USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 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 25 ASN : amide:sc= -0.113 X(o=-0.44,f=-0.56) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -163:sc= -0.329 (180deg=-0.916) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.924 (180deg=-1.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 90:sc= 0.0387 USER MOD Single : A 9 THR OG1 : rot -150:sc= -0.359 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.0591 (180deg=-0.561) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 38:sc= 0.158 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0826 USER MOD Single : A 27 LYS NZ :NH3+ -121:sc= -1.74 (180deg=-2.26) USER MOD Single : A 31 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.77) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 41 GLN : amide:sc= -2.22 K(o=-2.2,f=-3.8) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0457 (180deg=-0.468) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 123:sc= -3.15! USER MOD Single : A 60 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.00064) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0348 (180deg=-0.471) USER MOD Single : A 68 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.828 27.560 1.807 1.00 0.00 N ATOM 2 CA MET A 1 26.643 28.218 2.428 1.00 0.00 C ATOM 3 C MET A 1 27.114 29.288 3.414 1.00 0.00 C ATOM 4 O MET A 1 28.174 29.186 3.998 1.00 0.00 O ATOM 5 CB MET A 1 25.811 27.170 3.170 1.00 0.00 C ATOM 6 CG MET A 1 25.131 26.247 2.157 1.00 0.00 C ATOM 7 SD MET A 1 24.214 24.958 3.038 1.00 0.00 S ATOM 8 CE MET A 1 23.524 24.136 1.579 1.00 0.00 C ATOM 0 H1 MET A 1 27.525 27.010 0.978 1.00 0.00 H new ATOM 0 H2 MET A 1 28.512 28.285 1.511 1.00 0.00 H new ATOM 0 H3 MET A 1 28.275 26.925 2.499 1.00 0.00 H new ATOM 0 HA MET A 1 26.035 28.682 1.652 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.449 26.589 3.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.062 27.659 3.792 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.455 26.820 1.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 25.876 25.795 1.502 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.910 23.292 1.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.911 24.842 1.019 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.335 23.778 0.945 1.00 0.00 H new ATOM 20 N GLN A 2 26.332 30.317 3.604 1.00 0.00 N ATOM 21 CA GLN A 2 26.735 31.395 4.553 1.00 0.00 C ATOM 22 C GLN A 2 26.387 30.973 5.982 1.00 0.00 C ATOM 23 O GLN A 2 25.241 30.997 6.384 1.00 0.00 O ATOM 24 CB GLN A 2 25.985 32.684 4.201 1.00 0.00 C ATOM 25 CG GLN A 2 25.985 32.877 2.683 1.00 0.00 C ATOM 26 CD GLN A 2 25.387 34.243 2.344 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.973 35.267 2.636 1.00 0.00 O ATOM 28 NE2 GLN A 2 24.237 34.303 1.730 1.00 0.00 N ATOM 0 H GLN A 2 25.433 30.458 3.144 1.00 0.00 H new ATOM 0 HA GLN A 2 27.809 31.566 4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 2 24.961 32.634 4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.459 33.537 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.002 32.807 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 2 25.407 32.086 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 2 23.745 33.444 1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 2 23.831 35.209 1.496 1.00 0.00 H new ATOM 37 N ILE A 3 27.365 30.583 6.754 1.00 0.00 N ATOM 38 CA ILE A 3 27.082 30.160 8.155 1.00 0.00 C ATOM 39 C ILE A 3 26.914 31.399 9.040 1.00 0.00 C ATOM 40 O ILE A 3 27.655 32.354 8.936 1.00 0.00 O ATOM 41 CB ILE A 3 28.237 29.300 8.680 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.573 30.001 8.412 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.228 27.945 7.970 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.705 29.199 9.058 1.00 0.00 C ATOM 0 H ILE A 3 28.345 30.539 6.476 1.00 0.00 H new ATOM 0 HA ILE A 3 26.163 29.574 8.177 1.00 0.00 H new ATOM 0 HB ILE A 3 28.114 29.155 9.753 1.00 0.00 H new ATOM 0 HG12 ILE A 3 29.741 30.089 7.339 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.553 31.013 8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.049 27.333 8.343 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.282 27.439 8.163 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.346 28.096 6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.657 29.696 8.869 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.537 29.134 10.133 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.729 28.196 8.633 1.00 0.00 H new ATOM 56 N PHE A 4 25.933 31.390 9.905 1.00 0.00 N ATOM 57 CA PHE A 4 25.701 32.566 10.797 1.00 0.00 C ATOM 58 C PHE A 4 26.383 32.330 12.146 1.00 0.00 C ATOM 59 O PHE A 4 26.610 31.208 12.552 1.00 0.00 O ATOM 60 CB PHE A 4 24.198 32.746 11.018 1.00 0.00 C ATOM 61 CG PHE A 4 23.548 33.182 9.726 1.00 0.00 C ATOM 62 CD1 PHE A 4 23.041 32.224 8.840 1.00 0.00 C ATOM 63 CD2 PHE A 4 23.452 34.543 9.415 1.00 0.00 C ATOM 64 CE1 PHE A 4 22.437 32.628 7.643 1.00 0.00 C ATOM 65 CE2 PHE A 4 22.849 34.947 8.217 1.00 0.00 C ATOM 66 CZ PHE A 4 22.341 33.990 7.332 1.00 0.00 C ATOM 0 H PHE A 4 25.280 30.617 10.033 1.00 0.00 H new ATOM 0 HA PHE A 4 26.115 33.460 10.331 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.756 31.811 11.363 1.00 0.00 H new ATOM 0 HB3 PHE A 4 24.020 33.489 11.796 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.116 31.174 9.080 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.843 35.282 10.099 1.00 0.00 H new ATOM 0 HE1 PHE A 4 22.045 31.889 6.960 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.776 35.997 7.977 1.00 0.00 H new ATOM 0 HZ PHE A 4 21.875 34.302 6.409 1.00 0.00 H new ATOM 76 N VAL A 5 26.702 33.386 12.850 1.00 0.00 N ATOM 77 CA VAL A 5 27.360 33.244 14.185 1.00 0.00 C ATOM 78 C VAL A 5 26.792 34.305 15.128 1.00 0.00 C ATOM 79 O VAL A 5 26.985 35.488 14.926 1.00 0.00 O ATOM 80 CB VAL A 5 28.869 33.447 14.035 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.541 33.305 15.402 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.434 32.392 13.079 1.00 0.00 C ATOM 0 H VAL A 5 26.534 34.348 12.555 1.00 0.00 H new ATOM 0 HA VAL A 5 27.171 32.249 14.589 1.00 0.00 H new ATOM 0 HB VAL A 5 29.063 34.442 13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.616 33.450 15.296 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.140 34.054 16.084 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.346 32.310 15.801 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.509 32.536 12.972 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.240 31.397 13.479 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.956 32.491 12.104 1.00 0.00 H new ATOM 92 N LYS A 6 26.085 33.898 16.151 1.00 0.00 N ATOM 93 CA LYS A 6 25.493 34.888 17.105 1.00 0.00 C ATOM 94 C LYS A 6 26.369 34.993 18.355 1.00 0.00 C ATOM 95 O LYS A 6 26.555 34.034 19.079 1.00 0.00 O ATOM 96 CB LYS A 6 24.092 34.421 17.508 1.00 0.00 C ATOM 97 CG LYS A 6 23.439 35.473 18.407 1.00 0.00 C ATOM 98 CD LYS A 6 22.016 35.034 18.755 1.00 0.00 C ATOM 99 CE LYS A 6 21.363 36.084 19.656 1.00 0.00 C ATOM 100 NZ LYS A 6 19.972 35.664 19.983 1.00 0.00 N ATOM 0 H LYS A 6 25.891 32.921 16.369 1.00 0.00 H new ATOM 0 HA LYS A 6 25.436 35.864 16.623 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.482 34.258 16.619 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.152 33.467 18.032 1.00 0.00 H new ATOM 0 HG2 LYS A 6 24.024 35.602 19.318 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.420 36.438 17.901 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.431 34.906 17.844 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.035 34.068 19.260 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.942 36.204 20.571 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.353 37.052 19.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.529 36.378 20.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.422 35.571 19.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.993 34.749 20.477 1.00 0.00 H new ATOM 114 N THR A 7 26.904 36.156 18.618 1.00 0.00 N ATOM 115 CA THR A 7 27.762 36.337 19.827 1.00 0.00 C ATOM 116 C THR A 7 26.889 36.811 20.992 1.00 0.00 C ATOM 117 O THR A 7 25.854 37.416 20.794 1.00 0.00 O ATOM 118 CB THR A 7 28.837 37.387 19.536 1.00 0.00 C ATOM 119 OG1 THR A 7 29.533 37.030 18.350 1.00 0.00 O ATOM 120 CG2 THR A 7 29.822 37.456 20.706 1.00 0.00 C ATOM 0 H THR A 7 26.783 36.992 18.046 1.00 0.00 H new ATOM 0 HA THR A 7 28.240 35.392 20.085 1.00 0.00 H new ATOM 0 HB THR A 7 28.366 38.361 19.405 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.083 37.426 17.575 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.586 38.205 20.495 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.288 37.729 21.616 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.295 36.483 20.841 1.00 0.00 H new ATOM 128 N LEU A 8 27.290 36.539 22.202 1.00 0.00 N ATOM 129 CA LEU A 8 26.472 36.976 23.370 1.00 0.00 C ATOM 130 C LEU A 8 26.246 38.488 23.299 1.00 0.00 C ATOM 131 O LEU A 8 25.291 39.008 23.842 1.00 0.00 O ATOM 132 CB LEU A 8 27.198 36.629 24.681 1.00 0.00 C ATOM 133 CG LEU A 8 28.696 37.038 24.600 1.00 0.00 C ATOM 134 CD1 LEU A 8 29.154 37.634 25.940 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.566 35.808 24.273 1.00 0.00 C ATOM 0 H LEU A 8 28.146 36.035 22.434 1.00 0.00 H new ATOM 0 HA LEU A 8 25.512 36.460 23.345 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.720 