USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 63 LYS NZ :NH3+ 140:sc= -1.35 (180deg=-3.16!) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -1.69 K(o=-3,f=-16!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0453 (180deg=-0.617) USER MOD Single : A 1 MET N :NH3+ -132:sc= -0.36 (180deg=-0.713) USER MOD Single : A 2 GLN : amide:sc= -0.0663 K(o=-0.066,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ -162:sc= -0.0531 (180deg=-0.431) USER MOD Single : A 7 THR OG1 : rot -78:sc= 0.0217 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= -0.46 (180deg=-1.15) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 20:sc= 0.131 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.222 K(o=0.22,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0249 (180deg=-0.276) USER MOD Single : A 31 GLN : amide:sc= -2.92 X(o=-2.9,f=-3.1) USER MOD Single : A 33 LYS NZ :NH3+ -135:sc= -0.303 (180deg=-1.41!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= -1.68 K(o=-1.7,f=-0.67) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 28:sc= -0.439 USER MOD Single : A 60 ASN : amide:sc= -0.0931 K(o=-0.093,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.490 28.845 2.085 1.00 0.00 N ATOM 2 CA MET A 1 27.235 29.633 1.932 1.00 0.00 C ATOM 3 C MET A 1 27.278 30.843 2.869 1.00 0.00 C ATOM 4 O MET A 1 27.874 31.857 2.563 1.00 0.00 O ATOM 5 CB MET A 1 26.034 28.754 2.290 1.00 0.00 C ATOM 6 CG MET A 1 25.861 27.668 1.227 1.00 0.00 C ATOM 7 SD MET A 1 24.290 26.806 1.489 1.00 0.00 S ATOM 8 CE MET A 1 24.738 25.955 3.023 1.00 0.00 C ATOM 0 H1 MET A 1 28.881 28.630 1.146 1.00 0.00 H new ATOM 0 H2 MET A 1 29.182 29.397 2.630 1.00 0.00 H new ATOM 0 H3 MET A 1 28.284 27.957 2.586 1.00 0.00 H new ATOM 0 HA MET A 1 27.142 29.973 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.182 28.299 3.269 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.131 29.362 2.354 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.882 28.112 0.232 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.689 26.960 1.278 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.070 25.107 3.177 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.766 25.599 2.955 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.648 26.645 3.862 1.00 0.00 H new ATOM 20 N GLN A 2 26.646 30.745 4.007 1.00 0.00 N ATOM 21 CA GLN A 2 26.650 31.889 4.962 1.00 0.00 C ATOM 22 C GLN A 2 26.315 31.377 6.365 1.00 0.00 C ATOM 23 O GLN A 2 25.182 31.428 6.800 1.00 0.00 O ATOM 24 CB GLN A 2 25.601 32.917 4.530 1.00 0.00 C ATOM 25 CG GLN A 2 25.635 34.117 5.479 1.00 0.00 C ATOM 26 CD GLN A 2 24.658 35.186 4.985 1.00 0.00 C ATOM 27 OE1 GLN A 2 24.177 35.118 3.871 1.00 0.00 O ATOM 28 NE2 GLN A 2 24.343 36.179 5.772 1.00 0.00 N ATOM 0 H GLN A 2 26.128 29.923 4.316 1.00 0.00 H new ATOM 0 HA GLN A 2 27.635 32.357 4.969 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.796 33.243 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 2 24.610 32.464 4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 2 25.368 33.804 6.488 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.644 34.526 5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.746 36.236 6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.693 36.897 5.452 1.00 0.00 H new ATOM 37 N ILE A 3 27.290 30.879 7.076 1.00 0.00 N ATOM 38 CA ILE A 3 27.021 30.361 8.447 1.00 0.00 C ATOM 39 C ILE A 3 26.741 31.539 9.386 1.00 0.00 C ATOM 40 O ILE A 3 27.509 32.478 9.467 1.00 0.00 O ATOM 41 CB ILE A 3 28.246 29.571 8.943 1.00 0.00 C ATOM 42 CG1 ILE A 3 28.331 28.228 8.203 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.119 29.301 10.448 1.00 0.00 C ATOM 44 CD1 ILE A 3 28.682 28.450 6.727 1.00 0.00 C ATOM 0 H ILE A 3 28.260 30.809 6.767 1.00 0.00 H new ATOM 0 HA ILE A 3 26.153 29.701 8.431 1.00 0.00 H new ATOM 0 HB ILE A 3 29.144 30.158 8.750 1.00 0.00 H new ATOM 0 HG12 ILE A 3 29.085 27.595 8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 3 27.380 27.702 8.282 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.989 28.742 10.792 1.00 0.00 H new ATOM 0 HG22 ILE A 3 28.061 30.248 10.984 1.00 0.00 H new ATOM 0 HG23 ILE A 3 27.216 28.721 10.639 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.738 27.488 6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.913 29.064 6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.645 28.956 6.654 1.00 0.00 H new ATOM 56 N PHE A 4 25.644 31.496 10.095 1.00 0.00 N ATOM 57 CA PHE A 4 25.309 32.612 11.026 1.00 0.00 C ATOM 58 C PHE A 4 26.072 32.433 12.340 1.00 0.00 C ATOM 59 O PHE A 4 26.282 31.331 12.806 1.00 0.00 O ATOM 60 CB PHE A 4 23.805 32.608 11.305 1.00 0.00 C ATOM 61 CG PHE A 4 23.061 33.006 10.054 1.00 0.00 C ATOM 62 CD1 PHE A 4 22.638 32.025 9.150 1.00 0.00 C ATOM 63 CD2 PHE A 4 22.794 34.356 9.798 1.00 0.00 C ATOM 64 CE1 PHE A 4 21.949 32.391 7.988 1.00 0.00 C ATOM 65 CE2 PHE A 4 22.105 34.723 8.635 1.00 0.00 C ATOM 66 CZ PHE A 4 21.682 33.742 7.732 1.00 0.00 C ATOM 0 H PHE A 4 24.965 30.735 10.069 1.00 0.00 H new ATOM 0 HA PHE A 4 25.593 33.561 10.570 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.487 31.617 11.630 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.573 33.299 12.115 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.844 30.984 9.349 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.119 35.113 10.496 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.624 31.633 7.290 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.900 35.764 8.435 1.00 0.00 H new ATOM 0 HZ PHE A 4 21.149 34.026 6.837 1.00 0.00 H new ATOM 76 N VAL A 5 26.482 33.519 12.943 1.00 0.00 N ATOM 77 CA VAL A 5 27.225 33.432 14.237 1.00 0.00 C ATOM 78 C VAL A 5 26.796 34.582 15.149 1.00 0.00 C ATOM 79 O VAL A 5 27.217 35.709 14.979 1.00 0.00 O ATOM 80 CB VAL A 5 28.727 33.529 13.966 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.500 33.242 15.255 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.120 32.504 12.899 1.00 0.00 C ATOM 0 H VAL A 5 26.334 34.466 12.594 1.00 0.00 H new ATOM 0 HA VAL A 5 27.003 32.482 14.723 1.00 0.00 H new ATOM 0 HB VAL A 5 28.967 34.532 13.614 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.570 33.311 15.061 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.221 33.971 16.016 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.260 32.239 15.608 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.190 32.573 12.705 1.00 0.00 H new ATOM 0 HG22 VAL A 5 28.879 31.501 13.251 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.571 32.707 11.979 1.00 0.00 H new ATOM 92 N LYS A 6 25.957 34.309 16.117 1.00 0.00 N ATOM 93 CA LYS A 6 25.489 35.383 17.050 1.00 0.00 C ATOM 94 C LYS A 6 26.217 35.249 18.390 1.00 0.00 C ATOM 95 O LYS A 6 26.377 34.164 18.917 1.00 0.00 O ATOM 96 CB LYS A 6 23.983 35.234 17.274 1.00 0.00 C ATOM 97 CG LYS A 6 23.481 36.378 18.159 1.00 0.00 C ATOM 98 CD LYS A 6 21.964 36.267 18.320 1.00 0.00 C ATOM 99 CE LYS A 6 21.456 37.424 19.183 1.00 0.00 C ATOM 100 NZ LYS A 6 22.024 37.306 20.555 1.00 0.00 N ATOM 0 H LYS A 6 25.573 33.383 16.303 1.00 0.00 H new ATOM 0 HA LYS A 6 25.702 36.361 16.618 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.460 35.244 16.318 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.768 34.275 17.745 1.00 0.00 H new ATOM 0 HG2 LYS A 6 23.965 36.337 19.135 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.741 37.338 17.714 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.481 36.289 17.343 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.705 35.314 18.782 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.744 38.377 18.739 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.367 37.409 19.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.464 37.885 21.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.996 36.312 20.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.009 37.639 20.553 1.00 0.00 H new ATOM 114 N THR A 7 26.662 36.346 18.946 1.00 0.00 N ATOM 115 CA THR A 7 27.381 36.295 20.256 1.00 0.00 C ATOM 116 C THR A 7 26.398 36.607 21.386 1.00 0.00 C ATOM 117 O THR A 7 25.215 36.773 21.163 1.00 0.00 O ATOM 118 CB THR A 7 28.503 37.335 20.261 1.00 0.00 C ATOM 119 OG1 THR A 7 27.938 38.637 20.220 1.00 0.00 O ATOM 120 CG2 THR A 7 29.402 37.126 19.040 1.00 0.00 C ATOM 0 H THR A 7 26.558 37.279 18.548 1.00 0.00 H new ATOM 0 HA THR A 7 27.803 35.301 20.401 1.00 0.00 H new ATOM 0 HB THR A 7 29.097 37.225 21.168 1.00 0.00 H new ATOM 0 HG1 THR A 7 27.651 38.840 19.305 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.201 37.868 19.045 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.835 36.126 19.074 1.00 0.00 H new ATOM 0 HG23 THR A 7 28.811 37.235 18.130 1.00 0.00 H new ATOM 128 N LEU A 8 26.877 36.686 22.597 1.00 0.00 N ATOM 129 CA LEU A 8 25.967 36.988 23.739 1.00 0.00 C ATOM 130 C LEU A 8 25.672 38.489 23.778 1.00 0.00 C ATOM 131 O LEU A 8 24.620 38.913 24.213 1.00 0.00 O ATOM 132 CB LEU A 8 26.636 36.552 25.053 1.00 0.00 C ATOM 133 CG LEU A 8 28.025 37.236 25.216 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.916 38.474 26.116 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.019 36.256 25.857 1.00 0.00 C ATOM 0 H LEU A 8 27.858 36.555 22.845 1.00 0.00 H new ATOM 0 HA LEU A 8 25.031 36.444 23.614 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.996 36.811 25.896 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.755 35.469 25.064 1.00 0.00 H new ATOM 0 HG LEU A 8 28.373 37.534 24.227 1.00 0.00 H new ATOM 0 HD11 LEU A 8 28.897 38.938 26.217 