USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot 39:sc= 0.905 USER MOD Set 1.2: A 57 SER OG : rot -61:sc= 0.0699 USER MOD Set 2.1: A 25 ASN : amide:sc= -3.22! C(o=-5.5!,f=-14!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 167:sc= -2.28! (180deg=-0.876) USER MOD Set 3.1: A 7 THR OG1 : rot -170:sc= 0.413 USER MOD Set 3.2: A 9 THR OG1 : rot -26:sc= 0.33 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.012 (180deg=-1.12) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.07 (180deg=-0.119) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.0167 (180deg=-0.26) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -73:sc= 1.97 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.342 USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= -2.98 (180deg=-6.69!) USER MOD Single : A 31 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.063) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= -7.61! C(o=-7.6!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.043) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 60 ASN : amide:sc= -1.16 K(o=-1.2,f=0.46) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.106) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.748 31.305 2.492 1.00 0.00 N ATOM 2 CA MET A 1 32.839 32.575 3.266 1.00 0.00 C ATOM 3 C MET A 1 33.601 32.322 4.560 1.00 0.00 C ATOM 4 O MET A 1 33.636 31.198 5.061 1.00 0.00 O ATOM 5 CB MET A 1 31.430 33.089 3.576 1.00 0.00 C ATOM 6 CG MET A 1 30.675 32.059 4.421 1.00 0.00 C ATOM 7 SD MET A 1 28.907 32.463 4.427 1.00 0.00 S ATOM 8 CE MET A 1 28.580 32.129 6.177 1.00 0.00 C ATOM 0 H1 MET A 1 31.900 31.325 1.890 1.00 0.00 H new ATOM 0 H2 MET A 1 33.594 31.201 1.896 1.00 0.00 H new ATOM 0 H3 MET A 1 32.687 30.501 3.149 1.00 0.00 H new ATOM 0 HA MET A 1 33.368 33.326 2.680 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.489 34.038 4.110 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.890 33.278 2.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.829 31.058 4.017 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.062 32.055 5.440 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.527 31.883 6.310 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.193 31.291 6.508 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.823 33.012 6.768 1.00 0.00 H new ATOM 20 N GLN A 2 34.211 33.374 5.103 1.00 0.00 N ATOM 21 CA GLN A 2 34.977 33.266 6.345 1.00 0.00 C ATOM 22 C GLN A 2 34.331 34.105 7.447 1.00 0.00 C ATOM 23 O GLN A 2 33.573 35.034 7.172 1.00 0.00 O ATOM 24 CB GLN A 2 36.405 33.759 6.105 1.00 0.00 C ATOM 25 CG GLN A 2 37.071 32.908 5.021 1.00 0.00 C ATOM 26 CD GLN A 2 38.492 33.405 4.768 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.778 34.588 4.957 1.00 0.00 O ATOM 28 NE2 GLN A 2 39.403 32.567 4.352 1.00 0.00 N ATOM 0 H GLN A 2 34.190 34.312 4.703 1.00 0.00 H new ATOM 0 HA GLN A 2 34.991 32.222 6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.392 34.806 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.980 33.702 7.029 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.092 31.863 5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.490 32.957 4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 2 39.163 31.588 4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 2 40.355 32.891 4.183 1.00 0.00 H new ATOM 37 N ILE A 3 34.667 33.783 8.690 1.00 0.00 N ATOM 38 CA ILE A 3 34.147 34.521 9.840 1.00 0.00 C ATOM 39 C ILE A 3 35.077 34.364 11.027 1.00 0.00 C ATOM 40 O ILE A 3 36.044 33.607 10.977 1.00 0.00 O ATOM 41 CB ILE A 3 32.729 34.059 10.226 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.689 32.522 10.361 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.721 34.540 9.170 1.00 0.00 C ATOM 44 CD1 ILE A 3 31.249 32.013 10.233 1.00 0.00 C ATOM 0 H ILE A 3 35.296 33.017 8.930 1.00 0.00 H new ATOM 0 HA ILE A 3 34.091 35.571 9.554 1.00 0.00 H new ATOM 0 HB ILE A 3 32.459 34.493 11.189 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.312 32.066 9.592 1.00 0.00 H new ATOM 0 HG13 ILE A 3 33.103 32.224 11.324 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.719 34.211 9.447 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.743 35.628 9.115 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.985 34.122 8.198 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.237 30.927 10.330 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.636 32.455 11.019 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.849 32.294 9.259 1.00 0.00 H new ATOM 56 N PHE A 4 34.776 35.093 12.096 1.00 0.00 N ATOM 57 CA PHE A 4 35.590 35.048 13.312 1.00 0.00 C ATOM 58 C PHE A 4 34.799 34.440 14.462 1.00 0.00 C ATOM 59 O PHE A 4 33.611 34.719 14.625 1.00 0.00 O ATOM 60 CB PHE A 4 36.017 36.463 13.693 1.00 0.00 C ATOM 61 CG PHE A 4 36.826 37.075 12.575 1.00 0.00 C ATOM 62 CD1 PHE A 4 36.183 37.781 11.550 1.00 0.00 C ATOM 63 CD2 PHE A 4 38.220 36.946 12.567 1.00 0.00 C ATOM 64 CE1 PHE A 4 36.935 38.358 10.519 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.971 37.522 11.535 1.00 0.00 C ATOM 66 CZ PHE A 4 38.328 38.229 10.511 1.00 0.00 C ATOM 0 H PHE A 4 33.975 35.723 12.148 1.00 0.00 H new ATOM 0 HA PHE A 4 36.468 34.432 13.120 1.00 0.00 H new ATOM 0 HB2 PHE A 4 35.138 37.075 13.895 1.00 0.00 H new ATOM 0 HB3 PHE A 4 36.607 36.440 14.609 1.00 0.00 H new ATOM 0 HD1 PHE A 4 35.108 37.880 11.555 1.00 0.00 H new ATOM 0 HD2 PHE A 4 38.716 36.402 13.357 1.00 0.00 H new ATOM 0 HE1 PHE A 4 36.439 38.903 9.729 1.00 0.00 H new ATOM 0 HE2 PHE A 4 40.046 37.421 11.529 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.907 38.674 9.716 1.00 0.00 H new ATOM 76 N VAL A 5 35.473 33.623 15.273 1.00 0.00 N ATOM 77 CA VAL A 5 34.838 32.987 16.422 1.00 0.00 C ATOM 78 C VAL A 5 35.449 33.529 17.700 1.00 0.00 C ATOM 79 O VAL A 5 36.667 33.505 17.886 1.00 0.00 O ATOM 80 CB VAL A 5 35.018 31.464 16.349 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.628 30.823 17.688 1.00 0.00 C ATOM 82 CG2 VAL A 5 34.112 30.909 15.247 1.00 0.00 C ATOM 0 H VAL A 5 36.458 33.388 15.153 1.00 0.00 H new ATOM 0 HA VAL A 5 33.771 33.209 16.414 1.00 0.00 H new ATOM 0 HB VAL A 5 36.061 31.235 16.132 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.759 29.743 17.626 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.262 31.221 18.480 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.585 31.050 17.910 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.233 29.827 15.187 1.00 0.00 H new ATOM 0 HG22 VAL A 5 33.073 31.146 15.476 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.384 31.358 14.292 1.00 0.00 H new ATOM 92 N LYS A 6 34.588 