37.142 25.515 1.00 0.00 H new ATOM 0 HB3 LEU A 8 27.117 35.560 24.876 1.00 0.00 H new ATOM 0 HG LEU A 8 28.808 37.783 23.812 1.00 0.00 H new ATOM 0 HD11 LEU A 8 30.204 37.917 25.872 1.00 0.00 H new ATOM 0 HD12 LEU A 8 28.555 38.515 26.170 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.028 36.893 26.730 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.613 36.107 24.219 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.443 35.057 25.054 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.258 35.389 23.315 1.00 0.00 H new ATOM 147 N THR A 9 27.117 39.200 22.636 1.00 0.00 N ATOM 148 CA THR A 9 26.953 40.678 22.534 1.00 0.00 C ATOM 149 C THR A 9 25.980 41.009 21.399 1.00 0.00 C ATOM 150 O THR A 9 25.657 42.156 21.160 1.00 0.00 O ATOM 151 CB THR A 9 28.311 41.323 22.243 1.00 0.00 C ATOM 152 OG1 THR A 9 28.840 40.786 21.039 1.00 0.00 O ATOM 153 CG2 THR A 9 29.271 41.037 23.398 1.00 0.00 C ATOM 0 H THR A 9 27.936 38.821 22.160 1.00 0.00 H new ATOM 0 HA THR A 9 26.559 41.064 23.474 1.00 0.00 H new ATOM 0 HB THR A 9 28.187 42.401 22.136 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.819 40.794 21.080 1.00 0.00 H new ATOM 0 HG21 THR A 9 30.237 41.496 23.190 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.864 41.450 24.321 1.00 0.00 H new ATOM 0 HG23 THR A 9 29.397 39.960 23.508 1.00 0.00 H new ATOM 161 N GLY A 10 25.511 40.012 20.694 1.00 0.00 N ATOM 162 CA GLY A 10 24.560 40.267 19.573 1.00 0.00 C ATOM 163 C GLY A 10 25.347 40.517 18.286 1.00 0.00 C ATOM 164 O GLY A 10 24.799 40.523 17.200 1.00 0.00 O ATOM 0 H GLY A 10 25.746 39.031 20.847 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.894 39.414 19.445 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.933 41.129 19.802 1.00 0.00 H new ATOM 168 N LYS A 11 26.631 40.720 18.397 1.00 0.00 N ATOM 169 CA LYS A 11 27.451 40.966 17.178 1.00 0.00 C ATOM 170 C LYS A 11 27.215 39.833 16.179 1.00 0.00 C ATOM 171 O LYS A 11 27.551 38.692 16.427 1.00 0.00 O ATOM 172 CB LYS A 11 28.934 41.017 17.556 1.00 0.00 C ATOM 173 CG LYS A 11 29.210 42.291 18.359 1.00 0.00 C ATOM 174 CD LYS A 11 30.686 42.330 18.762 1.00 0.00 C ATOM 175 CE LYS A 11 30.958 43.593 19.582 1.00 0.00 C ATOM 176 NZ LYS A 11 30.697 44.795 18.743 1.00 0.00 N ATOM 0 H LYS A 11 27.147 40.726 19.277 1.00 0.00 H new ATOM 0 HA LYS A 11 27.164 41.917 16.729 1.00 0.00 H new ATOM 0 HB2 LYS A 11 29.201 40.139 18.143 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.551 40.999 16.657 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.961 43.170 17.764 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.579 42.318 19.247 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.938 41.444 19.345 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.317 42.318 17.873 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.322 43.609 20.467 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.990 43.597 19.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.172 45.620 19.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.063 44.634 17.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.673 44.971 18.698 1.00 0.00 H new ATOM 190 N THR A 12 26.632 40.137 15.050 1.00 0.00 N ATOM 191 CA THR A 12 26.362 39.079 14.029 1.00 0.00 C ATOM 192 C THR A 12 27.523 39.013 13.036 1.00 0.00 C ATOM 193 O THR A 12 28.020 40.022 12.576 1.00 0.00 O ATOM 194 CB THR A 12 25.071 39.417 13.277 1.00 0.00 C ATOM 195 OG1 THR A 12 23.988 39.454 14.196 1.00 0.00 O ATOM 196 CG2 THR A 12 24.805 38.348 12.214 1.00 0.00 C ATOM 0 H THR A 12 26.330 41.075 14.789 1.00 0.00 H new ATOM 0 HA THR A 12 26.256 38.115 14.527 1.00 0.00 H new ATOM 0 HB THR A 12 25.172 40.389 12.794 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.161 39.672 13.718 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.886 38.588 11.679 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.638 38.319 11.511 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.701 37.375 12.694 1.00 0.00 H new ATOM 204 N ILE A 13 27.951 37.828 12.693 1.00 0.00 N ATOM 205 CA ILE A 13 29.073 37.673 11.718 1.00 0.00 C ATOM 206 C ILE A 13 28.777 36.465 10.828 1.00 0.00 C ATOM 207 O ILE A 13 28.331 35.438 11.301 1.00 0.00 O ATOM 208 CB ILE A 13 30.385 37.441 12.472 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.567 38.532 13.532 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.557 37.492 11.489 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.899 38.325 14.255 1.00 0.00 C ATOM 0 H ILE A 13 27.569 36.952 13.049 1.00 0.00 H new ATOM 0 HA ILE A 13 29.167 38.574 11.112 1.00 0.00 H new ATOM 0 HB ILE A 13 30.355 36.464 12.954 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.545 39.516 13.064 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.745 38.500 14.247 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.491 37.327 12.027 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.432 36.717 10.733 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.585 38.469 11.006 1.00 0.00 H new ATOM 0 HD11 ILE A 13 32.028 39.101 15.009 1.00 0.00 H new ATOM 0 HD12 ILE A 13 31.904 37.347 14.737 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.716 38.379 13.535 1.00 0.00 H new ATOM 223 N THR A 14 29.017 36.574 9.543 1.00 0.00 N ATOM 224 CA THR A 14 28.745 35.431 8.613 1.00 0.00 C ATOM 225 C THR A 14 29.992 35.148 7.774 1.00 0.00 C ATOM 226 O THR A 14 30.696 36.051 7.369 1.00 0.00 O ATOM 227 CB THR A 14 27.585 35.800 7.685 1.00 0.00 C ATOM 228 OG1 THR A 14 27.264 34.684 6.865 1.00 0.00 O ATOM 229 CG2 THR A 14 27.989 36.982 6.805 1.00 0.00 C ATOM 0 H THR A 14 29.392 37.410 9.096 1.00 0.00 H new ATOM 0 HA THR A 14 28.486 34.544 9.192 1.00 0.00 H new ATOM 0 HB THR A 14 26.715 36.076 8.282 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.345 33.859 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.162 37.243 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.235 37.837 7.435 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.859 36.710 6.207 1.00 0.00 H new ATOM 237 N LEU A 15 30.266 33.893 7.514 1.00 0.00 N ATOM 238 CA LEU A 15 31.465 33.516 6.700 1.00 0.00 C ATOM 239 C LEU A 15 31.016 32.652 5.521 1.00 0.00 C ATOM 240 O LEU A 15 30.473 31.578 5.698 1.00 0.00 O ATOM 241 CB LEU A 15 32.435 32.710 7.571 1.00 0.00 C ATOM 242 CG LEU A 15 32.714 33.460 8.880 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.531 32.564 9.813 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.501 34.744 8.589 1.00 0.00 C ATOM 0 H LEU A 15 29.704 33.105 7.835 1.00 0.00 H new ATOM 0 HA LEU A 15 31.960 34.416 6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.012 31.729 7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 15 33.368 32.543 7.032 1.00 0.00 H new ATOM 0 HG LEU A 15 31.767 33.720 9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.731 33.094 10.744 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.970 31.654 10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.475 32.304 9.334 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.695 35.271 9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.448 34.490 8.112 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.920 35.384 7.925 1.00 0.00 H new ATOM 256 N GLU A 16 31.226 33.111 4.315 1.00 0.00 N ATOM 257 CA GLU A 16 30.801 32.317 3.123 1.00 0.00 C ATOM 258 C GLU A 16 31.944 31.398 2.686 1.00 0.00 C ATOM 259 O GLU A 16 32.982 31.848 2.242 1.00 0.00 O ATOM 260 CB GLU A 16 30.451 33.272 1.978 1.00 0.00 C ATOM 261 CG GLU A 16 29.596 34.423 2.516 1.00 0.00 C ATOM 262 CD GLU A 16 28.951 35.169 1.348 1.00 0.00 C ATOM 263 OE1 GLU A 16 28.068 34.605 0.722 1.00 0.00 O ATOM 264 OE2 GLU A 16 29.351 36.294 1.097 1.00 0.00 O ATOM 0 H GLU A 16 31.674 34.003 4.103 1.00 0.00 H new ATOM 0 HA GLU A 16 29.929 31.715 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.362 33.663 1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.910 32.738 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 16 28.826 34.037 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.213 35.105 3.101 1.00 0.00 H new ATOM 271 N VAL A 17 31.753 30.112 2.796 1.00 0.00 N ATOM 272 CA VAL A 17 32.817 29.159 2.372 1.00 0.00 C ATOM 273 C VAL A 17 32.203 27.773 2.176 1.00 0.00 C ATOM 274 O VAL A 17 31.195 27.442 2.770 1.00 0.00 O ATOM 275 CB VAL A 17 33.909 29.090 3.440 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.281 28.748 4.794 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.927 28.011 3.061 1.00 0.00 C ATOM 0 H VAL A 17 30.905 29.680 3.162 1.00 0.00 H new ATOM 0 HA VAL A 17 33.257 29.501 1.435 1.00 0.00 H new ATOM 0 HB VAL A 17 34.411 30.055 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 17 34.060 28.699 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.558 29.517 5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.777 27.784 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.706 27.962 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.425 27.046 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.376 28.256 2.098 1.00 0.00 H new ATOM 287 N GLU A 18 32.798 26.963 1.341 1.00 0.00 N ATOM 288 CA GLU A 18 32.248 25.595 1.093 1.00 0.00 C ATOM 289 C GLU A 18 31.831 24.946 2.431 1.00 0.00 C ATOM 290 O GLU A 18 32.648 24.802 3.319 1.00 0.00 O ATOM 291 CB GLU A 18 33.335 24.734 0.443 1.00 0.00 C ATOM 292 CG GLU A 18 33.735 25.344 -0.901 1.00 0.00 C ATOM 293 CD GLU A 18 34.863 24.517 -1.522 1.00 0.00 C ATOM 294 OE1 GLU A 18 35.315 23.588 -0.874 1.00 0.00 