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.222 39.187 25.671 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.551 38.178 27.100 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.989 36.742 25.968 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.651 35.953 26.837 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.124 35.377 25.221 1.00 0.00 H new ATOM 147 N THR A 9 26.594 39.298 23.332 1.00 0.00 N ATOM 148 CA THR A 9 26.368 40.772 23.347 1.00 0.00 C ATOM 149 C THR A 9 25.478 41.164 22.164 1.00 0.00 C ATOM 150 O THR A 9 25.128 42.315 21.994 1.00 0.00 O ATOM 151 CB THR A 9 27.715 41.493 23.237 1.00 0.00 C ATOM 152 OG1 THR A 9 28.579 41.035 24.267 1.00 0.00 O ATOM 153 CG2 THR A 9 27.512 43.006 23.377 1.00 0.00 C ATOM 0 H THR A 9 27.495 39.002 22.957 1.00 0.00 H new ATOM 0 HA THR A 9 25.878 41.057 24.278 1.00 0.00 H new ATOM 0 HB THR A 9 28.157 41.281 22.264 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.442 41.494 24.198 1.00 0.00 H new ATOM 0 HG21 THR A 9 28.475 43.511 23.298 1.00 0.00 H new ATOM 0 HG22 THR A 9 26.851 43.359 22.586 1.00 0.00 H new ATOM 0 HG23 THR A 9 27.066 43.225 24.347 1.00 0.00 H new ATOM 161 N GLY A 10 25.112 40.215 21.343 1.00 0.00 N ATOM 162 CA GLY A 10 24.245 40.527 20.165 1.00 0.00 C ATOM 163 C GLY A 10 25.127 40.753 18.937 1.00 0.00 C ATOM 164 O GLY A 10 24.669 40.705 17.813 1.00 0.00 O ATOM 0 H GLY A 10 25.376 39.234 21.437 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.550 39.707 19.983 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.645 41.415 20.365 1.00 0.00 H new ATOM 168 N LYS A 11 26.393 40.994 19.142 1.00 0.00 N ATOM 169 CA LYS A 11 27.302 41.216 17.985 1.00 0.00 C ATOM 170 C LYS A 11 27.152 40.051 17.006 1.00 0.00 C ATOM 171 O LYS A 11 27.557 38.939 17.284 1.00 0.00 O ATOM 172 CB LYS A 11 28.752 41.293 18.474 1.00 0.00 C ATOM 173 CG LYS A 11 28.995 42.649 19.142 1.00 0.00 C ATOM 174 CD LYS A 11 30.286 42.595 19.965 1.00 0.00 C ATOM 175 CE LYS A 11 31.463 42.223 19.059 1.00 0.00 C ATOM 176 NZ LYS A 11 31.386 43.009 17.795 1.00 0.00 N ATOM 0 H LYS A 11 26.836 41.046 20.060 1.00 0.00 H new ATOM 0 HA LYS A 11 27.044 42.152 17.489 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.952 40.487 19.180 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.437 41.160 17.636 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.067 43.430 18.385 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.153 42.905 19.785 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.469 43.561 20.436 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.187 41.863 20.767 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.405 42.425 19.568 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.442 41.156 18.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.334 43.083 17.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.747 42.532 17.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.024 43.962 18.000 1.00 0.00 H new ATOM 190 N THR A 12 26.564 40.290 15.863 1.00 0.00 N ATOM 191 CA THR A 12 26.377 39.191 14.868 1.00 0.00 C ATOM 192 C THR A 12 27.554 39.168 13.895 1.00 0.00 C ATOM 193 O THR A 12 28.120 40.188 13.559 1.00 0.00 O ATOM 194 CB THR A 12 25.082 39.424 14.086 1.00 0.00 C ATOM 195 OG1 THR A 12 23.981 39.425 14.984 1.00 0.00 O ATOM 196 CG2 THR A 12 24.901 38.306 13.054 1.00 0.00 C ATOM 0 H THR A 12 26.204 41.200 15.575 1.00 0.00 H new ATOM 0 HA THR A 12 26.323 38.238 15.394 1.00 0.00 H new ATOM 0 HB THR A 12 25.133 40.385 13.574 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.152 39.576 14.484 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.979 38.471 12.497 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.746 38.306 12.366 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.849 37.344 13.565 1.00 0.00 H new ATOM 204 N ILE A 13 27.914 38.003 13.428 1.00 0.00 N ATOM 205 CA ILE A 13 29.040 37.882 12.456 1.00 0.00 C ATOM 206 C ILE A 13 28.682 36.789 11.451 1.00 0.00 C ATOM 207 O ILE A 13 28.117 35.776 11.811 1.00 0.00 O ATOM 208 CB ILE A 13 30.327 37.498 13.195 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.559 38.464 14.360 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.512 37.576 12.231 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.871 38.111 15.061 1.00 0.00 C ATOM 0 H ILE A 13 27.471 37.120 13.681 1.00 0.00 H new ATOM 0 HA ILE A 13 29.200 38.832 11.946 1.00 0.00 H new ATOM 0 HB ILE A 13 30.233 36.482 13.578 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.594 39.490 13.994 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.730 38.406 15.065 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.427 37.303 12.756 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.351 36.888 11.401 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.603 38.592 11.848 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.037 38.798 15.891 1.00 0.00 H new ATOM 0 HD12 ILE A 13 31.818 37.091 15.440 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.695 38.192 14.352 1.00 0.00 H new ATOM 223 N THR A 14 29.001 36.980 10.194 1.00 0.00 N ATOM 224 CA THR A 14 28.672 35.946 9.157 1.00 0.00 C ATOM 225 C THR A 14 29.942 35.577 8.393 1.00 0.00 C ATOM 226 O THR A 14 30.716 36.432 8.007 1.00 0.00 O ATOM 227 CB THR A 14 27.643 36.521 8.180 1.00 0.00 C ATOM 228 OG1 THR A 14 28.182 37.674 7.551 1.00 0.00 O ATOM 229 CG2 THR A 14 26.371 36.900 8.941 1.00 0.00 C ATOM 0 H THR A 14 29.477 37.809 9.838 1.00 0.00 H new ATOM 0 HA THR A 14 28.264 35.058 9.640 1.00 0.00 H new ATOM 0 HB THR A 14 27.402 35.774 7.424 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.159 37.665 7.633 1.00 0.00 H new ATOM 0 HG21 THR A 14 25.639 37.309 8.245 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.958 36.014 9.423 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.609 37.647 9.698 1.00 0.00 H new ATOM 237 N LEU A 15 30.156 34.304 8.167 1.00 0.00 N ATOM 238 CA LEU A 15 31.371 33.849 7.419 1.00 0.00 C ATOM 239 C LEU A 15 30.923 33.139 6.142 1.00 0.00 C ATOM 240 O LEU A 15 30.297 32.098 6.190 1.00 0.00 O ATOM 241 CB LEU A 15 32.165 32.867 8.288 1.00 0.00 C ATOM 242 CG LEU A 15 32.348 33.435 9.700 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.037 32.393 10.583 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.209 34.701 9.639 1.00 0.00 C ATOM 0 H LEU A 15 29.536 33.554 8.471 1.00 0.00 H new ATOM 0 HA LEU A 15 31.998 34.706 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.644 31.911 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 15 33.138 32.676 7.836 1.00 0.00 H new ATOM 0 HG LEU A 15 31.372 33.681 10.119 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.168 32.796 11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.424 31.493 10.630 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.012 32.146 10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.337 35.103 10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.185 34.458 9.218 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.718 35.445 9.011 1.00 0.00 H new ATOM 256 N GLU A 16 31.233 33.688 4.997 1.00 0.00 N ATOM 257 CA GLU A 16 30.817 33.039 3.718 1.00 0.00 C ATOM 258 C GLU A 16 31.917 32.086 3.248 1.00 0.00 C ATOM 259 O GLU A 16 32.993 32.503 2.868 1.00 0.00 O ATOM 260 CB GLU A 16 30.588 34.115 2.654 1.00 0.00 C ATOM 261 CG GLU A 16 29.350 34.937 3.017 1.00 0.00 C ATOM 262 CD GLU A 16 29.206 36.103 2.038 1.00 0.00 C ATOM 263 OE1 GLU A 16 30.134 36.333 1.281 1.00 0.00 O ATOM 264 OE2 GLU A 16 28.170 36.747 2.062 1.00 0.00 O ATOM 0 H GLU A 16 31.756 34.557 4.892 1.00 0.00 H new ATOM 0 HA GLU A 16 29.895 32.480 3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.461 34.764 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.456 33.652 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 16 28.460 34.308 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.436 35.313 4.036 1.00 0.00 H new ATOM 271 N VAL A 17 31.647 30.812 3.260 1.00 0.00 N ATOM 272 CA VAL A 17 32.667 29.828 2.801 1.00 0.00 C ATOM 273 C VAL A 17 31.977 28.498 2.500 1.00 0.00 C ATOM 274 O VAL A 17 30.932 28.198 3.042 1.00 0.00 O ATOM 275 CB VAL A 17 33.720 29.627 3.889 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.034 29.249 5.204 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.680 28.508 3.473 1.00 0.00 C ATOM 0 H VAL A 17 30.763 30.408 3.568 1.00 0.00 H new ATOM 0 HA VAL A 17 33.155 30.201 1.901 1.00 0.00 H new ATOM 0 HB VAL A 17 34.279 30.553 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.787 29.106 5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.354 30.047 5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.472 28.325 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.431 28.365 4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.121 27.582 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.172 28.779 2.539 1.00 0.00 H new ATOM 287 N GLU A 18 32.549 27.698 1.641 1.00 0.00 N ATOM 288 CA GLU A 18 31.923 26.385 1.306 1.00 0.00 C ATOM 289 C GLU A 18 31.471 25.690 2.601 1.00 0.00 C ATOM 290 O GLU A 18 32.054 25.893 3.647 1.00 0.00 O ATOM 291 CB GLU A 18 32.952 25.506 0.588 1.00 0.00 C ATOM 292 CG GLU A 18 33.119 25.985 -0.857 1.00 0.00 C ATOM 293 CD GLU A 18 31.860 25.652 -1.658 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.400 24.526 -1.562 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.374 26.529 -2.354 1.00 0.00 O ATOM 0 H GLU A 18 33.424 27.897 1.156 1.00 0.00 H new ATOM 0 HA GLU A 18 31.060 26.543 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.909 