34.037 18.564 1.00 0.00 N ATOM 93 CA LYS A 6 35.016 34.620 19.834 1.00 0.00 C ATOM 94 C LYS A 6 34.667 33.692 20.994 1.00 0.00 C ATOM 95 O LYS A 6 33.527 33.245 21.115 1.00 0.00 O ATOM 96 CB LYS A 6 34.307 35.961 20.020 1.00 0.00 C ATOM 97 CG LYS A 6 34.990 36.767 21.121 1.00 0.00 C ATOM 98 CD LYS A 6 34.358 38.161 21.178 1.00 0.00 C ATOM 99 CE LYS A 6 35.133 39.042 22.160 1.00 0.00 C ATOM 100 NZ LYS A 6 35.022 38.472 23.532 1.00 0.00 N ATOM 0 H LYS A 6 33.580 34.060 18.412 1.00 0.00 H new ATOM 0 HA LYS A 6 36.097 34.762 19.820 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.322 36.522 19.085 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.260 35.795 20.276 1.00 0.00 H new ATOM 0 HG2 LYS A 6 34.879 36.263 22.081 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.059 36.845 20.923 1.00 0.00 H new ATOM 0 HD2 LYS A 6 34.364 38.614 20.186 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.316 38.085 21.488 1.00 0.00 H new ATOM 0 HE2 LYS A 6 36.180 39.102 21.863 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.738 40.058 22.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 35.353 39.172 24.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 34.030 38.231 23.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 35.606 37.614 23.600 1.00 0.00 H new ATOM 114 N THR A 7 35.651 33.407 21.854 1.00 0.00 N ATOM 115 CA THR A 7 35.426 32.533 23.009 1.00 0.00 C ATOM 116 C THR A 7 35.371 33.351 24.293 1.00 0.00 C ATOM 117 O THR A 7 35.492 34.577 24.270 1.00 0.00 O ATOM 118 CB THR A 7 36.548 31.492 23.114 1.00 0.00 C ATOM 119 OG1 THR A 7 37.761 32.138 23.476 1.00 0.00 O ATOM 120 CG2 THR A 7 36.724 30.784 21.769 1.00 0.00 C ATOM 0 H THR A 7 36.603 33.765 21.773 1.00 0.00 H new ATOM 0 HA THR A 7 34.473 32.022 22.871 1.00 0.00 H new ATOM 0 HB THR A 7 36.288 30.756 23.875 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.506 31.507 23.390 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.522 30.046 21.848 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.794 30.285 21.496 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.982 31.516 21.004 1.00 0.00 H new ATOM 128 N LEU A 8 35.207 32.673 25.420 1.00 0.00 N ATOM 129 CA LEU A 8 35.149 33.363 26.701 1.00 0.00 C ATOM 130 C LEU A 8 36.519 33.934 27.076 1.00 0.00 C ATOM 131 O LEU A 8 36.606 34.945 27.774 1.00 0.00 O ATOM 132 CB LEU A 8 34.660 32.398 27.800 1.00 0.00 C ATOM 133 CG LEU A 8 34.596 33.125 29.153 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.625 34.307 29.060 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.112 32.152 30.239 1.00 0.00 C ATOM 0 H LEU A 8 35.113 31.659 25.475 1.00 0.00 H new ATOM 0 HA LEU A 8 34.445 34.191 26.612 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.675 32.009 27.541 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.333 31.543 27.869 1.00 0.00 H new ATOM 0 HG LEU A 8 35.590 33.492 29.409 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.583 34.820 30.021 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.969 35.001 28.293 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.632 33.942 28.799 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.067 32.669 31.197 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.120 31.782 29.980 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.805 31.314 30.311 1.00 0.00 H new ATOM 147 N THR A 9 37.586 33.280 26.627 1.00 0.00 N ATOM 148 CA THR A 9 38.934 33.742 26.946 1.00 0.00 C ATOM 149 C THR A 9 39.317 34.936 26.077 1.00 0.00 C ATOM 150 O THR A 9 40.475 35.356 26.066 1.00 0.00 O ATOM 151 CB THR A 9 39.949 32.615 26.744 1.00 0.00 C ATOM 152 OG1 THR A 9 39.979 32.244 25.373 1.00 0.00 O ATOM 153 CG2 THR A 9 39.551 31.406 27.592 1.00 0.00 C ATOM 0 H THR A 9 37.546 32.440 26.049 1.00 0.00 H new ATOM 0 HA THR A 9 38.944 34.049 27.992 1.00 0.00 H new ATOM 0 HB THR A 9 40.937 32.960 27.049 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.117 32.456 24.958 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.276 30.605 27.446 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.531 31.690 28.644 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.562 31.060 27.291 1.00 0.00 H new ATOM 161 N GLY A 10 38.341 35.495 25.361 1.00 0.00 N ATOM 162 CA GLY A 10 38.603 36.655 24.517 1.00 0.00 C ATOM 163 C GLY A 10 39.510 36.289 23.350 1.00 0.00 C ATOM 164 O GLY A 10 40.187 37.148 22.786 1.00 0.00 O ATOM 0 H GLY A 10 37.375 35.167 25.349 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.662 37.054 24.139 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.068 37.443 25.110 1.00 0.00 H new ATOM 168 N LYS A 11 39.508 35.013 22.982 1.00 0.00 N ATOM 169 CA LYS A 11 40.326 34.545 21.865 1.00 0.00 C ATOM 170 C LYS A 11 39.549 34.700 20.568 1.00 0.00 C ATOM 171 O LYS A 11 38.374 34.338 20.496 1.00 0.00 O ATOM 172 CB LYS A 11 40.700 33.073 22.063 1.00 0.00 C ATOM 173 CG LYS A 11 41.755 32.659 21.028 1.00 0.00 C ATOM 174 CD LYS A 11 42.158 31.200 21.266 1.00 0.00 C ATOM 175 CE LYS A 11 43.144 30.750 20.185 1.00 0.00 C ATOM 176 NZ LYS A 11 43.422 29.293 20.342 1.00 0.00 N ATOM 0 H LYS A 11 38.954 34.287 23.436 1.00 0.00 H new ATOM 0 HA LYS A 11 41.238 35.140 21.821 1.00 0.00 H new ATOM 0 HB2 LYS A 11 41.086 32.919 23.071 1.00 0.00 H new ATOM 0 HB3 LYS A 11 39.814 32.447 21.962 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.358 32.778 20.020 1.00 0.00 H new ATOM 0 HG3 LYS A 11 42.629 33.306 21.105 1.00 0.00 H new ATOM 0 HD2 LYS A 11 42.612 31.095 22.251 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.274 30.562 21.253 1.00 0.00 H new ATOM 0 HE2 LYS A 11 42.731 30.948 19.196 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.071 31.319 20.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 44.092 28.986 19.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 43.833 29.117 21.