USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 571 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 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc=-0.00497 USER MOD Single : A 28 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -157:sc= -0.0477 (180deg=-0.362) USER MOD Single : A 30 THR OG1 : rot 78:sc= 0.112 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 30:sc= -2.06 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -131:sc= 0.471 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0265 USER MOD Single : A 67 TYR OH : rot 22:sc= -0.245 USER MOD Single : A 70 CYS SG : rot -99:sc= -0.428 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.74 X(o=-2.7,f=-3.2!) USER MOD Single : A 79 SER OG : rot -41:sc= 0.369 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -115:sc=-0.00318 (180deg=-0.265) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -118:sc= -0.6 (180deg=-0.812) USER MOD ----------------------------------------------------------------- ATOM 108 N MET A 11 6.639 -10.668 3.007 1.00 0.00 N ATOM 109 CA MET A 11 6.976 -9.898 1.816 1.00 0.00 C ATOM 110 C MET A 11 7.623 -8.567 2.188 1.00 0.00 C ATOM 111 O MET A 11 8.760 -8.291 1.808 1.00 0.00 O ATOM 112 CB MET A 11 5.724 -9.652 0.971 1.00 0.00 C ATOM 113 CG MET A 11 5.360 -10.818 0.068 1.00 0.00 C ATOM 114 SD MET A 11 4.526 -12.149 0.953 1.00 0.00 S ATOM 115 CE MET A 11 5.632 -13.520 0.625 1.00 0.00 C ATOM 0 HA MET A 11 7.693 -10.477 1.233 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.885 -9.441 1.634 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.878 -8.764 0.359 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.716 -10.462 -0.736 1.00 0.00 H new ATOM 0 HG3 MET A 11 6.265 -11.208 -0.398 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.250 -14.419 1.108 1.00 0.00 H new ATOM 0 HE2 MET A 11 5.697 -13.686 -0.450 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.623 -13.290 1.017 1.00 0.00 H new ATOM 125 N LEU A 12 6.888 -7.743 2.929 1.00 0.00 N ATOM 126 CA LEU A 12 7.391 -6.439 3.350 1.00 0.00 C ATOM 127 C LEU A 12 8.671 -6.583 4.165 1.00 0.00 C ATOM 128 O LEU A 12 9.606 -5.795 4.014 1.00 0.00 O ATOM 129 CB LEU A 12 6.330 -5.702 4.170 1.00 0.00 C ATOM 130 CG LEU A 12 5.233 -5.020 3.350 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.299 -4.236 4.258 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.843 -4.109 2.295 1.00 0.00 C ATOM 0 H LEU A 12 5.943 -7.955 3.250 1.00 0.00 H new ATOM 0 HA LEU A 12 7.618 -5.860 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.863 -6.412 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.825 -4.949 4.783 1.00 0.00 H new ATOM 0 HG LEU A 12 4.653 -5.791 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.525 -3.758 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.835 -4.913 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.866 -3.474 4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.048 -3.633 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.448 -3.344 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.471 -4.697 1.625 1.00 0.00 H new ATOM 144 N SER A 13 8.710 -7.591 5.030 1.00 0.00 N ATOM 145 CA SER A 13 9.877 -7.836 5.869 1.00 0.00 C ATOM 146 C SER A 13 11.123 -8.060 5.019 1.00 0.00 C ATOM 147 O SER A 13 12.214 -7.610 5.369 1.00 0.00 O ATOM 148 CB SER A 13 9.636 -9.045 6.774 1.00 0.00 C ATOM 149 OG SER A 13 9.672 -10.253 6.032 1.00 0.00 O ATOM 0 H SER A 13 7.946 -8.252 5.168 1.00 0.00 H new ATOM 0 HA SER A 13 10.038 -6.954 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.393 -9.073 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.669 -8.947 7.268 1.00 0.00 H new ATOM 0 HG SER A 13 9.517 -11.011 6.633 1.00 0.00 H new ATOM 155 N ALA A 14 10.953 -8.761 3.903 1.00 0.00 N ATOM 156 CA ALA A 14 12.064 -9.045 3.004 1.00 0.00 C ATOM 157 C ALA A 14 12.457 -7.805 2.206 1.00 0.00 C ATOM 158 O ALA A 14 13.627 -7.607 1.882 1.00 0.00 O ATOM 159 CB ALA A 14 11.705 -10.186 2.065 1.00 0.00 C ATOM 0 H ALA A 14 10.057 -9.142 3.600 1.00 0.00 H new ATOM 0 HA ALA A 14 12.921 -9.342 3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.544 -10.387 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.482 -11.080 2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.831 -9.910 1.474 1.00 0.00 H new ATOM 165 N LEU A 15 11.468 -6.973 1.893 1.00 0.00 N ATOM 166 CA LEU A 15 11.710 -5.751 1.134 1.00 0.00 C ATOM 167 C LEU A 15 12.373 -4.691 2.006 1.00 0.00 C ATOM 168 O LEU A 15 13.374 -4.089 1.616 1.00 0.00 O ATOM 169 CB LEU A 15 10.396 -5.212 0.565 1.00 0.00 C ATOM 170 CG LEU A 15 9.724 -6.109 -0.476 1.00 0.00 C ATOM 171 CD1 LEU A 15 8.349 -5.571 -0.835 1.00 0.00 C ATOM 172 CD2 LEU A 15 10.595 -6.224 -1.718 1.00 0.00 C ATOM 0 H LEU A 15 10.493 -7.123 2.153 1.00 0.00 H new ATOM 0 HA LEU A 15 12.384 -5.991 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.700 -5.052 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.586 -4.238 0.114 1.00 0.00 H new ATOM 0 HG LEU A 15 9.601 -7.104 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.886 -6.222 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.726 -5.539 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.447 -4.566 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.103 -6.865 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.748 -5.234 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.559 -6.655 -1.448 1.00 0.00 H new ATOM 184 N GLY A 16 11.808 -4.466 3.188 1.00 0.00 N ATOM 185 CA GLY A 16 12.358 -3.477 4.098 1.00 0.00 C ATOM 186 C GLY A 16 11.375 -2.366 4.409 1.00 0.00 C ATOM 187 O GLY A 16 11.763 -1.204 4.540 1.00 0.00 O ATOM 0 H GLY A 16 10.979 -4.951 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.654 -3.966 5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.260 -3.048 3.662 1.00 0.00 H new ATOM 191 N LEU A 17 10.100 -2.721 4.525 1.00 0.00 N ATOM 192 CA LEU A 17 9.059 -1.745 4.823 1.00 0.00 C ATOM 193 C LEU A 17 8.074 -2.295 5.851 1.00 0.00 C ATOM 194 O LEU A 17 7.974 -3.506 6.042 1.00 0.00 O ATOM 195 CB LEU A 17 8.314 -1.356 3.544 1.00 0.00 C ATOM 196 CG LEU A 17 7.618 0.005 3.587 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.639 1.120 3.749 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.787 0.218 2.332 1.00 0.00 C ATOM 0 H LEU A 17 9.763 -3.678 4.417 1.00 0.00 H new ATOM 0 HA LEU A 17 9.536 -0.859 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.021 -1.359 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.568 -2.121 3.329 1.00 0.00 H new ATOM 0 HG LEU A 17 6.950 0.024 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.126 2.081 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.191 0.975 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.332 1.103 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.299 1.191 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.434 0.179 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.031 -0.564 2.259 1.00 0.00 H new ATOM 210 N ARG A 18 7.350 -1.395 6.509 1.00 0.00 N ATOM 211 CA ARG A 18 6.373 -1.791 7.517 1.00 0.00 C ATOM 212 C ARG A 18 5.027 -1.119 7.263 1.00 0.00 C ATOM 213 O ARG A 18 4.899 -0.281 6.371 1.00 0.00 O ATOM 214 CB ARG A 18 6.879 -1.431 8.915 1.00 0.00 C ATOM 215 CG ARG A 18 7.911 -2.409 9.458 1.00 0.00 C ATOM 216 CD ARG A 18 7.551 -2.883 10.857 1.00 0.00 C ATOM 217 NE ARG A 18 7.303 -1.769 11.767 1.00 0.00 N ATOM 218 CZ ARG A 18 7.270 -1.886 13.094 1.00 0.00 C ATOM 219 NH1 ARG A 18 7.471 -3.067 13.666 1.00 0.00 N ATOM 220 NH2 ARG A 18 7.038 -0.821 13.848 1.00 0.00 N ATOM 0 H ARG A 18 7.421 -0.388 6.363 1.00 0.00 H new ATOM 0 HA ARG A 18 6.238 -2.871 7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.315 -0.432 8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.032 -1.391 9.600 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.986 -3.267 8.790 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.891 -1.932 9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.664 -3.515 10.808 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.360 -3.499 11.250 1.00 0.00 H new ATOM 0 HE ARG A 18 7.146 -0.846 11.363 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.651 -3.889 13.089 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.445 -3.153 14.682 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.885 0.089 13.413 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.013 -0.911 14.864 1.00 0.00 H new ATOM 234 N LEU A 19 4.027 -1.494 8.053 1.00 0.00 N ATOM 235 CA LEU A 19 2.690 -0.929 7.913 1.00 0.00 C ATOM 236 C LEU A 19 2.627 0.474 8.507 1.00 0.00 C ATOM 237 O LEU A 19 3.381 0.806 9.422 1.00 0.00 O ATOM 238 CB LEU A 19 1.658 -1.830 8.594 1.00 0.00 C ATOM 239 CG LEU A 19 1.487 -3.211 