USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot -19:sc= 0.518 USER MOD Set 1.2: A 56 GLN : amide:sc= -0.0335 X(o=0.48,f=0.47) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 142:sc= 0.0769 (180deg=-0.547) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 31:sc= 0.192 USER MOD Single : A 15 MET CE :methyl -170:sc= -0.0181 (180deg=-0.167) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot -72:sc= 0.311 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.978 X(o=-0.98,f=-1.4) USER MOD Single : A 41 ASN : amide:sc= -0.849 K(o=-0.85,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -5.17! C(o=-5.2!,f=-17!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -79:sc= 0.00341 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 0.767 12.917 -1.691 1.00 0.00 N ATOM 94 CA THR A 10 -0.189 11.928 -1.209 1.00 0.00 C ATOM 95 C THR A 10 0.510 10.627 -0.830 1.00 0.00 C ATOM 96 O THR A 10 1.485 10.225 -1.466 1.00 0.00 O ATOM 97 CB THR A 10 -1.269 11.628 -2.266 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.826 12.852 -2.757 1.00 0.00 O ATOM 99 CG2 THR A 10 -2.373 10.761 -1.680 1.00 0.00 C ATOM 0 HA THR A 10 -0.665 12.353 -0.325 1.00 0.00 H new ATOM 0 HB THR A 10 -0.802 11.086 -3.088 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.145 13.556 -2.727 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.124 10.562 -2.445 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.950 9.818 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.837 11.280 -0.842 1.00 0.00 H new ATOM 107 N LYS A 11 0.006 9.971 0.210 1.00 0.00 N ATOM 108 CA LYS A 11 0.580 8.713 0.673 1.00 0.00 C ATOM 109 C LYS A 11 -0.514 7.696 0.979 1.00 0.00 C ATOM 110 O LYS A 11 -1.699 8.028 0.988 1.00 0.00 O ATOM 111 CB LYS A 11 1.436 8.948 1.920 1.00 0.00 C ATOM 112 CG LYS A 11 2.740 9.674 1.635 1.00 0.00 C ATOM 113 CD LYS A 11 3.733 9.504 2.772 1.00 0.00 C ATOM 114 CE LYS A 11 5.166 9.675 2.290 1.00 0.00 C ATOM 115 NZ LYS A 11 5.704 8.422 1.692 1.00 0.00 N ATOM 0 H LYS A 11 -0.799 10.290 0.748 1.00 0.00 H new ATOM 0 HA LYS A 11 1.209 8.315 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.859 9.525 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.659 7.987 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.175 9.293 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.541 10.734 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.521 10.234 3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.613 8.516 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.208 10.476 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.796 9.978 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.299 8.656 0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.274 7.917 2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.915 7.817 1.386 1.00 0.00 H new ATOM 129 N ALA A 12 -0.109 6.455 1.231 1.00 0.00 N ATOM 130 CA ALA A 12 -1.055 5.391 1.541 1.00 0.00 C ATOM 131 C ALA A 12 -0.396 4.297 2.374 1.00 0.00 C ATOM 132 O ALA A 12 0.793 4.018 2.221 1.00 0.00 O ATOM 133 CB ALA A 12 -1.630 4.806 0.259 1.00 0.00 C ATOM 0 H ALA A 12 0.868 6.162 1.226 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.867 5.820 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.335 4.012 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.145 5.588 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.823 4.398 -0.349 1.00 0.00 H new ATOM 139 N ARG A 13 -1.176 3.681 3.257 1.00 0.00 N ATOM 140 CA ARG A 13 -0.667 2.619 4.116 1.00 0.00 C ATOM 141 C ARG A 13 -1.028 1.246 3.555 1.00 0.00 C ATOM 142 O ARG A 13 -2.112 1.054 3.005 1.00 0.00 O ATOM 143 CB ARG A 13 -1.228 2.767 5.532 1.00 0.00 C ATOM 144 CG ARG A 13 -0.468 1.962 6.574 1.00 0.00 C ATOM 145 CD ARG A 13 -0.744 2.471 7.980 1.00 0.00 C ATOM 146 NE ARG A 13 -0.500 1.446 8.991 1.00 0.00 N ATOM 147 CZ ARG A 13 -1.346 0.455 9.252 1.00 0.00 C ATOM 148 NH1 ARG A 13 -2.484 0.356 8.579 1.00 0.00 N ATOM 149 NH2 ARG A 13 -1.053 -0.439 10.187 1.00 0.00 N ATOM 0 H ARG A 13 -2.163 3.899 3.396 1.00 0.00 H new ATOM 0 HA ARG A 13 0.419 2.704 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.209 3.820 5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.272 2.455 5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.753 0.912 6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.601 2.017 6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.114 3.337 8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.779 2.807 8.047 1.00 0.00 H new ATOM 0 HE ARG A 13 0.367 1.493 9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.712 1.041 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.132 -0.406 8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.178 -0.366 10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.703 -1.199 10.387 1.00 0.00 H new ATOM 163 N VAL A 14 -0.112 0.294 3.699 1.00 0.00 N ATOM 164 CA VAL A 14 -0.333 -1.061 3.208 1.00 0.00 C ATOM 165 C VAL A 14 -1.057 -1.910 4.246 1.00 0.00 C ATOM 166 O VAL A 14 -0.513 -2.204 5.310 1.00 0.00 O ATOM 167 CB VAL A 14 0.995 -1.746 2.834 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.745 -3.167 2.352 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.733 -0.937 1.778 1.00 0.00 C ATOM 0 H VAL A 14 0.791 0.436 4.152 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.953 -0.978 2.316 1.00 0.00 H new ATOM 0 HB VAL A 14 1.622 -1.795 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.694 -3.635 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.262 -3.740 3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.099 -3.145 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.669 -1.436 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.114 -0.854 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.946 0.059 2.166 1.00 0.00 H new ATOM 179 N MET A 15 -2.286 -2.302 3.929 1.00 0.00 N ATOM 180 CA MET A 15 -3.084 -3.120 4.835 1.00 0.00 C ATOM 181 C MET A 15 -2.687 -4.590 4.733 1.00 0.00 C ATOM 182 O MET A 15 -2.636 -5.300 5.737 1.00 0.00 O ATOM 183 CB MET A 15 -4.574 -2.960 4.523 1.00 0.00 C ATOM 184 CG MET A 15 -5.032 -1.511 4.476 1.00 0.00 C ATOM 185 SD MET A 15 -6.769 -1.317 4.916 1.00 0.00 S ATOM 186 CE MET A 15 -7.559 -1.692 3.353 1.00 0.00 C ATOM 0 H MET A 15 -2.751 -2.067 3.052 1.00 0.00 H new ATOM 0 HA MET A 15 -2.894 -2.780 5.853 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.789 -3.432 3.564 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.154 -3.492 5.277 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.421 -0.919 5.157 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.869 -1.115 3.474 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.619 -1.444 3.412 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.093 -1.107 2.560 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.447 -2.754 3.134 1.00 0.00 H new ATOM 196 N TYR A 16 -2.408 -5.039 3.515 1.00 0.00 N ATOM 197 CA TYR A 16 -2.018 -6.424 3.282 1.00 0.00 C ATOM 198 C TYR A 16 -0.856 -6.505 2.297 1.00 0.00 C ATOM 199 O TYR A 16 -0.992 -6.146 1.127 1.00 0.00 O ATOM 200 CB TYR A 16 -3.207 -7.228 2.752 1.00 0.00 C ATOM 201 CG TYR A 16 -4.524 -6.856 3.394 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.797 -7.197 4.713 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.495 -6.164 2.682 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.999 -6.859 5.303 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.700 -5.821 3.264 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.948 -6.172 4.575 1.00 0.00 C ATOM 207 OH TYR A 16 -8.146 -5.833 5.160 1.00 0.00 O ATOM 0 H TYR A 16 -2.445 -4.464 2.673 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.695 -6.848 4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.283 -7.081 1.675 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.019 -8.289 2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.057 -7.735 5.286 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.305 -5.889 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.195 -7.131 6.330 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.443 -5.281 2.696 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.702 -5.352 4.512 1.00 0.00 H new ATOM 217 N ASP A 17 0.288 -6.980 2.780 1.00 0.00 N ATOM 218 CA ASP A 17 1.475 -7.110 1.943 1.00 0.00 C ATOM 219 C ASP A 17 1.110 -7.642 0.561 1.00 0.00 C ATOM 220 O ASP A 17 0.631 -8.768 0.424 1.00 0.00 O ATOM 221 CB ASP A 17 2.494 -8.037 2.608 1.00 0.00 C ATOM 222 CG ASP A 17 1.994 -9.465 2.715 1.00 0.00 C ATOM 223 OD1 ASP A 17 0.828 -9.657 3.120 1.00 0.00 O ATOM 224 OD2 ASP A 17 2.769 -10.390 2.393 1.00 0.00 O ATOM 0 H ASP A 17 0.418 -7.281 3.746 1.00 0.00 H new ATOM 0 HA ASP A 17 1.917 -6.121 1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.422 -8.022 2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.727 -7.661 3.604 1.00 0.00 H new ATOM 229 N PHE A 18 1.339 -6.825 -0.462 1.00 0.00 N ATOM 230 CA PHE A 18 1.033 -7.213 -1.834 1.00 0.00 C ATOM 231 C PHE A 18 2.305 -7.577 -2.593 1.00 0.00 C ATOM 232 O PHE A 18 3.109 -6.709 -2.931 1.00 0.00 O ATOM 233 CB PHE A 18 0.302 -6.078 -2.555 1.00 0.00 C ATOM 234 CG PHE A 18 0.006 -6.378 -3.997 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.705 -7.512 -4.351 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.441 -5.524 -4.999 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.979 -7.790 -5.678 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.170 -5.797 -6.326 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.540 -6.932 -6.666 1.00 0.00 C ATOM 0 H PHE A 18 1.735 -5.890 -0.367 1.00 0.00 H new ATOM 0 HA PHE A 18 0.387 -8.090 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.634 -5.871 -2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.906 -5.172 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.050 -8.187 -3.582 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.998 -4.636 -4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.536 -8.677 -5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.513 -5.123 -7.097 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.751 -7.148 -7.703 1.00 0.00 H new ATOM 249 N ALA A 19 2.480 -8.868 -2.857 1.00 0.00 N ATOM 250 CA ALA A 19 3.653 -9.348 -3.577 1.00 0.00 C ATOM 251 C ALA A 19 3.463 -9.217 -5.084 1.00 0.00 C ATOM 252 O ALA A 19 2.907 -10.106 -5.728 1.00 0.00 O ATOM 253 CB ALA A 19 3.947 -10.793 -3.203 1.00 0.00 C ATOM 0 H ALA A 19 1.824 -9.600 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 19 4.504 -8.730 -3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.825 -11.138 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.135 -10.860 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.091 -11.417 -3.461 1.00 0.00 H new ATOM 259 N ALA A 20 3.929 -8.104 -5.640 1.00 0.00 N ATOM 260 CA ALA A 20 3.811 -7.858 -7.072 1.00 0.00 C ATOM 261 C ALA A 20 4.958 -8.510 -7.837 1.00 0.00 C ATOM 262 O ALA A 20 6.123 -8.362 -7.470 1.00 0.00 O ATOM 263 CB ALA A 20 3.771 -6.363 -7.349 1.00 0.00 C ATOM 0 H ALA A 20 4.392 -7.358 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 20 2.879 -8.305 -7.417 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.683 -6.194 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.914 -5.922 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.688 -5.901 -6.983 1.00 0.00 H new ATOM 319 N ASN A 25 3.740 -5.005 -14.437 1.00 0.00 N ATOM 320 CA ASN A 25 3.579 -3.570 -14.233 1.00 0.00 C ATOM 321 C ASN A 25 3.002 -3.279 -12.850 1.00 0.00 C ATOM 322 O ASN A 25 2.219 -2.345 -12.678 1.00 0.00 O ATOM 323 CB ASN A 25 2.669 -2.979 -15.312 1.00 0.00 C ATOM 324 CG ASN A 25 3.210 -3.205 -16.711 1.00 0.00 C ATOM 325 OD1 ASN A 25 4.013 -2.418 -17.213 1.00 0.00 O ATOM 326 ND2 ASN A 25 2.770 -4.284 -17.347 1.00 0.00 N ATOM 0 HA ASN A 25 4.563 -3.106 -14.303 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.678 -3.425 -15.232 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.552 -1.909 -15.139 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.098 -4.489 -18.291 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.104 -4.908 -16.892 1.00 0.00 H new ATOM 333 N GLU A 26 3.396 -4.084 -11.869 1.00 0.00 N ATOM 334 CA GLU A 26 2.918 -3.912 -10.502 1.00 0.00 C ATOM 335 C GLU A 26 4.078 -3.627 -9.552 1.00 0.00 C ATOM 336 O GLU A 26 5.211 -4.043 -9.795 1.00 0.00 O ATOM 337 CB GLU A 26 2.162 -5.161 -10.042 1.00 0.00 C ATOM 338 CG GLU A 26 0.774 -5.289 -10.646 1.00 0.00 C ATOM 339 CD GLU A 26 -0.040 -6.396 -10.006 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.569 -7.339 -9.458 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.286 -6.321 -10.053 1.00 0.00 O ATOM 0 H GLU A 26 4.044 -4.861 -11.995 1.00 0.00 H new ATOM 0 HA GLU A 