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 42.535 28.758 20.247 1.00 0.00 H new ATOM 190 N THR A 12 40.211 35.221 19.534 1.00 0.00 N ATOM 191 CA THR A 12 39.573 35.404 18.229 1.00 0.00 C ATOM 192 C THR A 12 40.277 34.544 17.195 1.00 0.00 C ATOM 193 O THR A 12 41.482 34.668 16.979 1.00 0.00 O ATOM 194 CB THR A 12 39.640 36.871 17.800 1.00 0.00 C ATOM 195 OG1 THR A 12 39.068 37.687 18.811 1.00 0.00 O ATOM 196 CG2 THR A 12 38.861 37.053 16.491 1.00 0.00 C ATOM 0 H THR A 12 41.185 35.523 19.574 1.00 0.00 H new ATOM 0 HA THR A 12 38.527 35.108 18.307 1.00 0.00 H new ATOM 0 HB THR A 12 40.680 37.160 17.648 1.00 0.00 H new ATOM 0 HG1 THR A 12 39.113 38.627 18.537 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.907 38.097 16.183 1.00 0.00 H new ATOM 0 HG22 THR A 12 39.301 36.426 15.716 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.821 36.765 16.644 1.00 0.00 H new ATOM 204 N ILE A 13 39.510 33.673 16.556 1.00 0.00 N ATOM 205 CA ILE A 13 40.054 32.781 15.534 1.00 0.00 C ATOM 206 C ILE A 13 39.181 32.816 14.295 1.00 0.00 C ATOM 207 O ILE A 13 37.956 32.913 14.386 1.00 0.00 O ATOM 208 CB ILE A 13 40.147 31.356 16.072 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.838 30.469 15.036 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.744 30.820 16.350 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.103 29.089 15.640 1.00 0.00 C ATOM 0 H ILE A 13 38.510 33.562 16.724 1.00 0.00 H new ATOM 0 HA ILE A 13 41.055 33.120 15.269 1.00 0.00 H new ATOM 0 HB ILE A 13 40.723 31.353 16.998 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.213 30.375 14.148 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.776 30.925 14.719 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.813 29.802 16.734 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.252 31.454 17.088 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.165 30.821 15.427 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.596 28.457 14.901 1.00 0.00 H new ATOM 0 HD12 ILE A 13 41.745 29.192 16.515 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.158 28.633 15.935 1.00 0.00 H new ATOM 223 N THR A 14 39.819 32.740 13.136 1.00 0.00 N ATOM 224 CA THR A 14 39.091 32.774 11.871 1.00 0.00 C ATOM 225 C THR A 14 38.904 31.367 11.323 1.00 0.00 C ATOM 226 O THR A 14 39.826 30.552 11.334 1.00 0.00 O ATOM 227 CB THR A 14 39.838 33.640 10.856 1.00 0.00 C ATOM 228 OG1 THR A 14 40.228 34.856 11.481 1.00 0.00 O ATOM 229 CG2 THR A 14 38.915 33.946 9.670 1.00 0.00 C ATOM 0 H THR A 14 40.831 32.655 13.043 1.00 0.00 H new ATOM 0 HA THR A 14 38.107 33.208 12.050 1.00 0.00 H new ATOM 0 HB THR A 14 40.722 33.111 10.499 1.00 0.00 H new ATOM 0 HG1 THR A 14 39.441 35.426 11.608 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.446 34.563 8.945 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.609 33.013 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.033 34.480 10.024 1.00 0.00 H new ATOM 237 N LEU A 15 37.689 31.096 10.855 1.00 0.00 N ATOM 238 CA LEU A 15 37.331 29.785 10.307 1.00 0.00 C ATOM 239 C LEU A 15 36.795 29.944 8.881 1.00 0.00 C ATOM 240 O LEU A 15 36.134 30.933 8.561 1.00 0.00 O ATOM 241 CB LEU A 15 36.248 29.152 11.213 1.00 0.00 C ATOM 242 CG LEU A 15 36.823 28.011 12.067 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.930 28.547 12.989 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.694 27.414 12.915 1.00 0.00 C ATOM 0 H LEU A 15 36.926 31.773 10.843 1.00 0.00 H new ATOM 0 HA LEU A 15 38.210 29.142 10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.824 29.917 11.864 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.434 28.771 10.596 1.00 0.00 H new ATOM 0 HG LEU A 15 37.248 27.247 11.416 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.330 27.730 13.590 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.728 28.979 12.386 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.517 29.312 13.646 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.088 26.602 13.526 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.277 28.186 13.562 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.912 27.028 12.261 1.00 0.00 H new ATOM 256 N GLU A 16 37.053 28.941 8.044 1.00 0.00 N ATOM 257 CA GLU A 16 36.564 28.952 6.660 1.00 0.00 C ATOM 258 C GLU A 16 35.386 27.998 6.551 1.00 0.00 C ATOM 259 O GLU A 16 35.508 26.814 6.864 1.00 0.00 O ATOM 260 CB GLU A 16 37.673 28.523 5.686 1.00 0.00 C ATOM 261 CG GLU A 16 37.204 28.739 4.243 1.00 0.00 C ATOM 262 CD GLU A 16 38.336 28.412 3.276 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.383 27.990 3.740 1.00 0.00 O ATOM 264 OE2 GLU A 16 38.138 28.586 2.085 1.00 0.00 O ATOM 0 H GLU A 16 37.594 28.114 8.294 1.00 0.00 H new ATOM 0 HA GLU A 16 36.255 29.964 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.579 29.099 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.924 27.474 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.341 28.107 4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.884 29.772 4.106 1.00 0.00 H new ATOM 271 N VAL A 17 34.236 28.517 6.127 1.00 0.00 N ATOM 272 CA VAL A 17 33.039 27.684 6.014 1.00 0.00 C ATOM 273 C VAL A 17 32.159 28.125 4.851 1.00 0.00 C ATOM 274 O VAL A 17 32.320 29.217 4.305 1.00 0.00 O ATOM 275 CB VAL A 17 32.239 27.726 7.339 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.203 27.836 8.522 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.288 28.924 7.360 1.00 0.00 C ATOM 0 H VAL A 17 34.107 29.493 5.860 1.00 0.00 H new ATOM 0 HA VAL A 17 33.358 26.660 5.818 1.00 0.00 H new ATOM 0 HB VAL A 17 31.657 26.808 7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.636 27.865 9.452 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.869 26.973 8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.792 28.748 8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.736 28.934 8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.862 29.846 7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.587 28.847 6.529 1.00 0.00 H new ATOM 287 N GLU A 18 31.206 27.267 4.502 1.00 0.00 N ATOM 288 CA GLU A 18 30.257 27.554 3.429 1.00 0.00 C ATOM 289 C GLU A 18 28.912 27.946 4.052 1.00 0.00 C ATOM 290 O GLU A 18 28.585 27.495 5.150 1.00 0.00 O ATOM 291 CB GLU A 18 30.078 26.314 2.549 1.00 0.00 C ATOM 292 CG GLU A 18 31.263 26.191 1.589 1.00 0.00 C ATOM 293 CD GLU A 18 31.046 25.014 0.645 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.065 25.034 -0.079 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.864 24.110 0.661 1.00 0.00 O ATOM 0 H GLU A 18 31.069 26.361 4.949 1.00 0.00 H new ATOM 0 HA GLU A 18 30.632 28.371 2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.006 25.422 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.147 26.386 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.375 27.112 1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.186 26.051 2.152 1.00 0.00 H new ATOM 302 N PRO A 19 28.138 28.770 3.398 1.00 0.00 N ATOM 303 CA PRO A 19 26.822 29.217 3.941 1.00 0.00 C ATOM 304 C PRO A 19 25.859 28.046 4.105 1.00 0.00 C ATOM 305 O PRO A 19 24.848 28.153 4.800 1.00 0.00 O ATOM 306 CB PRO A 19 26.318 30.227 2.895 1.00 0.00 C ATOM 307 CG PRO A 19 27.043 29.868 1.637 1.00 0.00 C ATOM 308 CD PRO A 19 28.408 29.358 2.076 1.00 0.00 C ATOM 0 HA PRO A 19 26.904 29.654 4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.238 30.155 2.764 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.535 