7.959 1.00 0.00 C ATOM 240 CD1 LEU A 19 0.547 -4.068 8.793 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.971 -3.081 6.534 1.00 0.00 C ATOM 0 H LEU A 19 4.117 -2.186 8.797 1.00 0.00 H new ATOM 0 HA LEU A 19 2.460 -0.865 6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.943 -1.959 9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.694 -1.322 8.588 1.00 0.00 H new ATOM 0 HG LEU A 19 2.461 -3.700 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.437 -5.047 8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.957 -4.188 9.796 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.428 -3.584 8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.855 -4.073 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.007 -2.573 6.541 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.681 -2.504 5.941 1.00 0.00 H new ATOM 253 N GLY A 20 1.724 1.294 7.981 1.00 0.00 N ATOM 254 CA GLY A 20 1.579 2.652 8.471 1.00 0.00 C ATOM 255 C GLY A 20 2.358 3.654 7.643 1.00 0.00 C ATOM 256 O GLY A 20 1.889 4.767 7.400 1.00 0.00 O ATOM 0 H GLY A 20 1.089 1.042 7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.524 2.925 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.918 2.699 9.506 1.00 0.00 H new ATOM 260 N ASP A 21 3.551 3.260 7.208 1.00 0.00 N ATOM 261 CA ASP A 21 4.397 4.132 6.404 1.00 0.00 C ATOM 262 C ASP A 21 3.768 4.390 5.037 1.00 0.00 C ATOM 263 O ASP A 21 2.894 3.645 4.595 1.00 0.00 O ATOM 264 CB ASP A 21 5.785 3.512 6.231 1.00 0.00 C ATOM 265 CG ASP A 21 6.897 4.532 6.389 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.630 5.736 6.194 1.00 0.00 O ATOM 267 OD2 ASP A 21 8.034 4.125 6.710 1.00 0.00 O ATOM 0 H ASP A 21 3.953 2.342 7.399 1.00 0.00 H new ATOM 0 HA ASP A 21 4.495 5.084 6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.919 2.716 6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.854 3.052 5.245 1.00 0.00 H new ATOM 272 N ARG A 22 4.218 5.451 4.375 1.00 0.00 N ATOM 273 CA ARG A 22 3.698 5.808 3.061 1.00 0.00 C ATOM 274 C ARG A 22 4.635 5.328 1.956 1.00 0.00 C ATOM 275 O ARG A 22 5.822 5.104 2.189 1.00 0.00 O ATOM 276 CB ARG A 22 3.504 7.322 2.959 1.00 0.00 C ATOM 277 CG ARG A 22 2.432 7.862 3.890 1.00 0.00 C ATOM 278 CD ARG A 22 2.618 9.348 4.155 1.00 0.00 C ATOM 279 NE ARG A 22 2.432 9.680 5.565 1.00 0.00 N ATOM 280 CZ ARG A 22 2.303 10.923 6.023 1.00 0.00 C ATOM 281 NH1 ARG A 22 2.336 11.953 5.188 1.00 0.00 N ATOM 282 NH2 ARG A 22 2.139 11.136 7.322 1.00 0.00 N ATOM 0 H ARG A 22 4.941 6.078 4.727 1.00 0.00 H new ATOM 0 HA ARG A 22 2.734 5.316 2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.449 7.817 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.244 7.578 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.449 7.690 3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.460 7.317 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.617 9.650 3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.909 9.915 3.552 1.00 0.00 H new ATOM 0 HE ARG A 22 2.399 8.914 6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.461 11.795 4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.236 12.903 5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.112 10.348 7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.040 12.088 7.674 1.00 0.00 H new ATOM 296 N VAL A 23 4.092 5.173 0.753 1.00 0.00 N ATOM 297 CA VAL A 23 4.879 4.721 -0.388 1.00 0.00 C ATOM 298 C VAL A 23 4.563 5.541 -1.633 1.00 0.00 C ATOM 299 O VAL A 23 3.557 6.250 -1.684 1.00 0.00 O ATOM 300 CB VAL A 23 4.625 3.232 -0.691 1.00 0.00 C ATOM 301 CG1 VAL A 23 5.309 2.352 0.344 1.00 0.00 C ATOM 302 CG2 VAL A 23 3.132 2.946 -0.743 1.00 0.00 C ATOM 0 H VAL A 23 3.110 5.354 0.543 1.00 0.00 H new ATOM 0 HA VAL A 23 5.927 4.857 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 23 5.050 3.000 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.118 1.304 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.383 2.538 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.917 2.583 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.971 1.890 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.680 3.194 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.673 3.550 -1.526 1.00 0.00 H new ATOM 312 N LEU A 24 5.428 5.441 -2.637 1.00 0.00 N ATOM 313 CA LEU A 24 5.241 6.175 -3.884 1.00 0.00 C ATOM 314 C LEU A 24 4.579 5.293 -4.938 1.00 0.00 C ATOM 315 O LEU A 24 5.160 4.307 -5.391 1.00 0.00 O ATOM 316 CB LEU A 24 6.584 6.691 -4.403 1.00 0.00 C ATOM 317 CG LEU A 24 6.527 8.047 -5.107 1.00 0.00 C ATOM 318 CD1 LEU A 24 5.971 9.110 -4.172 1.00 0.00 C ATOM 319 CD2 LEU A 24 7.907 8.445 -5.608 1.00 0.00 C ATOM 0 H LEU A 24 6.265 4.859 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 24 4.588 7.024 -3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.277 6.763 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.996 5.956 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 24 5.861 7.962 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.938 10.069 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.964 8.830 -3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.612 9.194 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.848 9.413 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.595 8.512 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.269 7.696 -6.312 1.00 0.00 H new ATOM 331 N LEU A 25 3.360 5.656 -5.325 1.00 0.00 N ATOM 332 CA LEU A 25 2.619 4.898 -6.326 1.00 0.00 C ATOM 333 C LEU A 25 2.964 5.373 -7.734 1.00 0.00 C ATOM 334 O LEU A 25 2.699 6.520 -8.095 1.00 0.00 O ATOM 335 CB LEU A 25 1.114 5.030 -6.084 1.00 0.00 C ATOM 336 CG LEU A 25 0.640 4.594 -4.697 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.852 4.838 -4.541 1.00 0.00 C ATOM 338 CD2 LEU A 25 0.970 3.128 -4.458 1.00 0.00 C ATOM 0 H LEU A 25 2.865 6.470 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 25 2.904 3.850 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.826 6.070 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.588 4.439 -6.833 1.00 0.00 H new ATOM 0 HG LEU A 25 1.164 5.191 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.171 4.522 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.062 5.900 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.395 4.268 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.626 2.835 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.473 2.516 -5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.048 2.982 -4.526 1.00 0.00 H new ATOM 350 N ASP A 26 3.555 4.484 -8.525 1.00 0.00 N ATOM 351 CA ASP A 26 3.935 4.812 -9.894 1.00 0.00 C ATOM 352 C ASP A 26 4.939 5.961 -9.922 1.00 0.00 C ATOM 353 O ASP A 26 5.011 6.712 -10.895 1.00 0.00 O ATOM 354 CB ASP A 26 2.697 5.181 -10.715 1.00 0.00 C ATOM 355 CG ASP A 26 2.177 4.015 -11.533 1.00 0.00 C ATOM 356 OD1 ASP A 26 1.692 3.035 -10.928 1.00 0.00 O ATOM 357 OD2 ASP A 26 2.255 4.081 -12.778 1.00 0.00 O ATOM 0 H ASP A 26 3.781 3.531 -8.242 1.00 0.00 H new ATOM 0 HA ASP A 26 4.406 3.932 -10.333 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.911 5.530 -10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.940 6.009 -11.381 1.00 0.00 H new ATOM 362 N GLY A 27 5.712 6.094 -8.847 1.00 0.00 N ATOM 363 CA GLY A 27 6.701 7.155 -8.772 1.00 0.00 C ATOM 364 C GLY A 27 6.088 8.532 -8.938 1.00 0.00 C ATOM 365 O GLY A 27 6.732 9.447 -9.451 1.00 0.00 O ATOM 0 H GLY A 27 5.671 5.487 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.214 7.102 -7.812 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.454 7.001 -9.544 1.00 0.00 H new ATOM 369 N GLN A 28 4.842 8.679 -8.501 1.00 0.00 N ATOM 370 CA GLN A 28 4.141 9.953 -8.605 1.00 0.00 C ATOM 371 C GLN A 28 3.194 10.150 -7.425 1.00 0.00 C ATOM 372 O GLN A 28 3.427 10.998 -6.564 1.00 0.00 O ATOM 373 CB GLN A 28 3.359 10.025 -9.918 1.00 0.00 C ATOM 374 CG GLN A 28 4.199 10.475 -11.101 1.00 0.00 C ATOM 375 CD GLN A 28 4.355 11.982 -11.166 1.00 0.00 C ATOM 376 OE1 GLN A 28 3.592 12.669 -11.844 1.00 0.00 O ATOM 377 NE2 GLN A 28 5.350 12.503 -10.457 1.00 0.00 N ATOM 0 H GLN A 28 4.297 7.932 -8.071 1.00 0.00 H new ATOM 0 HA GLN A 28 4.884 10.750 -8.590 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.937 9.043 -10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.521 10.712 -9.795 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.185 10.014 -11.038 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.739 10.121 -12.024 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.959 11.895 -9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.506 13.511 -10.461 1.00 0.00 H new ATOM 386 N LYS A 29 2.126 9.361 -7.393 1.00 0.00 N ATOM 387 CA LYS A 29 1.143 9.448 -6.320 1.00 0.00 C ATOM 388 C LYS A 