O ATOM 295 OE2 GLU A 18 35.253 24.825 -2.636 1.00 0.00 O ATOM 0 H GLU A 18 33.644 27.189 0.818 1.00 0.00 H new ATOM 0 HA GLU A 18 31.379 25.668 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.204 24.671 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.970 23.717 0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.876 25.368 -1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.060 26.375 -0.762 1.00 0.00 H new ATOM 302 N PRO A 19 30.580 24.557 2.594 1.00 0.00 N ATOM 303 CA PRO A 19 30.105 23.925 3.861 1.00 0.00 C ATOM 304 C PRO A 19 31.108 22.915 4.431 1.00 0.00 C ATOM 305 O PRO A 19 31.127 22.648 5.612 1.00 0.00 O ATOM 306 CB PRO A 19 28.811 23.225 3.442 1.00 0.00 C ATOM 307 CG PRO A 19 28.263 24.075 2.343 1.00 0.00 C ATOM 308 CD PRO A 19 29.477 24.668 1.612 1.00 0.00 C ATOM 0 HA PRO A 19 29.971 24.659 4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.003 22.208 3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.111 23.153 4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 19 27.650 23.484 1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.626 24.864 2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.700 24.117 0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.302 25.705 1.325 1.00 0.00 H new ATOM 316 N SER A 20 31.941 22.350 3.603 1.00 0.00 N ATOM 317 CA SER A 20 32.933 21.358 4.108 1.00 0.00 C ATOM 318 C SER A 20 34.064 22.086 4.839 1.00 0.00 C ATOM 319 O SER A 20 35.138 21.551 5.027 1.00 0.00 O ATOM 320 CB SER A 20 33.505 20.564 2.933 1.00 0.00 C ATOM 321 OG SER A 20 33.813 21.454 1.868 1.00 0.00 O ATOM 0 H SER A 20 31.979 22.531 2.600 1.00 0.00 H new ATOM 0 HA SER A 20 32.441 20.675 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.401 20.027 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.785 19.816 2.600 1.00 0.00 H new ATOM 0 HG SER A 20 34.181 20.947 1.114 1.00 0.00 H new ATOM 327 N ASP A 21 33.834 23.304 5.248 1.00 0.00 N ATOM 328 CA ASP A 21 34.896 24.068 5.963 1.00 0.00 C ATOM 329 C ASP A 21 35.348 23.296 7.206 1.00 0.00 C ATOM 330 O ASP A 21 34.680 22.393 7.667 1.00 0.00 O ATOM 331 CB ASP A 21 34.334 25.430 6.388 1.00 0.00 C ATOM 332 CG ASP A 21 35.484 26.400 6.669 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.924 26.451 7.804 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.903 27.076 5.743 1.00 0.00 O ATOM 0 H ASP A 21 32.955 23.804 5.118 1.00 0.00 H new ATOM 0 HA ASP A 21 35.749 24.208 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 21 33.692 25.830 5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 21 33.716 25.317 7.278 1.00 0.00 H new ATOM 339 N THR A 22 36.481 23.659 7.753 1.00 0.00 N ATOM 340 CA THR A 22 36.994 22.965 8.977 1.00 0.00 C ATOM 341 C THR A 22 36.754 23.854 10.200 1.00 0.00 C ATOM 342 O THR A 22 36.846 25.062 10.129 1.00 0.00 O ATOM 343 CB THR A 22 38.496 22.713 8.821 1.00 0.00 C ATOM 344 OG1 THR A 22 39.173 23.955 8.690 1.00 0.00 O ATOM 345 CG2 THR A 22 38.744 21.860 7.577 1.00 0.00 C ATOM 0 H THR A 22 37.077 24.410 7.404 1.00 0.00 H new ATOM 0 HA THR A 22 36.474 22.016 9.107 1.00 0.00 H new ATOM 0 HB THR A 22 38.870 22.188 9.700 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.135 23.795 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.813 21.681 7.466 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.225 20.907 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.371 22.383 6.697 1.00 0.00 H new ATOM 353 N ILE A 23 36.435 23.261 11.320 1.00 0.00 N ATOM 354 CA ILE A 23 36.171 24.069 12.546 1.00 0.00 C ATOM 355 C ILE A 23 37.380 24.958 12.858 1.00 0.00 C ATOM 356 O ILE A 23 37.250 26.154 13.027 1.00 0.00 O ATOM 357 CB ILE A 23 35.909 23.135 13.733 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.879 22.062 13.347 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.372 23.949 14.912 1.00 0.00 C ATOM 360 CD1 ILE A 23 33.643 22.716 12.719 1.00 0.00 C ATOM 0 H ILE A 23 36.346 22.252 11.439 1.00 0.00 H new ATOM 0 HA ILE A 23 35.297 24.697 12.374 1.00 0.00 H new ATOM 0 HB ILE A 23 36.843 22.648 14.013 1.00 0.00 H new ATOM 0 HG12 ILE A 23 35.323 21.357 12.644 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.589 21.492 14.230 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.185 23.286 15.757 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.105 24.703 15.198 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.442 24.439 14.623 1.00 0.00 H new ATOM 0 HD11 ILE A 23 32.921 21.945 12.450 1.00 0.00 H new ATOM 0 HD12 ILE A 23 33.191 23.403 13.435 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.937 23.266 11.825 1.00 0.00 H new ATOM 372 N GLU A 24 38.550 24.386 12.941 1.00 0.00 N ATOM 373 CA GLU A 24 39.762 25.203 13.246 1.00 0.00 C ATOM 374 C GLU A 24 39.773 26.459 12.370 1.00 0.00 C ATOM 375 O GLU A 24 40.119 27.534 12.816 1.00 0.00 O ATOM 376 CB GLU A 24 41.018 24.374 12.969 1.00 0.00 C ATOM 377 CG GLU A 24 40.992 23.867 11.525 1.00 0.00 C ATOM 378 CD GLU A 24 42.111 22.844 11.323 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.793 22.544 12.290 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.268 22.380 10.207 1.00 0.00 O ATOM 0 H GLU A 24 38.720 23.389 12.811 1.00 0.00 H new ATOM 0 HA GLU A 24 39.744 25.498 14.295 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.909 24.979 13.136 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.070 23.532 13.660 1.00 0.00 H new ATOM 0 HG2 GLU A 24 40.026 23.413 11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.117 24.700 10.834 1.00 0.00 H new ATOM 387 N ASN A 25 39.393 26.330 11.130 1.00 0.00 N ATOM 388 CA ASN A 25 39.379 27.517 10.232 1.00 0.00 C ATOM 389 C ASN A 25 38.348 28.514 10.754 1.00 0.00 C ATOM 390 O ASN A 25 38.585 29.704 10.796 1.00 0.00 O ATOM 391 CB ASN A 25 39.008 27.084 8.812 1.00 0.00 C ATOM 392 CG ASN A 25 38.985 28.307 7.894 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.978 28.995 7.755 1.00 0.00 O ATOM 394 ND2 ASN A 25 37.889 28.609 7.255 1.00 0.00 N ATOM 0 H ASN A 25 39.092 25.455 10.700 1.00 0.00 H new ATOM 0 HA ASN A 25 40.365 27.981 10.213 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.728 26.353 8.444 1.00 0.00 H new ATOM 0 HB3 ASN A 25 38.032 26.598 8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 25 37.865 29.422 6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 25 37.056 28.032 7.371 1.00 0.00 H new ATOM 401 N VAL A 26 37.208 28.033 11.168 1.00 0.00 N ATOM 402 CA VAL A 26 36.170 28.951 11.706 1.00 0.00 C ATOM 403 C VAL A 26 36.737 29.657 12.931 1.00 0.00 C ATOM 404 O VAL A 26 36.803 30.868 12.994 1.00 0.00 O ATOM 405 CB VAL A 26 34.941 28.141 12.117 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.843 29.090 12.585 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.443 27.328 10.924 1.00 0.00 C ATOM 0 H VAL A 26 36.953 27.046 11.156 1.00 0.00 H new ATOM 0 HA VAL A 26 35.886 29.681 10.948 1.00 0.00 H new ATOM 0 HB VAL A 26 35.205 27.464 12.929 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.965 28.514 12.879 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.200 29.667 13.438 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.578 29.768 11.774 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.566 26.750 11.218 1.00 0.00 H new ATOM 0 HG22 VAL A 26 34.177 28.002 10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.229 26.650 10.592 1.00 0.00 H new ATOM 417 N LYS A 27 37.156 28.895 13.908 1.00 0.00 N ATOM 418 CA LYS A 27 37.733 29.494 15.144 1.00 0.00 C ATOM 419 C LYS A 27 38.702 30.618 14.767 1.00 0.00 C ATOM 420 O LYS A 27 38.884 31.568 15.500 1.00 0.00 O ATOM 421 CB LYS A 27 38.482 28.410 15.921 1.00 0.00 C ATOM 422 CG LYS A 27 37.483 27.393 16.475 1.00 0.00 C ATOM 423 CD LYS A 27 38.188 26.488 17.491 1.00 0.00 C ATOM 424 CE LYS A 27 37.182 25.499 18.081 1.00 0.00 C ATOM 425 NZ LYS A 27 36.084 26.248 18.754 1.00 0.00 N ATOM 0 H LYS A 27 37.122 27.876 13.900 1.00 0.00 H new ATOM 0 HA LYS A 27 36.934 29.904 15.762 1.00 0.00 H new ATOM 0 HB2 LYS A 27 39.200 27.912 15.270 1.00 0.00 H new ATOM 0 HB3 LYS A 27 39.049 28.859 16.736 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.648 27.908 16.949 1.00 0.00 H new ATOM 0 HG3 LYS A 27 37.069 26.794 15.664 1.00 0.00 H new ATOM 0 HD2 LYS A 27 39.003 25.949 17.009 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.630 27.090 18.285 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.775 24.865 17.293 1.00 0.00 H new ATOM 0 HE3 LYS A 27 37.678 24.841 18.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.041 25.975 19.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.265 27.270 18.