31.251 3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.502 29.105 1.078 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.141 30.733 0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.805 28.619 1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.139 30.164 2.136 1.00 0.00 H new ATOM 316 N SER A 20 26.169 26.932 3.440 1.00 0.00 N ATOM 317 CA SER A 20 25.319 25.744 3.492 1.00 0.00 C ATOM 318 C SER A 20 25.875 24.705 4.463 1.00 0.00 C ATOM 319 O SER A 20 25.347 23.597 4.557 1.00 0.00 O ATOM 320 CB SER A 20 25.226 25.128 2.094 1.00 0.00 C ATOM 321 OG SER A 20 26.497 24.602 1.728 1.00 0.00 O ATOM 0 H SER A 20 27.002 26.829 2.860 1.00 0.00 H new ATOM 0 HA SER A 20 24.332 26.046 3.841 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.475 24.338 2.081 1.00 0.00 H new ATOM 0 HB3 SER A 20 24.909 25.881 1.372 1.00 0.00 H new ATOM 0 HG SER A 20 26.442 24.205 0.834 1.00 0.00 H new ATOM 327 N ASP A 21 26.930 25.059 5.190 1.00 0.00 N ATOM 328 CA ASP A 21 27.524 24.139 6.146 1.00 0.00 C ATOM 329 C ASP A 21 26.544 23.846 7.272 1.00 0.00 C ATOM 330 O ASP A 21 25.765 24.713 7.669 1.00 0.00 O ATOM 331 CB ASP A 21 28.815 24.754 6.707 1.00 0.00 C ATOM 332 CG ASP A 21 29.982 24.540 5.740 1.00 0.00 C ATOM 333 OD1 ASP A 21 29.814 23.801 4.786 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.030 25.108 5.978 1.00 0.00 O ATOM 0 H ASP A 21 27.386 25.970 5.135 1.00 0.00 H new ATOM 0 HA ASP A 21 27.761 23.200 5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.670 25.820 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.049 24.304 7.672 1.00 0.00 H new ATOM 339 N THR A 22 26.583 22.616 7.788 1.00 0.00 N ATOM 340 CA THR A 22 25.689 22.224 8.872 1.00 0.00 C ATOM 341 C THR A 22 26.364 22.473 10.211 1.00 0.00 C ATOM 342 O THR A 22 27.589 22.449 10.306 1.00 0.00 O ATOM 343 CB THR A 22 25.325 20.742 8.752 1.00 0.00 C ATOM 344 OG1 THR A 22 26.485 19.952 8.974 1.00 0.00 O ATOM 345 CG2 THR A 22 24.769 20.458 7.354 1.00 0.00 C ATOM 0 H THR A 22 27.219 21.882 7.474 1.00 0.00 H new ATOM 0 HA THR A 22 24.778 22.819 8.806 1.00 0.00 H new ATOM 0 HB THR A 22 24.568 20.494 9.496 1.00 0.00 H new ATOM 0 HG1 THR A 22 26.253 19.003 8.899 1.00 0.00 H new ATOM 0 HG21 THR A 22 24.511 19.402 7.273 1.00 0.00 H new ATOM 0 HG22 THR A 22 23.878 21.063 7.187 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.522 20.706 6.606 1.00 0.00 H new ATOM 353 N ILE A 23 25.565 22.711 11.241 1.00 0.00 N ATOM 354 CA ILE A 23 26.122 22.962 12.560 1.00 0.00 C ATOM 355 C ILE A 23 27.086 21.846 12.934 1.00 0.00 C ATOM 356 O ILE A 23 27.972 22.027 13.769 1.00 0.00 O ATOM 357 CB ILE A 23 25.000 23.054 13.598 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.896 23.995 13.094 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.561 23.591 14.914 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.502 25.321 12.621 1.00 0.00 C ATOM 0 H ILE A 23 24.547 22.735 11.191 1.00 0.00 H new ATOM 0 HA ILE A 23 26.662 23.909 12.542 1.00 0.00 H new ATOM 0 HB ILE A 23 24.581 22.060 13.757 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.352 23.523 12.275 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.175 24.180 13.890 1.00 0.00 H new ATOM 0 HG21 ILE A 23 24.761 23.656 15.651 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.338 22.919 15.279 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.985 24.582 14.751 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.708 25.978 12.266 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.025 25.798 13.450 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.205 25.131 11.810 1.00 0.00 H new ATOM 372 N GLU A 24 26.919 20.698 12.292 1.00 0.00 N ATOM 373 CA GLU A 24 27.791 19.559 12.547 1.00 0.00 C ATOM 374 C GLU A 24 29.149 19.779 11.878 1.00 0.00 C ATOM 375 O GLU A 24 30.185 19.778 12.542 1.00 0.00 O ATOM 376 CB GLU A 24 27.141 18.281 12.012 1.00 0.00 C ATOM 377 CG GLU A 24 27.979 17.068 12.422 1.00 0.00 C ATOM 378 CD GLU A 24 27.344 15.788 11.887 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.376 15.592 10.684 1.00 0.00 O ATOM 380 OE2 GLU A 24 26.834 15.025 12.690 1.00 0.00 O ATOM 0 H GLU A 24 26.193 20.531 11.595 1.00 0.00 H new ATOM 0 HA GLU A 24 27.942 19.458 13.622 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.128 18.185 12.403 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.060 18.329 10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.993 17.169 12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.055 17.019 13.508 1.00 0.00 H new ATOM 387 N ASN A 25 29.132 19.969 10.563 1.00 0.00 N ATOM 388 CA ASN A 25 30.358 20.193 9.813 1.00 0.00 C ATOM 389 C ASN A 25 31.160 21.339 10.425 1.00 0.00 C ATOM 390 O ASN A 25 32.379 21.254 10.562 1.00 0.00 O ATOM 391 CB ASN A 25 30.011 20.523 8.361 1.00 0.00 C ATOM 392 CG ASN A 25 31.282 20.729 7.548 1.00 0.00 C ATOM 393 OD1 ASN A 25 31.319 21.573 6.652 1.00 0.00 O ATOM 394 ND2 ASN A 25 32.332 20.000 7.805 1.00 0.00 N ATOM 0 H ASN A 25 28.283 19.972 9.997 1.00 0.00 H new ATOM 0 HA ASN A 25 30.965 19.288 9.850 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.421 19.715 7.928 1.00 0.00 H new ATOM 0 HB3 ASN A 25 29.396 21.422 8.322 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.187 20.128 7.263 1.00 0.00 H new ATOM 0 HD22 ASN A 25 32.299 19.302 8.548 1.00 0.00 H new ATOM 401 N VAL A 26 30.469 22.414 10.787 1.00 0.00 N ATOM 402 CA VAL A 26 31.143 23.567 11.374 1.00 0.00 C ATOM 403 C VAL A 26 31.778 23.188 12.710 1.00 0.00 C ATOM 404 O VAL A 26 32.886 23.621 13.025 1.00 0.00 O ATOM 405 CB VAL A 26 30.155 24.726 11.562 1.00 0.00 C ATOM 406 CG1 VAL A 26 30.894 25.924 12.153 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.561 25.115 10.206 1.00 0.00 C ATOM 0 H VAL A 26 29.459 22.512 10.687 1.00 0.00 H new ATOM 0 HA VAL A 26 31.931 23.891 10.694 1.00 0.00 H new ATOM 0 HB VAL A 26 29.354 24.419 12.235 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.197 26.751 12.289 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.322 25.648 13.117 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.692 26.230 11.476 1.00 0.00 H new ATOM 0 HG21 VAL A 26 28.859 25.938 10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.361 25.425 9.534 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.039 24.259 9.778 1.00 0.00 H new ATOM 417 N LYS A 27 31.079 22.369 13.489 1.00 0.00 N ATOM 418 CA LYS A 27 31.606 21.940 14.778 1.00 0.00 C ATOM 419 C LYS A 27 32.881 21.154 14.551 1.00 0.00 C ATOM 420 O LYS A 27 33.853 21.288 15.291 1.00 0.00 O ATOM 421 CB LYS A 27 30.571 21.076 15.512 1.00 0.00 C ATOM 422 CG LYS A 27 29.530 21.976 16.187 1.00 0.00 C ATOM 423 CD LYS A 27 30.077 22.485 17.529 1.00 0.00 C ATOM 424 CE LYS A 27 28.921 22.977 18.403 1.00 0.00 C ATOM 425 NZ LYS A 27 27.919 23.680 17.551 1.00 0.00 N ATOM 0 H LYS A 27 30.160 21.994 13.255 1.00 0.00 H new ATOM 0 HA LYS A 27 31.821 22.813 15.395 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.082 20.402 14.809 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.066 20.454 16.258 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.289 22.818 15.539 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.605 21.422 16.347 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.617 21.687 18.039 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.788 23.294 17.360 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.453 22.135 18.914 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.295 23.650 19.