29 1.737 8.975 -4.998 1.00 0.00 C ATOM 389 O LYS A 29 2.780 8.321 -4.974 1.00 0.00 O ATOM 390 CB LYS A 29 -0.094 8.616 -6.663 1.00 0.00 C ATOM 391 CG LYS A 29 -1.087 9.342 -7.557 1.00 0.00 C ATOM 392 CD LYS A 29 -0.664 9.287 -9.017 1.00 0.00 C ATOM 393 CE LYS A 29 0.016 10.577 -9.448 1.00 0.00 C ATOM 394 NZ LYS A 29 -0.928 11.729 -9.449 1.00 0.00 N ATOM 0 H LYS A 29 1.919 8.654 -8.098 1.00 0.00 H new ATOM 0 HA LYS A 29 0.851 10.493 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.222 7.697 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.594 8.326 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.074 8.894 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.171 10.382 -7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.015 8.448 -9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.538 9.108 -9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.848 10.790 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.435 10.450 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.574 12.468 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.864 11.411 -9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.007 12.114 -8.486 1.00 0.00 H new ATOM 408 N THR A 30 1.067 9.309 -3.899 1.00 0.00 N ATOM 409 CA THR A 30 1.529 8.917 -2.573 1.00 0.00 C ATOM 410 C THR A 30 0.382 8.350 -1.743 1.00 0.00 C ATOM 411 O THR A 30 -0.727 8.886 -1.751 1.00 0.00 O ATOM 412 CB THR A 30 2.151 10.115 -1.853 1.00 0.00 C ATOM 413 OG1 THR A 30 1.177 11.114 -1.608 1.00 0.00 O ATOM 414 CG2 THR A 30 3.283 10.756 -2.625 1.00 0.00 C ATOM 0 H THR A 30 0.202 9.850 -3.901 1.00 0.00 H new ATOM 0 HA THR A 30 2.285 8.141 -2.693 1.00 0.00 H new ATOM 0 HB THR A 30 2.550 9.716 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.629 10.855 -0.838 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.679 11.599 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.074 10.024 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.913 11.108 -3.588 1.00 0.00 H new ATOM 422 N GLY A 31 0.656 7.263 -1.029 1.00 0.00 N ATOM 423 CA GLY A 31 -0.364 6.643 -0.204 1.00 0.00 C ATOM 424 C GLY A 31 0.203 6.045 1.068 1.00 0.00 C ATOM 425 O GLY A 31 1.419 5.939 1.224 1.00 0.00 O ATOM 0 H GLY A 31 1.565 6.801 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.120 7.385 0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.865 5.863 -0.777 1.00 0.00 H new ATOM 429 N THR A 32 -0.682 5.653 1.980 1.00 0.00 N ATOM 430 CA THR A 32 -0.263 5.062 3.246 1.00 0.00 C ATOM 431 C THR A 32 -0.484 3.554 3.242 1.00 0.00 C ATOM 432 O THR A 32 -1.557 3.075 2.875 1.00 0.00 O ATOM 433 CB THR A 32 -1.029 5.699 4.407 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.199 7.089 4.193 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.343 5.522 5.745 1.00 0.00 C ATOM 0 H THR A 32 -1.692 5.734 1.866 1.00 0.00 H new ATOM 0 HA THR A 32 0.802 5.254 3.374 1.00 0.00 H new ATOM 0 HB THR A 32 -1.989 5.183 4.437 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.692 7.478 4.945 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.938 5.997 6.525 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.240 4.459 5.963 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.644 5.982 5.711 1.00 0.00 H new ATOM 443 N LEU A 33 0.537 2.810 3.653 1.00 0.00 N ATOM 444 CA LEU A 33 0.453 1.354 3.697 1.00 0.00 C ATOM 445 C LEU A 33 -0.460 0.896 4.828 1.00 0.00 C ATOM 446 O LEU A 33 -0.449 1.467 5.919 1.00 0.00 O ATOM 447 CB LEU A 33 1.846 0.747 3.872 1.00 0.00 C ATOM 448 CG LEU A 33 2.062 -0.595 3.170 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.783 -0.467 1.680 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.477 -1.099 3.408 1.00 0.00 C ATOM 0 H LEU A 33 1.432 3.190 3.960 1.00 0.00 H new ATOM 0 HA LEU A 33 0.031 1.011 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.584 1.457 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.038 0.617 4.937 1.00 0.00 H new ATOM 0 HG LEU A 33 1.365 -1.320 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.941 -1.431 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.751 -0.150 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.456 0.272 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.613 -2.055 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.192 -0.375 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.642 -1.229 4.478 1.00 0.00 H new ATOM 462 N ARG A 34 -1.251 -0.138 4.562 1.00 0.00 N ATOM 463 CA ARG A 34 -2.172 -0.673 5.559 1.00 0.00 C ATOM 464 C ARG A 34 -2.198 -2.197 5.511 1.00 0.00 C ATOM 465 O ARG A 34 -2.101 -2.862 6.543 1.00 0.00 O ATOM 466 CB ARG A 34 -3.579 -0.118 5.332 1.00 0.00 C ATOM 467 CG ARG A 34 -3.680 1.385 5.538 1.00 0.00 C ATOM 468 CD ARG A 34 -5.098 1.808 5.891 1.00 0.00 C ATOM 469 NE ARG A 34 -5.140 2.619 7.106 1.00 0.00 N ATOM 470 CZ ARG A 34 -5.074 2.115 8.336 1.00 0.00 C ATOM 471 NH1 ARG A 34 -4.961 0.805 8.519 1.00 0.00 N ATOM 472 NH2 ARG A 34 -5.121 2.923 9.386 1.00 0.00 N ATOM 0 H ARG A 34 -1.273 -0.622 3.665 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.823 -0.365 6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.897 -0.360 4.318 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.271 -0.617 6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.000 1.690 6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.361 1.899 4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.525 2.373 5.063 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.718 0.922 6.025 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.225 3.630 7.005 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.924 0.179 7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.911 0.425 9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.208 3.930 9.251 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.070 2.537 10.329 1.00 0.00 H new ATOM 486 N PHE A 35 -2.332 -2.745 4.307 1.00 0.00 N ATOM 487 CA PHE A 35 -2.371 -4.192 4.125 1.00 0.00 C ATOM 488 C PHE A 35 -1.112 -4.684 3.419 1.00 0.00 C ATOM 489 O PHE A 35 -0.510 -3.961 2.625 1.00 0.00 O ATOM 490 CB PHE A 35 -3.610 -4.593 3.323 1.00 0.00 C ATOM 491 CG PHE A 35 -3.745 -6.076 3.130 1.00 0.00 C ATOM 492 CD1 PHE A 35 -4.089 -6.898 4.191 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.528 -6.649 1.887 1.00 0.00 C ATOM 494 CE1 PHE A 35 -4.214 -8.263 4.017 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.650 -8.014 1.706 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.993 -8.821 2.773 1.00 0.00 C ATOM 0 H PHE A 35 -2.415 -2.209 3.443 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.419 -4.657 5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.499 -4.218 3.831 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.573 -4.109 2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.262 -6.467 5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.260 -6.022 1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.484 -8.892 4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.477 -8.448 0.732 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.088 -9.888 2.635 1.00 0.00 H new ATOM 506 N CYS A 36 -0.720 -5.919 3.712 1.00 0.00 N ATOM 507 CA CYS A 36 0.468 -6.509 3.105 1.00 0.00 C ATOM 508 C CYS A 36 0.416 -8.032 3.176 1.00 0.00 C ATOM 509 O CYS A 36 0.330 -8.611 4.259 1.00 0.00 O ATOM 510 CB CYS A 36 1.729 -5.998 3.802 1.00 0.00 C ATOM 511 SG CYS A 36 1.850 -6.464 5.545 1.00 0.00 S ATOM 0 H CYS A 36 -1.207 -6.531 4.366 1.00 0.00 H new ATOM 0 HA CYS A 36 0.495 -6.213 2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.603 -6.379 3.274 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.759 -4.911 3.725 1.00 0.00 H new ATOM 0 HG CYS A 36 1.240 -7.596 5.735 1.00 0.00 H new ATOM 517 N GLY A 37 0.468 -8.675 2.014 1.00 0.00 N ATOM 518 CA GLY A 37 0.426 -10.125 1.966 1.00 0.00 C ATOM 519 C GLY A 37 -0.336 -10.644 0.762 1.00 0.00 C ATOM 520 O GLY A 37 -0.226 -10.094 -0.334 1.00 0.00 O ATOM 0 H GLY A 37 0.538 -8.218 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.444 -10.514 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.039 -10.502 2.877 1.00 0.00 H new ATOM 524 N THR A 38 -1.108 -11.706 0.965 1.00 0.00 N ATOM 525 CA THR A 38 -1.890 -12.299 -0.113 1.00 0.00 C ATOM 526 C THR A 38 -3.256 -11.629 -0.227 1.00 0.00 C ATOM 527 O THR A 38 -3.555 -10.679 0.497 1.00 0.00 O ATOM 528 CB THR A 38 -2.064 -13.800 0.123 1.00 0.00 C ATOM 529 OG1 THR A 38 -2.938 -14.039 1.211 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.762 -14.515 0.413 1.00 0.00 C ATOM 0 H THR A 38 -1.209 -12.174 1.866 1.00 0.00 H new ATOM 0 HA THR A 38 -1.351 -12.144 -1.048 1.00 0.00 H new ATOM 0 HB THR A 38 -2.476 -14.193 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.038 -15.005 