26 2.240 -3.059 -10.486 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.745 -6.045 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.076 -5.144 -8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.245 -4.343 -10.535 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.863 -5.480 -11.715 1.00 0.00 H new ATOM 348 N LEU A 27 3.786 -2.914 -8.470 1.00 0.00 N ATOM 349 CA LEU A 27 4.803 -2.572 -7.482 1.00 0.00 C ATOM 350 C LEU A 27 4.658 -3.431 -6.230 1.00 0.00 C ATOM 351 O LEU A 27 3.555 -3.615 -5.714 1.00 0.00 O ATOM 352 CB LEU A 27 4.705 -1.091 -7.112 1.00 0.00 C ATOM 353 CG LEU A 27 5.817 -0.549 -6.213 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.141 -0.520 -6.960 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.461 0.840 -5.703 1.00 0.00 C ATOM 0 H LEU A 27 2.853 -2.561 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 27 5.781 -2.767 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.692 -0.507 -8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.749 -0.924 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 27 5.921 -1.214 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.920 -0.131 -6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.403 -1.530 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.050 0.122 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.264 1.210 -5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.329 1.515 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.535 0.791 -5.130 1.00 0.00 H new ATOM 367 N THR A 28 5.779 -3.954 -5.744 1.00 0.00 N ATOM 368 CA THR A 28 5.777 -4.793 -4.552 1.00 0.00 C ATOM 369 C THR A 28 5.811 -3.947 -3.284 1.00 0.00 C ATOM 370 O THR A 28 6.624 -3.031 -3.158 1.00 0.00 O ATOM 371 CB THR A 28 6.977 -5.759 -4.543 1.00 0.00 C ATOM 372 OG1 THR A 28 7.042 -6.471 -5.783 1.00 0.00 O ATOM 373 CG2 THR A 28 6.868 -6.746 -3.391 1.00 0.00 C ATOM 0 H THR A 28 6.700 -3.811 -6.158 1.00 0.00 H new ATOM 0 HA THR A 28 4.854 -5.372 -4.575 1.00 0.00 H new ATOM 0 HB THR A 28 7.887 -5.172 -4.413 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.320 -7.132 -5.819 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.726 -7.418 -3.405 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.848 -6.202 -2.447 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.951 -7.326 -3.495 1.00 0.00 H new ATOM 381 N VAL A 29 4.923 -4.260 -2.346 1.00 0.00 N ATOM 382 CA VAL A 29 4.853 -3.530 -1.086 1.00 0.00 C ATOM 383 C VAL A 29 4.598 -4.474 0.084 1.00 0.00 C ATOM 384 O VAL A 29 4.136 -5.600 -0.102 1.00 0.00 O ATOM 385 CB VAL A 29 3.745 -2.460 -1.119 1.00 0.00 C ATOM 386 CG1 VAL A 29 4.035 -1.423 -2.193 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.387 -3.107 -1.344 1.00 0.00 C ATOM 0 H VAL A 29 4.242 -5.014 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 29 5.817 -3.041 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 29 3.725 -1.953 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.241 -0.676 -2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.988 -0.938 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.084 -1.911 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.616 -2.337 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.391 -3.641 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.179 -3.807 -0.535 1.00 0.00 H new ATOM 397 N THR A 30 4.902 -4.007 1.291 1.00 0.00 N ATOM 398 CA THR A 30 4.707 -4.810 2.492 1.00 0.00 C ATOM 399 C THR A 30 3.789 -4.103 3.482 1.00 0.00 C ATOM 400 O THR A 30 3.771 -2.875 3.558 1.00 0.00 O ATOM 401 CB THR A 30 6.047 -5.121 3.183 1.00 0.00 C ATOM 402 OG1 THR A 30 5.820 -5.891 4.369 1.00 0.00 O ATOM 403 CG2 THR A 30 6.783 -3.838 3.540 1.00 0.00 C ATOM 0 H THR A 30 5.284 -3.077 1.463 1.00 0.00 H new ATOM 0 HA THR A 30 4.245 -5.745 2.176 1.00 0.00 H new ATOM 0 HB THR A 30 6.663 -5.694 2.490 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.677 -6.086 4.802 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.727 -4.083 4.027 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.981 -3.267 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.170 -3.243 4.216 1.00 0.00 H new ATOM 411 N GLU A 31 3.029 -4.886 4.241 1.00 0.00 N ATOM 412 CA GLU A 31 2.108 -4.333 5.227 1.00 0.00 C ATOM 413 C GLU A 31 2.853 -3.469 6.242 1.00 0.00 C ATOM 414 O GLU A 31 3.780 -3.931 6.905 1.00 0.00 O ATOM 415 CB GLU A 31 1.362 -5.457 5.949 1.00 0.00 C ATOM 416 CG GLU A 31 0.468 -4.969 7.076 1.00 0.00 C ATOM 417 CD GLU A 31 -0.207 -6.106 7.819 1.00 0.00 C ATOM 418 OE1 GLU A 31 0.486 -7.090 8.151 1.00 0.00 O ATOM 419 OE2 GLU A 31 -1.427 -6.012 8.068 1.00 0.00 O ATOM 0 H GLU A 31 3.033 -5.905 4.192 1.00 0.00 H new ATOM 0 HA GLU A 31 1.387 -3.707 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.755 -6.002 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.088 -6.163 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.061 -4.383 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.293 -4.303 6.669 1.00 0.00 H new ATOM 426 N GLY A 32 2.439 -2.211 6.356 1.00 0.00 N ATOM 427 CA GLY A 32 3.077 -1.302 7.290 1.00 0.00 C ATOM 428 C GLY A 32 4.034 -0.346 6.607 1.00 0.00 C ATOM 429 O GLY A 32 4.345 0.718 7.141 1.00 0.00 O ATOM 0 H GLY A 32 1.673 -1.805 5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.312 -0.731 7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.618 -1.878 8.041 1.00 0.00 H new ATOM 433 N GLU A 33 4.504 -0.727 5.423 1.00 0.00 N ATOM 434 CA GLU A 33 5.434 0.104 4.667 1.00 0.00 C ATOM 435 C GLU A 33 4.701 1.248 3.973 1.00 0.00 C ATOM 436 O GLU A 33 3.697 1.034 3.293 1.00 0.00 O ATOM 437 CB GLU A 33 6.182 -0.740 3.633 1.00 0.00 C ATOM 438 CG GLU A 33 6.962 0.086 2.624 1.00 0.00 C ATOM 439 CD GLU A 33 8.137 0.813 3.248 1.00 0.00 C ATOM 440 OE1 GLU A 33 7.903 1.766 4.021 1.00 0.00 O ATOM 441 OE2 GLU A 33 9.291 0.428 2.964 1.00 0.00 O ATOM 0 H GLU A 33 4.256 -1.605 4.967 1.00 0.00 H new ATOM 0 HA GLU A 33 6.153 0.529 5.367 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.869 -1.409 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.466 -1.367 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.324 -0.566 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.294 0.813 2.161 1.00 0.00 H new ATOM 448 N ILE A 34 5.210 2.463 4.150 1.00 0.00 N ATOM 449 CA ILE A 34 4.604 3.640 3.540 1.00 0.00 C ATOM 450 C ILE A 34 