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.479 24.449 18.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.392 24.076 16.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.187 23.006 17.249 1.00 0.00 H new ATOM 439 N ALA A 28 32.864 20.346 13.504 1.00 0.00 N ATOM 440 CA ALA A 28 34.014 19.543 13.146 1.00 0.00 C ATOM 441 C ALA A 28 35.225 20.444 12.889 1.00 0.00 C ATOM 442 O ALA A 28 36.341 20.128 13.296 1.00 0.00 O ATOM 443 CB ALA A 28 33.687 18.738 11.886 1.00 0.00 C ATOM 0 H ALA A 28 32.061 20.231 12.886 1.00 0.00 H new ATOM 0 HA ALA A 28 34.253 18.864 13.964 1.00 0.00 H new ATOM 0 HB1 ALA A 28 34.548 18.130 11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 28 32.832 18.090 12.080 1.00 0.00 H new ATOM 0 HB3 ALA A 28 33.447 19.420 11.070 1.00 0.00 H new ATOM 449 N LYS A 29 34.981 21.577 12.234 1.00 0.00 N ATOM 450 CA LYS A 29 36.057 22.527 11.947 1.00 0.00 C ATOM 451 C LYS A 29 36.606 23.092 13.253 1.00 0.00 C ATOM 452 O LYS A 29 37.822 23.185 13.453 1.00 0.00 O ATOM 453 CB LYS A 29 35.544 23.684 11.076 1.00 0.00 C ATOM 454 CG LYS A 29 35.193 23.181 9.674 1.00 0.00 C ATOM 455 CD LYS A 29 34.686 24.351 8.821 1.00 0.00 C ATOM 456 CE LYS A 29 34.251 23.831 7.450 1.00 0.00 C ATOM 457 NZ LYS A 29 33.168 22.824 7.624 1.00 0.00 N ATOM 0 H LYS A 29 34.061 21.859 11.895 1.00 0.00 H new ATOM 0 HA LYS A 29 36.844 22.000 11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 29 34.665 24.134 11.538 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.304 24.463 11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.069 22.731 9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.430 22.405 9.735 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.849 24.842 9.318 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.471 25.098 8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.899 24.656 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.099 23.383 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 32.721 22.633 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.571 21.943 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 32.455 23.192 8.286 1.00 0.00 H new ATOM 471 N ILE A 30 35.693 23.450 14.151 1.00 0.00 N ATOM 472 CA ILE A 30 36.072 23.994 15.438 1.00 0.00 C ATOM 473 C ILE A 30 36.826 22.948 16.253 1.00 0.00 C ATOM 474 O ILE A 30 37.864 23.240 16.839 1.00 0.00 O ATOM 475 CB ILE A 30 34.812 24.451 16.182 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.195 25.641 15.437 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.182 24.874 17.604 1.00 0.00 C ATOM 478 CD1 ILE A 30 32.826 25.979 16.033 1.00 0.00 C ATOM 0 H ILE A 30 34.687 23.371 14.005 1.00 0.00 H new ATOM 0 HA ILE A 30 36.732 24.849 15.292 1.00 0.00 H new ATOM 0 HB ILE A 30 34.094 23.632 16.227 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.855 26.506 15.507 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.091 25.404 14.378 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.285 25.199 18.132 1.00 0.00 H new ATOM 0 HG22 ILE A 30 35.627 24.030 18.130 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.897 25.695 17.565 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.395 26.825 15.498 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.166 25.117 15.940 1.00 0.00 H new ATOM 0 HD13 ILE A 30 32.941 26.236 17.086 1.00 0.00 H new ATOM 490 N GLN A 31 36.299 21.732 16.286 1.00 0.00 N ATOM 491 CA GLN A 31 36.942 20.656 17.037 1.00 0.00 C ATOM 492 C GLN A 31 38.354 20.407 16.516 1.00 0.00 C ATOM 493 O GLN A 31 39.302 20.291 17.288 1.00 0.00 O ATOM 494 CB GLN A 31 36.128 19.364 16.912 1.00 0.00 C ATOM 495 CG GLN A 31 36.645 18.339 17.928 1.00 0.00 C ATOM 496 CD GLN A 31 35.944 17.000 17.726 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.584 16.012 17.367 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.660 16.908 17.939 1.00 0.00 N ATOM 0 H GLN A 31 35.438 21.465 15.809 1.00 0.00 H new ATOM 0 HA GLN A 31 36.993 20.958 18.083 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.072 19.568 17.089 1.00 0.00 H new ATOM 0 HB3 GLN A 31 36.211 18.965 15.901 1.00 0.00 H new ATOM 0 HG2 GLN A 31 37.722 18.215 17.815 1.00 0.00 H new ATOM 0 HG3 GLN A 31 36.470 18.700 18.941 1.00 0.00 H new ATOM 0 HE21 GLN A 31 34.132 17.729 18.236 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.184 16.015 17.808 1.00 0.00 H new ATOM 507 N ASP A 32 38.477 20.306 15.200 1.00 0.00 N ATOM 508 CA ASP A 32 39.770 20.049 14.581 1.00 0.00 C ATOM 509 C ASP A 32 40.810 21.095 14.988 1.00 0.00 C ATOM 510 O ASP A 32 41.992 20.777 15.118 1.00 0.00 O ATOM 511 CB ASP A 32 39.624 20.037 13.058 1.00 0.00 C ATOM 512 CG ASP A 32 38.870 18.787 12.616 1.00 0.00 C ATOM 513 OD1 ASP A 32 38.663 17.918 13.449 1.00 0.00 O ATOM 514 OD2 ASP A 32 38.512 18.714 11.452 1.00 0.00 O ATOM 0 H ASP A 32 37.702 20.397 14.543 1.00 0.00 H new ATOM 0 HA ASP A 32 40.117 19.076 14.929 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.091 20.929 12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.608 20.063 12.590 1.00 0.00 H new ATOM 519 N LYS A 33 40.381 22.346 15.159 1.00 0.00 N ATOM 520 CA LYS A 33 41.316 23.417 15.523 1.00 0.00 C ATOM 521 C LYS A 33 41.428 23.630 17.039 1.00 0.00 C ATOM 522 O LYS A 33 42.521 23.880 17.547 1.00 0.00 O ATOM 523 CB LYS A 33 40.880 24.729 14.862 1.00 0.00 C ATOM 524 CG LYS A 33 40.932 24.578 13.339 1.00 0.00 C ATOM 525 CD LYS A 33 40.768 25.952 12.683 1.00 0.00 C ATOM 526 CE LYS A 33 40.875 25.812 11.162 1.00 0.00 C ATOM 527 NZ LYS A 33 40.958 27.165 10.543 1.00 0.00 N ATOM 0 H LYS A 33 39.410 22.642 15.054 1.00 0.00 H new ATOM 0 HA LYS A 33 42.299 23.110 15.166 1.00 0.00 H new ATOM 0 HB2 LYS A 33 39.870 24.989 15.178 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.532 25.542 15.180 1.00 