1.345 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.957 -15.576 0.571 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.084 -14.392 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.307 -14.093 1.309 1.00 0.00 H new ATOM 538 N THR A 39 -4.079 -12.129 -1.142 1.00 0.00 N ATOM 539 CA THR A 39 -5.413 -11.579 -1.353 1.00 0.00 C ATOM 540 C THR A 39 -6.449 -12.692 -1.469 1.00 0.00 C ATOM 541 O THR A 39 -6.102 -13.869 -1.558 1.00 0.00 O ATOM 542 CB THR A 39 -5.437 -10.713 -2.613 1.00 0.00 C ATOM 543 OG1 THR A 39 -4.501 -11.186 -3.565 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.121 -9.257 -2.345 1.00 0.00 C ATOM 0 H THR A 39 -3.846 -12.914 -1.750 1.00 0.00 H new ATOM 0 HA THR A 39 -5.664 -10.962 -0.490 1.00 0.00 H new ATOM 0 HB THR A 39 -6.457 -10.784 -2.992 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.961 -10.437 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.155 -8.699 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.855 -8.847 -1.651 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.125 -9.175 -1.910 1.00 0.00 H new ATOM 552 N GLU A 40 -7.723 -12.312 -1.466 1.00 0.00 N ATOM 553 CA GLU A 40 -8.809 -13.278 -1.571 1.00 0.00 C ATOM 554 C GLU A 40 -9.462 -13.216 -2.948 1.00 0.00 C ATOM 555 O GLU A 40 -9.714 -14.246 -3.575 1.00 0.00 O ATOM 556 CB GLU A 40 -9.856 -13.020 -0.484 1.00 0.00 C ATOM 557 CG GLU A 40 -9.700 -13.915 0.735 1.00 0.00 C ATOM 558 CD GLU A 40 -10.735 -15.021 0.782 1.00 0.00 C ATOM 559 OE1 GLU A 40 -11.939 -14.714 0.654 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.343 -16.196 0.947 1.00 0.00 O ATOM 0 H GLU A 40 -8.028 -11.341 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.390 -14.275 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.793 -11.978 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.850 -13.166 -0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.703 -14.355 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.779 -13.310 1.638 1.00 0.00 H new ATOM 567 N PHE A 41 -9.732 -12.002 -3.416 1.00 0.00 N ATOM 568 CA PHE A 41 -10.355 -11.805 -4.720 1.00 0.00 C ATOM 569 C PHE A 41 -9.371 -12.106 -5.847 1.00 0.00 C ATOM 570 O PHE A 41 -9.772 -12.480 -6.950 1.00 0.00 O ATOM 571 CB PHE A 41 -10.874 -10.371 -4.850 1.00 0.00 C ATOM 572 CG PHE A 41 -9.844 -9.328 -4.522 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.936 -8.908 -5.480 1.00 0.00 C ATOM 574 CD2 PHE A 41 -9.787 -8.766 -3.257 1.00 0.00 C ATOM 575 CE1 PHE A 41 -7.987 -7.948 -5.180 1.00 0.00 C ATOM 576 CE2 PHE A 41 -8.842 -7.805 -2.952 1.00 0.00 C ATOM 577 CZ PHE A 41 -7.941 -7.396 -3.915 1.00 0.00 C ATOM 0 H PHE A 41 -9.529 -11.139 -2.911 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.193 -12.497 -4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -11.228 -10.212 -5.869 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.732 -10.243 -4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.970 -9.335 -6.472 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -10.489 -9.083 -2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.282 -7.630 -5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.808 -7.375 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.201 -6.645 -3.679 1.00 0.00 H new ATOM 587 N ALA A 42 -8.082 -11.943 -5.564 1.00 0.00 N ATOM 588 CA ALA A 42 -7.044 -12.198 -6.555 1.00 0.00 C ATOM 589 C ALA A 42 -6.004 -13.174 -6.017 1.00 0.00 C ATOM 590 O ALA A 42 -6.204 -13.796 -4.974 1.00 0.00 O ATOM 591 CB ALA A 42 -6.382 -10.894 -6.974 1.00 0.00 C ATOM 0 H ALA A 42 -7.732 -11.636 -4.656 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.512 -12.650 -7.429 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.609 -11.100 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.130 -10.229 -7.406 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.932 -10.418 -6.103 1.00 0.00 H new ATOM 597 N SER A 43 -4.893 -13.304 -6.734 1.00 0.00 N ATOM 598 CA SER A 43 -3.823 -14.206 -6.325 1.00 0.00 C ATOM 599 C SER A 43 -2.476 -13.490 -6.333 1.00 0.00 C ATOM 600 O SER A 43 -2.383 -12.324 -6.716 1.00 0.00 O ATOM 601 CB SER A 43 -3.771 -15.423 -7.250 1.00 0.00 C ATOM 602 OG SER A 43 -3.171 -15.098 -8.490 1.00 0.00 O ATOM 0 H SER A 43 -4.710 -12.797 -7.600 1.00 0.00 H new ATOM 0 HA SER A 43 -4.032 -14.540 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.209 -16.224 -6.770 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.780 -15.798 -7.419 1.00 0.00 H new ATOM 0 HG SER A 43 -3.149 -15.894 -9.061 1.00 0.00 H new ATOM 608 N GLY A 44 -1.434 -14.197 -5.905 1.00 0.00 N ATOM 609 CA GLY A 44 -0.106 -13.614 -5.870 1.00 0.00 C ATOM 610 C GLY A 44 0.121 -12.759 -4.638 1.00 0.00 C ATOM 611 O GLY A 44 -0.438 -13.032 -3.576 1.00 0.00 O ATOM 0 H GLY A 44 -1.486 -15.163 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.638 -14.410 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.044 -13.007 -6.763 1.00 0.00 H new ATOM 615 N GLN A 45 0.943 -11.725 -4.781 1.00 0.00 N ATOM 616 CA GLN A 45 1.242 -10.828 -3.671 1.00 0.00 C ATOM 617 C GLN A 45 0.727 -9.421 -3.954 1.00 0.00 C ATOM 618 O GLN A 45 1.023 -8.839 -4.997 1.00 0.00 O ATOM 619 CB GLN A 45 2.749 -10.789 -3.411 1.00 0.00 C ATOM 620 CG GLN A 45 3.289 -12.056 -2.768 1.00 0.00 C ATOM 621 CD GLN A 45 3.809 -13.052 -3.786 1.00 0.00 C ATOM 622 OE1 GLN A 45 3.152 -14.046 -4.093 1.00 0.00 O ATOM 623 NE2 GLN A 45 4.998 -12.788 -4.316 1.00 0.00 N ATOM 0 H GLN A 45 1.414 -11.487 -5.654 1.00 0.00 H new ATOM 0 HA GLN A 45 0.737 -11.209 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.268 -10.621 -4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.976 -9.940 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.092 -11.795 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.501 -12.524 -2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.509 -11.952 -4.032 1.00 0.00 H new ATOM 0 HE22 GLN A 45 5.401 -13.421 -5.007 1.00 0.00 H new ATOM 632 N TRP A 46 -0.047 -8.880 -3.019 1.00 0.00 N ATOM 633 CA TRP A 46 -0.603 -7.540 -3.169 1.00 0.00 C ATOM 634 C TRP A 46 -0.440 -6.736 -1.883 1.00 0.00 C ATOM 635 O TRP A 46 0.024 -7.256 -0.869 1.00 0.00 O ATOM 636 CB TRP A 46 -2.082 -7.621 -3.550 1.00 0.00 C ATOM 637 CG TRP A 46 -2.315 -8.227 -4.899 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.196 -9.544 -5.238 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.705 -7.539 -6.093 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.489 -9.718 -6.569 1.00 0.00 N ATOM 641 CE2 TRP A 46 -2.805 -8.502 -7.116 1.00 0.00 C ATOM 642 CE3 TRP A 46 -2.981 -6.203 -6.397 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.168 -8.170 -8.419 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.341 -5.875 -7.692 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.432 -6.854 -8.688 1.00 0.00 C ATOM 0 H TRP A 46 -0.303 -9.348 -2.150 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.057 -7.033 -3.964 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.611 -8.208 -2.800 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.510 -6.619 -3.531 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.913 -10.334 -4.559 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.474 -10.607 -7.068 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.914 -5.441 -5.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.239 -8.924 -9.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.556 -4.846 -7.939 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.716 -6.565 -9.689 1.00 0.00 H new ATOM 656 N VAL A 47 -0.824 -5.464 -1.934 1.00 0.00 N ATOM 657 CA VAL A 47 -0.719 -4.588 -0.775 1.00 0.00 C ATOM 658 C VAL A 47 -1.769 -3.482 -0.823 1.00 0.00 C ATOM 659 O VAL A 47 -2.068 -2.944 -1.889 1.00 0.00 O ATOM 660 CB VAL A 47 0.678 -3.949 -0.677 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.737 -5.012 -0.428 1.00 0.00 C ATOM 662 CG2 VAL A 47 0.993 -3.158 -1.940 1.00 0.00 C ATOM 0 H VAL A 47 -1.210 -5.018 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.889 -5.209 0.105 1.00 0.00 H new ATOM 0 HB VAL A 47 0.683 -3.260 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.717 -4.540 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.520 -5.530 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.734 -5.728 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.984 -2.713 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.969 -3.824 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.252 -2.369 -2.070 1.00 0.00 H new ATOM 672 N GLY A 48 -2.324 -3.149 0.337 1.00 0.00 N ATOM 673 CA GLY A 48 -3.334 -2.109 0.404 1.00 0.00 C ATOM 674 C GLY A 48 -2.748 -0.754 0.748 1.00 0.00 C ATOM 675 O GLY A 48 -2.107 -0.593 1.787 1.00 0.00 O ATOM 0 H GLY A 48 -2.093 -3.580 1.232 