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 35.178 26.023 18.295 1.00 0.00 H new ATOM 439 N ALA A 28 39.319 30.515 13.623 1.00 0.00 N ATOM 440 CA ALA A 28 40.268 31.582 13.196 1.00 0.00 C ATOM 441 C ALA A 28 39.489 32.881 12.973 1.00 0.00 C ATOM 442 O ALA A 28 39.761 33.896 13.586 1.00 0.00 O ATOM 443 CB ALA A 28 40.956 31.158 11.894 1.00 0.00 C ATOM 0 H ALA A 28 39.208 29.742 12.967 1.00 0.00 H new ATOM 0 HA ALA A 28 41.024 31.738 13.965 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.651 31.937 11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.502 30.229 12.057 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.205 31.007 11.118 1.00 0.00 H new ATOM 449 N LYS A 29 38.520 32.856 12.100 1.00 0.00 N ATOM 450 CA LYS A 29 37.719 34.085 11.831 1.00 0.00 C ATOM 451 C LYS A 29 37.171 34.633 13.153 1.00 0.00 C ATOM 452 O LYS A 29 36.968 35.816 13.310 1.00 0.00 O ATOM 453 CB LYS A 29 36.556 33.741 10.889 1.00 0.00 C ATOM 454 CG LYS A 29 37.063 33.668 9.444 1.00 0.00 C ATOM 455 CD LYS A 29 38.052 32.507 9.303 1.00 0.00 C ATOM 456 CE LYS A 29 38.249 32.179 7.821 1.00 0.00 C ATOM 457 NZ LYS A 29 36.967 31.685 7.246 1.00 0.00 N ATOM 0 H LYS A 29 38.247 32.035 11.559 1.00 0.00 H new ATOM 0 HA LYS A 29 38.350 34.839 11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.112 32.788 11.177 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.773 34.495 10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.225 33.530 8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 29 37.546 34.606 9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.007 32.772 9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 29 37.678 31.631 9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.583 33.066 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.027 31.424 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.155 31.198 6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.521 31.022 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.329 32.489 7.078 1.00 0.00 H new ATOM 471 N ILE A 30 36.943 33.785 14.112 1.00 0.00 N ATOM 472 CA ILE A 30 36.425 34.275 15.415 1.00 0.00 C ATOM 473 C ILE A 30 37.584 34.891 16.206 1.00 0.00 C ATOM 474 O ILE A 30 37.616 36.075 16.472 1.00 0.00 O ATOM 475 CB ILE A 30 35.836 33.103 16.201 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.815 32.348 15.335 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.146 33.631 17.459 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.785 33.321 14.749 1.00 0.00 C ATOM 0 H ILE A 30 37.092 32.778 14.051 1.00 0.00 H new ATOM 0 HA ILE A 30 35.649 35.023 15.250 1.00 0.00 H new ATOM 0 HB ILE A 30 36.639 32.421 16.481 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.329 31.825 14.529 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.309 31.591 15.935 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.725 32.797 18.021 1.00 0.00 H new ATOM 0 HG22 ILE A 30 35.872 34.156 18.079 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.348 34.317 17.175 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.070 32.770 14.139 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.258 33.825 15.559 1.00 0.00 H new ATOM 0 HD13 ILE A 30 34.294 34.061 14.132 1.00 0.00 H new ATOM 490 N GLN A 31 38.525 34.080 16.590 1.00 0.00 N ATOM 491 CA GLN A 31 39.684 34.573 17.374 1.00 0.00 C ATOM 492 C GLN A 31 40.217 35.890 16.792 1.00 0.00 C ATOM 493 O GLN A 31 40.478 36.829 17.509 1.00 0.00 O ATOM 494 CB GLN A 31 40.782 33.513 17.319 1.00 0.00 C ATOM 495 CG GLN A 31 42.033 34.034 18.018 1.00 0.00 C ATOM 496 CD GLN A 31 43.015 32.882 18.240 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.987 33.026 18.956 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.804 31.737 17.652 1.00 0.00 N ATOM 0 H GLN A 31 38.539 33.080 16.390 1.00 0.00 H new ATOM 0 HA GLN A 31 39.373 34.757 18.403 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.440 32.596 17.799 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.009 33.264 16.282 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.501 34.813 17.416 1.00 0.00 H new ATOM 0 HG3 GLN A 31 41.766 34.487 18.973 1.00 0.00 H new ATOM 0 HE21 GLN A 31 41.989 31.615 17.051 1.00 0.00 H new ATOM 0 HE22 GLN A 31 43.454 30.964 17.793 1.00 0.00 H new ATOM 507 N ASP A 32 40.401 35.955 15.504 1.00 0.00 N ATOM 508 CA ASP A 32 40.948 37.211 14.894 1.00 0.00 C ATOM 509 C ASP A 32 39.903 38.337 14.925 1.00 0.00 C ATOM 510 O ASP A 32 40.160 39.423 15.405 1.00 0.00 O ATOM 511 CB ASP A 32 41.346 36.932 13.443 1.00 0.00 C ATOM 512 CG ASP A 32 42.385 35.810 13.405 1.00 0.00 C ATOM 513 OD1 ASP A 32 41.986 34.661 13.311 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.564 36.119 13.470 1.00 0.00 O ATOM 0 H ASP A 32 40.200 35.202 14.846 1.00 0.00 H new ATOM 0 HA ASP A 32 41.817 37.529 15.471 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.468 36.649 12.862 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.753 37.834 12.987 1.00 0.00 H new ATOM 519 N LYS A 33 38.744 38.096 14.383 1.00 0.00 N ATOM 520 CA LYS A 33 37.705 39.163 14.343 1.00 0.00 C ATOM 521 C LYS A 33 37.369 39.647 15.759 1.00 0.00 C ATOM 522 O LYS A 33 37.201 40.827 15.989 1.00 0.00 O ATOM 523 CB LYS A 33 36.442 38.623 13.677 1.00 0.00 C ATOM 524 CG LYS A 33 36.743 38.174 12.233 1.00 0.00 C ATOM 525 CD LYS A 33 36.705 39.371 11.269 1.00 0.00 C ATOM 526 CE LYS A 33 35.262 39.674 10.840 1.00 0.00 C ATOM 527 NZ LYS A 33 35.273 40.727 9.787 1.00 0.00 N ATOM 0 H LYS A 33 38.470 37.207 13.966 1.00 0.00 H new ATOM 0 HA LYS A 33 38.094 40.004 13.770 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.052 37.783 14.251 1.00 0.00 H new ATOM 0 HB3 LYS A 33 35.669 39.392 13.672 1.00 0.00 H new ATOM 0 HG2 LYS A 33 37.723 37.700 12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 33 36.014 37.427 11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 33 37.138 40.247 11.751 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.314 39.157 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 33 34.785 38.770 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 33 34.678 40.007 11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 34.297 40.935 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 35.713 41.591 10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.817 40.392 8.966 1.00 0.00 H new ATOM 541 N GLU A 34 37.266 38.760 16.711 1.00 0.00 N ATOM 542 CA GLU A 34 36.938 39.198 18.103 1.00 0.00 C ATOM 543 C GLU A 34 38.235 39.455 18.881 1.00 0.00 C ATOM 544 O GLU A 34 38.258 40.204 19.838 1.00 0.00 O ATOM 545 CB GLU A 34 36.128 38.102 18.808 1.00 0.00 C ATOM 546 CG GLU A 34 35.072 37.549 17.849 1.00 0.00 C ATOM 547 CD GLU A 34 34.224 36.501 18.573 1.00 0.00 C ATOM 548 OE1 GLU A 34 34.769 35.804 19.413 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.044 36.416 18.277 1.00 0.00 O ATOM 0 H GLU A 34 37.394 37.755 16.589 1.00 0.00 H new ATOM 0 HA GLU A 34 36.351 40.116 18.064 1.00 0.00 H new ATOM 0 HB2 GLU A 34 36.790 37.301 19.137 1.00 0.00 H new ATOM 0 HB3 GLU A 34 35.649 38.506 19.699 1.00 0.00 H new ATOM 0 HG2 GLU A 34 34.438 38.357 17.485 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.554 37.104 16.978 1.00 0.00 H new ATOM 556 N GLY A 35 39.311 38.840 18.477 1.00 0.00 N ATOM 557 CA GLY A 35 40.603 39.048 19.198 1.00 0.00 C ATOM 558 C GLY A 35 40.518 38.376 20.568 1.00 0.00 C ATOM 559 O GLY A 35 41.295 38.651 21.460 1.00 0.00 O ATOM 0 H GLY A 35 39.355 38.203 17.681 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.428 38.628 18.622 1.00 0.00 H new ATOM 0 HA3 GLY A 35 40.804 40.113 19.312 1.00 0.00 H new ATOM 563 N ILE A 36 39.560 37.506 20.740 1.00 0.00 N ATOM 564 CA ILE A 36 39.374 36.807 22.037 1.00 0.00 C ATOM 565 C ILE A 36 39.985 35.393 21.961 1.00 0.00 C ATOM 566 O ILE A 36 39.443 34.529 21.301 1.00 0.00 O ATOM 567 CB ILE A 36 37.879 36.693 22.281 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.263 38.088 22.179 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.633 36.121 23.672 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.768 38.003 22.442 1.00 0.00 C ATOM 0 H ILE A 36 38.886 37.247 20.019 1.00 0.00 H new ATOM 0 HA ILE A 36 39.862 37.357 22.841 1.00 0.00 H new ATOM 0 HB ILE A 36 37.426 36.032 21.542 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.732 38.758 22.900 1.00 0.00 H new ATOM 0 HG13 ILE A 36 37.446 38.506 21.189 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.560 36.039 23.847 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.089 35.134 23.745 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.073 36.781 24.420 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.329 38.998 22.369 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.305 37.347 21.704 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.597 37.603 23.441 1.00 0.00 H new ATOM 582 N PRO A 37 41.091 35.140 22.628 1.00 0.00 N ATOM 583 CA PRO A 37 41.733 33.789 22.609 1.00 0.00 C ATOM 584 C PRO A 37 40.707 32.657 22.853 1.00 0.00 C ATOM 585 O PRO A 37 40.051 32.639 23.875 1.00 0.00 O ATOM 586 CB PRO A 37 42.738 33.862 23.767 1.00 0.00 C ATOM 587 CG PRO A 37 43.114 35.306 23.848 1.00 0.00 C ATOM 588 CD PRO A 37 41.857 36.089 23.461 1.00 0.00 C ATOM 0 HA PRO A 37 42.189 33.561 21.646 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.294 33.515 24.700 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.609 33.235 23.576 1.00 0.00 H new ATOM 0 HG2 PRO A 37 43.443 35.568 24.853 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.939 35.533 23.173 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.291 36.396 24.340 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.105 36.996 22.909 1.00 0.00 H new ATOM 596 N PRO A 38 40.562 31.717 21.938 1.00 0.00 N ATOM 597 CA PRO A 38 39.598 30.586 22.097 1.00 0.00 C ATOM 598 C PRO A 38 39.559 30.020 23.523 1.00 0.00 C ATOM 599 O PRO A 38 38.526 29.604 24.009 1.00 0.00 O ATOM 600 CB PRO A 38 40.129 29.549 21.121 1.00 0.00 C ATOM 601 CG PRO A 38 40.658 30.369 20.002 1.00 0.00 C ATOM 602 CD PRO A 38 41.280 31.612 20.652 1.00 0.00 C ATOM 0 HA PRO A 38 38.571 30.898 21.906 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.908 28.934 21.572 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.343 28.872 20.787 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.401 29.815 19.428 