25.549 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.629 24.465 0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.300 27.060 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.987 25.508 -1.311 1.00 0.00 H new ATOM 302 N PRO A 19 30.436 24.883 2.545 1.00 0.00 N ATOM 303 CA PRO A 19 29.916 24.170 3.751 1.00 0.00 C ATOM 304 C PRO A 19 30.932 23.166 4.308 1.00 0.00 C ATOM 305 O PRO A 19 30.780 22.659 5.402 1.00 0.00 O ATOM 306 CB PRO A 19 28.648 23.457 3.241 1.00 0.00 C ATOM 307 CG PRO A 19 28.847 23.328 1.765 1.00 0.00 C ATOM 308 CD PRO A 19 29.652 24.554 1.341 1.00 0.00 C ATOM 0 HA PRO A 19 29.715 24.853 4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.528 22.481 3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 19 27.752 24.033 3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.379 22.408 1.522 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.890 23.290 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.296 24.336 0.489 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.003 25.379 1.047 1.00 0.00 H new ATOM 316 N SER A 20 31.967 22.874 3.565 1.00 0.00 N ATOM 317 CA SER A 20 32.989 21.905 4.056 1.00 0.00 C ATOM 318 C SER A 20 34.043 22.645 4.882 1.00 0.00 C ATOM 319 O SER A 20 35.090 22.111 5.191 1.00 0.00 O ATOM 320 CB SER A 20 33.659 21.218 2.867 1.00 0.00 C ATOM 321 OG SER A 20 32.669 20.874 1.905 1.00 0.00 O ATOM 0 H SER A 20 32.148 23.265 2.640 1.00 0.00 H new ATOM 0 HA SER A 20 32.503 21.154 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.402 21.879 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 20 34.187 20.324 3.199 1.00 0.00 H new ATOM 0 HG SER A 20 33.095 20.435 1.140 1.00 0.00 H new ATOM 327 N ASP A 21 33.771 23.871 5.250 1.00 0.00 N ATOM 328 CA ASP A 21 34.762 24.638 6.067 1.00 0.00 C ATOM 329 C ASP A 21 35.222 23.748 7.223 1.00 0.00 C ATOM 330 O ASP A 21 34.576 22.770 7.543 1.00 0.00 O ATOM 331 CB ASP A 21 34.115 25.910 6.627 1.00 0.00 C ATOM 332 CG ASP A 21 35.205 26.882 7.083 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.594 26.804 8.237 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.632 27.685 6.272 1.00 0.00 O ATOM 0 H ASP A 21 32.912 24.372 5.023 1.00 0.00 H new ATOM 0 HA ASP A 21 35.610 24.925 5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 21 33.491 26.378 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 21 33.463 25.660 7.464 1.00 0.00 H new ATOM 339 N THR A 22 36.327 24.066 7.853 1.00 0.00 N ATOM 340 CA THR A 22 36.819 23.220 8.983 1.00 0.00 C ATOM 341 C THR A 22 36.695 23.991 10.297 1.00 0.00 C ATOM 342 O THR A 22 36.932 25.181 10.356 1.00 0.00 O ATOM 343 CB THR A 22 38.293 22.873 8.730 1.00 0.00 C ATOM 344 OG1 THR A 22 38.471 22.576 7.351 1.00 0.00 O ATOM 345 CG2 THR A 22 38.692 21.656 9.564 1.00 0.00 C ATOM 0 H THR A 22 36.909 24.875 7.633 1.00 0.00 H new ATOM 0 HA THR A 22 36.225 22.308 9.049 1.00 0.00 H new ATOM 0 HB THR A 22 38.917 23.721 9.012 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.411 22.355 7.183 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.739 21.416 9.379 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.552 21.878 10.622 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.070 20.805 9.286 1.00 0.00 H new ATOM 353 N ILE A 23 36.306 23.322 11.347 1.00 0.00 N ATOM 354 CA ILE A 23 36.142 24.019 12.657 1.00 0.00 C ATOM 355 C ILE A 23 37.377 24.879 12.942 1.00 0.00 C ATOM 356 O ILE A 23 37.278 26.069 13.165 1.00 0.00 O ATOM 357 CB ILE A 23 35.976 22.983 13.779 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.895 21.960 13.399 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.570 23.692 15.071 1.00 0.00 C ATOM 360 CD1 ILE A 23 33.614 22.677 12.957 1.00 0.00 C ATOM 0 H ILE A 23 36.094 22.324 11.356 1.00 0.00 H new ATOM 0 HA ILE A 23 35.257 24.654 12.614 1.00 0.00 H new ATOM 0 HB ILE A 23 36.923 22.464 13.925 1.00 0.00 H new ATOM 0 HG12 ILE A 23 35.257 21.320 12.595 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.682 21.313 14.250 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.452 22.957 15.868 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.342 24.409 15.350 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.626 24.216 14.918 1.00 0.00 H new ATOM 0 HD11 ILE A 23 32.857 21.939 12.691 1.00 0.00 H new ATOM 0 HD12 ILE A 23 33.244 23.298 13.773 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.828 23.305 12.092 1.00 0.00 H new ATOM 372 N GLU A 24 38.536 24.285 12.939 1.00 0.00 N ATOM 373 CA GLU A 24 39.776 25.061 13.213 1.00 0.00 C ATOM 374 C GLU A 24 39.846 26.275 12.284 1.00 0.00 C ATOM 375 O GLU A 24 40.339 27.322 12.654 1.00 0.00 O ATOM 376 CB GLU A 24 40.996 24.169 12.973 1.00 0.00 C ATOM 377 CG GLU A 24 40.833 23.426 11.647 1.00 0.00 C ATOM 378 CD GLU A 24 42.064 22.554 11.394 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.789 22.298 12.341 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.263 22.159 10.256 1.00 0.00 O ATOM 0 H GLU A 24 38.679 23.291 12.758 1.00 0.00 H new ATOM 0 HA GLU A 24 39.765 25.401 14.249 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.903 24.773 12.954 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.105 23.456 13.790 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.936 22.808 11.673 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.706 24.139 10.832 1.00 0.00 H new ATOM 387 N ASN A 25 39.356 26.150 11.080 1.00 0.00 N ATOM 388 CA ASN A 25 39.399 27.304 10.140 1.00 0.00 C ATOM 389 C ASN A 25 38.442 28.385 10.635 1.00 0.00 C ATOM 390 O ASN A 25 38.768 29.555 10.663 1.00 0.00 O ATOM 391 CB ASN A 25 38.974 26.845 8.744 1.00 0.00 C ATOM 392 CG ASN A 25 39.313 27.931 7.722 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.308 28.615 7.853 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.519 28.123 6.704 1.00 0.00 N ATOM 0 H ASN A 25 38.929 25.301 10.709 1.00 0.00 H new ATOM 0 HA ASN A 25 40.413 27.702 10.093 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.482 25.916 8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.904 26.638 8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.734 28.847 6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 25 37.683 27.549 6.594 1.00 0.00 H new ATOM 401 N VAL A 26 37.265 28.000 11.040 1.00 0.00 N ATOM 402 CA VAL A 26 36.291 29.002 11.547 1.00 0.00 C ATOM 403 C VAL A 26 36.891 29.687 12.770 1.00 0.00 C ATOM 404 O VAL A 26 37.139 30.877 12.774 1.00 0.00 O ATOM 405 CB VAL A 26 34.999 28.291 11.947 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.961 29.326 12.376 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.469 27.492 10.758 1.00 0.00 C ATOM 0 H VAL A 26 36.936 27.034 11.041 1.00 0.00 H new ATOM 0 HA VAL A 26 36.074 29.740 10.774 1.00 0.00 H new ATOM 0 HB VAL A 26 35.197 27.613 12.777 1.00 0.00 H new ATOM 0 HG11 VAL A 26 33.039 28.820 12.662 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.342 29.893 13.226 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.760 30.005 11.547 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.547 26.984 11.043 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.269 28.167 9.926 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.212 26.753 10.456 1.00 0.00 H new ATOM 417 N LYS A 27 37.122 28.934 13.811 1.00 0.00 N ATOM 418 CA LYS A 27 37.705 29.511 15.055 1.00 0.00 C ATOM 419 C LYS A 27 38.848 30.467 14.696 1.00 0.00 C ATOM 420 O LYS A 27 39.076 31.454 15.365 1.00 0.00 O ATOM 421 CB LYS A 27 38.240 28.374 15.927 1.00 0.00 C ATOM 422 CG LYS A 27 37.070 27.541 16.454 1.00 0.00 C ATOM 423 CD LYS A 27 37.573 26.583 17.538 1.00 0.00 C ATOM 424 CE LYS A 27 36.382 25.871 18.182 1.00 0.00 C ATOM 425 NZ LYS A 27 36.871 24.955 19.252 1.00 0.00 N ATOM 0 H LYS A 27 36.929 27.933 13.852 1.00 0.00 H new ATOM 0 HA LYS A 27 36.938 30.063 15.598 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.916 27.745 15.348 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.815 28.780 16.759 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.298 28.195 16.861 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.614 26.978 15.639 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.256 25.853 17.104 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.133 27.134 18.294 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.691 26.602 18.602 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.831 25.307 17.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.062 24.470 19.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 37.514 24.250 18.