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.850 -2.046 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.080 -2.379 1.151 1.00 0.00 H new ATOM 679 N VAL A 49 -2.965 0.224 -0.126 1.00 0.00 N ATOM 680 CA VAL A 49 -2.453 1.571 0.090 1.00 0.00 C ATOM 681 C VAL A 49 -3.572 2.604 0.023 1.00 0.00 C ATOM 682 O VAL A 49 -4.422 2.555 -0.865 1.00 0.00 O ATOM 683 CB VAL A 49 -1.372 1.934 -0.946 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.709 3.255 -0.585 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.339 0.822 -1.053 1.00 0.00 C ATOM 0 H VAL A 49 -3.493 0.108 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.011 1.584 1.086 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.851 2.048 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.052 3.495 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.459 4.045 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.244 3.172 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.416 1.097 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.137 0.673 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.829 -0.101 -1.363 1.00 0.00 H new ATOM 695 N GLU A 50 -3.564 3.539 0.967 1.00 0.00 N ATOM 696 CA GLU A 50 -4.577 4.587 1.014 1.00 0.00 C ATOM 697 C GLU A 50 -4.081 5.855 0.326 1.00 0.00 C ATOM 698 O GLU A 50 -3.009 6.366 0.647 1.00 0.00 O ATOM 699 CB GLU A 50 -4.957 4.894 2.464 1.00 0.00 C ATOM 700 CG GLU A 50 -6.434 5.201 2.654 1.00 0.00 C ATOM 701 CD GLU A 50 -6.787 5.489 4.100 1.00 0.00 C ATOM 702 OE1 GLU A 50 -6.553 6.629 4.552 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.298 4.574 4.780 1.00 0.00 O ATOM 0 H GLU A 50 -2.867 3.593 1.710 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.459 4.229 0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.688 4.043 3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.370 5.744 2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.705 6.060 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.026 4.356 2.300 1.00 0.00 H new ATOM 710 N LEU A 51 -4.867 6.356 -0.620 1.00 0.00 N ATOM 711 CA LEU A 51 -4.506 7.564 -1.353 1.00 0.00 C ATOM 712 C LEU A 51 -4.632 8.798 -0.466 1.00 0.00 C ATOM 713 O LEU A 51 -5.693 9.062 0.100 1.00 0.00 O ATOM 714 CB LEU A 51 -5.392 7.718 -2.591 1.00 0.00 C ATOM 715 CG LEU A 51 -5.131 6.703 -3.706 1.00 0.00 C ATOM 716 CD1 LEU A 51 -6.120 6.895 -4.844 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.701 6.826 -4.212 1.00 0.00 C ATOM 0 H LEU A 51 -5.758 5.945 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.467 7.471 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.435 7.638 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.255 8.721 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.267 5.701 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.919 6.165 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.135 6.757 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.016 7.901 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.532 6.097 -5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.538 7.831 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.008 6.638 -3.392 1.00 0.00 H new ATOM 729 N ASP A 52 -3.542 9.550 -0.350 1.00 0.00 N ATOM 730 CA ASP A 52 -3.530 10.757 0.469 1.00 0.00 C ATOM 731 C ASP A 52 -4.470 11.813 -0.105 1.00 0.00 C ATOM 732 O ASP A 52 -5.394 12.267 0.568 1.00 0.00 O ATOM 733 CB ASP A 52 -2.111 11.318 0.566 1.00 0.00 C ATOM 734 CG ASP A 52 -1.177 10.400 1.329 1.00 0.00 C ATOM 735 OD1 ASP A 52 -1.191 10.442 2.577 1.00 0.00 O ATOM 736 OD2 ASP A 52 -0.432 9.636 0.679 1.00 0.00 O ATOM 0 H ASP A 52 -2.656 9.345 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.877 10.492 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.718 11.479 -0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.141 12.291 1.057 1.00 0.00 H new ATOM 741 N GLU A 53 -4.226 12.198 -1.353 1.00 0.00 N ATOM 742 CA GLU A 53 -5.051 13.200 -2.018 1.00 0.00 C ATOM 743 C GLU A 53 -6.495 12.719 -2.144 1.00 0.00 C ATOM 744 O GLU A 53 -6.780 11.534 -1.977 1.00 0.00 O ATOM 745 CB GLU A 53 -4.482 13.522 -3.403 1.00 0.00 C ATOM 746 CG GLU A 53 -3.694 14.820 -3.449 1.00 0.00 C ATOM 747 CD GLU A 53 -3.977 15.631 -4.699 1.00 0.00 C ATOM 748 OE1 GLU A 53 -5.105 15.531 -5.227 1.00 0.00 O ATOM 749 OE2 GLU A 53 -3.072 16.364 -5.148 1.00 0.00 O ATOM 0 H GLU A 53 -3.464 11.832 -1.924 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.042 14.105 -1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.837 12.703 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.302 13.578 -4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.935 15.418 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.628 14.596 -3.400 1.00 0.00 H new ATOM 756 N PRO A 54 -7.428 13.638 -2.443 1.00 0.00 N ATOM 757 CA PRO A 54 -8.848 13.301 -2.592 1.00 0.00 C ATOM 758 C PRO A 54 -9.118 12.478 -3.846 1.00 0.00 C ATOM 759 O PRO A 54 -9.688 12.975 -4.818 1.00 0.00 O ATOM 760 CB PRO A 54 -9.530 14.668 -2.689 1.00 0.00 C ATOM 761 CG PRO A 54 -8.477 15.580 -3.217 1.00 0.00 C ATOM 762 CD PRO A 54 -7.175 15.074 -2.660 1.00 0.00 C ATOM 0 HA PRO A 54 -9.211 12.688 -1.767 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.393 14.633 -3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.890 15.001 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.465 15.572 -4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.661 16.609 -2.907 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.351 15.236 -3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.912 15.580 -1.731 1.00 0.00 H new ATOM 770 N GLU A 55 -8.706 11.214 -3.819 1.00 0.00 N ATOM 771 CA GLU A 55 -8.903 10.320 -4.953 1.00 0.00 C ATOM 772 C GLU A 55 -8.954 8.865 -4.497 1.00 0.00 C ATOM 773 O GLU A 55 -8.651 8.555 -3.345 1.00 0.00 O ATOM 774 CB GLU A 55 -7.781 10.506 -5.977 1.00 0.00 C ATOM 775 CG GLU A 55 -8.235 10.324 -7.416 1.00 0.00 C ATOM 776 CD GLU A 55 -7.336 9.387 -8.200 1.00 0.00 C ATOM 777 OE1 GLU A 55 -6.153 9.733 -8.401 1.00 0.00 O ATOM 778 OE2 GLU A 55 -7.815 8.311 -8.611 1.00 0.00 O ATOM 0 H GLU A 55 -8.233 10.786 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.856 10.570 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.357 11.504 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.984 9.794 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.253 9.936 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.260 11.295 -7.910 1.00 0.00 H new ATOM 785 N GLY A 56 -9.340 7.978 -5.407 1.00 0.00 N ATOM 786 CA GLY A 56 -9.424 6.567 -5.078 1.00 0.00 C ATOM 787 C GLY A 56 -10.498 5.848 -5.870 1.00 0.00 C ATOM 788 O GLY A 56 -11.060 6.404 -6.814 1.00 0.00 O ATOM 0 H GLY A 56 -9.596 8.210 -6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.460 6.095 -5.268 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.628 6.457 -4.013 1.00 0.00 H new ATOM 792 N LYS A 57 -10.783 4.608 -5.487 1.00 0.00 N ATOM 793 CA LYS A 57 -11.797 3.811 -6.169 1.00 0.00 C ATOM 794 C LYS A 57 -12.629 3.015 -5.168 1.00 0.00 C ATOM 795 O LYS A 57 -13.850 3.166 -5.102 1.00 0.00 O ATOM 796 CB LYS A 57 -11.138 2.861 -7.172 1.00 0.00 C ATOM 797 CG LYS A 57 -11.893 2.748 -8.487 1.00 0.00 C ATOM 798 CD LYS A 57 -11.212 1.776 -9.437 1.00 0.00 C ATOM 799 CE LYS A 57 -10.196 2.480 -10.321 1.00 0.00 C ATOM 800 NZ LYS A 57 -10.846 3.195 -11.455 1.00 0.00 N ATOM 0 H LYS A 57 -10.327 4.133 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.460 4.492 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.123 3.205 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.056 1.871 -6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.913 2.416 -8.295 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.960 3.730 -8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.716 0.993 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.962 1.289 -10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.626 3.191 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.487 1.750 -10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.119 3.662 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.370 2.514 -12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.504 3.910 -11.083 1.00 0.00 H new ATOM 814 N ASN A 58 -11.962 2.169 -4.390 1.00 0.00 N ATOM 815 CA ASN A 58 -12.640 1.349 -3.393 1.00 0.00 C ATOM 816 C ASN A 58 -12.470 1.937 -1.997 1.00 0.00 C ATOM 817 O ASN A 58 -11.542 2.707 -1.745 1.00 0.00 O ATOM 818 CB ASN A 58 -12.101 -0.082 -3.426 1.00 0.00 C ATOM 819 CG ASN A 58 -12.112 -0.672 -4.823 1.00 0.00 C ATOM 820 OD1 ASN A 58 -13.172 -0.929 -5.392 1.00 0.00 O ATOM 821 ND2 ASN A 58 -10.927 -0.889 -5.383 1.00 0.00 N ATOM 0 H ASN A 58 -10.952 2.033 -4.431 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.703 