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.863 30.646 19.310 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.354 31.495 20.799 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.138 32.501 20.038 1.00 0.00 H new ATOM 610 N ASP A 39 40.682 29.987 24.183 1.00 0.00 N ATOM 611 CA ASP A 39 40.726 29.433 25.567 1.00 0.00 C ATOM 612 C ASP A 39 39.605 30.038 26.416 1.00 0.00 C ATOM 613 O ASP A 39 38.957 29.355 27.183 1.00 0.00 O ATOM 614 CB ASP A 39 42.078 29.760 26.203 1.00 0.00 C ATOM 615 CG ASP A 39 42.144 29.155 27.607 1.00 0.00 C ATOM 616 OD1 ASP A 39 42.166 27.938 27.706 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.171 29.917 28.559 1.00 0.00 O ATOM 0 H ASP A 39 41.576 30.321 23.823 1.00 0.00 H new ATOM 0 HA ASP A 39 40.591 28.352 25.520 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.886 29.365 25.587 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.215 30.840 26.255 1.00 0.00 H new ATOM 622 N GLN A 40 39.384 31.314 26.297 1.00 0.00 N ATOM 623 CA GLN A 40 38.319 31.974 27.105 1.00 0.00 C ATOM 624 C GLN A 40 36.962 31.833 26.409 1.00 0.00 C ATOM 625 O GLN A 40 35.976 32.393 26.846 1.00 0.00 O ATOM 626 CB GLN A 40 38.661 33.456 27.250 1.00 0.00 C ATOM 627 CG GLN A 40 40.010 33.603 27.954 1.00 0.00 C ATOM 628 CD GLN A 40 40.297 35.084 28.206 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.511 35.770 28.830 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.399 35.610 27.745 1.00 0.00 N ATOM 0 H GLN A 40 39.897 31.935 25.671 1.00 0.00 H new ATOM 0 HA GLN A 40 38.262 31.501 28.085 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.698 33.929 26.269 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.884 33.965 27.820 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.001 33.058 28.898 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.800 33.168 27.343 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.059 35.035 27.221 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.601 36.596 27.908 1.00 0.00 H new ATOM 639 N GLN A 41 36.909 31.100 25.323 1.00 0.00 N ATOM 640 CA GLN A 41 35.617 30.930 24.579 1.00 0.00 C ATOM 641 C GLN A 41 35.344 29.452 24.296 1.00 0.00 C ATOM 642 O GLN A 41 36.237 28.687 23.989 1.00 0.00 O ATOM 643 CB GLN A 41 35.699 31.676 23.249 1.00 0.00 C ATOM 644 CG GLN A 41 35.983 33.155 23.506 1.00 0.00 C ATOM 645 CD GLN A 41 36.145 33.879 22.169 1.00 0.00 C ATOM 646 OE1 GLN A 41 37.027 33.560 21.396 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.327 34.848 21.861 1.00 0.00 N ATOM 0 H GLN A 41 37.706 30.610 24.917 1.00 0.00 H new ATOM 0 HA GLN A 41 34.810 31.330 25.193 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.486 31.247 22.628 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.764 31.565 22.700 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.168 33.600 24.077 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.888 33.265 24.104 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.587 35.116 22.509 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.428 35.337 20.972 1.00 0.00 H new ATOM 656 N ARG A 42 34.097 29.060 24.362 1.00 0.00 N ATOM 657 CA ARG A 42 33.705 27.652 24.063 1.00 0.00 C ATOM 658 C ARG A 42 32.502 27.713 23.124 1.00 0.00 C ATOM 659 O ARG A 42 31.567 28.449 23.367 1.00 0.00 O ATOM 660 CB ARG A 42 33.318 26.936 25.359 1.00 0.00 C ATOM 661 CG ARG A 42 34.588 26.556 26.137 1.00 0.00 C ATOM 662 CD ARG A 42 35.359 25.425 25.424 1.00 0.00 C ATOM 663 NE ARG A 42 36.403 26.017 24.540 1.00 0.00 N ATOM 664 CZ ARG A 42 37.199 25.238 23.861 1.00 0.00 C ATOM 665 NH1 ARG A 42 38.111 25.755 23.084 1.00 0.00 N ATOM 666 NH2 ARG A 42 37.084 23.942 23.960 1.00 0.00 N ATOM 0 H ARG A 42 33.320 29.670 24.616 1.00 0.00 H new ATOM 0 HA ARG A 42 34.529 27.105 23.605 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.686 27.582 25.968 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.737 26.042 25.133 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.231 27.430 26.239 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.320 26.238 27.145 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.821 24.765 26.159 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.672 24.816 24.836 1.00 0.00 H new ATOM 0 HE ARG A 42 36.495 27.030 24.466 1.00 0.00 H new ATOM 0 HH11 ARG A 42 38.201 26.768 23.008 1.00 0.00 H new ATOM 0 HH12 ARG A 42 38.734 25.146 22.553 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.372 23.538 24.568 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.706 23.333 23.429 1.00 0.00 H new ATOM 680 N LEU A 43 32.509 26.983 22.043 1.00 0.00 N ATOM 681 CA LEU A 43 31.352 27.060 21.103 1.00 0.00 C ATOM 682 C LEU A 43 30.270 26.059 21.500 1.00 0.00 C ATOM 683 O LEU A 43 30.552 24.954 21.915 1.00 0.00 O ATOM 684 CB LEU A 43 31.820 26.745 19.685 1.00 0.00 C ATOM 685 CG LEU A 43 33.095 27.528 19.355 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.318 27.476 17.852 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.943 28.988 19.784 1.00 0.00 C ATOM 0 H LEU A 43 33.255 26.343 21.771 1.00 0.00 H new ATOM 0 HA LEU A 43 30.940 28.068 21.146 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.007 25.676 19.586 1.00 0.00 H new ATOM 0 HB3 LEU A 43 31.036 26.998 18.972 1.00 0.00 H new ATOM 0 HG LEU A 43 33.939 27.087 19.885 1.00 0.00 H new ATOM 0 HD11 LEU A 43 34.223 28.029 17.599 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.427 26.438 17.536 1.00 0.00 H new ATOM 0 HD13 LEU A 43 32.465 27.923 17.342 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.855 29.534 19.544 1.00 0.00 H new ATOM 0 HD22 LEU A 43 32.102 29.437 19.256 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.763 29.035 20.858 1.00 0.00 H new ATOM 699 N ILE A 44 29.027 26.449 21.354 1.00 0.00 N ATOM 700 CA ILE A 44 27.884 25.547 21.698 1.00 0.00 C ATOM 701 C ILE A 44 26.972 25.422 20.476 1.00 0.00 C ATOM 702 O ILE A 44 26.597 26.409 19.868 1.00 0.00 O ATOM 703 CB ILE A 44 27.079 26.155 22.851 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.974 26.331 24.092 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.896 25.236 23.189 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.607 24.996 24.518 1.00 0.00 C ATOM 0 H ILE A 44 28.753 27.368 21.006 1.00 0.00 H new ATOM 0 HA ILE A 44 28.265 24.569 21.992 1.00 0.00 H new ATOM 0 HB ILE A 44 26.706 27.133 22.548 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.759 27.056 23.877 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.384 26.735 24.914 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.323 25.668 24.009 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.255 25.131 22.314 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.270 24.256 23.484 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.233 25.154 25.396 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.820 24.280 24.757 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.217 24.606 23.703 1.00 0.00 H new ATOM 718 N PHE A 45 26.617 24.221 20.102 1.00 0.00 N ATOM 719 CA PHE A 45 25.736 24.030 18.918 1.00 0.00 C ATOM 720 C PHE A 45 24.885 22.769 19.119 1.00 0.00 C ATOM 721 O PHE A 45 25.389 21.664 19.127 1.00 0.00 O ATOM 722 CB PHE A 45 26.611 23.874 17.667 1.00 0.00 C ATOM 723 CG PHE A 45 25.770 23.408 16.501 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.148 24.342 15.667 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.618 22.040 16.259 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.369 23.906 14.587 1.00 0.00 C ATOM 727 CE2 PHE A 45 24.841 21.602 15.180 1.00 0.00 C ATOM 728 CZ PHE A 45 24.215 22.536 14.344 1.00 0.00 C ATOM 0 H PHE A 45 26.902 23.361 20.570 1.00 0.00 H new ATOM 0 HA PHE A 45 25.078 24.891 18.797 1.00 0.00 H new ATOM 0 HB2 PHE A 45 27.087 24.824 17.426 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.410 23.157 17.859 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.268 25.399 15.855 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.100 21.321 16.904 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.888 24.627 13.942 1.00 0.00 H new ATOM 0 HE2 PHE A 45 24.724 20.545 14.992 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.614 22.199 13.512 1.00 0.00 H new ATOM 738 N ALA A 46 23.599 22.932 19.277 1.00 0.00 N ATOM 739 CA ALA A 46 22.707 21.751 19.468 1.00 0.00 C ATOM 740 C ALA A 46 23.126 20.957 20.712 1.00 0.00 C ATOM 741 O ALA A 46 22.928 19.760 20.785 1.00 0.00 O ATOM 742 CB ALA A 46 22.789 20.846 18.235 1.00 0.00 C ATOM 0 H ALA A 46 23.126 23.836 19.282 1.00 0.00 H new ATOM 0 HA ALA A 46 21.684 22.102 19.603 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.138 19.983 18.373 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.471 21.403 17.353 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.816 20.508 18.100 1.00 0.00 H new ATOM 748 N GLY A 47 23.690 21.606 21.695 1.00 0.00 N ATOM 749 CA GLY A 47 24.100 20.874 22.932 1.00 0.00 C ATOM 750 C GLY A 47 25.451 20.189 22.714 1.00 0.00 C ATOM 751 O GLY A 47 25.930 19.466 23.566 1.00 0.00 O ATOM 0 H GLY A 47 23.885 22.607 21.697 1.00 0.00 H new ATOM 0 HA2 GLY A 47 24.166 21.568 23.770 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.345 20.132 23.192 1.00 0.00 H new ATOM 755 N LYS A 48 26.070 20.413 21.582 1.00 0.00 N ATOM 756 CA LYS A 48 27.401 19.784 21.293 1.00 0.00 C ATOM 757 C LYS A 48 28.397 20.878 20.914 1.00 0.00 C ATOM 758 O LYS A 48 28.034 21.879 20.334 1.00 0.00 O ATOM 759 CB LYS A 48 27.254 18.807 20.132 1.00 0.00 C ATOM 760 CG LYS A 48 26.262 17.706 20.511 1.00 0.00 C ATOM 761 CD LYS A 48 26.120 16.723 19.347 1.00 0.00 C ATOM 762 CE LYS A 48 25.066 15.669 19.694 1.00 0.00 C ATOM 763 NZ LYS A 48 25.504 14.902 20.893 1.00 0.00 N ATOM 0 H LYS A 48 25.709 21.010 20.838 1.00 0.00 H new ATOM 0 HA LYS A 48 27.758 19.251 22.174 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.907 19.333 19.243 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.222 18.370 19.886 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.607 17.183 21.403 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.293 18.143 20.752 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.832 17.256 18.441 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.077 16.242 19.144 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.107 16.149 19.887 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.921 14.994 18.