0.00 H new ATOM 0 HG2 LYS A 33 41.880 24.131 13.039 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.142 23.906 13.002 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.803 26.381 12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.534 26.635 13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 33 41.757 25.226 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 33 40.009 25.275 10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 41.031 27.070 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.104 27.709 10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 41.797 27.661 10.905 1.00 0.00 H new ATOM 541 N GLU A 34 40.306 23.568 17.760 1.00 0.00 N ATOM 542 CA GLU A 34 40.323 23.807 19.216 1.00 0.00 C ATOM 543 C GLU A 34 40.262 22.511 20.024 1.00 0.00 C ATOM 544 O GLU A 34 40.534 22.515 21.224 1.00 0.00 O ATOM 545 CB GLU A 34 39.141 24.703 19.605 1.00 0.00 C ATOM 546 CG GLU A 34 39.102 25.934 18.696 1.00 0.00 C ATOM 547 CD GLU A 34 40.350 26.783 18.912 1.00 0.00 C ATOM 548 OE1 GLU A 34 41.342 26.518 18.256 1.00 0.00 O ATOM 549 OE2 GLU A 34 40.296 27.685 19.731 1.00 0.00 O ATOM 0 H GLU A 34 39.386 23.358 17.373 1.00 0.00 H new ATOM 0 HA GLU A 34 41.268 24.296 19.451 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.208 24.147 19.519 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.234 25.011 20.646 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.039 25.624 17.653 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.210 26.524 18.907 1.00 0.00 H new ATOM 556 N GLY A 35 39.948 21.400 19.368 1.00 0.00 N ATOM 557 CA GLY A 35 39.896 20.110 20.054 1.00 0.00 C ATOM 558 C GLY A 35 38.703 20.000 21.011 1.00 0.00 C ATOM 559 O GLY A 35 38.628 19.057 21.799 1.00 0.00 O ATOM 0 H GLY A 35 39.727 21.363 18.373 1.00 0.00 H new ATOM 0 HA2 GLY A 35 39.839 19.311 19.315 1.00 0.00 H new ATOM 0 HA3 GLY A 35 40.820 19.962 20.613 1.00 0.00 H new ATOM 563 N ILE A 36 37.775 20.954 20.943 1.00 0.00 N ATOM 564 CA ILE A 36 36.599 20.934 21.806 1.00 0.00 C ATOM 565 C ILE A 36 35.476 20.096 21.161 1.00 0.00 C ATOM 566 O ILE A 36 35.131 20.326 20.000 1.00 0.00 O ATOM 567 CB ILE A 36 36.107 22.366 22.017 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.276 23.239 22.474 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.019 22.374 23.086 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.831 24.702 22.570 1.00 0.00 C ATOM 0 H ILE A 36 37.816 21.746 20.302 1.00 0.00 H new ATOM 0 HA ILE A 36 36.867 20.487 22.763 1.00 0.00 H new ATOM 0 HB ILE A 36 35.703 22.757 21.083 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.639 22.896 23.443 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.105 23.148 21.772 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.666 23.394 23.239 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.188 21.747 22.764 1.00 0.00 H new ATOM 0 HG23 ILE A 36 35.424 21.987 24.021 1.00 0.00 H new ATOM 0 HD11 ILE A 36 37.670 25.317 22.896 1.00 0.00 H new ATOM 0 HD12 ILE A 36 36.489 25.043 21.593 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.017 24.788 23.289 1.00 0.00 H new ATOM 582 N PRO A 37 34.896 19.137 21.863 1.00 0.00 N ATOM 583 CA PRO A 37 33.805 18.287 21.289 1.00 0.00 C ATOM 584 C PRO A 37 32.465 19.035 21.220 1.00 0.00 C ATOM 585 O PRO A 37 32.239 19.989 21.966 1.00 0.00 O ATOM 586 CB PRO A 37 33.732 17.098 22.259 1.00 0.00 C ATOM 587 CG PRO A 37 34.169 17.655 23.575 1.00 0.00 C ATOM 588 CD PRO A 37 35.193 18.755 23.261 1.00 0.00 C ATOM 0 HA PRO A 37 34.008 17.989 20.260 1.00 0.00 H new ATOM 0 HB2 PRO A 37 32.721 16.695 22.316 1.00 0.00 H new ATOM 0 HB3 PRO A 37 34.382 16.284 21.938 1.00 0.00 H new ATOM 0 HG2 PRO A 37 33.320 18.060 24.126 1.00 0.00 H new ATOM 0 HG3 PRO A 37 34.612 16.878 24.198 1.00 0.00 H new ATOM 0 HD2 PRO A 37 35.087 19.603 23.937 1.00 0.00 H new ATOM 0 HD3 PRO A 37 36.215 18.390 23.366 1.00 0.00 H new ATOM 596 N PRO A 38 31.571 18.619 20.352 1.00 0.00 N ATOM 597 CA PRO A 38 30.234 19.272 20.200 1.00 0.00 C ATOM 598 C PRO A 38 29.331 19.033 21.407 1.00 0.00 C ATOM 599 O PRO A 38 28.310 19.702 21.573 1.00 0.00 O ATOM 600 CB PRO A 38 29.659 18.616 18.937 1.00 0.00 C ATOM 601 CG PRO A 38 30.297 17.274 18.908 1.00 0.00 C ATOM 602 CD PRO A 38 31.721 17.488 19.420 1.00 0.00 C ATOM 0 HA PRO A 38 30.311 20.357 20.126 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.573 18.541 18.985 1.00 0.00 H new ATOM 0 HB3 PRO A 38 29.899 19.192 18.043 1.00 0.00 H new ATOM 0 HG2 PRO A 38 29.755 16.568 19.538 1.00 0.00 H new ATOM 0 HG3 PRO A 38 30.300 16.863 17.899 1.00 0.00 H new ATOM 0 HD2 PRO A 38 32.107 16.601 19.921 1.00 0.00 H new ATOM 0 HD3 PRO A 38 32.411 17.722 18.609 1.00 0.00 H new ATOM 610 N ASP A 39 29.714 18.083 22.250 1.00 0.00 N ATOM 611 CA ASP A 39 28.926 17.771 23.434 1.00 0.00 C ATOM 612 C ASP A 39 29.203 18.770 24.548 1.00 0.00 C ATOM 613 O ASP A 39 28.398 18.920 25.468 1.00 0.00 O ATOM 614 CB ASP A 39 29.249 16.356 23.922 1.00 0.00 C ATOM 615 CG ASP A 39 28.344 15.991 25.093 1.00 0.00 C ATOM 616 OD1 ASP A 39 27.148 15.868 24.877 1.00 0.00 O ATOM 617 OD2 ASP A 39 28.859 15.840 26.189 1.00 0.00 O ATOM 0 H ASP A 39 30.557 17.520 22.138 1.00 0.00 H new ATOM 0 HA ASP A 39 27.871 17.831 23.166 1.00 0.00 H new ATOM 0 HB2 ASP A 39 29.113 15.642 23.110 1.00 0.00 H new ATOM 0 HB3 ASP A 39 30.294 16.297 24.227 1.00 0.00 H new ATOM 622 N GLN A 40 30.352 19.447 24.478 1.00 0.00 N ATOM 623 CA GLN A 40 30.730 20.425 25.500 1.00 0.00 C ATOM 624 C GLN A 40 30.673 21.842 24.944 1.00 0.00 C ATOM 625 O GLN A 40 30.731 22.813 25.699 1.00 0.00 O ATOM 626 CB GLN A 40 32.154 20.141 25.982 1.00 0.00 C ATOM 627 CG GLN A 40 32.212 18.762 26.642 1.00 0.00 C ATOM 628 CD GLN A 40 31.438 18.781 27.956 1.00 0.00 C ATOM 629 OE1 GLN A 40 31.324 19.827 28.595 1.00 0.00 O ATOM 630 NE2 GLN A 40 30.895 17.679 28.399 1.00 0.00 N ATOM 0 H GLN A 40 31.034 19.336 23.727 1.00 0.00 H new ATOM 0 HA GLN A 40 30.027 20.340 26.328 1.00 0.00 H new ATOM 0 HB2 GLN A 40 32.847 20.182 25.142 1.00 0.00 H new ATOM 0 HB3 GLN A 40 32.467 20.907 26.691 1.00 0.00 H new ATOM 0 HG2 GLN A 40 31.791 18.011 25.973 1.00 0.00 H new ATOM 0 HG3 GLN A 40 33.249 18.480 26.825 1.00 0.00 H new ATOM 0 HE21 GLN A 40 30.991 16.814 27.868 1.00 0.00 H new ATOM 0 HE22 GLN A 40 30.375 17.684 29.276 1.00 0.00 H new ATOM 639 N GLN A 41 30.585 21.960 23.618 1.00 0.00 N ATOM 640 CA GLN A 41 30.550 23.278 22.964 1.00 0.00 C ATOM 641 C GLN A 41 29.146 23.642 22.497 1.00 0.00 C ATOM 642 O GLN A 41 28.438 22.828 21.903 1.00 0.00 O ATOM 643 CB GLN A 41 31.487 23.277 21.761 1.00 0.00 C ATOM 644 CG GLN A 41 31.533 24.675 21.145 1.00 