A 82 -19.386 -16.129 35.053 1.00 0.00 C ATOM 1246 C PRO A 82 -18.263 -17.179 35.167 1.00 0.00 C ATOM 1247 O PRO A 82 -17.938 -17.630 36.269 1.00 0.00 O ATOM 1248 CB PRO A 82 -20.746 -16.828 35.071 1.00 0.00 C ATOM 1249 CG PRO A 82 -21.067 -17.046 33.635 1.00 0.00 C ATOM 1250 CD PRO A 82 -20.528 -15.852 32.902 1.00 0.00 C ATOM 0 HA PRO A 82 -19.195 -15.448 35.882 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -20.701 -17.771 35.616 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -21.503 -16.213 35.559 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -20.611 -17.966 33.269 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -22.143 -17.142 33.486 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -20.181 -16.116 31.903 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -21.286 -15.078 32.781 1.00 0.00 H new ATOM 1258 N LEU A 83 -17.650 -17.531 34.047 1.00 0.00 N ATOM 1259 CA LEU A 83 -16.674 -18.627 34.022 1.00 0.00 C ATOM 1260 C LEU A 83 -15.470 -18.370 34.920 1.00 0.00 C ATOM 1261 O LEU A 83 -14.965 -19.299 35.559 1.00 0.00 O ATOM 1262 CB LEU A 83 -16.234 -18.948 32.599 1.00 0.00 C ATOM 1263 CG LEU A 83 -17.337 -19.453 31.676 1.00 0.00 C ATOM 1264 CD1 LEU A 83 -16.776 -19.947 30.365 1.00 0.00 C ATOM 1265 CD2 LEU A 83 -18.172 -20.533 32.341 1.00 0.00 C ATOM 0 H LEU A 83 -17.805 -17.081 33.145 1.00 0.00 H new ATOM 0 HA LEU A 83 -17.186 -19.499 34.428 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.797 -18.051 32.160 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.445 -19.699 32.641 1.00 0.00 H new ATOM 0 HG LEU A 83 -17.990 -18.606 31.467 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.589 -20.300 29.731 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.252 -19.133 29.864 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.081 -20.765 30.552 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -18.948 -20.868 31.653 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -17.533 -21.375 32.606 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -18.635 -20.131 33.242 1.00 0.00 H new ATOM 1277 N PHE A 84 -15.012 -17.125 34.972 1.00 0.00 N ATOM 1278 CA PHE A 84 -13.875 -16.776 35.810 1.00 0.00 C ATOM 1279 C PHE A 84 -14.156 -17.097 37.269 1.00 0.00 C ATOM 1280 O PHE A 84 -13.299 -17.617 37.975 1.00 0.00 O ATOM 1281 CB PHE A 84 -13.516 -15.300 35.658 1.00 0.00 C ATOM 1282 CG PHE A 84 -12.848 -14.958 34.364 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -11.468 -15.006 34.248 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -13.594 -14.575 33.270 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -10.848 -14.678 33.059 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -12.985 -14.242 32.076 1.00 0.00 C ATOM 1287 CZ PHE A 84 -11.610 -14.294 31.969 1.00 0.00 C ATOM 0 H PHE A 84 -15.409 -16.346 34.447 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.026 -17.375 35.480 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -14.425 -14.706 35.752 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.860 -15.011 36.479 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.871 -15.303 35.097 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.670 -14.535 33.348 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.772 -14.721 32.979 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -13.583 -13.942 31.228 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.130 -14.036 31.037 1.00 0.00 H new ATOM 1297 N GLU A 85 -15.356 -16.786 37.723 1.00 0.00 N ATOM 1298 CA GLU A 85 -15.728 -17.064 39.093 1.00 0.00 C ATOM 1299 C GLU A 85 -15.919 -18.562 39.319 1.00 0.00 C ATOM 1300 O GLU A 85 -15.497 -19.100 40.342 1.00 0.00 O ATOM 1301 CB GLU A 85 -16.997 -16.316 39.473 1.00 0.00 C ATOM 1302 CG GLU A 85 -16.883 -14.811 39.333 1.00 0.00 C