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.968 14.013 20.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.519 14.690 20.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.331 15.467 21.749 1.00 0.00 H new ATOM 777 N GLN A 49 29.656 20.699 21.226 1.00 0.00 N ATOM 778 CA GLN A 49 30.676 21.726 20.878 1.00 0.00 C ATOM 779 C GLN A 49 31.397 21.310 19.595 1.00 0.00 C ATOM 780 O GLN A 49 31.317 20.173 19.173 1.00 0.00 O ATOM 781 CB GLN A 49 31.685 21.842 22.014 1.00 0.00 C ATOM 782 CG GLN A 49 30.948 21.918 23.351 1.00 0.00 C ATOM 783 CD GLN A 49 31.956 22.145 24.478 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.571 23.191 24.559 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.153 21.204 25.360 1.00 0.00 N ATOM 0 H GLN A 49 30.020 19.878 21.710 1.00 0.00 H new ATOM 0 HA GLN A 49 30.189 22.689 20.725 1.00 0.00 H new ATOM 0 HB2 GLN A 49 32.357 20.983 22.006 1.00 0.00 H new ATOM 0 HB3 GLN A 49 32.302 22.730 21.877 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.220 22.729 23.331 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.393 20.996 23.525 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.638 20.326 25.293 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.822 21.346 26.117 1.00 0.00 H new ATOM 794 N LEU A 50 32.105 22.218 18.970 1.00 0.00 N ATOM 795 CA LEU A 50 32.841 21.873 17.711 1.00 0.00 C ATOM 796 C LEU A 50 34.324 21.680 18.032 1.00 0.00 C ATOM 797 O LEU A 50 35.015 22.606 18.408 1.00 0.00 O ATOM 798 CB LEU A 50 32.687 23.017 16.706 1.00 0.00 C ATOM 799 CG LEU A 50 31.218 23.445 16.630 1.00 0.00 C ATOM 800 CD1 LEU A 50 31.072 24.575 15.610 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.353 22.253 16.204 1.00 0.00 C ATOM 0 H LEU A 50 32.206 23.185 19.277 1.00 0.00 H new ATOM 0 HA LEU A 50 32.434 20.955 17.287 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.307 23.862 17.005 1.00 0.00 H new ATOM 0 HB3 LEU A 50 33.034 22.699 15.723 1.00 0.00 H new ATOM 0 HG LEU A 50 30.891 23.793 17.610 1.00 0.00 H new ATOM 0 HD11 LEU A 50 30.028 24.882 15.554 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.683 25.424 15.917 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.401 24.226 14.631 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.309 22.562 16.151 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.677 21.900 15.225 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.457 21.449 16.933 1.00 0.00 H new ATOM 813 N GLU A 51 34.821 20.478 17.886 1.00 0.00 N ATOM 814 CA GLU A 51 36.261 20.216 18.183 1.00 0.00 C ATOM 815 C GLU A 51 37.081 20.341 16.896 1.00 0.00 C ATOM 816 O GLU A 51 36.570 20.178 15.806 1.00 0.00 O ATOM 817 CB GLU A 51 36.413 18.801 18.744 1.00 0.00 C ATOM 818 CG GLU A 51 35.563 18.659 20.008 1.00 0.00 C ATOM 819 CD GLU A 51 36.125 19.563 21.106 1.00 0.00 C ATOM 820 OE1 GLU A 51 37.280 19.941 21.001 1.00 0.00 O ATOM 821 OE2 GLU A 51 35.391 19.862 22.034 1.00 0.00 O ATOM 0 H GLU A 51 34.290 19.665 17.573 1.00 0.00 H new ATOM 0 HA GLU A 51 36.619 20.941 18.914 1.00 0.00 H new ATOM 0 HB2 GLU A 51 36.102 18.068 18.000 1.00 0.00 H new ATOM 0 HB3 GLU A 51 37.460 18.599 18.972 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.528 18.928 19.795 1.00 0.00 H new ATOM 0 HG3 GLU A 51 35.560 17.622 20.342 1.00 0.00 H new ATOM 828 N ASP A 52 38.348 20.625 17.015 1.00 0.00 N ATOM 829 CA ASP A 52 39.201 20.759 15.800 1.00 0.00 C ATOM 830 C ASP A 52 39.421 19.380 15.177 1.00 0.00 C ATOM 831 O ASP A 52 39.318 18.365 15.838 1.00 0.00 O ATOM 832 CB ASP A 52 40.553 21.363 16.191 1.00 0.00 C ATOM 833 CG ASP A 52 41.272 20.423 17.159 1.00 0.00 C ATOM 834 OD1 ASP A 52 40.721 19.376 17.457 1.00 0.00 O ATOM 835 OD2 ASP A 52 42.362 20.767 17.586 1.00 0.00 O ATOM 0 H ASP A 52 38.831 20.770 17.902 1.00 0.00 H new ATOM 0 HA ASP A 52 38.706 21.409 15.078 1.00 0.00 H new ATOM 0 HB2 ASP A 52 41.163 21.522 15.302 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.407 22.338 16.656 1.00 0.00 H new ATOM 840 N GLY A 53 39.722 19.333 13.906 1.00 0.00 N ATOM 841 CA GLY A 53 39.946 18.017 13.239 1.00 0.00 C ATOM 842 C GLY A 53 38.600 17.417 12.830 1.00 0.00 C ATOM 843 O GLY A 53 38.352 16.241 13.006 1.00 0.00 O ATOM 0 H GLY A 53 39.822 20.148 13.301 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.581 18.145 12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.468 17.339 13.914 1.00 0.00 H new ATOM 847 N ARG A 54 37.727 18.219 12.283 1.00 0.00 N ATOM 848 CA ARG A 54 36.397 17.691 11.865 1.00 0.00 C ATOM 849 C ARG A 54 35.744 18.651 10.867 1.00 0.00 C ATOM 850 O ARG A 54 35.985 19.843 10.885 1.00 0.00 O ATOM 851 CB ARG A 54 35.503 17.540 13.099 1.00 0.00 C ATOM 852 CG ARG A 54 34.189 16.851 12.710 1.00 0.00 C ATOM 853 CD ARG A 54 33.503 16.303 13.964 1.00 0.00 C ATOM 854 NE ARG A 54 33.556 17.326 15.046 1.00 0.00 N ATOM 855 CZ ARG A 54 33.439 16.965 16.295 1.00 0.00 C ATOM 856 NH1 ARG A 54 33.490 17.862 17.242 1.00 0.00 N ATOM 857 NH2 ARG A 54 33.272 15.706 16.598 1.00 0.00 N ATOM 0 H ARG A 54 37.876 19.213 12.108 1.00 0.00 H new ATOM 0 HA ARG A 54 36.527 16.720 11.387 1.00 0.00 H new ATOM 0 HB2 ARG A 54 36.018 16.957 13.863 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.296 18.519 13.531 1.00 0.00 H new ATOM 0 HG2 ARG A 54 33.532 17.559 12.204 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.386 16.041 12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 54 32.467 16.046 13.742 1.00 0.00 H new ATOM 0 HD3 ARG A 54 33.996 15.387 14.290 1.00 0.00 H new ATOM 0 HE ARG A 54 33.684 18.310 14.810 1.00 0.00 H new ATOM 0 HH11 ARG A 54 33.621 18.846 17.006 1.00 0.00 H new ATOM 0 HH12 ARG A 54 33.398 17.579 18.218 1.00 0.00 H new ATOM 0 HH21 ARG A 54 33.233 15.004 15.859 1.00 0.00 H new ATOM 0 HH22 ARG A 54 33.181 15.424 17.574 1.00 0.00 H new ATOM 871 N THR A 55 34.916 18.130 9.995 1.00 0.00 N ATOM 872 CA THR A 55 34.223 18.982 8.975 1.00 0.00 C ATOM 873 C THR A 55 32.712 18.916 9.212 1.00 0.00 C ATOM 874 O THR A 55 32.232 18.095 9.968 1.00 0.00 O ATOM 875 CB THR A 55 34.544 18.443 7.576 1.00 0.00 C ATOM 876 OG1 THR A 55 35.950 18.471 7.372 1.00 0.00 O ATOM 877 CG2 THR A 55 33.859 19.309 6.514 1.00 0.00 C ATOM 0 H THR A 55 34.687 17.137 9.945 1.00 0.00 H new ATOM 0 HA THR A 55 34.561 20.015 9.058 1.00 0.00 H new ATOM 0 HB THR A 55 34.180 17.419 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.158 18.125 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.091 18.920 5.522 1.00 0.00 H new ATOM 0 HG22 THR A 55 32.780 19.288 6.668 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.218 20.335 6.595 1.00 0.00 H new ATOM 885 N LEU A 56 31.957 19.769 8.574 1.00 0.00 N ATOM 886 CA LEU A 56 30.479 19.739 8.772 1.00 0.00 C ATOM 887 C LEU A 56 29.936 18.398 8.267 1.00 0.00 C ATOM 888 O LEU A 56 29.081 17.791 8.883 1.00 0.00 O ATOM 889 CB LEU A 56 29.826 20.891 7.997 1.00 0.00 C ATOM 890 CG LEU A 56 29.995 22.208 8.773 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.473 22.614 8.798 1.00 0.00 C ATOM 892 CD2 LEU A 56 29.178 23.311 8.092 1.00 0.00 C ATOM 0 H LEU A 56 32.297 20.481 7.928 1.00 0.00 H new ATOM 0 HA LEU A 56 30.248 19.853 9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.280 20.980 7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.767 20.683 7.843 1.00 0.00 H new ATOM 0 HG LEU A 56 29.643 22.067 9.795 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.585 23.548 9.349 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.057 21.833 9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 56 31.830 22.751 7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 56 29.298 24.245 8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 56 29.529 23.445 7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 56 28.125 23.029 8.080 1.00 0.00 H new ATOM 904 N SER A 57 30.445 17.915 7.166 1.00 0.00 N ATOM 905 CA SER A 57 29.971 16.601 6.653 1.00 0.00 C ATOM 906 C SER A 57 30.283 15.547 7.713 1.00 0.00 C ATOM 907 O SER A 57 29.445 14.753 8.091 1.00 0.00 O ATOM 908 CB SER A 57 30.700 16.260 5.353 1.00 0.00 C ATOM 909 OG SER A 57 30.337 17.200 4.350 1.00 0.00 O ATOM 0 H SER A 57 31.164 18.371 6.604 1.00 0.00 H new ATOM 0 HA SER A 57 28.900 16.633 6.451 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.778 16.278 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.442 15.251 5.032 1.00 0.00 H new ATOM 0 HG SER A 57 30.804 16.985 3.516 1.00 0.00 H new ATOM 915 N ASP A 58 31.493 15.550 8.198 1.00 0.00 N ATOM 916 CA ASP A 58 31.880 14.566 9.247 1.00 0.00 C ATOM 917 C ASP A 58 30.885 14.664 10.403 1.00 0.00 C ATOM 918 O ASP A 58 30.597 13.692 11.075 1.00 0.00 