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 37.378 25.505 19.974 1.00 0.00 H new ATOM 439 N ALA A 28 39.563 30.181 13.645 1.00 0.00 N ATOM 440 CA ALA A 28 40.684 31.075 13.242 1.00 0.00 C ATOM 441 C ALA A 28 40.120 32.410 12.744 1.00 0.00 C ATOM 442 O ALA A 28 40.447 33.463 13.254 1.00 0.00 O ATOM 443 CB ALA A 28 41.481 30.407 12.119 1.00 0.00 C ATOM 0 H ALA A 28 39.420 29.367 13.047 1.00 0.00 H new ATOM 0 HA ALA A 28 41.335 31.255 14.097 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.303 31.057 11.820 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.880 29.456 12.472 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.828 30.231 11.264 1.00 0.00 H new ATOM 449 N LYS A 29 39.278 32.372 11.747 1.00 0.00 N ATOM 450 CA LYS A 29 38.695 33.635 11.208 1.00 0.00 C ATOM 451 C LYS A 29 38.075 34.446 12.350 1.00 0.00 C ATOM 452 O LYS A 29 38.002 35.654 12.297 1.00 0.00 O ATOM 453 CB LYS A 29 37.619 33.292 10.175 1.00 0.00 C ATOM 454 CG LYS A 29 38.286 32.873 8.855 1.00 0.00 C ATOM 455 CD LYS A 29 37.314 32.026 8.037 1.00 0.00 C ATOM 456 CE LYS A 29 37.988 31.583 6.736 1.00 0.00 C ATOM 457 NZ LYS A 29 38.175 32.764 5.848 1.00 0.00 N ATOM 0 H LYS A 29 38.968 31.519 11.281 1.00 0.00 H new ATOM 0 HA LYS A 29 39.479 34.227 10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.987 32.485 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.972 34.153 10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.581 33.756 8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 29 39.195 32.307 9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.003 31.154 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.414 32.599 7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.951 31.120 6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 29 37.378 30.831 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.374 32.442 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.309 33.340 5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.972 33.335 6.194 1.00 0.00 H new ATOM 471 N ILE A 30 37.630 33.791 13.381 1.00 0.00 N ATOM 472 CA ILE A 30 37.017 34.521 14.523 1.00 0.00 C ATOM 473 C ILE A 30 38.126 35.027 15.455 1.00 0.00 C ATOM 474 O ILE A 30 38.289 36.213 15.656 1.00 0.00 O ATOM 475 CB ILE A 30 36.093 33.558 15.273 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.875 33.251 14.397 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.627 34.200 16.581 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.133 32.037 14.952 1.00 0.00 C ATOM 0 H ILE A 30 37.664 32.777 13.484 1.00 0.00 H new ATOM 0 HA ILE A 30 36.442 35.376 14.166 1.00 0.00 H new ATOM 0 HB ILE A 30 36.632 32.637 15.498 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.209 34.114 14.368 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.192 33.058 13.372 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.970 33.511 17.111 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.493 34.427 17.204 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.086 35.121 16.362 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.267 31.822 14.326 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.800 31.175 14.958 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.802 32.247 15.969 1.00 0.00 H new ATOM 490 N GLN A 31 38.871 34.122 16.026 1.00 0.00 N ATOM 491 CA GLN A 31 39.972 34.495 16.960 1.00 0.00 C ATOM 492 C GLN A 31 40.700 35.753 16.464 1.00 0.00 C ATOM 493 O GLN A 31 40.985 36.658 17.224 1.00 0.00 O ATOM 494 CB GLN A 31 40.956 33.326 17.024 1.00 0.00 C ATOM 495 CG GLN A 31 42.187 33.727 17.828 1.00 0.00 C ATOM 496 CD GLN A 31 43.019 32.484 18.147 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.751 32.460 19.117 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.940 31.442 17.365 1.00 0.00 N ATOM 0 H GLN A 31 38.761 33.118 15.882 1.00 0.00 H new ATOM 0 HA GLN A 31 39.560 34.707 17.946 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.477 32.461 17.483 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.249 33.031 16.017 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.785 34.442 17.264 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.885 34.222 18.751 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.326 31.461 16.551 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.492 30.609 17.568 1.00 0.00 H new ATOM 507 N ASP A 32 41.009 35.807 15.202 1.00 0.00 N ATOM 508 CA ASP A 32 41.731 37.001 14.662 1.00 0.00 C ATOM 509 C ASP A 32 40.795 38.218 14.625 1.00 0.00 C ATOM 510 O ASP A 32 41.112 39.274 15.137 1.00 0.00 O ATOM 511 CB ASP A 32 42.223 36.698 13.246 1.00 0.00 C ATOM 512 CG ASP A 32 43.357 35.672 13.308 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.875 35.456 14.390 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.686 35.120 12.272 1.00 0.00 O ATOM 0 H ASP A 32 40.796 35.081 14.518 1.00 0.00 H new ATOM 0 HA ASP A 32 42.578 37.225 15.310 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.403 36.313 12.639 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.572 37.613 12.767 1.00 0.00 H new ATOM 519 N LYS A 33 39.660 38.085 13.996 1.00 0.00 N ATOM 520 CA LYS A 33 38.721 39.236 13.892 1.00 0.00 C ATOM 521 C LYS A 33 38.315 39.732 15.283 1.00 0.00 C ATOM 522 O LYS A 33 38.308 40.919 15.542 1.00 0.00 O ATOM 523 CB LYS A 33 37.475 38.802 13.122 1.00 0.00 C ATOM 524 CG LYS A 33 37.862 38.290 11.720 1.00 0.00 C ATOM 525 CD LYS A 33 38.002 39.461 10.732 1.00 0.00 C ATOM 526 CE LYS A 33 36.633 39.845 10.155 1.00 0.00 C ATOM 527 NZ LYS A 33 36.020 38.659 9.493 1.00 0.00 N ATOM 0 H LYS A 33 39.342 37.226 13.548 1.00 0.00 H new ATOM 0 HA LYS A 33 39.220 40.050 13.366 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.954 38.018 13.672 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.784 39.641 13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.801 37.740 11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.105 37.593 11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.444 40.320 11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.679 39.184 9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 33 35.981 40.208 10.949 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.744 40.658 9.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.624 38.941 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.746 37.928 9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.261 38.279 10.095 1.00 0.00 H new ATOM 541 N GLU A 34 37.979 38.851 16.186 1.00 0.00 N ATOM 542 CA GLU A 34 37.584 39.309 17.552 1.00 0.00 C ATOM 543 C GLU A 34 38.844 39.512 18.393 1.00 0.00 C ATOM 544 O GLU A 34 38.877 40.322 19.298 1.00 0.00 O ATOM 545 CB GLU A 34 36.688 38.259 18.216 1.00 0.00 C ATOM 546 CG GLU A 34 35.487 37.971 17.314 1.00 0.00 C ATOM 547 CD GLU A 34 34.504 37.057 18.051 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.928 36.387 18.977 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.344 37.042 17.673 1.00 0.00 O ATOM 0 H GLU A 34 37.960 37.842 16.041 1.00 0.00 H new ATOM 0 HA GLU A 34 37.034 40.247 17.476 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.252 37.343 18.392 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.349 38.617 19.188 1.00 0.00 H new ATOM 0 HG2 GLU A 34 34.995 38.903 17.036 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.818 37.497 16.390 1.00 0.00 H new ATOM 556 N GLY A 35 39.884 38.783 18.094 1.00 0.00 N ATOM 557 CA GLY A 35 41.148 38.928 18.868 1.00 0.00 C ATOM 558 C GLY A 35 41.026 38.177 20.189 1.00 0.00 C ATOM 559 O GLY A 35 41.904 38.218 21.027 1.00 0.00 O ATOM 0 H GLY A 35 39.912 38.091 17.345 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.986 38.537 18.292 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.353 39.982 19.055 1.00 0.00 H new ATOM 563 N ILE A 36 39.937 37.493 20.378 1.00 0.00 N ATOM 564 CA ILE A 36 39.725 36.731 21.631 1.00 0.00 C ATOM 565 C ILE A 36 40.352 35.335 21.478 1.00 0.00 C ATOM 566 O ILE A 36 40.159 34.690 20.466 1.00 0.00 O ATOM 567 CB ILE A 36 38.229 36.594 21.857 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.591 37.983 21.833 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.979 35.948 23.216 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.080 37.833 21.870 1.00 0.00 C ATOM 0 H ILE A 36 39.173 37.430 19.705 1.00 0.00 H new ATOM 0 HA ILE A 36 40.185 37.244 22.476 1.00 0.00 H new ATOM 0 HB ILE A 36 37.794 35.974 21.074 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.932 38.569 22.686 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.894 38.521 20.935 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.906 35.849 23.380 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.442 34.962 23.241 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.410 36.571 24.000 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.616 38.819 21.853 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.750 37.262 21.002 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.788 37.310 22.781 1.00 0.00 H new ATOM 582 N PRO A 37 41.090 34.854 22.453 1.00 0.00 N ATOM 583 CA PRO A 37 41.720 33.504 22.366 1.00 0.00 C ATOM 584 C PRO A 37 40.683 32.383 22.597 1.00 0.00 C ATOM 585 O PRO A 37 40.051 32.342 23.634 1.00 0.00 O ATOM 586 CB PRO A 37 42.754 33.525 23.502 1.00 0.00 C ATOM 587 CG PRO A 37 42.179 34.453 24.519 1.00 0.00 C ATOM 588 CD PRO A 37 41.409 35.519 23.732 1.00 0.00 C ATOM 0 HA PRO A 37 42.155 33.305 21.386 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.907 32.529 23.917 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.724 33.876 23.149 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.519 33.921 25.204 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.966 34.906 25.123 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.506 35.829 24.257 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.011 36.414 23.578 1.00 0.00 H new ATOM 596 N PRO A 38 40.498 31.477 21.655 1.00 0.00 N ATOM 597 CA PRO A 38 39.521 30.363 21.805 1.00 0.00 C ATOM 598 C PRO A 38 39.507 29.779 23.221 1.00 0.00 C ATOM 599 O PRO A 38 38.564 29.134 23.631 1.00 0.00 O ATOM 600 CB PRO A 38 40.014 29.339 20.798 1.00 0.00 C ATOM 601 CG PRO A 38 40.532 30.177 19.684 1.00 0.00 C ATOM 602 CD PRO A 38 41.178 31.401 20.348 1.00 0.00 C ATOM 0 HA PRO A 38 38.495 30.688 21.635 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.793 28.703 21.219 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.210 28.681 20.467 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.259 29.627 19.086 