ATOM 1303 CD GLU A 85 -18.073 -14.088 39.913 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -19.105 -13.962 39.221 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -17.982 -13.647 41.076 1.00 0.00 O ATOM 0 H GLU A 85 -16.085 -16.343 37.164 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.914 -16.719 39.730 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.817 -16.669 38.848 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.255 -16.557 40.504 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.976 -14.470 39.832 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.783 -14.553 38.279 1.00 0.00 H new ATOM 1312 N MET A 86 -16.536 -19.230 38.345 1.00 0.00 N ATOM 1313 CA MET A 86 -16.815 -20.666 38.441 1.00 0.00 C ATOM 1314 C MET A 86 -15.533 -21.472 38.576 1.00 0.00 C ATOM 1315 O MET A 86 -15.422 -22.338 39.438 1.00 0.00 O ATOM 1316 CB MET A 86 -17.588 -21.140 37.201 1.00 0.00 C ATOM 1317 CG MET A 86 -18.976 -20.539 37.068 1.00 0.00 C ATOM 1318 SD MET A 86 -19.826 -21.069 35.565 1.00 0.00 S ATOM 1319 CE MET A 86 -20.091 -22.804 35.924 1.00 0.00 C ATOM 0 H MET A 86 -16.854 -18.800 37.477 1.00 0.00 H new ATOM 0 HA MET A 86 -17.419 -20.826 39.334 1.00 0.00 H new ATOM 0 HB2 MET A 86 -17.010 -20.894 36.310 1.00 0.00 H new ATOM 0 HB3 MET A 86 -17.676 -22.226 37.234 1.00 0.00 H new ATOM 0 HG2 MET A 86 -19.573 -20.819 37.936 1.00 0.00 H new ATOM 0 HG3 MET A 86 -18.898 -19.452 37.072 1.00 0.00 H new ATOM 0 HE1 MET A 86 -20.826 -23.211 35.230 1.00 0.00 H new ATOM 0 HE2 MET A 86 -19.151 -23.346 35.816 1.00 0.00 H new ATOM 0 HE3 MET A 86 -20.457 -22.913 36.945 1.00 0.00 H new ATOM 1329 N THR A 87 -14.566 -21.161 37.740 1.00 0.00 N ATOM 1330 CA THR A 87 -13.299 -21.862 37.753 1.00 0.00 C ATOM 1331 C THR A 87 -12.464 -21.511 38.977 1.00 0.00 C ATOM 1332 O THR A 87 -11.752 -22.357 39.513 1.00 0.00 O ATOM 1333 CB THR A 87 -12.500 -21.588 36.464 1.00 0.00 C ATOM 1334 OG1 THR A 87 -12.460 -20.176 36.202 1.00 0.00 O ATOM 1335 CG2 THR A 87 -13.129 -22.307 35.279 1.00 0.00 C ATOM 0 H THR A 87 -14.633 -20.423 37.039 1.00 0.00 H new ATOM 0 HA THR A 87 -13.528 -22.927 37.803 1.00 0.00 H new ATOM 0 HB THR A 87 -11.486 -21.961 36.604 1.00 0.00 H new ATOM 0 HG1 THR A 87 -13.320 -19.887 35.832 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.550 -22.101 34.379 1.00 0.00 H new ATOM 0 HG22 THR A 87 -13.137 -23.381 35.467 1.00 0.00 H new ATOM 0 HG23 THR A 87 -14.151 -21.955 35.141 1.00 0.00 H new ATOM 1495 N PHE A 100 -22.961 -25.114 38.753 1.00 0.00 N ATOM 1496 CA PHE A 100 -23.263 -25.418 37.380 1.00 0.00 C ATOM 1497 C PHE A 100 -24.015 -24.269 36.750 1.00 0.00 C ATOM 1498 O PHE A 100 -24.567 -23.411 37.452 1.00 0.00 O ATOM 1499 CB PHE A 100 -24.046 -26.736 37.218 1.00 0.00 C ATOM 1500 CG PHE A 100 -25.417 -26.751 37.836 1.00 0.00 C ATOM 1501 CD1 PHE A 100 -26.485 -26.141 37.197 1.00 0.00 C ATOM 1502 CD2 PHE A 100 -25.647 -27.413 39.030 1.00 0.00 C ATOM 1503 CE1 PHE A 100 -27.753 -26.184 37.742 1.00 0.00 C ATOM 1504 CE2 PHE A 100 -26.915 -27.458 39.582 1.00 0.00 C ATOM 1505 CZ PHE A 100 -27.969 -26.841 38.936 1.00 0.00 C ATOM 0 HA PHE A 100 -22.313 -25.558 36.864 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -24.143 -26.953 36.154 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -23.460 -27.544 37.656 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -26.324 -25.626 36.262 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -24.827 -27.900 39.537 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -28.576 -25.703 37.234 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -27.080 -27.974 40.516 1.00 0.00 H new ATOM 0 HZ PHE A 100 -28.960 -26.873 39.365 1.00 0.00 H new ATOM 1515 N LEU A 101 -24.044 -24.253 35.442 1.00 0.00 N ATOM 1516 CA LEU A 101 -24.655 -23.181 34.712 