O ATOM 919 CB ASP A 58 33.290 14.888 9.753 1.00 0.00 C ATOM 920 CG ASP A 58 34.321 14.465 8.704 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.940 13.791 7.762 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.477 14.823 8.863 1.00 0.00 O ATOM 0 H ASP A 58 32.232 16.193 7.913 1.00 0.00 H new ATOM 0 HA ASP A 58 31.870 13.557 8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.380 15.955 9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.478 14.368 10.692 1.00 0.00 H new ATOM 927 N TYR A 59 30.344 15.833 10.634 1.00 0.00 N ATOM 928 CA TYR A 59 29.355 15.997 11.737 1.00 0.00 C ATOM 929 C TYR A 59 28.031 15.352 11.304 1.00 0.00 C ATOM 930 O TYR A 59 27.164 15.093 12.112 1.00 0.00 O ATOM 931 CB TYR A 59 29.156 17.508 12.022 1.00 0.00 C ATOM 932 CG TYR A 59 29.736 17.879 13.374 1.00 0.00 C ATOM 933 CD1 TYR A 59 30.926 18.616 13.454 1.00 0.00 C ATOM 934 CD2 TYR A 59 29.077 17.487 14.544 1.00 0.00 C ATOM 935 CE1 TYR A 59 31.453 18.958 14.705 1.00 0.00 C ATOM 936 CE2 TYR A 59 29.605 17.829 15.794 1.00 0.00 C ATOM 937 CZ TYR A 59 30.792 18.565 15.876 1.00 0.00 C ATOM 938 OH TYR A 59 31.311 18.902 17.109 1.00 0.00 O ATOM 0 H TYR A 59 30.546 16.681 10.104 1.00 0.00 H new ATOM 0 HA TYR A 59 29.710 15.514 12.647 1.00 0.00 H new ATOM 0 HB2 TYR A 59 29.636 18.097 11.241 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.094 17.751 11.997 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.436 18.920 12.551 1.00 0.00 H new ATOM 0 HD2 TYR A 59 28.160 16.920 14.483 1.00 0.00 H new ATOM 0 HE1 TYR A 59 32.370 19.525 14.767 1.00 0.00 H new ATOM 0 HE2 TYR A 59 29.096 17.524 16.696 1.00 0.00 H new ATOM 0 HH TYR A 59 30.641 19.403 17.620 1.00 0.00 H new ATOM 948 N ASN A 60 27.880 15.097 10.031 1.00 0.00 N ATOM 949 CA ASN A 60 26.625 14.469 9.519 1.00 0.00 C ATOM 950 C ASN A 60 25.464 15.462 9.637 1.00 0.00 C ATOM 951 O ASN A 60 24.492 15.218 10.324 1.00 0.00 O ATOM 952 CB ASN A 60 26.310 13.195 10.325 1.00 0.00 C ATOM 953 CG ASN A 60 25.427 12.259 9.493 1.00 0.00 C ATOM 954 OD1 ASN A 60 25.570 12.179 8.289 1.00 0.00 O ATOM 955 ND2 ASN A 60 24.514 11.541 10.090 1.00 0.00 N ATOM 0 H ASN A 60 28.579 15.299 9.317 1.00 0.00 H new ATOM 0 HA ASN A 60 26.761 14.201 8.471 1.00 0.00 H new ATOM 0 HB2 ASN A 60 27.236 12.689 10.599 1.00 0.00 H new ATOM 0 HB3 ASN A 60 25.804 13.457 11.254 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.922 10.914 9.546 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.393 11.607 11.101 1.00 0.00 H new ATOM 962 N ILE A 61 25.556 16.575 8.960 1.00 0.00 N ATOM 963 CA ILE A 61 24.463 17.582 9.015 1.00 0.00 C ATOM 964 C ILE A 61 23.395 17.200 7.979 1.00 0.00 C ATOM 965 O ILE A 61 23.651 17.165 6.792 1.00 0.00 O ATOM 966 CB ILE A 61 25.062 18.973 8.722 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.970 19.967 8.305 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.099 18.865 7.601 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.861 20.004 9.364 1.00 0.00 C ATOM 0 H ILE A 61 26.347 16.829 8.368 1.00 0.00 H new ATOM 0 HA ILE A 61 23.996 17.608 9.999 1.00 0.00 H new ATOM 0 HB ILE A 61 25.535 19.337 9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.400 20.961 8.182 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.553 19.678 7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.519 19.850 7.398 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.896 18.187 7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.622 18.481 6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 61 22.090 20.712 9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 61 22.422 19.012 9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.281 20.315 10.320 1.00 0.00 H new ATOM 981 N GLN A 62 22.204 16.898 8.422 1.00 0.00 N ATOM 982 CA GLN A 62 21.124 16.501 7.467 1.00 0.00 C ATOM 983 C GLN A 62 20.331 17.733 7.018 1.00 0.00 C ATOM 984 O GLN A 62 19.925 17.835 5.878 1.00 0.00 O ATOM 985 CB GLN A 62 20.178 15.519 8.160 1.00 0.00 C ATOM 986 CG GLN A 62 20.947 14.253 8.543 1.00 0.00 C ATOM 987 CD GLN A 62 20.003 13.270 9.239 1.00 0.00 C ATOM 988 OE1 GLN A 62 18.999 12.876 8.679 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.285 12.855 10.443 1.00 0.00 N ATOM 0 H GLN A 62 21.930 16.909 9.405 1.00 0.00 H new ATOM 0 HA GLN A 62 21.577 16.033 6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.747 15.979 9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.349 15.268 7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.376 13.793 7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.777 14.505 9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.128 13.186 10.912 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.663 12.199 10.915 1.00 0.00 H new ATOM 998 N LYS A 63 20.091 18.665 7.903 1.00 0.00 N ATOM 999 CA LYS A 63 19.309 19.874 7.511 1.00 0.00 C ATOM 1000 C LYS A 63 20.129 20.749 6.560 1.00 0.00 C ATOM 1001 O LYS A 63 19.590 21.407 5.693 1.00 0.00 O ATOM 1002 CB LYS A 63 18.957 20.677 8.765 1.00 0.00 C ATOM 1003 CG LYS A 63 17.963 19.886 9.617 1.00 0.00 C ATOM 1004 CD LYS A 63 17.611 20.691 10.870 1.00 0.00 C ATOM 1005 CE LYS A 63 16.581 19.921 11.699 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.174 18.631 12.155 1.00 0.00 N ATOM 0 H LYS A 63 20.401 18.642 8.875 1.00 0.00 H new ATOM 0 HA LYS A 63 18.397 19.559 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.859 20.886 9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 63 18.527 21.639 8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.061 19.676 9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.393 18.925 9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.508 20.873 11.462 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.212 21.666 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.272 20.516 12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.687 19.733 11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.626 18.262 12.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.151 17.943 11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.159 18.787 12.450 1.00 0.00 H new ATOM 1020 N GLU A 64 21.427 20.755 6.712 1.00 0.00 N ATOM 1021 CA GLU A 64 22.290 21.587 5.815 1.00 0.00 C ATOM 1022 C GLU A 64 21.665 22.971 5.618 1.00 0.00 C ATOM 1023 O GLU A 64 21.982 23.679 4.682 1.00 0.00 O ATOM 1024 CB GLU A 64 22.425 20.894 4.458 1.00 0.00 C ATOM 1025 CG GLU A 64 23.178 19.572 4.631 1.00 0.00 C ATOM 1026 CD GLU A 64 23.293 18.868 3.278 1.00 0.00 C ATOM 1027 OE1 GLU A 64 22.709 19.360 2.325 1.00 0.00 O ATOM 1028 OE2 GLU A 64 23.961 17.850 3.217 1.00 0.00 O ATOM 0 H GLU A 64 21.930 20.219 7.419 1.00 0.00 H new ATOM 0 HA GLU A 64 23.273 21.702 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.439 20.710 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 64 22.958 21.539 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.171 19.758 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.654 18.933 5.342 1.00 0.00 H new HETATM 1035 N SEP A 65 20.774 23.363 6.490 1.00 0.00 N HETATM 1036 CA SEP A 65 20.125 24.699 6.349 1.00 0.00 C HETATM 1037 CB SEP A 65 18.778 24.688 7.073 1.00 0.00 C HETATM 1038 OG SEP A 65 18.999 24.700 8.477 1.00 0.00 O HETATM 1039 C SEP A 65 21.024 25.774 6.965 1.00 0.00 C HETATM 1040 O SEP A 65 22.132 25.505 7.382 1.00 0.00 O HETATM 1041 P SEP A 65 17.812 24.861 9.441 1.00 0.00 P HETATM 1042 O1P SEP A 65 18.440 24.851 10.875 1.00 0.00 O HETATM 1043 O2P SEP A 65 17.154 26.231 9.061 1.00 0.00 O HETATM 1044 O3P SEP A 65 16.884 23.629 9.161 1.00 0.00 O HETATM 0 HB3 SEP A 65 18.187 25.555 6.779 1.00 0.00 H new HETATM 0 HB2 SEP A 65 18.208 23.803 6.791 1.00 0.00 H new HETATM 0 HA SEP A 65 19.971 24.917 5.292 1.00 0.00 H new HETATM 0 H SEP A 65 20.306 22.621 7.011 1.00 0.00 H new HETATM 1049 N TPO A 66 20.553 26.990 7.026 1.00 0.00 N HETATM 1050 CA TPO A 66 21.381 28.080 7.616 1.00 0.00 C HETATM 1051 CB TPO A 66 20.521 29.334 7.797 1.00 0.00 C HETATM 1052 CG2 TPO A 66 19.960 29.771 6.443 1.00 0.00 C HETATM 1053 OG1 TPO A 66 19.449 29.046 8.687 1.00 0.00 O HETATM 1054 P TPO A 66 18.733 30.185 9.430 1.00 0.00 P HETATM 1055 O1P TPO A 66 19.168 30.039 10.927 1.00 0.00 O HETATM 1056 O2P TPO A 66 17.204 29.931 9.200 1.00 0.00 O HETATM 1057 O3P TPO A 66 19.248 31.505 8.762 1.00 0.00 O HETATM 1058 C TPO A 66 21.919 27.630 8.973 1.00 0.00 C HETATM 1059 O TPO A 66 21.201 27.582 9.952 1.00 0.00 O HETATM 0 HG23 TPO A 66 20.782 29.991 5.762 1.00 0.00 H new HETATM 0 HG22 TPO A 66 19.349 28.970 6.027 1.00 0.00 H new HETATM 0 HG21 TPO A 66 19.348 30.664 6.574 1.00 0.00 H new HETATM 0 HB TPO A 66 21.131 30.137 8.210 1.00 0.00 H new HETATM 0 HA TPO A 66 22.214 28.305 6.951 1.00 0.00 H new HETATM 0 H TPO A 66 19.570 27.156 6.811 1.00 0.00 H new ATOM 1066 N LEU A 67 23.178 27.293 9.041 1.00 0.00 N ATOM 1067 CA LEU A 67 23.760 26.840 10.336 1.00 0.00 C ATOM 1068 C LEU A 67 24.104 28.056 11.196 1.00 0.00 C ATOM 1069 O LEU A 67 24.593 29.056 10.709 1.00 0.00 O ATOM 1070 CB LEU A 67 25.032 26.031 10.070 1.00 0.00 C ATOM 1071 CG LEU A 67 24.757 24.967 9.003 1.00 0.00 C ATOM 1072 CD1 LEU A 67 26.050 24.201 8.707 1.00 0.00 C ATOM 1073 CD2 LEU A 67 23.687 23.987 9.509 1.00 0.00 C ATOM 0 H LEU A 67 23.829 27.312 8.256 1.00 0.00 H new ATOM 0 HA LEU A 67 23.034 26.217 10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.832 26.693 9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.371 25.557 10.991 1.00 0.00 H new ATOM 0 HG LEU A 67 24.400 25.451 