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.727 30.476 19.012 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.255 31.275 20.462 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.023 32.306 19.761 1.00 0.00 H new ATOM 610 N ASP A 39 40.554 30.004 23.963 1.00 0.00 N ATOM 611 CA ASP A 39 40.616 29.467 25.349 1.00 0.00 C ATOM 612 C ASP A 39 39.485 30.060 26.187 1.00 0.00 C ATOM 613 O ASP A 39 38.822 29.364 26.931 1.00 0.00 O ATOM 614 CB ASP A 39 41.962 29.833 25.978 1.00 0.00 C ATOM 615 CG ASP A 39 42.059 29.215 27.373 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.657 29.871 28.319 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.533 28.095 27.471 1.00 0.00 O ATOM 0 H ASP A 39 41.371 30.538 23.668 1.00 0.00 H new ATOM 0 HA ASP A 39 40.509 28.383 25.318 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.778 29.473 25.352 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.063 30.916 26.041 1.00 0.00 H new ATOM 622 N GLN A 40 39.267 31.340 26.086 1.00 0.00 N ATOM 623 CA GLN A 40 38.193 31.994 26.884 1.00 0.00 C ATOM 624 C GLN A 40 36.857 31.926 26.140 1.00 0.00 C ATOM 625 O GLN A 40 35.909 32.594 26.502 1.00 0.00 O ATOM 626 CB GLN A 40 38.568 33.461 27.098 1.00 0.00 C ATOM 627 CG GLN A 40 39.907 33.541 27.831 1.00 0.00 C ATOM 628 CD GLN A 40 40.248 35.007 28.115 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.330 35.810 27.208 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.453 35.390 29.345 1.00 0.00 N ATOM 0 H GLN A 40 39.792 31.968 25.478 1.00 0.00 H new ATOM 0 HA GLN A 40 38.092 31.479 27.839 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.635 33.974 26.139 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.794 33.965 27.676 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.856 32.981 28.765 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.692 33.084 27.228 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.384 34.716 30.107 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.682 36.364 29.544 1.00 0.00 H new ATOM 639 N GLN A 41 36.770 31.131 25.100 1.00 0.00 N ATOM 640 CA GLN A 41 35.489 31.025 24.326 1.00 0.00 C ATOM 641 C GLN A 41 35.133 29.555 24.103 1.00 0.00 C ATOM 642 O GLN A 41 35.984 28.730 23.839 1.00 0.00 O ATOM 643 CB GLN A 41 35.655 31.708 22.967 1.00 0.00 C ATOM 644 CG GLN A 41 35.954 33.194 23.169 1.00 0.00 C ATOM 645 CD GLN A 41 35.959 33.897 21.809 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.032 34.610 21.479 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.969 33.724 21.003 1.00 0.00 N ATOM 0 H GLN A 41 37.532 30.549 24.752 1.00 0.00 H new ATOM 0 HA GLN A 41 34.693 31.510 24.891 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.464 31.237 22.409 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.748 31.587 22.375 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.204 33.643 23.821 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.919 33.319 23.660 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.747 33.125 21.281 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.982 34.187 20.094 1.00 0.00 H new ATOM 656 N ARG A 42 33.865 29.235 24.178 1.00 0.00 N ATOM 657 CA ARG A 42 33.405 27.832 23.944 1.00 0.00 C ATOM 658 C ARG A 42 32.209 27.897 22.998 1.00 0.00 C ATOM 659 O ARG A 42 31.276 28.639 23.233 1.00 0.00 O ATOM 660 CB ARG A 42 32.978 27.197 25.274 1.00 0.00 C ATOM 661 CG ARG A 42 34.215 26.885 26.139 1.00 0.00 C ATOM 662 CD ARG A 42 34.782 25.506 25.782 1.00 0.00 C ATOM 663 NE ARG A 42 36.186 25.404 26.275 1.00 0.00 N ATOM 664 CZ ARG A 42 36.966 24.459 25.829 1.00 0.00 C ATOM 665 NH1 ARG A 42 38.196 24.372 26.259 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.520 23.603 24.951 1.00 0.00 N ATOM 0 H ARG A 42 33.119 29.896 24.395 1.00 0.00 H new ATOM 0 HA ARG A 42 34.206 27.230 23.515 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.312 27.873 25.810 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.418 26.281 25.084 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.977 27.649 25.985 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.945 26.912 27.195 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.170 24.722 26.229 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.752 25.357 24.703 1.00 0.00 H new ATOM 0 HE ARG A 42 36.536 26.073 26.961 1.00 0.00 H new ATOM 0 HH11 ARG A 42 38.546 25.043 26.943 1.00 0.00 H new ATOM 0 HH12 ARG A 42 38.807 23.633 25.911 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.560 23.673 24.613 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.131 22.864 24.603 1.00 0.00 H new ATOM 680 N LEU A 43 32.217 27.157 21.924 1.00 0.00 N ATOM 681 CA LEU A 43 31.067 27.227 20.978 1.00 0.00 C ATOM 682 C LEU A 43 29.985 26.227 21.380 1.00 0.00 C ATOM 683 O LEU A 43 30.267 25.156 21.880 1.00 0.00 O ATOM 684 CB LEU A 43 31.549 26.894 19.570 1.00 0.00 C ATOM 685 CG LEU A 43 32.819 27.683 19.246 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.097 27.557 17.755 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.624 29.160 19.594 1.00 0.00 C ATOM 0 H LEU A 43 32.962 26.512 21.661 1.00 0.00 H new ATOM 0 HA LEU A 43 30.652 28.235 21.006 1.00 0.00 H new ATOM 0 HB2 LEU A 43 31.746 25.825 19.488 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.770 27.131 18.845 1.00 0.00 H new ATOM 0 HG LEU A 43 33.652 27.288 19.827 1.00 0.00 H new ATOM 0 HD11 LEU A 43 34.000 28.114 17.505 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.236 26.507 17.498 1.00 0.00 H new ATOM 0 HD13 LEU A 43 32.255 27.960 17.193 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.534 29.712 19.359 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.795 29.564 19.014 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.404 29.257 20.657 1.00 0.00 H new ATOM 699 N ILE A 44 28.749 26.569 21.133 1.00 0.00 N ATOM 700 CA ILE A 44 27.607 25.659 21.458 1.00 0.00 C ATOM 701 C ILE A 44 26.790 25.456 20.183 1.00 0.00 C ATOM 702 O ILE A 44 26.499 26.400 19.467 1.00 0.00 O ATOM 703 CB ILE A 44 26.721 26.299 22.535 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.530 26.510 23.830 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.513 25.394 22.820 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.127 25.187 24.339 1.00 0.00 C ATOM 0 H ILE A 44 28.476 27.457 20.712 1.00 0.00 H new ATOM 0 HA ILE A 44 27.980 24.705 21.832 1.00 0.00 H new ATOM 0 HB ILE A 44 26.370 27.266 22.175 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.331 27.226 23.648 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.886 26.940 24.597 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.887 25.853 23.585 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.933 25.264 21.907 1.00 0.00 H new ATOM 0 HG23 ILE A 44 25.861 24.422 23.170 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.691 25.370 25.253 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.323 24.480 24.544 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.790 24.771 23.580 1.00 0.00 H new ATOM 718 N PHE A 45 26.433 24.234 19.875 1.00 0.00 N ATOM 719 CA PHE A 45 25.653 23.970 18.634 1.00 0.00 C ATOM 720 C PHE A 45 24.708 22.784 18.854 1.00 0.00 C ATOM 721 O PHE A 45 25.131 21.675 19.117 1.00 0.00 O ATOM 722 CB PHE A 45 26.630 23.639 17.499 1.00 0.00 C ATOM 723 CG PHE A 45 25.866 23.157 16.287 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.492 24.062 15.290 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.531 21.804 16.168 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.782 23.616 14.169 1.00 0.00 C ATOM 727 CE2 PHE A 45 24.823 21.356 15.047 1.00 0.00 C ATOM 728 CZ PHE A 45 24.447 22.262 14.046 1.00 0.00 C ATOM 0 H PHE A 45 26.650 23.408 20.433 1.00 0.00 H new ATOM 0 HA PHE A 45 25.064 24.850 18.377 1.00 0.00 H new ATOM 0 HB2 PHE A 45 27.216 24.522 17.243 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.333 22.873 17.825 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.751 25.106 15.384 1.00 0.00 H new ATOM 0 HD2 PHE A 45 25.818 21.106 16.940 1.00 0.00 H new ATOM 0 HE1 PHE A 45 24.493 24.316 13.399 1.00 0.00 H new ATOM 0 HE2 PHE A 45 24.566 20.311 14.953 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.900 21.916 13.181 1.00 0.00 H new ATOM 738 N ALA A 46 23.431 23.009 18.724 1.00 0.00 N ATOM 739 CA ALA A 46 22.444 21.906 18.890 1.00 0.00 C ATOM 740 C ALA A 46 22.654 21.162 20.214 1.00 0.00 C ATOM 741 O ALA A 46 22.223 20.037 20.366 1.00 0.00 O ATOM 742 CB ALA A 46 22.602 20.916 17.736 1.00 0.00 C ATOM 0 H ALA A 46 23.025 23.919 18.508 1.00 0.00 H new ATOM 0 HA ALA A 46 21.444 22.340 18.893 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.882 20.105 17.851 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.424 21.428 16.790 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.613 20.508 17.743 1.00 0.00 H new ATOM 748 N GLY A 47 23.299 21.763 21.183 1.00 0.00 N ATOM 749 CA GLY A 47 23.505 21.058 22.488 1.00 0.00 C ATOM 750 C GLY A 47 24.854 20.335 22.485 1.00 0.00 C ATOM 751 O GLY A 47 25.227 19.704 23.454 1.00 0.00 O ATOM 0 H GLY A 47 23.689 22.704 21.129 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.469 21.775 23.308 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.700 20.342 22.655 1.00 0.00 H new ATOM 755 N LYS A 48 25.592 20.430 21.405 1.00 0.00 N ATOM 756 CA LYS A 48 26.928 19.759 21.325 1.00 0.00 C ATOM 757 C LYS A 48 27.977 20.793 20.922 1.00 0.00 C ATOM 758 O LYS A 48 27.680 21.753 20.241 1.00 0.00 O ATOM 759 CB LYS A 48 26.880 18.655 20.275 1.00 0.00 C ATOM 760 CG LYS A 48 25.768 17.664 20.624 1.00 0.00 C ATOM 761 CD LYS A 48 25.515 16.730 19.436 1.00 0.00 C ATOM 762 CE LYS A 48 26.714 15.799 19.234 1.00 0.00 C ATOM 763 NZ LYS A 48 26.329 14.683 18.324 1.00 0.00 N ATOM 0 H LYS A 48 25.323 20.948 20.568 1.00 0.00 H new ATOM 0 HA LYS A 48 27.183 19.327 22.293 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.702 19.084 19.289 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.839 18.140 20.230 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.049 17.083 21.502 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.854 18.202 20.876 1.00 0.00 H new ATOM 0 HD2 LYS A 48 24.614 16.142 19.611 1.00 0.00 H new ATOM 0 HD3 LYS A 48 25.343 17.316 18.533 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.552 16.354 18.812 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.046 15.402 20.