0.00 C ATOM 645 CD GLN A 41 32.581 24.717 20.038 1.00 0.00 C ATOM 646 OE1 GLN A 41 32.251 24.975 18.881 1.00 0.00 O ATOM 647 NE2 GLN A 41 33.832 24.483 20.327 1.00 0.00 N ATOM 0 H GLN A 41 30.537 21.168 22.977 1.00 0.00 H new ATOM 0 HA GLN A 41 30.869 24.019 23.697 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.487 22.970 22.067 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.144 22.554 21.021 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.555 24.937 20.742 1.00 0.00 H new ATOM 0 HG3 GLN A 41 31.771 25.413 21.912 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.102 24.269 21.287 1.00 0.00 H new ATOM 0 HE22 GLN A 41 34.539 24.514 19.593 1.00 0.00 H new ATOM 656 N ARG A 42 28.774 24.894 22.754 1.00 0.00 N ATOM 657 CA ARG A 42 27.473 25.428 22.357 1.00 0.00 C ATOM 658 C ARG A 42 27.697 26.715 21.576 1.00 0.00 C ATOM 659 O ARG A 42 28.496 27.557 21.985 1.00 0.00 O ATOM 660 CB ARG A 42 26.615 25.715 23.603 1.00 0.00 C ATOM 661 CG ARG A 42 26.486 24.437 24.469 1.00 0.00 C ATOM 662 CD ARG A 42 25.070 24.334 25.050 1.00 0.00 C ATOM 663 NE ARG A 42 24.705 25.573 25.733 1.00 0.00 N ATOM 664 CZ ARG A 42 23.573 25.671 26.427 1.00 0.00 C ATOM 665 NH1 ARG A 42 23.265 26.791 27.022 1.00 0.00 N ATOM 666 NH2 ARG A 42 22.769 24.645 26.514 1.00 0.00 N ATOM 0 H ARG A 42 29.365 25.566 23.243 1.00 0.00 H new ATOM 0 HA ARG A 42 26.949 24.700 21.737 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.067 26.516 24.188 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.626 26.060 23.301 1.00 0.00 H new ATOM 0 HG2 ARG A 42 26.705 23.556 23.866 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.218 24.460 25.276 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.357 24.129 24.251 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.017 23.498 25.748 1.00 0.00 H new ATOM 0 HE ARG A 42 25.329 26.378 25.677 1.00 0.00 H new ATOM 0 HH11 ARG A 42 23.892 27.593 26.956 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.397 26.864 27.553 1.00 0.00 H new ATOM 0 HH21 ARG A 42 23.008 23.769 26.050 1.00 0.00 H new ATOM 0 HH22 ARG A 42 21.902 24.720 27.046 1.00 0.00 H new ATOM 680 N LEU A 43 27.004 26.872 20.445 1.00 0.00 N ATOM 681 CA LEU A 43 27.160 28.074 19.617 1.00 0.00 C ATOM 682 C LEU A 43 25.852 28.867 19.565 1.00 0.00 C ATOM 683 O LEU A 43 24.784 28.304 19.319 1.00 0.00 O ATOM 684 CB LEU A 43 27.569 27.674 18.195 1.00 0.00 C ATOM 685 CG LEU A 43 28.786 26.739 18.243 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.168 26.331 16.817 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.971 27.460 18.899 1.00 0.00 C ATOM 0 H LEU A 43 26.336 26.191 20.083 1.00 0.00 H new ATOM 0 HA LEU A 43 27.934 28.700 20.060 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.738 27.177 17.695 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.806 28.564 17.612 1.00 0.00 H new ATOM 0 HG LEU A 43 28.536 25.853 18.826 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.032 25.667 16.848 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.330 25.814 16.349 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.415 27.221 16.238 1.00 0.00 H new ATOM 0 HD21 LEU A 43 30.831 26.792 18.930 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.222 28.348 18.320 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.702 27.753 19.914 1.00 0.00 H new ATOM 699 N ILE A 44 25.942 30.183 19.805 1.00 0.00 N ATOM 700 CA ILE A 44 24.760 31.055 19.789 1.00 0.00 C ATOM 701 C ILE A 44 24.964 32.251 18.852 1.00 0.00 C ATOM 702 O ILE A 44 26.056 32.823 18.770 1.00 0.00 O ATOM 703 CB ILE A 44 24.467 31.552 21.205 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.591 30.375 22.184 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.047 32.132 21.262 1.00 0.00 C ATOM 706 CD1 ILE A 44 23.923 30.718 23.521 1.00 0.00 C ATOM 0 H ILE A 44 26.817 30.665 20.012 1.00 0.00 H new ATOM 0 HA ILE A 44 23.914 30.475 19.420 1.00 0.00 H new ATOM 0 HB ILE A 44 25.179 32.330 21.479 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.126 29.487 21.755 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.642 30.138 22.346 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.839 32.486 22.272 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.965 32.963 20.562 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.327 31.359 20.993 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.020 29.873 24.203 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.407 31.593 23.956 1.00 0.00 H new ATOM 0 HD13 ILE A 44 22.867 30.932 23.356 1.00 0.00 H new ATOM 718 N PHE A 45 23.886 32.624 18.170 1.00 0.00 N ATOM 719 CA PHE A 45 23.889 33.759 17.242 1.00 0.00 C ATOM 720 C PHE A 45 22.525 34.443 17.301 1.00 0.00 C ATOM 721 O PHE A 45 21.501 33.767 17.366 1.00 0.00 O ATOM 722 CB PHE A 45 24.146 33.271 15.814 1.00 0.00 C ATOM 723 CG PHE A 45 24.310 34.454 14.882 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.574 35.026 14.691 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.199 34.971 14.203 1.00 0.00 C ATOM 726 CE1 PHE A 45 25.726 36.116 13.824 1.00 0.00 C ATOM 727 CE2 PHE A 45 23.352 36.062 13.337 1.00 0.00 C ATOM 728 CZ PHE A 45 24.616 36.633 13.146 1.00 0.00 C ATOM 0 H PHE A 45 22.985 32.151 18.242 1.00 0.00 H new ATOM 0 HA PHE A 45 24.677 34.457 17.525 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.042 32.651 15.789 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.317 32.647 15.480 1.00 0.00 H new ATOM 0 HD1 PHE A 45 26.432 34.627 15.212 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.224 34.529 14.347 1.00 0.00 H new ATOM 0 HE1 PHE A 45 26.701 36.558 13.679 1.00 0.00 H new ATOM 0 HE2 PHE A 45 22.495 36.463 12.817 1.00 0.00 H new ATOM 0 HZ PHE A 45 24.734 37.472 12.476 1.00 0.00 H new ATOM 738 N ALA A 46 22.502 35.770 17.289 1.00 0.00 N ATOM 739 CA ALA A 46 21.228 36.475 17.354 1.00 0.00 C ATOM 740 C ALA A 46 20.438 35.967 18.556 1.00 0.00 C ATOM 741 O ALA A 46 19.217 35.807 18.504 1.00 0.00 O ATOM 742 CB ALA A 46 20.432 36.250 16.064 1.00 0.00 C ATOM 0 H ALA A 46 23.327 36.367 17.236 1.00 0.00 H new ATOM 0 HA ALA A 46 21.409 37.544 17.463 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.482 36.782 16.125 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.003 36.624 15.214 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.243 35.184 15.934 1.00 0.00 H new ATOM 748 N GLY A 47 21.169 35.732 19.641 1.00 0.00 N ATOM 749 CA GLY A 47 20.589 35.262 20.894 1.00 0.00 C ATOM 750 C GLY A 47 19.914 33.892 20.778 1.00 0.00 C ATOM 751 O GLY A 47 19.249 33.457 21.718 1.00 0.00 O ATOM 0 H GLY A 47 22.180 35.862 19.676 