5.320 4.020 2.248 1.00 0.00 C ATOM 451 O ILE A 34 6.550 4.016 2.184 1.00 0.00 O ATOM 452 CB ILE A 34 4.626 4.845 4.499 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.962 4.478 5.828 1.00 0.00 C ATOM 454 CG2 ILE A 34 3.930 6.040 3.865 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.543 3.978 5.677 1.00 0.00 C ATOM 0 H ILE A 34 6.040 2.658 4.710 1.00 0.00 H new ATOM 0 HA ILE A 34 3.569 3.382 3.317 1.00 0.00 H new ATOM 0 HB ILE A 34 5.663 5.116 4.695 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.558 3.711 6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.963 5.352 6.479 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.954 6.883 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.442 6.312 2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.894 5.782 3.643 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.136 3.737 6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.932 4.751 5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.537 3.085 5.052 1.00 0.00 H new ATOM 467 N ILE A 35 4.543 4.349 1.222 1.00 0.00 N ATOM 468 CA ILE A 35 5.103 4.735 -0.067 1.00 0.00 C ATOM 469 C ILE A 35 4.514 6.056 -0.549 1.00 0.00 C ATOM 470 O ILE A 35 3.599 6.603 0.067 1.00 0.00 O ATOM 471 CB ILE A 35 4.853 3.654 -1.135 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.352 3.434 -1.329 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.538 2.353 -0.743 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.992 2.883 -2.690 1.00 0.00 C ATOM 0 H ILE A 35 3.524 4.356 1.258 1.00 0.00 H new ATOM 0 HA ILE A 35 6.177 4.850 0.077 1.00 0.00 H new ATOM 0 HB ILE A 35 5.276 3.994 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.992 2.749 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.832 4.381 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.352 1.599 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.611 2.520 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.142 2.007 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.912 2.753 -2.756 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.321 3.578 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.483 1.921 -2.834 1.00 0.00 H new ATOM 486 N THR A 36 5.044 6.564 -1.658 1.00 0.00 N ATOM 487 CA THR A 36 4.571 7.821 -2.224 1.00 0.00 C ATOM 488 C THR A 36 3.561 7.576 -3.339 1.00 0.00 C ATOM 489 O THR A 36 3.844 6.862 -4.301 1.00 0.00 O ATOM 490 CB THR A 36 5.737 8.661 -2.779 1.00 0.00 C ATOM 491 OG1 THR A 36 6.767 8.781 -1.792 1.00 0.00 O ATOM 492 CG2 THR A 36 5.258 10.045 -3.190 1.00 0.00 C ATOM 0 H THR A 36 5.801 6.124 -2.181 1.00 0.00 H new ATOM 0 HA THR A 36 4.089 8.371 -1.415 1.00 0.00 H new ATOM 0 HB THR A 36 6.135 8.155 -3.659 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.505 9.315 -2.153 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.098 10.620 -3.579 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.494 9.951 -3.962 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.838 10.557 -2.324 1.00 0.00 H new ATOM 500 N VAL A 37 2.381 8.173 -3.205 1.00 0.00 N ATOM 501 CA VAL A 37 1.329 8.021 -4.202 1.00 0.00 C ATOM 502 C VAL A 37 1.456 9.071 -5.300 1.00 0.00 C ATOM 503 O VAL A 37 1.763 10.233 -5.031 1.00 0.00 O ATOM 504 CB VAL A 37 -0.069 8.128 -3.564 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.152 7.923 -4.613 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.216 7.123 -2.431 1.00 0.00 C ATOM 0 H VAL A 37 2.130 8.767 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 37 1.447 7.029 -4.637 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.184 9.129 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.133 8.002 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.058 8.685 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.043 6.935 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.210 7.213 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.081 6.114 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.537 7.322 -1.668 1.00 0.00 H new ATOM 516 N THR A 38 1.217 8.655 -6.540 1.00 0.00 N ATOM 517 CA THR A 38 1.306 9.559 -7.680 1.00 0.00 C ATOM 518 C THR A 38 0.009 9.561 -8.481 1.00 0.00 C ATOM 519 O THR A 38 -0.419 10.600 -8.982 1.00 0.00 O ATOM 520 CB THR A 38 2.471 9.175 -8.612 1.00 0.00 C ATOM 521 OG1 THR A 38 2.320 7.822 -9.054 1.00 0.00 O ATOM 522 CG2 THR A 38 3.807 9.336 -7.902 1.00 0.00 C ATOM 0 H THR A 38 0.960 7.698 -6.780 1.00 0.00 H new ATOM 0 HA THR A 38 1.485 10.557 -7.280 1.00 0.00 H new ATOM 0 HB THR A 38 2.452 9.842 -9.474 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.709 7.348 -8.453 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.615 9.059 -8.579 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.932 10.374 -7.593 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.833 8.691 -7.024 1.00 0.00 H new ATOM 530 N ASN A 39 -0.611 8.392 -8.598 1.00 0.00 N ATOM 531 CA ASN A 39 -1.861 8.260 -9.339 1.00 0.00 C ATOM 532 C ASN A 39 -2.921 7.558 -8.497 1.00 0.00 C ATOM 533 O ASN A 39 -3.123 6.347 -8.591 1.00 0.00 O ATOM 534 CB ASN A 39 -1.628 7.485 -10.637 1.00 0.00 C ATOM 535 CG ASN A 39 -2.807 7.579 -11.586 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.718 8.383 -11.385 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.796 6.755 -12.628 1.00 0.00 N ATOM 0 H ASN A 39 -0.269 7.522 -8.190 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.219 9.261 -9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.736 7.869 -11.131 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.436 6.438 -10.402 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.563 6.773 -13.300 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.021 6.105 -12.756 1.00 0.00 H new ATOM 544 N PRO A 40 -3.617 8.335 -7.654 1.00 0.00 N ATOM 545 CA PRO A 40 -4.670 7.810 -6.780 1.00 0.00 C ATOM 546 C PRO A 40 -5.908 7.377 -7.558 1.00 0.00 C ATOM 547 O PRO A 40 -6.766 6.669 -7.033 1.00 0.00 O ATOM 548 CB PRO A 40 -4.999 8.995 -5.869 1.00 0.00 C ATOM 549 CG PRO A 40 -4.614 10.198 -6.659 1.00 0.00 C ATOM 550 CD PRO A 40 -3.431 9.787 -7.490 1.00 0.00 C ATOM 0 HA PRO A 40 -4.346 6.919 -6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.058 9.013 -5.610 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.443 8.941 -4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.438 10.530 -7.291 