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 27.143 14.051 18.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 25.542 14.148 18.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.033 15.071 17.405 1.00 0.00 H new ATOM 777 N GLN A 49 29.206 20.610 21.329 1.00 0.00 N ATOM 778 CA GLN A 49 30.269 21.583 20.963 1.00 0.00 C ATOM 779 C GLN A 49 30.940 21.136 19.664 1.00 0.00 C ATOM 780 O GLN A 49 30.765 20.019 19.220 1.00 0.00 O ATOM 781 CB GLN A 49 31.306 21.643 22.075 1.00 0.00 C ATOM 782 CG GLN A 49 30.601 21.790 23.426 1.00 0.00 C ATOM 783 CD GLN A 49 31.645 21.884 24.538 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.382 22.847 24.616 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.741 20.918 25.410 1.00 0.00 N ATOM 0 H GLN A 49 29.517 19.825 21.901 1.00 0.00 H new ATOM 0 HA GLN A 49 29.828 22.570 20.825 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.915 20.739 22.067 1.00 0.00 H new ATOM 0 HB3 GLN A 49 31.981 22.483 21.912 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.973 22.681 23.426 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.944 20.938 23.600 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.123 20.109 25.345 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.434 20.972 26.156 1.00 0.00 H new ATOM 794 N LEU A 50 31.714 21.995 19.053 1.00 0.00 N ATOM 795 CA LEU A 50 32.408 21.618 17.783 1.00 0.00 C ATOM 796 C LEU A 50 33.845 21.209 18.108 1.00 0.00 C ATOM 797 O LEU A 50 34.558 21.913 18.795 1.00 0.00 O ATOM 798 CB LEU A 50 32.424 22.821 16.835 1.00 0.00 C ATOM 799 CG LEU A 50 31.020 23.430 16.747 1.00 0.00 C ATOM 800 CD1 LEU A 50 31.052 24.651 15.824 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.039 22.390 16.188 1.00 0.00 C ATOM 0 H LEU A 50 31.897 22.944 19.379 1.00 0.00 H new ATOM 0 HA LEU A 50 31.885 20.789 17.306 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.133 23.568 17.192 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.759 22.511 15.845 1.00 0.00 H new ATOM 0 HG LEU A 50 30.694 23.733 17.742 1.00 0.00 H new ATOM 0 HD11 LEU A 50 30.054 25.085 15.760 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.745 25.391 16.224 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.379 24.347 14.830 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.042 22.826 16.127 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.362 22.083 15.193 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.015 21.522 16.846 1.00 0.00 H new ATOM 813 N GLU A 51 34.276 20.073 17.628 1.00 0.00 N ATOM 814 CA GLU A 51 35.668 19.614 17.916 1.00 0.00 C ATOM 815 C GLU A 51 36.599 20.062 16.790 1.00 0.00 C ATOM 816 O GLU A 51 36.217 20.116 15.638 1.00 0.00 O ATOM 817 CB GLU A 51 35.689 18.087 18.016 1.00 0.00 C ATOM 818 CG GLU A 51 34.758 17.638 19.143 1.00 0.00 C ATOM 819 CD GLU A 51 34.891 16.128 19.346 1.00 0.00 C ATOM 820 OE1 GLU A 51 35.708 15.528 18.666 1.00 0.00 O ATOM 821 OE2 GLU A 51 34.175 15.597 20.179 1.00 0.00 O ATOM 0 H GLU A 51 33.724 19.441 17.048 1.00 0.00 H new ATOM 0 HA GLU A 51 36.005 20.047 18.858 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.373 17.645 17.071 1.00 0.00 H new ATOM 0 HB3 GLU A 51 36.704 17.738 18.207 1.00 0.00 H new ATOM 0 HG2 GLU A 51 35.007 18.163 20.065 1.00 0.00 H new ATOM 0 HG3 GLU A 51 33.727 17.893 18.900 1.00 0.00 H new ATOM 828 N ASP A 52 37.822 20.383 17.113 1.00 0.00 N ATOM 829 CA ASP A 52 38.779 20.830 16.064 1.00 0.00 C ATOM 830 C ASP A 52 38.928 19.731 15.012 1.00 0.00 C ATOM 831 O ASP A 52 38.810 18.557 15.303 1.00 0.00 O ATOM 832 CB ASP A 52 40.139 21.116 16.702 1.00 0.00 C ATOM 833 CG ASP A 52 40.061 22.406 17.520 1.00 0.00 C ATOM 834 OD1 ASP A 52 39.079 23.114 17.378 1.00 0.00 O ATOM 835 OD2 ASP A 52 40.984 22.662 18.275 1.00 0.00 O ATOM 0 H ASP A 52 38.199 20.355 18.060 1.00 0.00 H new ATOM 0 HA ASP A 52 38.404 21.738 15.591 1.00 0.00 H new ATOM 0 HB2 ASP A 52 40.434 20.285 17.342 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.902 21.209 15.929 1.00 0.00 H new ATOM 840 N GLY A 53 39.190 20.102 13.786 1.00 0.00 N ATOM 841 CA GLY A 53 39.349 19.081 12.708 1.00 0.00 C ATOM 842 C GLY A 53 37.986 18.777 12.081 1.00 0.00 C ATOM 843 O GLY A 53 36.975 19.309 12.491 1.00 0.00 O ATOM 0 H GLY A 53 39.301 21.070 13.484 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.037 19.447 11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 53 39.783 18.169 13.118 1.00 0.00 H new ATOM 847 N ARG A 54 37.961 17.917 11.098 1.00 0.00 N ATOM 848 CA ARG A 54 36.672 17.556 10.434 1.00 0.00 C ATOM 849 C ARG A 54 35.949 18.819 9.953 1.00 0.00 C ATOM 850 O ARG A 54 36.254 19.925 10.366 1.00 0.00 O ATOM 851 CB ARG A 54 35.783 16.791 11.420 1.00 0.00 C ATOM 852 CG ARG A 54 36.320 15.368 11.589 1.00 0.00 C ATOM 853 CD ARG A 54 35.558 14.660 12.712 1.00 0.00 C ATOM 854 NE ARG A 54 35.998 15.202 14.029 1.00 0.00 N ATOM 855 CZ ARG A 54 35.562 14.662 15.134 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.946 15.135 16.287 1.00 0.00 N ATOM 857 NH2 ARG A 54 34.745 13.646 15.087 1.00 0.00 N ATOM 0 H ARG A 54 38.784 17.445 10.723 1.00 0.00 H new ATOM 0 HA ARG A 54 36.883 16.925 9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 54 35.765 17.302 12.383 1.00 0.00 H new ATOM 0 HB3 ARG A 54 34.756 16.763 11.055 1.00 0.00 H new ATOM 0 HG2 ARG A 54 36.210 14.814 10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.385 15.396 11.820 1.00 0.00 H new ATOM 0 HD2 ARG A 54 34.485 14.806 12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 54 35.740 13.586 12.669 1.00 0.00 H new ATOM 0 HE ARG A 54 36.639 15.994 14.066 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.587 15.927 16.325 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.605 14.713 17.151 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.446 13.273 14.186 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.405 13.225 15.951 1.00 0.00 H new ATOM 871 N THR A 55 34.985 18.659 9.076 1.00 0.00 N ATOM 872 CA THR A 55 34.216 19.828 8.546 1.00 0.00 C ATOM 873 C THR A 55 32.736 19.655 8.882 1.00 0.00 C ATOM 874 O THR A 55 32.303 18.601 9.306 1.00 0.00 O ATOM 875 CB THR A 55 34.387 19.897 7.026 1.00 0.00 C ATOM 876 OG1 THR A 55 33.908 18.695 6.442 1.00 0.00 O ATOM 877 CG2 THR A 55 35.865 20.080 6.684 1.00 0.00 C ATOM 0 H THR A 55 34.696 17.755 8.701 1.00 0.00 H new ATOM 0 HA THR A 55 34.587 20.747 8.999 1.00 0.00 H new ATOM 0 HB THR A 55 33.820 20.742 6.635 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.015 18.739 5.469 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.985 20.129 5.602 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.230 21.004 7.132 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.436 19.238 7.074 1.00 0.00 H new ATOM 885 N LEU A 56 31.955 20.682 8.694 1.00 0.00 N ATOM 886 CA LEU A 56 30.502 20.586 9.000 1.00 0.00 C ATOM 887 C LEU A 56 29.873 19.481 8.146 1.00 0.00 C ATOM 888 O LEU A 56 29.078 18.690 8.619 1.00 0.00 O ATOM 889 CB LEU A 56 29.839 21.932 8.681 1.00 0.00 C ATOM 890 CG LEU A 56 30.351 23.012 9.661 1.00 0.00 C ATOM 891 CD1 LEU A 56 30.259 24.398 9.009 1.00 0.00 C ATOM 892 CD2 LEU A 56 29.504 22.999 10.944 1.00 0.00 C ATOM 0 H LEU A 56 32.263 21.588 8.340 1.00 0.00 H new ATOM 0 HA LEU A 56 30.357 20.347 10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.062 22.224 7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.756 21.842 8.758 1.00 0.00 H new ATOM 0 HG LEU A 56 31.390 22.796 9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 56 30.622 25.153 9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 56 30.868 24.416 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 56 29.221 24.611 8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 56 29.871 23.763 11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.463 23.205 10.695 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.577 22.020 11.418 1.00 0.00 H new ATOM 904 N SER A 57 30.240 19.400 6.895 1.00 0.00 N ATOM 905 CA SER A 57 29.675 18.328 6.033 1.00 0.00 C ATOM 906 C SER A 57 30.190 16.983 6.542 1.00 0.00 C ATOM 907 O SER A 57 29.453 16.026 6.675 1.00 0.00 O ATOM 908 CB SER A 57 30.124 18.536 4.587 1.00 0.00 C ATOM 909 OG SER A 57 29.581 19.756 4.098 1.00 0.00 O ATOM 0 H SER A 57 30.902 20.026 6.437 1.00 0.00 H new ATOM 0 HA SER A 57 28.586 18.353 6.069 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.212 18.561 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.792 17.703 3.968 1.00 0.00 H new ATOM 0 HG SER A 57 29.868 19.894 3.171 1.00 0.00 H new ATOM 915 N ASP A 58 31.460 16.914 6.825 1.00 0.00 N ATOM 916 CA ASP A 58 32.050 15.642 7.325 1.00 0.00 C ATOM 917 C ASP A 58 31.281 15.166 8.559 1.00 0.00 C ATOM 918 O ASP A 58 31.125 13.980 8.777 1.00 0.00 O ATOM 919 CB ASP