1.00 0.00 C ATOM 1517 C LEU A 101 -25.999 -23.637 34.148 1.00 0.00 C ATOM 1518 O LEU A 101 -26.091 -24.679 33.500 1.00 0.00 O ATOM 1519 CB LEU A 101 -23.717 -22.753 33.592 1.00 0.00 C ATOM 1520 CG LEU A 101 -24.112 -21.511 32.818 1.00 0.00 C ATOM 1521 CD1 LEU A 101 -24.151 -20.301 33.739 1.00 0.00 C ATOM 1522 CD2 LEU A 101 -23.134 -21.285 31.695 1.00 0.00 C ATOM 0 H LEU A 101 -23.643 -24.985 34.856 1.00 0.00 H new ATOM 0 HA LEU A 101 -24.835 -22.333 35.373 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.728 -22.589 34.019 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.627 -23.580 32.888 1.00 0.00 H new ATOM 0 HG LEU A 101 -25.109 -21.653 32.400 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -24.436 -19.418 33.167 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -24.879 -20.471 34.532 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.166 -20.146 34.178 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.419 -20.392 31.139 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.133 -21.153 32.105 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -23.142 -22.146 31.027 1.00 0.00 H new ATOM 1534 N ALA A 102 -27.032 -22.869 34.410 1.00 0.00 N ATOM 1535 CA ALA A 102 -28.366 -23.224 33.967 1.00 0.00 C ATOM 1536 C ALA A 102 -29.022 -22.086 33.202 1.00 0.00 C ATOM 1537 O ALA A 102 -28.602 -20.927 33.296 1.00 0.00 O ATOM 1538 CB ALA A 102 -29.221 -23.614 35.157 1.00 0.00 C ATOM 0 H ALA A 102 -26.976 -21.992 34.928 1.00 0.00 H new ATOM 0 HA ALA A 102 -28.279 -24.074 33.290 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -30.221 -23.879 34.815 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.772 -24.469 35.663 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -29.285 -22.775 35.850 1.00 0.00 H new ATOM 1544 N ILE A 103 -30.054 -22.428 32.449 1.00 0.00 N ATOM 1545 CA ILE A 103 -30.790 -21.455 31.659 1.00 0.00 C ATOM 1546 C ILE A 103 -32.115 -21.136 32.318 1.00 0.00 C ATOM 1547 O ILE A 103 -32.894 -22.038 32.633 1.00 0.00 O ATOM 1548 CB ILE A 103 -31.078 -21.984 30.237 1.00 0.00 C ATOM 1549 CG1 ILE A 103 -29.784 -22.330 29.519 1.00 0.00 C ATOM 1550 CG2 ILE A 103 -31.877 -20.957 29.433 1.00 0.00 C ATOM 1551 CD1 ILE A 103 -30.004 -23.001 28.182 1.00 0.00 C ATOM 0 H ILE A 103 -30.404 -23.383 32.368 1.00 0.00 H new ATOM 0 HA ILE A 103 -30.170 -20.561 31.594 1.00 0.00 H new ATOM 0 HB ILE A 103 -31.674 -22.892 30.326 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -29.204 -21.419 29.370 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -29.188 -22.986 30.154 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -32.070 -21.348 28.434 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -32.824 -20.759 29.935 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -31.307 -20.031 29.357 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -29.040 -23.221 27.722 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -30.557 -23.929 28.327 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -30.573 -22.337 27.531 1.00 0.00 H new ATOM 1563 N LYS A 104 -32.359 -19.863 32.529 1.00 0.00 N ATOM 1564 CA LYS A 104 -33.592 -19.403 33.094 1.00 0.00 C ATOM 1565 C LYS A 104 -34.135 -18.236 32.345 1.00 0.00 C ATOM 1566 O LYS A 104 -33.430 -17.598 31.571 1.00 0.00 O ATOM 1567 CB LYS A 104 -33.432 -19.017 34.505 1.00 0.00 C ATOM 1568 CG LYS A 104 -33.461 -20.185 35.445 1.00 0.00 C ATOM 1569 CD LYS A 104 -33.538 -19.704 36.849 1.00 0.00 C ATOM 1570 CE LYS A 104 -34.813 -18.892 37.086 1.00 0.00 C ATOM 1571 NZ LYS A 104 -36.047 -19.711 36.923 1.00 0.00 N ATOM 0 H LYS A 104 -31.698 -19.118 32.309 1.00 0.00 H new ATOM 0 HA LYS A 104 -34.289 -20.238 33.023 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -32.488 -18.486 34.625 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -34.226 -18.321 34.777 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -34.318 -20.821 35.222 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -32.568 -20.794 35.309 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -33.514 -20.555 37.530 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -32.666 -19.091 37.074 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -34.790 -18.470 38.091 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -34.842 -18.054 36.