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.360 11.031 -6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.417 10.301 -8.451 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.490 10.018 -6.991 1.00 0.00 H new ATOM 558 N ASN A 41 -5.993 7.807 -8.813 1.00 0.00 N ATOM 559 CA ASN A 41 -7.126 7.464 -9.664 1.00 0.00 C ATOM 560 C ASN A 41 -6.653 6.967 -11.026 1.00 0.00 C ATOM 561 O ASN A 41 -6.630 7.720 -12.000 1.00 0.00 O ATOM 562 CB ASN A 41 -8.043 8.675 -9.841 1.00 0.00 C ATOM 563 CG ASN A 41 -8.738 9.068 -8.551 1.00 0.00 C ATOM 564 OD1 ASN A 41 -8.632 8.373 -7.540 1.00 0.00 O ATOM 565 ND2 ASN A 41 -9.455 10.185 -8.582 1.00 0.00 N ATOM 0 H ASN A 41 -5.290 8.394 -9.263 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.683 6.663 -9.178 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.459 9.519 -10.207 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.792 8.452 -10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.946 10.499 -7.745 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.514 10.729 -9.443 1.00 0.00 H new ATOM 572 N VAL A 42 -6.275 5.694 -11.088 1.00 0.00 N ATOM 573 CA VAL A 42 -5.804 5.095 -12.331 1.00 0.00 C ATOM 574 C VAL A 42 -6.935 4.973 -13.346 1.00 0.00 C ATOM 575 O VAL A 42 -6.919 5.623 -14.390 1.00 0.00 O ATOM 576 CB VAL A 42 -5.195 3.702 -12.087 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.617 3.138 -13.377 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.132 3.768 -11.001 1.00 0.00 C ATOM 0 H VAL A 42 -6.286 5.057 -10.291 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.033 5.756 -12.728 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.986 3.033 -11.749 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.191 2.153 -13.185 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.407 3.052 -14.123 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.838 3.804 -13.748 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.712 2.775 -10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.340 4.451 -11.308 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.581 4.125 -10.074 1.00 0.00 H new ATOM 588 N GLY A 43 -7.917 4.134 -13.031 1.00 0.00 N ATOM 589 CA GLY A 43 -9.044 3.942 -13.925 1.00 0.00 C ATOM 590 C GLY A 43 -9.637 2.551 -13.820 1.00 0.00 C ATOM 591 O GLY A 43 -9.837 1.876 -14.829 1.00 0.00 O ATOM 0 H GLY A 43 -7.952 3.584 -12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.814 4.680 -13.698 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.724 4.121 -14.952 1.00 0.00 H new ATOM 595 N GLY A 44 -9.917 2.119 -12.593 1.00 0.00 N ATOM 596 CA GLY A 44 -10.486 0.801 -12.383 1.00 0.00 C ATOM 597 C GLY A 44 -10.289 0.305 -10.964 1.00 0.00 C ATOM 598 O GLY A 44 -10.133 -0.894 -10.734 1.00 0.00 O ATOM 0 H GLY A 44 -9.760 2.659 -11.742 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.552 0.828 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.029 0.096 -13.078 1.00 0.00 H new ATOM 602 N GLY A 45 -10.294 1.230 -10.009 1.00 0.00 N ATOM 603 CA GLY A 45 -10.112 0.860 -8.617 1.00 0.00 C ATOM 604 C GLY A 45 -8.671 0.520 -8.291 1.00 0.00 C ATOM 605 O GLY A 45 -8.402 -0.435 -7.563 1.00 0.00 O ATOM 0 H GLY A 45 -10.421 2.229 -10.174 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.441 1.681 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.745 0.003 -8.386 1.00 0.00 H new ATOM 609 N TRP A 46 -7.744 1.302 -8.833 1.00 0.00 N ATOM 610 CA TRP A 46 -6.322 1.077 -8.597 1.00 0.00 C ATOM 611 C TRP A 46 -5.586 2.399 -8.411 1.00 0.00 C ATOM 612 O TRP A 46 -6.160 3.473 -8.596 1.00 0.00 O ATOM 613 CB TRP A 46 -5.709 0.296 -9.760 1.00 0.00 C ATOM 614 CG TRP A 46 -5.986 -1.176 -9.699 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.207 -1.783 -9.766 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.021 -2.224 -9.557 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.059 -3.146 -9.674 1.00 0.00 N ATOM 618 CE2 TRP A 46 -5.728 -3.442 -9.546 1.00 0.00 C ATOM 619 CE3 TRP A 46 -3.629 -2.253 -9.441 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.089 -4.673 -9.422 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -2.996 -3.475 -9.317 1.00 0.00 C ATOM 622 CH2 TRP A 46 -3.725 -4.671 -9.310 1.00 0.00 C ATOM 0 H TRP A 46 -7.951 2.097 -9.438 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.218 0.493 -7.682 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.096 0.693 -10.699 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.631 0.456 -9.767 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.150 -1.268 -9.875 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -7.818 -3.827 -9.697 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.058 -1.336 -9.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.650 -5.596 -9.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.921 -3.509 -9.224 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.200 -5.610 -9.214 1.00 0.00 H new ATOM 633 N LEU A 47 -4.312 2.315 -8.044 1.00 0.00 N ATOM 634 CA LEU A 47 -3.496 3.506 -7.833 1.00 0.00 C ATOM 635 C LEU A 47 -2.039 3.238 -8.194 1.00 0.00 C ATOM 636 O LEU A 47 -1.563 2.107 -8.098 1.00 0.00 O ATOM 637 CB LEU A 47 -3.597 3.966 -6.378 1.00 0.00 C ATOM 638 CG LEU A 47 -3.017 3.014 -5.331 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.515 3.217 -5.199 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.704 3.215 -3.988 1.00 0.00 C ATOM 0 H LEU A 47 -3.822 1.435 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.873 4.295 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.091 4.927 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.648 4.135 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.198 1.990 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.120 2.531 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.036 3.022 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.312 4.244 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.278 2.529 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.555 4.242 -3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.771 3.018 -4.092 1.00 0.00 H new ATOM 652 N GLU A 48 -1.334 4.287 -8.607 1.00 0.00 N ATOM 653 CA GLU A 48 0.070 4.165 -8.981 1.00 0.00 C ATOM 654 C GLU A 48 0.968 4.846 -7.952 1.00 0.00 C ATOM 655 O GLU A 48 0.707 5.972 -7.532 1.00 0.00 O ATOM 656 CB GLU A 48 0.308 4.774 -10.364 1.00 0.00 C ATOM 657 CG GLU A 48 