A 58 33.514 15.867 7.700 1.00 0.00 C ATOM 920 CG ASP A 58 34.194 14.516 7.933 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.486 13.526 8.020 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.411 14.495 8.020 1.00 0.00 O ATOM 0 H ASP A 58 32.118 17.688 6.731 1.00 0.00 H new ATOM 0 HA ASP A 58 31.985 14.887 6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.025 16.411 6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.580 16.480 8.599 1.00 0.00 H new ATOM 927 N TYR A 59 30.803 16.067 9.379 1.00 0.00 N ATOM 928 CA TYR A 59 30.057 15.622 10.590 1.00 0.00 C ATOM 929 C TYR A 59 28.677 15.105 10.174 1.00 0.00 C ATOM 930 O TYR A 59 28.044 14.367 10.898 1.00 0.00 O ATOM 931 CB TYR A 59 29.888 16.804 11.558 1.00 0.00 C ATOM 932 CG TYR A 59 31.164 17.014 12.347 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.904 18.195 12.193 1.00 0.00 C ATOM 934 CD2 TYR A 59 31.603 16.027 13.238 1.00 0.00 C ATOM 935 CE1 TYR A 59 33.080 18.386 12.928 1.00 0.00 C ATOM 936 CE2 TYR A 59 32.779 16.219 13.973 1.00 0.00 C ATOM 937 CZ TYR A 59 33.517 17.398 13.818 1.00 0.00 C ATOM 938 OH TYR A 59 34.677 17.587 14.543 1.00 0.00 O ATOM 0 H TYR A 59 30.896 17.076 9.264 1.00 0.00 H new ATOM 0 HA TYR A 59 30.614 14.826 11.085 1.00 0.00 H new ATOM 0 HB2 TYR A 59 29.642 17.708 11.001 1.00 0.00 H new ATOM 0 HB3 TYR A 59 29.058 16.612 12.238 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.566 18.958 11.507 1.00 0.00 H new ATOM 0 HD2 TYR A 59 31.034 15.117 13.358 1.00 0.00 H new ATOM 0 HE1 TYR A 59 33.650 19.296 12.808 1.00 0.00 H new ATOM 0 HE2 TYR A 59 33.117 15.457 14.660 1.00 0.00 H new ATOM 0 HH TYR A 59 34.824 18.546 14.680 1.00 0.00 H new ATOM 948 N ASN A 60 28.200 15.495 9.020 1.00 0.00 N ATOM 949 CA ASN A 60 26.856 15.030 8.568 1.00 0.00 C ATOM 950 C ASN A 60 25.787 15.550 9.533 1.00 0.00 C ATOM 951 O ASN A 60 24.889 14.832 9.928 1.00 0.00 O ATOM 952 CB ASN A 60 26.821 13.494 8.526 1.00 0.00 C ATOM 953 CG ASN A 60 25.681 13.027 7.616 1.00 0.00 C ATOM 954 OD1 ASN A 60 25.396 13.649 6.611 1.00 0.00 O ATOM 955 ND2 ASN A 60 25.012 11.950 7.928 1.00 0.00 N ATOM 0 H ASN A 60 28.684 16.116 8.371 1.00 0.00 H new ATOM 0 HA ASN A 60 26.658 15.415 7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 60 27.773 13.109 8.159 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.683 13.096 9.531 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.251 11.631 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 60 25.251 11.428 8.771 1.00 0.00 H new ATOM 962 N ILE A 61 25.879 16.796 9.912 1.00 0.00 N ATOM 963 CA ILE A 61 24.870 17.372 10.848 1.00 0.00 C ATOM 964 C ILE A 61 23.545 17.572 10.108 1.00 0.00 C ATOM 965 O ILE A 61 23.519 17.797 8.914 1.00 0.00 O ATOM 966 CB ILE A 61 25.371 18.719 11.385 1.00 0.00 C ATOM 967 CG1 ILE A 61 25.731 19.646 10.217 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.612 18.492 12.249 1.00 0.00 C ATOM 969 CD1 ILE A 61 26.024 21.049 10.755 1.00 0.00 C ATOM 0 H ILE A 61 26.610 17.441 9.614 1.00 0.00 H new ATOM 0 HA ILE A 61 24.719 16.688 11.683 1.00 0.00 H new ATOM 0 HB ILE A 61 24.584 19.180 11.982 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.600 19.259 9.686 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.910 19.683 9.501 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.969 19.448 12.631 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.359 17.839 13.084 1.00 0.00 H new ATOM 0 HG23 ILE A 61 27.393 18.027 11.648 1.00 0.00 H new ATOM 0 HD11 ILE A 61 26.280 21.710 9.927 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.142 21.434 11.267 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.859 21.003 11.455 1.00 0.00 H new ATOM 981 N GLN A 62 22.441 17.489 10.806 1.00 0.00 N ATOM 982 CA GLN A 62 21.117 17.673 10.136 1.00 0.00 C ATOM 983 C GLN A 62 20.113 18.269 11.129 1.00 0.00 C ATOM 984 O GLN A 62 19.185 17.609 11.554 1.00 0.00 O ATOM 985 CB GLN A 62 20.606 16.316 9.643 1.00 0.00 C ATOM 986 CG GLN A 62 20.834 15.257 10.724 1.00 0.00 C ATOM 987 CD GLN A 62 20.241 13.924 10.265 1.00 0.00 C ATOM 988 OE1 GLN A 62 19.125 13.875 9.788 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.946 12.832 10.391 1.00 0.00 N ATOM 0 H GLN A 62 22.398 17.302 11.808 1.00 0.00 H new ATOM 0 HA GLN A 62 21.230 18.351 9.290 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.545 16.381 9.402 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.124 16.032 8.727 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.901 15.145 10.919 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.370 15.571 11.659 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.883 12.873 10.792 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.560 11.938 10.089 1.00 0.00 H new ATOM 998 N LYS A 63 20.289 19.516 11.493 1.00 0.00 N ATOM 999 CA LYS A 63 19.347 20.177 12.454 1.00 0.00 C ATOM 1000 C LYS A 63 18.490 21.199 11.702 1.00 0.00 C ATOM 1001 O LYS A 63 17.362 21.464 12.066 1.00 0.00 O ATOM 1002 CB LYS A 63 20.148 20.897 13.542 1.00 0.00 C ATOM 1003 CG LYS A 63 19.186 21.611 14.498 1.00 0.00 C ATOM 1004 CD LYS A 63 19.967 22.169 15.688 1.00 0.00 C ATOM 1005 CE LYS A 63 19.050 23.060 16.528 1.00 0.00 C ATOM 1006 NZ LYS A 63 19.817 23.626 17.673 1.00 0.00 N ATOM 0 H LYS A 63 21.050 20.110 11.164 1.00 0.00 H new ATOM 0 HA LYS A 63 18.706 19.422 12.910 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.759 20.181 14.092 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.830 21.618 13.090 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.672 22.418 13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.421 20.917 14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.355 21.352 16.297 1.00 0.00 H new ATOM 0 HD3 LYS A 63 20.826 22.741 15.337 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.646 23.865 15.914 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.202 22.483 16.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.541 24.618 17.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.611 23.079 18.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.835 23.577 17.467 1.00 0.00 H new ATOM 1020 N GLU A 64 19.017 21.773 10.655 1.00 0.00 N ATOM 1021 CA GLU A 64 18.236 22.780 9.881 1.00 0.00 C ATOM 1022 C GLU A 64 19.003 23.148 8.611 1.00 0.00 C ATOM 1023 O GLU A 64 20.214 23.050 8.556 1.00 0.00 O ATOM 1024 CB GLU A 64 18.033 24.035 10.735 1.00 0.00 C ATOM 1025 CG GLU A 64 17.181 25.047 9.963 1.00 0.00 C ATOM 1026 CD GLU A 64 16.888 26.252 10.858 1.00 0.00 C ATOM 1027 OE1 GLU A 64 17.349 26.255 11.987 1.00 0.00 O ATOM 1028 OE2 GLU A 64 16.206 27.152 10.399 1.00 0.00 O ATOM 0 H GLU A 64 19.956 21.588 10.302 1.00 0.00 H new ATOM 0 HA GLU A 64 17.266 22.362 9.614 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.545 23.774 11.674 1.00 0.00 H new ATOM 0 HB3 GLU A 64 18.997 24.475 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.705 25.368 9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.248 24.584 9.641 1.00 0.00 H new HETATM 1035 N SEP A 65 18.313 23.576 7.589 1.00 0.00 N HETATM 1036 CA SEP A 65 19.009 23.955 6.326 1.00 0.00 C HETATM 1037 CB SEP A 65 18.027 24.671 5.398 1.00 0.00 C HETATM 1038 OG SEP A 65 18.755 25.400 4.418 1.00 0.00 O HETATM 1039 C SEP A 65 20.179 24.886 6.647 1.00 0.00 C HETATM 1040 O SEP A 65 21.317 24.600 6.331 1.00 0.00 O HETATM 1041 P SEP A 65 18.006 26.162 3.314 1.00 0.00 P HETATM 1042 O1P SEP A 65 16.549 25.585 3.328 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.080 27.670 3.729 1.00 0.00 O HETATM 1044 O3P SEP A 65 18.785 25.843 1.992 1.00 0.00 O HETATM 0 HB3 SEP A 65 17.370 23.947 4.916 1.00 0.00 H new HETATM 0 HB2 SEP A 65 17.392 25.345 5.972 1.00 0.00 H new HETATM 0 HA SEP A 65 19.384 23.057 5.835 1.00 0.00 H new HETATM 0 H SEP A 65 17.327 23.806 7.717 1.00 0.00 H new HETATM 1049 N TPO A 66 19.909 26.000 7.272 1.00 0.00 N HETATM 1050 CA TPO A 66 21.006 26.950 7.615 1.00 0.00 C HETATM 1051 CB TPO A 66 20.420 28.347 7.835 1.00 0.00 C HETATM 1052 CG2 TPO A 66 19.668 28.791 6.579 1.00 0.00 C HETATM 1053 OG1 TPO A 66 19.525 28.314 8.938 1.00 0.00 O HETATM 1054 P TPO A 66 18.692 29.556 9.290 1.00 0.00 P HETATM 1055 O1P TPO A 66 17.408 29.460 8.397 1.00 0.00 O HETATM 1056 O2P TPO A 66 19.603 30.781 8.934 1.00 0.00 O HETATM 1057 O3P TPO A 66 18.392 29.433 10.822 1.00 0.00 O HETATM 1058 C TPO A 66 21.704 26.485 8.896 1.00 0.00 C HETATM 1059 O TPO A 66 21.075 25.994 9.812 1.00 0.00 O HETATM 0 HG23 TPO A 66 20.355 28.816 5.733 1.00 0.00 H new HETATM 0 HG22 TPO A 66 18.861 28.088 6.371 1.00 0.00 H new HETATM 0 HG21 TPO A 66 19.251 29.786 6.737 1.00 0.00 H new HETATM 0 HB TPO A 66 21.226 29.051 8.041 1.00 0.00 H new HETATM 0 HA TPO A 66 21.727 26.981 6.798 1.00 0.00 H new HETATM 0 H TPO A 66 18.946 26.331 7.218 1.00 0.00 H new ATOM 1066 N LEU A 67 23.000 26.637 8.967 1.00 0.00 N ATOM 1067 CA LEU A 67 23.743 26.206 10.189 1.00 0.00 C ATOM 1068 C LEU A 67 23.842 27.383 11.164 1.00 0.00 C ATOM 1069 O LEU A 67 24.399 28.416 10.848 1.00 0.00 O ATOM 1070 CB LEU A 67 25.151 25.754 9.796 1.00 0.00 C ATOM 1071 CG LEU A 67 25.077 24.818 8.586 1.00 0.00 C ATOM 1072 CD1 LEU A 67 26.488 24.366 8.208 1.00 0.00 C ATOM 1073 CD2 LEU A 67 24.220 23.595 8.931 1.00 0.00 C ATOM 0 H LEU A 67 23.578 27.042 8.230 1.00 0.00 H new ATOM 0 HA LEU A 67 23.214 25.380 10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.768 26.621 9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.626 25.243 10.634 1.00 0.00 H new ATOM 0 HG LEU A 67 24.626 25.346 7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.438 