1.335 -3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.082 -0.093 -3.038 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.700 -0.708 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.871 -1.284 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.073 -0.661 -4.874 1.00 0.00 H new ATOM 828 N ASP A 59 -13.370 1.569 -1.091 1.00 0.00 N ATOM 829 CA ASP A 59 -13.319 2.060 0.281 1.00 0.00 C ATOM 830 C ASP A 59 -12.629 1.052 1.195 1.00 0.00 C ATOM 831 O ASP A 59 -13.047 0.842 2.333 1.00 0.00 O ATOM 832 CB ASP A 59 -14.732 2.347 0.794 1.00 0.00 C ATOM 833 CG ASP A 59 -15.518 3.240 -0.145 1.00 0.00 C ATOM 834 OD1 ASP A 59 -15.586 2.919 -1.350 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.066 4.260 0.323 1.00 0.00 O ATOM 0 H ASP A 59 -14.144 0.932 -1.282 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.741 2.984 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.265 1.406 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.671 2.820 1.774 1.00 0.00 H new ATOM 840 N GLY A 60 -11.569 0.430 0.687 1.00 0.00 N ATOM 841 CA GLY A 60 -10.837 -0.547 1.471 1.00 0.00 C ATOM 842 C GLY A 60 -11.694 -1.735 1.863 1.00 0.00 C ATOM 843 O GLY A 60 -11.457 -2.365 2.894 1.00 0.00 O ATOM 0 H GLY A 60 -11.205 0.585 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.977 -0.896 0.900 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.449 -0.070 2.371 1.00 0.00 H new ATOM 847 N SER A 61 -12.693 -2.040 1.040 1.00 0.00 N ATOM 848 CA SER A 61 -13.588 -3.158 1.308 1.00 0.00 C ATOM 849 C SER A 61 -14.005 -3.845 0.011 1.00 0.00 C ATOM 850 O SER A 61 -14.612 -3.225 -0.864 1.00 0.00 O ATOM 851 CB SER A 61 -14.827 -2.678 2.066 1.00 0.00 C ATOM 852 OG SER A 61 -14.538 -1.527 2.839 1.00 0.00 O ATOM 0 H SER A 61 -12.902 -1.528 0.183 1.00 0.00 H new ATOM 0 HA SER A 61 -13.052 -3.880 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.626 -2.454 1.359 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.191 -3.474 2.716 1.00 0.00 H new ATOM 0 HG SER A 61 -15.346 -1.239 3.312 1.00 0.00 H new ATOM 858 N VAL A 62 -13.676 -5.127 -0.108 1.00 0.00 N ATOM 859 CA VAL A 62 -14.017 -5.896 -1.298 1.00 0.00 C ATOM 860 C VAL A 62 -14.811 -7.146 -0.935 1.00 0.00 C ATOM 861 O VAL A 62 -14.278 -8.080 -0.335 1.00 0.00 O ATOM 862 CB VAL A 62 -12.756 -6.313 -2.078 1.00 0.00 C ATOM 863 CG1 VAL A 62 -13.133 -6.936 -3.412 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.835 -5.118 -2.281 1.00 0.00 C ATOM 0 H VAL A 62 -13.174 -5.655 0.606 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.628 -5.249 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 62 -12.221 -7.061 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.228 -7.224 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.749 -7.818 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.692 -6.213 -4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.949 -5.431 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.360 -4.346 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.536 -4.720 -1.311 1.00 0.00 H new ATOM 874 N GLY A 63 -16.088 -7.158 -1.303 1.00 0.00 N ATOM 875 CA GLY A 63 -16.935 -8.298 -1.007 1.00 0.00 C ATOM 876 C GLY A 63 -17.034 -8.577 0.480 1.00 0.00 C ATOM 877 O GLY A 63 -17.504 -7.736 1.246 1.00 0.00 O ATOM 0 H GLY A 63 -16.551 -6.398 -1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.933 -8.119 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.542 -9.180 -1.514 1.00 0.00 H new ATOM 881 N GLY A 64 -16.591 -9.761 0.888 1.00 0.00 N ATOM 882 CA GLY A 64 -16.640 -10.127 2.292 1.00 0.00 C ATOM 883 C GLY A 64 -15.297 -9.973 2.980 1.00 0.00 C ATOM 884 O GLY A 64 -15.018 -10.650 3.969 1.00 0.00 O ATOM 0 H GLY A 64 -16.199 -10.474 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.378 -9.507 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.975 -11.160 2.383 1.00 0.00 H new ATOM 888 N VAL A 65 -14.463 -9.080 2.455 1.00 0.00 N ATOM 889 CA VAL A 65 -13.143 -8.840 3.026 1.00 0.00 C ATOM 890 C VAL A 65 -12.916 -7.353 3.275 1.00 0.00 C ATOM 891 O VAL A 65 -13.187 -6.519 2.411 1.00 0.00 O ATOM 892 CB VAL A 65 -12.026 -9.370 2.104 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.669 -9.249 2.781 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.301 -10.811 1.701 1.00 0.00 C ATOM 0 H VAL A 65 -14.678 -8.512 1.636 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.106 -9.376 3.974 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.011 -8.761 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.895 -9.628 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.469 -8.202 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.670 -9.830 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.501 -11.166 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.348 -11.436 2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.251 -10.865 1.170 1.00 0.00 H new ATOM 904 N ARG A 66 -12.418 -7.027 4.463 1.00 0.00 N ATOM 905 CA ARG A 66 -12.154 -5.639 4.827 1.00 0.00 C ATOM 906 C ARG A 66 -10.663 -5.408 5.047 1.00 0.00 C ATOM 907 O ARG A 66 -9.990 -6.209 5.695 1.00 0.00 O ATOM 908 CB ARG A 66 -12.932 -5.265 6.091 1.00 0.00 C ATOM 909 CG ARG A 66 -13.394 -3.818 6.114 1.00 0.00 C ATOM 910 CD ARG A 66 -13.827 -3.394 7.507 1.00 0.00 C ATOM 911 NE ARG A 66 -14.950 -4.191 7.998 1.00 0.00 N ATOM 912 CZ ARG A 66 -15.582 -3.955 9.145 1.00 0.00 C ATOM 913 NH1 ARG A 66 -15.206 -2.947 9.922 1.00 0.00 N ATOM 914 NH2 ARG A 66 -16.592 -4.729 9.516 1.00 0.00 N ATOM 0 H ARG A 66 -12.189 -7.705 5.190 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.484 -5.005 4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.801 -5.917 6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.304 -5.451 6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.586 -3.172 5.770 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.224 -3.689 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.986 -3.491 8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.108 -2.341 7.494 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.268 -4.974 7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.429 -2.349 9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.694 -2.771 10.800 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.885 -5.505 8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.077 -4.548 10.395 1.00 0.00 H new ATOM 928 N TYR A 67 -10.153 -4.308 4.503 1.00 0.00 N ATOM 929 CA TYR A 67 -8.741 -3.971 4.640 1.00 0.00 C ATOM 930 C TYR A 67 -8.561 -2.712 5.482 1.00 0.00 C ATOM 931 O TYR A 67 -7.630 -2.616 6.282 1.00 0.00 O ATOM 932 CB TYR A 67 -8.107 -3.771 3.262 1.00 0.00 C ATOM 933 CG TYR A 67 -8.159 -5.002 2.386 1.00 0.00 C ATOM 934 CD1 TYR A 67 -9.361 -5.448 1.852 1.00 0.00 C ATOM 935 CD2 TYR A 67 -7.005 -5.718 2.093 1.00 0.00 C ATOM 936 CE1 TYR A 67 -9.413 -6.573 1.051 1.00 0.00 C ATOM 937 CE2 TYR A 67 -7.049 -6.844 1.292 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.254 -7.267 0.775 1.00 0.00 C ATOM 939 OH TYR A 67 -8.302 -8.388 -0.022 1.00 0.00 O ATOM 0 H TYR A 67 -10.697 -3.635 3.963 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.243 -4.799 5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.615 -2.952 2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.067 -3.470 3.390 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -10.271 -4.906 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.059 -5.390 2.497 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.356 -6.907 0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.143 -7.389 1.073 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.109 -8.361 -0.577 1.00 0.00 H new ATOM 949 N PHE A 68 -9.459 -1.750 5.298 1.00 0.00 N ATOM 950 CA PHE A 68 -9.401 -0.497 6.041 1.00 0.00 C ATOM 951 C PHE A 68 -10.585 0.399 5.691 1.00 0.00 C ATOM 952 O PHE A 68 -11.113 0.341 4.580 1.00 0.00 O ATOM 953 CB PHE A 68 -8.090 0.235 5.747 1.00 0.00 C ATOM 954 CG PHE A 68 -7.778 0.341 4.281 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.066 -0.658 3.638 1.00 0.00 C ATOM 956 CD2 PHE A 68 -8.196 1.441 3.548 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.776 -0.563 2.290 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.909 1.540 2.199 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.199 0.537 1.569 1.00 0.00 C ATOM 0 H PHE A 68 -10.236 -1.814 4.640 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.448 -0.733 7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.139 1.237 6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.273 -0.285 6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.734 -1.521 4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.751 2.229 