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -36.876 -19.151 37.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -36.147 -19.994 35.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -35.981 -20.560 37.520 1.00 0.00 H new ATOM 1585 N ARG A 105 -35.384 -17.948 32.575 1.00 0.00 N ATOM 1586 CA ARG A 105 -35.998 -16.801 31.966 1.00 0.00 C ATOM 1587 C ARG A 105 -35.654 -15.573 32.774 1.00 0.00 C ATOM 1588 O ARG A 105 -35.612 -15.627 34.006 1.00 0.00 O ATOM 1589 CB ARG A 105 -37.509 -16.959 31.875 1.00 0.00 C ATOM 1590 CG ARG A 105 -37.964 -18.132 31.033 1.00 0.00 C ATOM 1591 CD ARG A 105 -39.472 -18.202 30.980 1.00 0.00 C ATOM 1592 NE ARG A 105 -40.033 -17.034 30.299 1.00 0.00 N ATOM 1593 CZ ARG A 105 -41.272 -16.592 30.459 1.00 0.00 C ATOM 1594 NH1 ARG A 105 -42.097 -17.203 31.299 1.00 0.00 N ATOM 1595 NH2 ARG A 105 -41.686 -15.531 29.780 1.00 0.00 N ATOM 0 H ARG A 105 -35.999 -18.492 33.181 1.00 0.00 H new ATOM 0 HA ARG A 105 -35.617 -16.701 30.950 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -37.912 -17.072 32.882 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -37.934 -16.044 31.462 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -37.564 -18.037 30.023 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -37.567 -19.059 31.447 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -39.778 -19.110 30.461 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -39.872 -18.263 31.992 1.00 0.00 H new ATOM 0 HE ARG A 105 -39.427 -16.524 29.656 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -41.779 -18.017 31.825 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -43.050 -16.859 31.419 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -41.051 -15.058 29.137 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -42.639 -15.188 29.901 1.00 0.00 H new ATOM 1609 N LYS A 106 -35.391 -14.483 32.091 1.00 0.00 N ATOM 1610 CA LYS A 106 -35.029 -13.243 32.748 1.00 0.00 C ATOM 1611 C LYS A 106 -36.125 -12.766 33.725 1.00 0.00 C ATOM 1612 O LYS A 106 -37.328 -12.934 33.471 1.00 0.00 O ATOM 1613 CB LYS A 106 -34.744 -12.155 31.717 1.00 0.00 C ATOM 1614 CG LYS A 106 -35.958 -11.737 30.908 1.00 0.00 C ATOM 1615 CD LYS A 106 -35.637 -10.585 29.974 1.00 0.00 C ATOM 1616 CE LYS A 106 -35.219 -9.347 30.742 1.00 0.00 C ATOM 1617 NZ LYS A 106 -34.950 -8.200 29.841 1.00 0.00 N ATOM 0 H LYS A 106 -35.421 -14.428 31.073 1.00 0.00 H new ATOM 0 HA LYS A 106 -34.126 -13.437 33.327 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -34.343 -11.280 32.229 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -33.970 -12.509 31.035 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -36.320 -12.586 30.328 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -36.763 -11.446 31.583 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -34.838 -10.879 29.293 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -36.510 -10.357 29.362 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -36.003 -9.077 31.449 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -34.325 -9.567 31.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -34.667 -7.374 30.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -34.184 -8.448 29.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -35.810 -7.973 29.302 1.00 0.00 H new