23.700 7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.094 25.237 7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.939 23.839 9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.169 22.931 8.068 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.666 23.064 9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.214 23.919 9.199 1.00 0.00 H new ATOM 1085 N HIS A 68 23.303 27.230 12.350 1.00 0.00 N ATOM 1086 CA HIS A 68 23.357 28.334 13.361 1.00 0.00 C ATOM 1087 C HIS A 68 24.394 27.993 14.435 1.00 0.00 C ATOM 1088 O HIS A 68 24.345 26.944 15.046 1.00 0.00 O ATOM 1089 CB HIS A 68 21.982 28.483 14.016 1.00 0.00 C ATOM 1090 CG HIS A 68 21.467 27.128 14.410 1.00 0.00 C ATOM 1091 ND1 HIS A 68 20.916 26.250 13.487 1.00 0.00 N ATOM 1092 CD2 HIS A 68 21.413 26.482 15.621 1.00 0.00 C ATOM 1093 CE1 HIS A 68 20.559 25.135 14.151 1.00 0.00 C ATOM 1094 NE2 HIS A 68 20.840 25.228 15.452 1.00 0.00 N ATOM 0 H HIS A 68 22.826 26.384 12.663 1.00 0.00 H new ATOM 0 HA HIS A 68 23.635 29.266 12.870 1.00 0.00 H new ATOM 0 HB2 HIS A 68 22.053 29.126 14.893 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.288 28.961 13.325 1.00 0.00 H new ATOM 0 HD1 HIS A 68 20.802 26.419 12.488 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.762 26.887 16.560 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.102 24.273 13.688 1.00 0.00 H new ATOM 1103 N LEU A 69 25.315 28.888 14.680 1.00 0.00 N ATOM 1104 CA LEU A 69 26.364 28.661 15.729 1.00 0.00 C ATOM 1105 C LEU A 69 26.301 29.839 16.706 1.00 0.00 C ATOM 1106 O LEU A 69 25.974 30.942 16.317 1.00 0.00 O ATOM 1107 CB LEU A 69 27.759 28.623 15.070 1.00 0.00 C ATOM 1108 CG LEU A 69 28.080 27.214 14.535 1.00 0.00 C ATOM 1109 CD1 LEU A 69 27.241 26.895 13.281 1.00 0.00 C ATOM 1110 CD2 LEU A 69 29.571 27.151 14.183 1.00 0.00 C ATOM 0 H LEU A 69 25.389 29.781 14.193 1.00 0.00 H new ATOM 0 HA LEU A 69 26.191 27.716 16.244 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.799 29.344 14.253 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.516 28.921 15.795 1.00 0.00 H new ATOM 0 HG LEU A 69 27.837 26.479 15.302 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.487 25.895 12.924 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.181 26.941 13.531 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.461 27.624 12.501 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.813 26.159 13.803 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.797 27.897 13.421 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.164 27.353 15.075 1.00 0.00 H new ATOM 1122 N VAL A 70 26.607 29.633 17.969 1.00 0.00 N ATOM 1123 CA VAL A 70 26.553 30.771 18.946 1.00 0.00 C ATOM 1124 C VAL A 70 27.775 30.706 19.870 1.00 0.00 C ATOM 1125 O VAL A 70 28.053 29.695 20.485 1.00 0.00 O ATOM 1126 CB VAL A 70 25.267 30.664 19.777 1.00 0.00 C ATOM 1127 CG1 VAL A 70 24.087 31.227 18.978 1.00 0.00 C ATOM 1128 CG2 VAL A 70 24.995 29.193 20.107 1.00 0.00 C ATOM 0 H VAL A 70 26.889 28.735 18.362 1.00 0.00 H new ATOM 0 HA VAL A 70 26.558 31.719 18.409 1.00 0.00 H new ATOM 0 HB VAL A 70 25.386 31.233 20.699 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.176 31.149 19.571 1.00 0.00 H new ATOM 0 HG12 VAL A 70 24.276 32.273 18.739 1.00 0.00 H new ATOM 0 HG13 VAL A 70 23.969 30.659 18.055 1.00 0.00 H new ATOM 0 HG21 VAL A 70 24.082 29.115 20.697 1.00 0.00 H new ATOM 0 HG22 VAL A 70 24.878 28.628 19.182 1.00 0.00 H new ATOM 0 HG23 VAL A 70 25.831 28.787 20.677 1.00 0.00 H new ATOM 1138 N LEU A 71 28.516 31.779 19.958 1.00 0.00 N ATOM 1139 CA LEU A 71 29.732 31.789 20.824 1.00 0.00 C ATOM 1140 C LEU A 71 29.327 32.037 22.280 1.00 0.00 C ATOM 1141 O LEU A 71 28.421 32.797 22.557 1.00 0.00 O ATOM 1142 CB LEU A 71 30.664 32.921 20.368 1.00 0.00 C ATOM 1143 CG LEU A 71 31.429 32.502 19.109 1.00 0.00 C ATOM 1144 CD1 LEU A 71 30.456 31.965 18.058 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.170 33.716 18.537 1.00 0.00 C ATOM 0 H LEU A 71 28.331 32.653 19.465 1.00 0.00 H new ATOM 0 HA LEU A 71 30.240 30.828 20.745 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.083 33.821 20.167 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.367 33.166 21.164 1.00 0.00 H new ATOM 0 HG LEU A 71 32.143 31.720 19.370 1.00 0.00 H new ATOM 0 HD11 LEU A 71 31.010 31.670 17.167 1.00 0.00 H new ATOM 0 HD12 LEU A 71 29.927 31.101 18.460 1.00 0.00 H new ATOM 0 HD13 LEU A 71 29.737 32.741 17.798 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.715 33.420 17.641 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.451 34.495 18.284 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.871 34.097 19.279 1.00 0.00 H new ATOM 1157 N ARG A 72 30.005 31.412 23.214 1.00 0.00 N ATOM 1158 CA ARG A 72 29.690 31.606 24.663 1.00 0.00 C ATOM 1159 C ARG A 72 30.928 32.189 25.351 1.00 0.00 C ATOM 1160 O ARG A 72 32.018 32.142 24.816 1.00 0.00 O ATOM 1161 CB ARG A 72 29.349 30.251 25.292 1.00 0.00 C ATOM 1162 CG ARG A 72 28.685 30.468 26.654 1.00 0.00 C ATOM 1163 CD ARG A 72 28.248 29.120 27.228 1.00 0.00 C ATOM 1164 NE ARG A 72 27.509 29.339 28.503 1.00 0.00 N ATOM 1165 CZ ARG A 72 26.975 28.326 29.130 1.00 0.00 C ATOM 1166 NH1 ARG A 72 26.327 28.517 30.247 1.00 0.00 N ATOM 1167 NH2 ARG A 72 27.088 27.121 28.640 1.00 0.00 N ATOM 0 H ARG A 72 30.773 30.767 23.029 1.00 0.00 H new ATOM 0 HA ARG A 72 28.842 32.281 24.779 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.682 29.692 24.636 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.254 29.655 25.409 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.380 30.957 27.336 1.00 0.00 H new ATOM 0 HG3 ARG A 72 27.823 31.128 26.550 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.613 28.597 26.513 1.00 0.00 H new ATOM 0 HD3 ARG A 72 29.119 28.488 27.404 1.00 0.00 H new ATOM 0 HE ARG A 72 27.420 30.280 28.886 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.238 29.458 30.630 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.910 27.725 30.736 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.594 26.971 27.767 1.00 0.00 H new ATOM 0 HH22 ARG A 72 26.671 26.330 29.130 1.00 0.00 H new ATOM 1181 N LEU A 73 30.778 32.738 26.529 1.00 0.00 N ATOM 1182 CA LEU A 73 31.956 33.324 27.242 1.00 0.00 C ATOM 1183 C LEU A 73 32.540 32.287 28.208 1.00 0.00 C ATOM 1184 O LEU A 73 31.883 31.338 28.587 1.00 0.00 O ATOM 1185 CB LEU A 73 31.498 34.567 28.026 1.00 0.00 C ATOM 1186 CG LEU A 73 32.702 35.490 28.327 1.00 0.00 C ATOM 1187 CD1 LEU A 73 32.947 36.439 27.146 1.00 0.00 C ATOM 1188 CD2 LEU A 73 32.415 36.322 29.582 1.00 0.00 C ATOM 0 H LEU A 73 29.892 32.807 27.029 1.00 0.00 H new ATOM 0 HA LEU A 73 32.722 33.608 26.520 1.00 0.00 H new ATOM 0 HB2 LEU A 73 30.749 35.112 27.451 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.024 34.262 28.959 1.00 0.00 H new ATOM 0 HG LEU A 73 33.585 34.872 28.486 1.00 0.00 H new ATOM 0 HD11 LEU A 73 33.797 37.085 27.368 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.158 35.857 26.249 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.060 37.051 26.981 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.266 36.971 29.791 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.525 36.931 29.419 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.250 35.657 30.430 1.00 0.00 H new ATOM 1200 N ARG A 74 33.770 32.469 28.615 1.00 0.00 N ATOM 1201 CA ARG A 74 34.398 31.503 29.565 1.00 0.00 C ATOM 1202 C ARG A 74 35.465 32.227 30.390 1.00 0.00 C ATOM 1203 O ARG A 74 36.397 32.795 29.856 1.00 0.00 O ATOM 1204 CB ARG A 74 35.053 30.363 28.784 1.00 0.00 C ATOM 1205 CG ARG A 74 35.462 29.252 29.755 1.00 0.00 C ATOM 1206 CD ARG A 74 36.348 28.235 29.033 1.00 0.00 C ATOM 1207 NE ARG A 74 36.660 27.107 29.955 1.00 0.00 N ATOM 1208 CZ ARG A 74 37.507 26.183 29.592 1.00 0.00 C ATOM 1209 NH1 ARG A 74 37.780 25.196 30.401 1.00 0.00 N ATOM 1210 NH2 ARG A 74 38.077 26.243 28.420 1.00 0.00 N ATOM 0 H ARG A 74 34.367 33.246 28.330 1.00 0.00 H new ATOM 0 HA ARG A 74 33.632 31.096 30.226 1.00 0.00 H new ATOM 0 HB2 ARG A 74 34.360 29.973 28.038 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.927 30.731 28.246 1.00 0.00 H new ATOM 0 HG2 ARG A 74 35.997 29.677 30.604 1.00 0.00 H new ATOM 0 HG3 ARG A 74 34.575 28.758 30.152 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.841 27.862 28.143 1.00 0.00 H new ATOM 0 HD3 ARG A 74 37.270 28.712 28.699 1.00 0.00 H new ATOM 0 HE ARG A 74 36.212 27.057 30.870 1.00 0.00 H new ATOM 0 HH11 ARG A 74 37.331 25.147 31.316 1.00 0.00 H new ATOM 0 HH12 ARG A 74 38.442 24.473 30.118 1.00 0.00 H new ATOM 0 HH21 ARG A 74 37.861 27.013 27.787 1.00 0.00 H new ATOM 0 HH22 ARG A 74 38.739 25.520 28.137 1.00 0.00 H new ATOM 1224 N GLY A 75 35.335 32.212 31.689 1.00 0.00 N ATOM 1225 CA GLY A 75 36.342 32.898 32.554 1.00 0.00 C ATOM 1226 C GLY A 75 35.661 33.393 33.831 1.00 0.00 C ATOM 1227 O GLY A 75 34.986 34.402 33.835 1.00 0.00 O ATOM 0 H GLY A 75 34.574 31.754 32.191 1.00 0.00 H new ATOM 0 HA2 GLY A 75 37.152 32.212 32.803 1.00 0.00 H new ATOM 0 HA3 GLY A 75 36.788 33.736 32.018 1.00 0.00 H new ATOM 1231 N GLY A 76 35.835 32.692 34.917 1.00 0.00 N ATOM 1232 CA GLY A 76 35.198 33.123 36.195 1.00 0.00 C ATOM 1233 C GLY A 76 33.719 33.431 35.952 1.00 0.00 C ATOM 1234 O GLY A 76 33.217 34.354 36.570 1.00 0.00 O ATOM 1235 OXT GLY A 76 33.115 32.735 35.152 1.00 0.00 O ATOM 0 H GLY A 76 36.391 31.839 34.976 1.00 0.00 H new ATOM 0 HA2 GLY A 76 35.298 32.339 36.946 1.00 0.00 H new ATOM 0 HA3 GLY A 76 35.704 34.005 36.586 1.00 0.00 H new TER 1239 GLY A 76