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.219 -1.348 1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.240 2.402 1.638 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.975 0.612 0.515 1.00 0.00 H new ATOM 969 N ILE A 69 -10.998 1.226 6.646 1.00 0.00 N ATOM 970 CA ILE A 69 -12.120 2.133 6.439 1.00 0.00 C ATOM 971 C ILE A 69 -11.635 3.536 6.092 1.00 0.00 C ATOM 972 O ILE A 69 -11.263 4.310 6.973 1.00 0.00 O ATOM 973 CB ILE A 69 -13.021 2.208 7.686 1.00 0.00 C ATOM 974 CG1 ILE A 69 -13.351 0.802 8.192 1.00 0.00 C ATOM 975 CG2 ILE A 69 -14.295 2.979 7.373 1.00 0.00 C ATOM 976 CD1 ILE A 69 -12.472 0.351 9.338 1.00 0.00 C ATOM 0 H ILE A 69 -10.572 1.286 7.571 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.699 1.734 5.606 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.483 2.737 8.473 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.393 0.775 8.511 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.251 0.095 7.368 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.922 3.024 8.264 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.040 3.991 7.058 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.838 2.476 6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -12.762 -0.654 9.645 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.430 0.346 9.017 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.590 1.036 10.178 1.00 0.00 H new ATOM 988 N CYS A 70 -11.641 3.857 4.802 1.00 0.00 N ATOM 989 CA CYS A 70 -11.201 5.168 4.337 1.00 0.00 C ATOM 990 C CYS A 70 -12.367 5.955 3.744 1.00 0.00 C ATOM 991 O CYS A 70 -13.389 5.379 3.370 1.00 0.00 O ATOM 992 CB CYS A 70 -10.090 5.018 3.297 1.00 0.00 C ATOM 993 SG CYS A 70 -10.606 4.175 1.783 1.00 0.00 S ATOM 0 H CYS A 70 -11.946 3.227 4.060 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.814 5.718 5.194 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.713 6.007 3.039 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.262 4.467 3.743 1.00 0.00 H new ATOM 0 HG CYS A 70 -10.240 2.929 1.834 1.00 0.00 H new ATOM 999 N PRO A 71 -12.229 7.289 3.649 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.276 8.155 3.098 1.00 0.00 C ATOM 1001 C PRO A 71 -13.753 7.687 1.726 1.00 0.00 C ATOM 1002 O PRO A 71 -13.247 6.701 1.187 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.591 9.519 2.989 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.512 9.484 4.014 1.00 0.00 C ATOM 1005 CD PRO A 71 -11.042 8.057 4.072 1.00 0.00 C ATOM 0 HA PRO A 71 -14.169 8.161 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.184 9.679 1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.293 10.331 3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.695 10.153 3.744 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.885 9.812 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.195 7.886 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.721 7.780 5.076 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.737 8.389 1.139 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.280 8.041 -0.177 1.00 0.00 C ATOM 1015 C PRO A 72 -14.189 7.893 -1.234 1.00 0.00 C ATOM 1016 O PRO A 72 -13.624 8.884 -1.698 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.192 9.223 -0.512 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.578 9.790 0.810 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.395 9.579 1.712 1.00 0.00 C ATOM 0 HA PRO A 72 -15.795 7.080 -0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.674 9.962 -1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.068 8.900 -1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.820 10.849 0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.464 9.292 1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.731 10.444 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.702 9.411 2.744 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.901 6.652 -1.609 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.878 6.375 -2.611 1.00 0.00 C ATOM 1029 C LYS A 73 -11.521 6.910 -2.168 1.00 0.00 C ATOM 1030 O LYS A 73 -11.138 8.027 -2.517 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.269 6.995 -3.954 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.624 6.533 -4.467 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.596 7.695 -4.608 1.00 0.00 C ATOM 1034 CE LYS A 73 -16.904 7.252 -5.244 1.00 0.00 C ATOM 1035 NZ LYS A 73 -17.940 6.936 -4.222 1.00 0.00 N ATOM 0 H LYS A 73 -14.361 5.822 -1.235 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.802 5.294 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.278 8.080 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.507 6.749 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.500 6.042 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.039 5.792 -3.784 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.795 8.126 -3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.142 8.479 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.272 8.039 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.727 6.374 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.816 6.638 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.600 6.168 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.128 7.781 -3.646 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.796 6.105 -1.397 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.480 6.498 -0.906 1.00 0.00 C ATOM 1051 C GLN A 74 -8.599 5.275 -0.669 1.00 0.00 C ATOM 1052 O GLN A 74 -7.696 5.302 0.168 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.618 7.306 0.387 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.840 8.611 0.373 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.775 9.265 1.740 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -9.331 10.343 1.951 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.093 8.615 2.675 1.00 0.00 N ATOM 0 H GLN A 74 -11.098 5.177 -1.099 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.005 7.120 -1.665 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.672 7.523 0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.276 6.698 1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.828 8.423 0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.304 9.299 -0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.648 7.724 2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.014 9.007 3.613 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.865 4.205 -1.410 1.00 0.00 N ATOM 1067 CA GLY A 75 -8.086 2.989 -1.264 1.00 0.00 C ATOM 1068 C GLY A 75 -7.787 2.328 -2.595 1.00 0.00 C ATOM 1069 O GLY A 75 -8.674 2.184 -3.437 1.00 0.00 O ATOM 0 H GLY A 75 -9.606 4.158 -2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.149 3.220 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.627 2.289 -0.628 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.535 1.926 -2.786 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.121 1.277 -4.024 1.00 0.00 C ATOM 1075 C LEU A 76 -5.156 0.130 -3.742 1.00 0.00 C ATOM 1076 O LEU A 76 -4.205 0.280 -2.974 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.465 2.293 -4.961 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.584 1.970 -6.452 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -5.728 3.248 -7.264 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -4.378 1.170 -6.920 1.00 0.00 C ATOM 0 H LEU A 76 -5.789 2.038 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.009 0.869 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.910 3.271 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.408 2.371 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.478 1.365 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.811 2.999 -8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.623 3.783 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.853 3.879 -7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.478 0.949 -7.983 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.470 1.750 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.320 0.237 -6.359 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.407 -1.015 -4.368 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.559 -2.188 -4.185 1.00 0.00 C ATOM 1094 C PHE A 77 -3.642 -2.389 -5.387 1.00 0.00 C ATOM 1095 O PHE A 77 -4.070 -2.265 -6.534 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.419 -3.435 -3.968 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.415 -3.291 -2.854 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -6.011 -3.379 -1.531 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -7.755 -3.069 -3.129 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -6.926 -3.247 -0.504 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.674 -2.937 -2.106 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.259 -3.026 -0.791 1.00 0.00 C ATOM 0 H PHE A 77 -6.190 -1.156 -5.006 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.940 -2.025 -3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.950 -3.665 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.768 -4.283 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.970 -3.553 -1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.085 -2.998 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.599 -3.317 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.716 -2.764 -2.334 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.975 -2.923 0.011 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.380 -2.703 -5.116 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.403 -2.922 -6.175 1.00 0.00 C ATOM 1114 C ALA A 78 -0.276 -3.835 -5.701 1.00 0.00 C ATOM 1115 O ALA A 78 -0.124 -4.080 -4.505 1.00 0.00 O ATOM 1116 CB ALA A 78 -0.841 -1.593 -6.658 1.00 0.00 C ATOM 0 H ALA A 78 -2.010 -2.811 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.908 -3.413 -7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.113 -1.772 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.651 -0.974 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.356 -1.080 -5.828 1.00 0.00 H new ATOM 1122 N SER A 79 0.510 -4.335 -6.649 1.00 0.00 N ATOM 1123 CA SER A 79 1.623 -5.220 -6.329 1.00 0.00 C ATOM 1124 C SER A 79 2.820 -4.426 -5.815 1.00 0.00 C ATOM 1125 O SER A 79 3.053 -3.294 -6.238 1.00 0.00 O ATOM 1126 CB SER A 79 2.026 -6.033 -7.561 1.00 0.00 C ATOM 1127 OG SER A 79 1.388 -7.299 -7.569 1.00 0.00 O ATOM 0 H SER A 79 0.397 -4.142 -7.644 1.00 0.00 H new ATOM 0 HA SER A 79 1.298 -5.902 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.762 -5.484 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.108 -6.167 -7.574 1.00 0.00 H new ATOM 0 HG SER A 79 1.384 -7.669 -6.662 1.00 0.00 H new ATOM 1133 N VAL A 80 3.575 -5.028 -4.902 1.00 0.00 N ATOM 1134 CA VAL A 80 4.748 -4.378 -4.330 1.00 0.00 C ATOM 1135 C VAL A 80 5.751 -3.998 -5.416 1.00 0.00 C ATOM 1136 O VAL A 80 6.480 -3.015 -5.284 1.00 0.00 O ATOM 1137 CB VAL A 80 5.445 -5.284 -3.299 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.574 -5.459 -2.065 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.785 -6.631 -3.917 1.00 0.00 C ATOM 0 H VAL A 80 3.395 -5.965 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 80 4.397 -3.475 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 80 6.375 -4.806 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.084 -6.102 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.387 -4.486 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.626 -5.914 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.277 -7.258 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.870 -7.118 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.452 -6.484 -4.766 1.00 0.00 H new ATOM 1149 N SER A 81 5.781 -4.783 -6.486 1.00 0.00 N ATOM 1150 CA SER A 81 6.693 -4.531 -7.595 1.00 0.00 C ATOM 1151 C SER A 81 6.379 -3.199 -8.269 1.00 0.00 C ATOM 1152 O SER A 81 7.265 -2.551 -8.826 1.00 0.00 O ATOM 1153 CB SER A 81 6.611 -5.665 -8.618 1.00 0.00 C ATOM 1154 OG SER A 81 7.795 -5.740 -9.394 1.00 0.00 O ATOM 0 H SER A 81 5.184 -5.600 -6.609 1.00 0.00 H new ATOM 0 HA SER A 81 7.706 -4.484 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.449 -6.612 -8.103 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.753 -5.507 -9.272 1.00 0.00 H new ATOM 0 HG SER A 81 7.717 -6.474 -10.039 1.00 0.00 H new ATOM 1160 N LYS A 82 5.113 -2.797 -8.216 1.00 0.00 N ATOM 1161 CA LYS A 82 4.684 -1.543 -8.824 1.00 0.00 C ATOM 1162 C LYS A 82 4.601 -0.431 -7.782 1.00 0.00 C ATOM 1163 O LYS A 82 3.786 0.484 -7.901 1.00 0.00 O ATOM 1164 CB LYS A 82 3.327 -1.721 -9.506 1.00 0.00 C ATOM 1165 CG LYS A 82 3.287 -2.879 -10.490 1.00 0.00 C ATOM 1166 CD LYS A 82 2.066 -2.804 -11.391 1.00 0.00 C ATOM 1167 CE LYS A 82 2.373 -2.068 -12.685 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.005 -0.628 -12.605 1.00 0.00 N ATOM 0 H LYS A 82 4.367 -3.321 -7.759 1.00 0.00 H new ATOM 0 HA LYS A 82 5.425 -1.260 -9.572 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.564 -1.877 -8.743 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.070 -0.801 -10.030 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.191 -2.871 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.279 -3.822 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.718 -3.812 -11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.256 -2.297 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.435 -2.159 -12.911 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.831 -2.536 -13.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.237 -0.428 -13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.688 -0.404 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.833 -0.044 -12.842 1.00 0.00 H new ATOM 1182 N ILE A 83 5.451 -0.515 -6.764 1.00 0.00 N ATOM 1183 CA ILE A 83 5.473 0.485 -5.703 1.00 0.00 C ATOM 1184 C ILE A 83 6.904 0.809 -5.285 1.00 0.00 C ATOM 1185 O ILE A 83 7.802 -0.023 -5.412 1.00 0.00 O ATOM 1186 CB ILE A 83 4.685 0.013 -4.466 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.297 -0.482 -4.877 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.571 1.139 -3.448 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.573 -1.233 -3.780 1.00 0.00 C ATOM 0 H ILE A 83 6.133 -1.265 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 83 5.000 1.381 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 83 5.224 -0.814 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.692 0.371 -5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.395 -1.131 -5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.012 0.790 -2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.568 1.450 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.051 1.985 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.596 -1.554 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.157 -2.106 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.443 -0.580 -2.917 1.00 0.00 H new ATOM 1201 N SER A 84 7.108 2.024 -4.786 1.00 0.00 N ATOM 1202 CA SER A 84 8.429 2.458 -4.348 1.00 0.00 C ATOM 1203 C SER A 84 8.372 3.043 -2.941 1.00 0.00 C ATOM 1204 O SER A 84 7.318 3.490 -2.487 1.00 0.00 O ATOM 1205 CB SER A 84 8.996 3.496 -5.321 1.00 0.00 C ATOM 1206 OG SER A 84 9.793 2.878 -6.317 1.00 0.00 O ATOM 0 H SER A 84 6.375 2.725 -4.675 1.00 0.00 H new ATOM 0 HA SER A 84 9.083 1.586 -4.333 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.179 4.043 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.593 4.225 -4.773 1.00 0.00 H new ATOM 0 HG SER A 84 10.142 3.561 -6.927 1.00 0.00 H new ATOM 1212 N LYS A 85 9.510 3.034 -2.254 1.00 0.00 N ATOM 1213 CA LYS A 85 9.587 3.563 -0.898 1.00 0.00 C ATOM 1214 C LYS A 85 9.706 5.084 -0.913 1.00 0.00 C ATOM 1215 O LYS A 85 10.722 5.633 -1.337 1.00 0.00 O ATOM 1216 CB LYS A 85 10.780 2.954 -0.158 1.00 0.00 C ATOM 1217 CG LYS A 85 10.487 1.592 0.451 1.00 0.00 C ATOM 1218 CD LYS A 85 11.356 0.505 -0.160 1.00 0.00 C ATOM 1219 CE LYS A 85 12.557 0.194 0.716 1.00 0.00 C ATOM 1220 NZ LYS A 85 12.169 -0.543 1.950 1.00 0.00 N ATOM 0 H LYS A 85 10.391 2.666 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 85 8.668 3.294 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.617 2.861 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.094 3.636 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.655 1.631 1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.436 1.345 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.764 -0.399 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.696 0.821 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.275 -0.399 0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.057 1.123 0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.411 0.027 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.145 -0.724 1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.680 -1.448 1.989 1.00 0.00 H new ATOM 1234 N ALA A 86 8.660 5.758 -0.446 1.00 0.00 N ATOM 1235 CA ALA A 86 8.646 7.215 -0.406 1.00 0.00 C ATOM 1236 C ALA A 86 9.339 7.736 0.849 1.00 0.00 C ATOM 1237 O ALA A 86 9.857 6.960 1.652 1.00 0.00 O ATOM 1238 CB ALA A 86 7.216 7.731 -0.475 1.00 0.00 C ATOM 0 H ALA A 86 7.811 5.318 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 86 9.196 7.583 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.220 8.821 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.753 7.396 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.649 7.346 0.373 1.00 0.00 H new