1.442 4.117 -11.132 1.00 0.00 C ATOM 658 CD GLU A 48 1.773 4.844 -12.421 1.00 0.00 C ATOM 659 OE1 GLU A 48 2.007 6.069 -12.368 1.00 0.00 O ATOM 660 OE2 GLU A 48 1.798 4.186 -13.482 1.00 0.00 O ATOM 0 H GLU A 48 -1.712 5.231 -8.691 1.00 0.00 H new ATOM 0 HA GLU A 48 0.320 3.105 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.609 4.696 -10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.524 5.836 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.330 4.082 -10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.172 3.086 -11.360 1.00 0.00 H new ATOM 667 N GLY A 49 2.029 4.152 -7.549 1.00 0.00 N ATOM 668 CA GLY A 49 2.949 4.704 -6.573 1.00 0.00 C ATOM 669 C GLY A 49 4.391 4.336 -6.862 1.00 0.00 C ATOM 670 O GLY A 49 4.664 3.461 -7.684 1.00 0.00 O ATOM 0 H GLY A 49 2.267 3.218 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.850 5.789 -6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.678 4.346 -5.580 1.00 0.00 H new ATOM 674 N LYS A 50 5.318 5.006 -6.186 1.00 0.00 N ATOM 675 CA LYS A 50 6.740 4.746 -6.374 1.00 0.00 C ATOM 676 C LYS A 50 7.369 4.209 -5.093 1.00 0.00 C ATOM 677 O LYS A 50 6.930 4.534 -3.991 1.00 0.00 O ATOM 678 CB LYS A 50 7.460 6.024 -6.811 1.00 0.00 C ATOM 679 CG LYS A 50 8.945 5.830 -7.064 1.00 0.00 C ATOM 680 CD LYS A 50 9.513 6.942 -7.929 1.00 0.00 C ATOM 681 CE LYS A 50 9.963 8.128 -7.089 1.00 0.00 C ATOM 682 NZ LYS A 50 10.684 9.144 -7.905 1.00 0.00 N ATOM 0 H LYS A 50 5.110 5.734 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 50 6.846 3.992 -7.154 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.992 6.402 -7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.327 6.786 -6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.476 5.800 -6.113 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.110 4.869 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.357 6.562 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.759 7.268 -8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.095 8.590 -6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.613 7.779 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.974 9.936 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.526 8.710 -8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.056 9.496 -8.655 1.00 0.00 H new ATOM 696 N ASN A 51 8.401 3.385 -5.246 1.00 0.00 N ATOM 697 CA ASN A 51 9.091 2.803 -4.100 1.00 0.00 C ATOM 698 C ASN A 51 10.506 3.359 -3.978 1.00 0.00 C ATOM 699 O ASN A 51 10.957 4.130 -4.824 1.00 0.00 O ATOM 700 CB ASN A 51 9.139 1.279 -4.227 1.00 0.00 C ATOM 701 CG ASN A 51 10.286 0.807 -5.099 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.933 1.605 -5.779 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.545 -0.495 -5.083 1.00 0.00 N ATOM 0 H ASN A 51 8.778 3.105 -6.152 1.00 0.00 H new ATOM 0 HA ASN A 51 8.536 3.068 -3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.235 0.837 -3.235 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.198 0.922 -4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.306 -0.871 -5.649 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.983 -1.120 -4.505 1.00 0.00 H new ATOM 710 N ASN A 52 11.203 2.961 -2.918 1.00 0.00 N ATOM 711 CA ASN A 52 12.568 3.419 -2.684 1.00 0.00 C ATOM 712 C ASN A 52 13.424 3.237 -3.934 1.00 0.00 C ATOM 713 O ASN A 52 14.274 4.072 -4.245 1.00 0.00 O ATOM 714 CB ASN A 52 13.189 2.658 -1.511 1.00 0.00 C ATOM 715 CG ASN A 52 12.707 3.172 -0.168 1.00 0.00 C ATOM 716 OD1 ASN A 52 12.923 4.334 0.178 1.00 0.00 O ATOM 717 ND2 ASN A 52 12.050 2.307 0.595 1.00 0.00 N ATOM 0 H ASN A 52 10.845 2.322 -2.208 1.00 0.00 H new ATOM 0 HA ASN A 52 12.533 4.481 -2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.947 1.599 -1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.275 2.742 -1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.701 2.596 1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.894 1.354 0.267 1.00 0.00 H new ATOM 724 N LYS A 53 13.194 2.140 -4.647 1.00 0.00 N ATOM 725 CA LYS A 53 13.942 1.847 -5.864 1.00 0.00 C ATOM 726 C LYS A 53 13.328 2.559 -7.065 1.00 0.00 C ATOM 727 O LYS A 53 13.385 2.063 -8.189 1.00 0.00 O ATOM 728 CB LYS A 53 13.977 0.338 -6.116 1.00 0.00 C ATOM 729 CG LYS A 53 15.052 -0.386 -5.324 1.00 0.00 C ATOM 730 CD LYS A 53 14.814 -1.887 -5.303 1.00 0.00 C ATOM 731 CE LYS A 53 15.256 -2.539 -6.604 1.00 0.00 C ATOM 732 NZ LYS A 53 14.470 -3.768 -6.904 1.00 0.00 N ATOM 0 H LYS A 53 12.495 1.438 -4.403 1.00 0.00 H new ATOM 0 HA LYS A 53 14.961 2.210 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.005 -0.086 -5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.138 0.159 -7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 53 16.029 -0.178 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.071 -0.005 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.358 -2.331 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.756 -2.086 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.145 -1.828 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.315 -2.791 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.802 -4.182 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.596 -4.457 -6.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.463 -3.524 -6.988 1.00 0.00 H new ATOM 746 N GLY A 54 12.740 3.726 -6.818 1.00 0.00 N ATOM 747 CA GLY A 54 12.125 4.488 -7.890 1.00 0.00 C ATOM 748 C GLY A 54 11.319 3.616 -8.832 1.00 0.00 C ATOM 749 O GLY A 54 11.333 3.825 -10.044 1.00 0.00 O ATOM 0 H GLY A 54 12.679 4.157 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.476 5.252 -7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.900 5.007 -8.454 1.00 0.00 H new ATOM 753 N GLU A 55 10.615 2.636 -8.273 1.00 0.00 N ATOM 754 CA GLU A 55 9.802 1.729 -9.073 1.00 0.00 C ATOM 755 C GLU A 55 8.337 2.155 -9.060 1.00 0.00 C ATOM 756 O GLU A 55 7.693 2.163 -8.011 1.00 0.00 O ATOM 757 CB GLU A 55 9.932 0.296 -8.551 1.00 0.00 C ATOM 758 CG GLU A 55 11.276 -0.343 -8.857 1.00 0.00 C ATOM 759 CD GLU A 55 11.414 -0.741 -10.314 1.00 0.00 C ATOM 760 OE1 GLU A 55 10.507 -1.424 -10.832 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.431 -0.367 -10.936 1.00 0.00 O ATOM 0 H GLU A 55 10.592 2.451 -7.270 1.00 0.00 H new ATOM 0 HA GLU A 55 10.165 1.769 -10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.776 0.296 