8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.858 23.443 7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.809 24.894 8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.405 23.720 9.619 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.495 23.232 8.746 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.039 23.502 10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.766 24.531 9.721 1.00 0.00 H new ATOM 1085 N HIS A 68 23.851 27.971 12.479 1.00 0.00 N ATOM 1086 CA HIS A 68 24.156 29.109 13.404 1.00 0.00 C ATOM 1087 C HIS A 68 25.037 28.601 14.547 1.00 0.00 C ATOM 1088 O HIS A 68 24.763 27.577 15.139 1.00 0.00 O ATOM 1089 CB HIS A 68 22.849 29.659 13.979 1.00 0.00 C ATOM 1090 CG HIS A 68 22.120 28.563 14.706 1.00 0.00 C ATOM 1091 ND1 HIS A 68 22.430 28.206 16.011 1.00 0.00 N ATOM 1092 CD2 HIS A 68 21.092 27.733 14.325 1.00 0.00 C ATOM 1093 CE1 HIS A 68 21.605 27.203 16.365 1.00 0.00 C ATOM 1094 NE2 HIS A 68 20.773 26.879 15.374 1.00 0.00 N ATOM 0 H HIS A 68 23.442 27.153 12.930 1.00 0.00 H new ATOM 0 HA HIS A 68 24.675 29.898 12.860 1.00 0.00 H new ATOM 0 HB2 HIS A 68 23.058 30.485 14.659 1.00 0.00 H new ATOM 0 HB3 HIS A 68 22.225 30.056 13.178 1.00 0.00 H new ATOM 0 HD2 HIS A 68 20.607 27.743 13.360 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.615 26.721 17.331 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.054 26.156 15.384 1.00 0.00 H new ATOM 1103 N LEU A 69 26.089 29.317 14.863 1.00 0.00 N ATOM 1104 CA LEU A 69 27.003 28.900 15.975 1.00 0.00 C ATOM 1105 C LEU A 69 26.941 29.961 17.079 1.00 0.00 C ATOM 1106 O LEU A 69 27.110 31.137 16.824 1.00 0.00 O ATOM 1107 CB LEU A 69 28.445 28.800 15.435 1.00 0.00 C ATOM 1108 CG LEU A 69 28.716 27.392 14.886 1.00 0.00 C ATOM 1109 CD1 LEU A 69 27.667 27.026 13.827 1.00 0.00 C ATOM 1110 CD2 LEU A 69 30.114 27.359 14.259 1.00 0.00 C ATOM 0 H LEU A 69 26.357 30.182 14.393 1.00 0.00 H new ATOM 0 HA LEU A 69 26.699 27.932 16.372 1.00 0.00 H new ATOM 0 HB2 LEU A 69 28.597 29.539 14.649 1.00 0.00 H new ATOM 0 HB3 LEU A 69 29.154 29.030 16.230 1.00 0.00 H new ATOM 0 HG LEU A 69 28.659 26.670 15.701 1.00 0.00 H new ATOM 0 HD11 LEU A 69 27.869 26.025 13.445 1.00 0.00 H new ATOM 0 HD12 LEU A 69 26.674 27.049 14.275 1.00 0.00 H new ATOM 0 HD13 LEU A 69 27.712 27.743 13.007 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.313 26.362 13.867 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.166 28.085 13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.858 27.607 15.016 1.00 0.00 H new ATOM 1122 N VAL A 70 26.689 29.557 18.300 1.00 0.00 N ATOM 1123 CA VAL A 70 26.603 30.547 19.421 1.00 0.00 C ATOM 1124 C VAL A 70 27.874 30.476 20.264 1.00 0.00 C ATOM 1125 O VAL A 70 28.226 29.438 20.792 1.00 0.00 O ATOM 1126 CB VAL A 70 25.398 30.205 20.299 1.00 0.00 C ATOM 1127 CG1 VAL A 70 25.316 31.193 21.463 1.00 0.00 C ATOM 1128 CG2 VAL A 70 24.117 30.297 19.464 1.00 0.00 C ATOM 0 H VAL A 70 26.539 28.585 18.570 1.00 0.00 H new ATOM 0 HA VAL A 70 26.493 31.552 19.013 1.00 0.00 H new ATOM 0 HB VAL A 70 25.509 29.193 20.688 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.457 30.948 22.088 1.00 0.00 H new ATOM 0 HG12 VAL A 70 26.227 31.131 22.058 1.00 0.00 H new ATOM 0 HG13 VAL A 70 25.205 32.205 21.074 1.00 0.00 H new ATOM 0 HG21 VAL A 70 23.257 30.053 20.088 1.00 0.00 H new ATOM 0 HG22 VAL A 70 24.008 31.309 19.075 1.00 0.00 H new ATOM 0 HG23 VAL A 70 24.173 29.594 18.633 1.00 0.00 H new ATOM 1138 N LEU A 71 28.578 31.570 20.387 1.00 0.00 N ATOM 1139 CA LEU A 71 29.835 31.568 21.185 1.00 0.00 C ATOM 1140 C LEU A 71 29.497 31.672 22.669 1.00 0.00 C ATOM 1141 O LEU A 71 28.496 32.245 23.052 1.00 0.00 O ATOM 1142 CB LEU A 71 30.717 32.760 20.794 1.00 0.00 C ATOM 1143 CG LEU A 71 30.640 33.019 19.292 1.00 0.00 C ATOM 1144 CD1 LEU A 71 31.552 34.197 18.964 1.00 0.00 C ATOM 1145 CD2 LEU A 71 31.117 31.792 18.514 1.00 0.00 C ATOM 0 H LEU A 71 28.334 32.467 19.967 1.00 0.00 H new ATOM 0 HA LEU A 71 30.372 30.641 20.986 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.398 33.649 21.338 1.00 0.00 H new ATOM 0 HB3 LEU A 71 31.750 32.564 21.082 1.00 0.00 H new ATOM 0 HG LEU A 71 29.609 33.234 19.012 1.00 0.00 H new ATOM 0 HD11 LEU A 71 31.513 34.400 17.894 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.220 35.078 19.513 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.576 33.955 19.250 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.056 31.993 17.444 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.150 31.569 18.783 1.00 0.00 H new ATOM 0 HD23 LEU A 71 30.486 30.938 18.759 1.00 0.00 H new ATOM 1157 N ARG A 72 30.334 31.127 23.505 1.00 0.00 N ATOM 1158 CA ARG A 72 30.092 31.184 24.979 1.00 0.00 C ATOM 1159 C ARG A 72 31.420 31.484 25.678 1.00 0.00 C ATOM 1160 O ARG A 72 32.469 31.091 25.207 1.00 0.00 O ATOM 1161 CB ARG A 72 29.559 29.824 25.455 1.00 0.00 C ATOM 1162 CG ARG A 72 28.885 29.964 26.842 1.00 0.00 C ATOM 1163 CD ARG A 72 27.385 30.266 26.689 1.00 0.00 C ATOM 1164 NE ARG A 72 27.201 31.638 26.136 1.00 0.00 N ATOM 1165 CZ ARG A 72 26.082 31.961 25.545 1.00 0.00 C ATOM 1166 NH1 ARG A 72 25.922 33.164 25.065 1.00 0.00 N ATOM 1167 NH2 ARG A 72 25.124 31.082 25.436 1.00 0.00 N ATOM 0 H ARG A 72 31.186 30.638 23.230 1.00 0.00 H new ATOM 0 HA ARG A 72 29.363 31.960 25.213 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.842 29.434 24.733 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.377 29.105 25.512 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.020 29.045 27.412 1.00 0.00 H new ATOM 0 HG3 ARG A 72 29.366 30.763 27.407 1.00 0.00 H new ATOM 0 HD2 ARG A 72 26.922 29.533 26.029 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.887 30.184 27.655 1.00 0.00 H new ATOM 0 HE ARG A 72 27.950 32.325 26.219 1.00 0.00 H new ATOM 0 HH11 ARG A 72 26.671 33.851 25.151 1.00 0.00 H new ATOM 0 HH12 ARG A 72 25.048 33.417 24.603 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.249 30.142 25.812 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.250 31.335 24.974 1.00 0.00 H new ATOM 1181 N LEU A 73 31.390 32.172 26.794 1.00 0.00 N ATOM 1182 CA LEU A 73 32.658 32.496 27.529 1.00 0.00 C ATOM 1183 C LEU A 73 32.669 31.747 28.861 1.00 0.00 C ATOM 1184 O LEU A 73 31.655 31.613 29.515 1.00 0.00 O ATOM 1185 CB LEU A 73 32.720 34.011 27.787 1.00 0.00 C ATOM 1186 CG LEU A 73 31.586 34.450 28.760 1.00 0.00 C ATOM 1187 CD1 LEU A 73 32.137 34.622 30.184 1.00 0.00 C ATOM 1188 CD2 LEU A 73 30.986 35.787 28.301 1.00 0.00 C ATOM 0 H LEU A 73 30.539 32.526 27.231 1.00 0.00 H new ATOM 0 HA LEU A 73 33.520 32.194 26.934 1.00 0.00 H new ATOM 0 HB2 LEU A 73 33.690 34.274 28.209 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.626 34.550 26.844 1.00 0.00 H new ATOM 0 HG LEU A 73 30.818 33.677 28.757 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.332 34.929 30.851 1.00 0.00 H new ATOM 0 HD12 LEU A 73 32.554 33.676 30.530 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.917 35.383 30.183 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.194 36.085 28.988 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.764 36.550 28.291 1.00 0.00 H new ATOM 0 HD23 LEU A 73 30.574 35.676 27.298 1.00 0.00 H new ATOM 1200 N ARG A 74 33.809 31.260 29.271 1.00 0.00 N ATOM 1201 CA ARG A 74 33.878 30.524 30.566 1.00 0.00 C ATOM 1202 C ARG A 74 33.730 31.521 31.719 1.00 0.00 C ATOM 1203 O ARG A 74 32.960 31.316 32.635 1.00 0.00 O ATOM 1204 CB ARG A 74 35.231 29.799 30.668 1.00 0.00 C ATOM 1205 CG ARG A 74 35.179 28.460 29.906 1.00 0.00 C ATOM 1206 CD ARG A 74 34.636 27.354 30.819 1.00 0.00 C ATOM 1207 NE ARG A 74 34.252 26.170 29.997 1.00 0.00 N ATOM 1208 CZ ARG A 74 33.078 26.118 29.426 1.00 0.00 C ATOM 1209 NH1 ARG A 74 32.745 25.076 28.714 1.00 0.00 N ATOM 1210 NH2 ARG A 74 32.238 27.107 29.565 1.00 0.00 N ATOM 0 H ARG A 74 34.692 31.339 28.767 1.00 0.00 H new ATOM 0 HA ARG A 74 33.074 29.789 30.620 1.00 0.00 H new ATOM 0 HB2 ARG A 74 36.020 30.428 30.257 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.478 29.620 31.715 1.00 0.00 H new ATOM 0 HG2 ARG A 74 34.545 28.559 29.025 1.00 0.00 H new ATOM 0 HG3 ARG A 74 36.176 28.194 29.553 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.391 27.071 31.552 1.00 0.00 H new ATOM 0 HD3 ARG A 74 33.772 27.719 31.375 1.00 0.00 H new ATOM 0 HE ARG A 74 34.908 25.398 29.880 1.00 0.00 H new ATOM 0 HH11 ARG A 74 33.401 24.303 28.604 1.00 0.00 H new ATOM 0 HH12 ARG A 74 31.829 25.035 28.268 1.00 0.00 H new ATOM 0 HH21 ARG A 74 32.498 27.922 30.120 1.00 0.00 H new ATOM 0 HH22 ARG A 74 31.322 27.065 29.118 1.00 0.00 H new ATOM 1224 N GLY A 75 34.463 32.600 31.680 1.00 0.00 N ATOM 1225 CA GLY A 75 34.363 33.608 32.773 1.00 0.00 C ATOM 1226 C GLY A 75 34.955 33.030 34.060 1.00 0.00 C ATOM 1227 O GLY A 75 34.742 33.545 35.138 1.00 0.00 O ATOM 0 H GLY A 75 35.126 32.827 30.939 1.00 0.00 H new ATOM 0 HA2 GLY A 75 34.895 34.517 32.493 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.321 33.884 32.932 1.00 0.00 H new ATOM 1231 N GLY A 76 35.700 31.963 33.955 1.00 0.00 N ATOM 1232 CA GLY A 76 36.304 31.355 35.173 1.00 0.00 C ATOM 1233 C GLY A 76 36.949 30.015 34.811 1.00 0.00 C ATOM 1234 O GLY A 76 37.103 29.195 35.701 1.00 0.00 O ATOM 1235 OXT GLY A 76 37.277 29.832 33.650 1.00 0.00 O ATOM 0 H GLY A 76 35.916 31.487 33.079 1.00 0.00 H new ATOM 0 HA2 GLY A 76 37.051 32.027 35.595 1.00 0.00 H new ATOM 0 HA3 GLY A 76 35.539 31.208 35.936 1.00 0.00 H new TER 1239 GLY A 76