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.141 -0.314 -8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.073 0.354 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.406 -1.225 -8.229 1.00 0.00 H new ATOM 768 N GLN A 56 7.819 2.510 -10.231 1.00 0.00 N ATOM 769 CA GLN A 56 6.431 2.939 -10.354 1.00 0.00 C ATOM 770 C GLN A 56 5.586 1.865 -11.031 1.00 0.00 C ATOM 771 O GLN A 56 5.896 1.424 -12.137 1.00 0.00 O ATOM 772 CB GLN A 56 6.347 4.245 -11.145 1.00 0.00 C ATOM 773 CG GLN A 56 5.093 5.054 -10.853 1.00 0.00 C ATOM 774 CD GLN A 56 4.977 6.286 -11.728 1.00 0.00 C ATOM 775 OE1 GLN A 56 4.983 6.193 -12.956 1.00 0.00 O ATOM 776 NE2 GLN A 56 4.869 7.451 -11.100 1.00 0.00 N ATOM 0 H GLN A 56 8.340 2.509 -11.108 1.00 0.00 H new ATOM 0 HA GLN A 56 6.039 3.104 -9.351 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.223 4.854 -10.919 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.383 4.018 -12.210 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.216 4.424 -11.001 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.096 5.356 -9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.868 7.483 -10.080 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.787 8.314 -11.637 1.00 0.00 H new ATOM 785 N GLY A 57 4.518 1.447 -10.359 1.00 0.00 N ATOM 786 CA GLY A 57 3.646 0.428 -10.912 1.00 0.00 C ATOM 787 C GLY A 57 2.221 0.549 -10.409 1.00 0.00 C ATOM 788 O GLY A 57 1.908 1.437 -9.615 1.00 0.00 O ATOM 0 H GLY A 57 4.241 1.796 -9.441 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.652 0.501 -12.000 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.036 -0.557 -10.656 1.00 0.00 H new ATOM 792 N LEU A 58 1.354 -0.344 -10.873 1.00 0.00 N ATOM 793 CA LEU A 58 -0.047 -0.333 -10.466 1.00 0.00 C ATOM 794 C LEU A 58 -0.260 -1.186 -9.220 1.00 0.00 C ATOM 795 O LEU A 58 0.326 -2.260 -9.083 1.00 0.00 O ATOM 796 CB LEU A 58 -0.933 -0.843 -11.605 1.00 0.00 C ATOM 797 CG LEU A 58 -0.842 -0.074 -12.923 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.561 -0.826 -14.031 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.418 1.326 -12.765 1.00 0.00 C ATOM 0 H LEU A 58 1.596 -1.085 -11.531 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.323 0.695 -10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.678 -1.885 -11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.969 -0.825 -11.268 1.00 0.00 H new ATOM 0 HG LEU A 58 0.209 0.016 -13.197 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.485 -0.263 -14.961 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.103 -1.806 -14.162 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.611 -0.949 -13.766 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.345 1.859 -13.713 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.464 1.257 -12.467 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.858 1.866 -12.001 1.00 0.00 H new ATOM 811 N VAL A 59 -1.104 -0.702 -8.314 1.00 0.00 N ATOM 812 CA VAL A 59 -1.397 -1.422 -7.081 1.00 0.00 C ATOM 813 C VAL A 59 -2.874 -1.316 -6.720 1.00 0.00 C ATOM 814 O VAL A 59 -3.495 -0.260 -6.844 1.00 0.00 O ATOM 815 CB VAL A 59 -0.554 -0.889 -5.907 1.00 0.00 C ATOM 816 CG1 VAL A 59 -0.916 -1.611 -4.618 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.930 -1.032 -6.208 1.00 0.00 C ATOM 0 H VAL A 59 -1.597 0.186 -8.411 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.143 -2.467 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.775 0.170 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.310 -1.221 -3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.971 -1.452 -4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.726 -2.678 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.510 -0.650 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.169 -2.083 -6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.175 -0.465 -7.106 1.00 0.00 H new ATOM 827 N PRO A 60 -3.453 -2.437 -6.263 1.00 0.00 N ATOM 828 CA PRO A 60 -4.865 -2.496 -5.874 1.00 0.00 C ATOM 829 C PRO A 60 -5.148 -1.711 -4.597 1.00 0.00 C ATOM 830 O PRO A 60 -4.539 -1.958 -3.556 1.00 0.00 O ATOM 831 CB PRO A 60 -5.109 -3.990 -5.648 1.00 0.00 C ATOM 832 CG PRO A 60 -3.768 -4.545 -5.309 1.00 0.00 C ATOM 833 CD PRO A 60 -2.774 -3.731 -6.090 1.00 0.00 C ATOM 0 HA PRO A 60 -5.514 -2.054 -6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.822 -4.157 -4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.520 -4.464 -6.540 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.575 -4.474 -4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.704 -5.600 -5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.833 -3.622 -5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.541 -4.194 -7.049 1.00 0.00 H new ATOM 841 N THR A 61 -6.077 -0.764 -4.684 1.00 0.00 N ATOM 842 CA THR A 61 -6.440 0.057 -3.536 1.00 0.00 C ATOM 843 C THR A 61 -6.989 -0.798 -2.400 1.00 0.00 C ATOM 844 O THR A 61 -6.771 -0.501 -1.225 1.00 0.00 O ATOM 845 CB THR A 61 -7.488 1.121 -3.915 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.691 0.485 -4.362 1.00 0.00 O ATOM 847 CG2 THR A 61 -6.958 2.038 -5.006 1.00 0.00 C ATOM 0 H THR A 61 -6.591 -0.547 -5.538 1.00 0.00 H new ATOM 0 HA THR A 61 -5.530 0.556 -3.204 1.00 0.00 H new ATOM 0 HB THR A 61 -7.701 1.721 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.581 0.194 -5.291 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.715 2.781 -5.257 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.059 2.542 -4.652 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.720 1.449 -5.892 1.00 0.00 H new ATOM 855 N ASP A 62 -7.702 -1.861 -2.756 1.00 0.00 N ATOM 856 CA ASP A 62 -8.281 -2.761 -1.766 1.00 0.00 C ATOM 857 C ASP A 62 -7.206 -3.303 -0.830 1.00 0.00 C ATOM 858 O ASP A 62 -7.495 -3.708 0.296 1.00 0.00 O ATOM 859 CB ASP A 62 -9.003 -3.918 -2.458 1.00 0.00 C ATOM 860 CG ASP A 62 -8.261 -4.414 -3.683 1.00 0.00 C ATOM 861 OD1 ASP A 62 -8.028 -3.604 -4.603 1.00 0.00 O ATOM 862 OD2 ASP A 62 -7.913 -5.613 -3.721 1.00 0.00 O ATOM 0 H ASP A 62 -7.893 -2.120 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.001 -2.196 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.124 -4.740 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.003 -3.597 -2.748 1.00 0.00 H new ATOM 867 N TYR A 63 -5.965 -3.307 -1.303 1.00 0.00 N ATOM 868 CA TYR A 63 -4.846 -3.802 -0.509 1.00 0.00 C ATOM 869 C TYR A 63 -4.258 -2.692 0.356 1.00 0.00 C ATOM 870 O TYR A 63 -3.886 -2.917 1.508 1.00 0.00 O ATOM 871 CB TYR A 63 -3.763 -4.381 -1.421 1.00 0.00 C ATOM 872 CG TYR A 63 -4.021 -5.812 -1.835 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.059 -6.129 -2.703 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.227 -6.848 -1.358 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.299 -7.435 -3.083 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.459 -8.157 -1.734 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.496 -8.445 -2.597 1.00 0.00 C ATOM 878 OH TYR A 63 -4.730 -9.748 -2.973 1.00 0.00 O ATOM 0 H TYR A 63 -5.708 -2.973 -2.232 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.219 -4.589 0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.683 -3.762 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.802 -4.327 -0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.689 -5.340 -3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.415 -6.626 -0.682 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.111 -7.664 -3.757 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.832 -8.950 -1.354 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.074 -10.335 -2.543 1.00 0.00 H new ATOM 888 N VAL A 64 -4.178 -1.491 -0.208 1.00 0.00 N ATOM 889 CA VAL A 64 -3.637 -0.343 0.512 1.00 0.00 C ATOM 890 C VAL A 64 -4.680 0.760 0.648 1.00 0.00 C ATOM 891 O VAL A 64 -5.286 1.180 -0.337 1.00 0.00 O ATOM 892 CB VAL A 64 -2.393 0.226 -0.195 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.444 -0.895 -0.591 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.799 1.047 -1.410 1.00 0.00 C ATOM 0 H VAL A 64 -4.481 -1.287 -1.161 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.353 -0.695 1.504 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.870 0.883 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.571 -0.474 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.127 -1.436 0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.953 -1.580 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.907 1.441 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.346 0.415 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.435 1.874 -1.094 1.00 0.00 H new ATOM 904 N GLU A 65 -4.883 1.226 1.877 1.00 0.00 N ATOM 905 CA GLU A 65 -5.854 2.282 2.142 1.00 0.00 C ATOM 906 C GLU A 65 -5.165 3.639 2.251 1.00 0.00 C ATOM 907 O GLU A 65 -4.377 3.876 3.167 1.00 0.00 O ATOM 908 CB GLU A 65 -6.625 1.984 3.430 1.00 0.00 C ATOM 909 CG GLU A 65 -7.472 3.149 3.914 1.00 0.00 C ATOM 910 CD GLU A 65 -8.659 2.701 4.745 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.706 2.368 4.152 1.00 0.00 O ATOM 912 OE2 GLU A 65 -8.540 2.683 5.988 1.00 0.00 O ATOM 0 H GLU A 65 -4.389 0.890 2.703 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.554 2.315 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.269 1.120 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.917 1.710 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.852 3.823 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.828 3.716 3.054 1.00 0.00 H new ATOM 919 N ILE A 66 -5.467 4.526 1.309 1.00 0.00 N ATOM 920 CA ILE A 66 -4.878 5.860 1.299 1.00 0.00 C ATOM 921 C ILE A 66 -5.226 6.624 2.572 1.00 0.00 C ATOM 922 O ILE A 66 -6.368 6.596 3.034 1.00 0.00 O ATOM 923 CB ILE A 66 -5.350 6.674 0.079 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.985 5.949 -1.217 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.738 8.067 0.104 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.662 6.523 -2.442 1.00 0.00 C ATOM 0 H ILE A 66 -6.116 4.345 0.543 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.798 5.728 1.242 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.435 6.774 0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.905 5.991 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.253 4.897 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.080 8.630 -0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.043 8.582 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.651 7.987 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.357 5.960 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.744 6.456 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.374 7.567 -2.561 1.00 0.00 H new ATOM 938 N LEU A 67 -4.236 7.308 3.133 1.00 0.00 N ATOM 939 CA LEU A 67 -4.437 8.083 4.353 1.00 0.00 C ATOM 940 C LEU A 67 -4.816 9.524 4.026 1.00 0.00 C ATOM 941 O LEU A 67 -4.339 10.113 3.056 1.00 0.00 O ATOM 942 CB LEU A 67 -3.170 8.060 5.210 1.00 0.00 C ATOM 943 CG LEU A 67 -2.665 6.677 5.623 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.233 6.761 6.128 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.572 6.071 6.683 1.00 0.00 C ATOM 0 H LEU A 67 -3.286 7.342 2.763 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.255 7.629 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.375 8.566 4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.355 8.642 6.113 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.682 6.029 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.890 5.768 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.591 7.150 5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.190 7.425 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.196 5.087 6.964 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.588 6.717 7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.582 5.974 6.285 1.00 0.00 H new ATOM 957 N PRO A 68 -5.695 10.108 4.855 1.00 0.00 N ATOM 958 CA PRO A 68 -6.156 11.488 4.677 1.00 0.00 C ATOM 959 C PRO A 68 -5.059 12.507 4.964 1.00 0.00 C ATOM 960 O PRO A 68 -5.291 13.714 4.911 1.00 0.00 O ATOM 961 CB PRO A 68 -7.288 11.618 5.698 1.00 0.00 C ATOM 962 CG PRO A 68 -6.971 10.608 6.746 1.00 0.00 C ATOM 963 CD PRO A 68 -6.305 9.465 6.031 1.00 0.00 C ATOM 0 HA PRO A 68 -6.465 11.686 3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.330 12.623 6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.258 11.423 5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.314 11.028 7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.876 10.276 7.255 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.556 8.980 6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.024 8.698 5.742 1.00 0.00 H new