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.372 35.210 21.651 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.857 35.991 21.242 1.00 0.00 H new ATOM 755 N LYS A 48 20.076 33.206 19.639 1.00 0.00 N ATOM 756 CA LYS A 48 19.458 31.874 19.459 1.00 0.00 C ATOM 757 C LYS A 48 20.508 30.774 19.335 1.00 0.00 C ATOM 758 O LYS A 48 21.537 30.943 18.677 1.00 0.00 O ATOM 759 CB LYS A 48 18.587 31.849 18.206 1.00 0.00 C ATOM 760 CG LYS A 48 17.449 32.859 18.337 1.00 0.00 C ATOM 761 CD LYS A 48 16.615 32.825 17.055 1.00 0.00 C ATOM 762 CE LYS A 48 15.500 33.869 17.130 1.00 0.00 C ATOM 763 NZ LYS A 48 14.662 33.785 15.899 1.00 0.00 N ATOM 0 H LYS A 48 20.617 33.537 18.840 1.00 0.00 H new ATOM 0 HA LYS A 48 18.851 31.689 20.345 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.191 32.082 17.329 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.180 30.849 18.056 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.827 32.618 19.199 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.849 33.860 18.502 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.251 33.021 16.192 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.187 31.832 16.916 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.886 33.699 18.014 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.927 34.867 17.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.903 34.494 15.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.254 33.967 15.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.245 32.835 15.827 1.00 0.00 H new ATOM 777 N GLN A 49 20.217 29.632 19.954 1.00 0.00 N ATOM 778 CA GLN A 49 21.105 28.484 19.910 1.00 0.00 C ATOM 779 C GLN A 49 20.931 27.740 18.588 1.00 0.00 C ATOM 780 O GLN A 49 19.805 27.500 18.149 1.00 0.00 O ATOM 781 CB GLN A 49 20.785 27.539 21.073 1.00 0.00 C ATOM 782 CG GLN A 49 21.139 28.213 22.401 1.00 0.00 C ATOM 783 CD GLN A 49 20.692 27.335 23.567 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.465 27.091 24.495 1.00 0.00 O ATOM 785 NE2 GLN A 49 19.482 26.844 23.575 1.00 0.00 N ATOM 0 H GLN A 49 19.365 29.482 20.495 1.00 0.00 H new ATOM 0 HA GLN A 49 22.135 28.830 19.994 1.00 0.00 H new ATOM 0 HB2 GLN A 49 19.727 27.275 21.059 1.00 0.00 H new ATOM 0 HB3 GLN A 49 21.346 26.611 20.965 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.214 28.385 22.456 1.00 0.00 H new ATOM 0 HG3 GLN A 49 20.656 29.188 22.463 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.844 27.047 22.806 1.00 0.00 H new ATOM 0 HE22 GLN A 49 19.175 26.257 24.351 1.00 0.00 H new ATOM 794 N LEU A 50 22.041 27.390 17.950 1.00 0.00 N ATOM 795 CA LEU A 50 21.979 26.689 16.668 1.00 0.00 C ATOM 796 C LEU A 50 21.645 25.211 16.867 1.00 0.00 C ATOM 797 O LEU A 50 22.289 24.515 17.653 1.00 0.00 O ATOM 798 CB LEU A 50 23.313 26.830 15.931 1.00 0.00 C ATOM 799 CG LEU A 50 23.802 28.280 16.033 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.043 28.466 15.158 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.698 29.233 15.558 1.00 0.00 C ATOM 0 H LEU A 50 22.984 27.576 18.291 1.00 0.00 H new ATOM 0 HA LEU A 50 21.187 27.140 16.070 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.052 26.154 16.362 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.195 26.548 14.885 1.00 0.00 H new ATOM 0 HG LEU A 50 24.051 28.502 17.071 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.389 29.497 15.232 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.831 27.794 15.497 1.00 0.00 H new ATOM 0 HD13 LEU A 50 24.794 28.240 14.121 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.049 30.262 15.632 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.445 29.009 14.522 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.814 29.106 16.183 1.00 0.00 H new ATOM 813 N GLU A 51 20.616 24.747 16.154 1.00 0.00 N ATOM 814 CA GLU A 51 20.173 23.355 16.254 1.00 0.00 C ATOM 815 C GLU A 51 20.941 22.454 15.292 1.00 0.00 C ATOM 816 O GLU A 51 21.234 22.824 14.151 1.00 0.00 O ATOM 817 CB GLU A 51 18.671 23.263 15.944 1.00 0.00 C ATOM 818 CG GLU A 51 17.864 23.602 17.197 1.00 0.00 C ATOM 819 CD GLU A 51 16.378 23.676 16.861 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.061 23.821 15.691 1.00 0.00 O ATOM 821 OE2 GLU A 51 15.578 23.588 17.778 1.00 0.00 O ATOM 0 H GLU A 51 20.075 25.314 15.502 1.00 0.00 H new ATOM 0 HA GLU A 51 20.367 23.016 17.272 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.414 23.950 15.137 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.422 22.259 15.600 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.034 22.846 17.964 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.199 24.554 17.608 1.00 0.00 H new ATOM 828 N ASP A 52 21.241 21.253 15.765 1.00 0.00 N ATOM 829 CA ASP A 52 21.958 20.283 14.964 1.00 0.00 C ATOM 830 C ASP A 52 21.117 19.837 13.770 1.00 0.00 C ATOM 831 O ASP A 52 19.910 19.629 13.893 1.00 0.00 O ATOM 832 CB ASP A 52 22.315 19.066 15.823 1.00 0.00 C ATOM 833 CG ASP A 52 23.394 19.441 16.833 1.00 0.00 C ATOM 834 OD1 ASP A 52 24.013 20.477 16.654 1.00 0.00 O ATOM 835 OD2 ASP A 52 23.584 18.687 17.773 1.00 0.00 O ATOM 0 H ASP A 52 20.997 20.931 16.701 1.00 0.00 H new ATOM 0 HA ASP A 52 22.870 20.750 14.592 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.428 18.704 16.343 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.666 18.252 15.188 1.00 0.00 H new ATOM 840 N GLY A 53 21.764 19.677 12.617 1.00 0.00 N ATOM 841 CA GLY A 53 21.072 19.238 11.404 1.00 0.00 C ATOM 842 C GLY A 53 20.622 20.419 10.544 1.00 0.00 C ATOM 843 O GLY A 53 20.201 20.230 9.403 1.00 0.00 O ATOM 0 H GLY A 53 22.763 19.844 12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.733 18.596 10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.205 18.638 11.678 1.00 0.00 H new ATOM 847 N ARG A 54 20.721 21.638 11.080 1.00 0.00 N ATOM 848 CA ARG A 54 20.323 22.829 10.317 1.00 0.00 C ATOM 849 C ARG A 54 21.530 23.447 9.608 1.00 0.00 C ATOM 850 O ARG A 54 22.671 23.269 10.033 1.00 0.00 O ATOM 851 CB ARG A 54 19.694 23.868 11.245 1.00 0.00 C ATOM 852 CG ARG A 54 18.396 23.313 11.834 1.00 0.00 C ATOM 853 CD ARG A 54 17.630 24.435 12.537 1.00 0.00 C ATOM 854 NE ARG A 54 16.962 25.283 11.555 1.00 0.00 N ATOM 855 CZ ARG A 54 15.828 24.901 10.979 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.268 25.657 10.074 1.00 0.00 N ATOM 857 NH2 ARG A 54 15.272 23.773 11.323 1.00 0.00 N ATOM 0 H ARG A 54 21.066 21.828 12.021 1.00 0.00 H new ATOM 0 HA ARG A 54 19.592 22.521 9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.388 24.123 12.046 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.491 24.787 10.694 1.00 0.00 H new ATOM 0 HG2 ARG A 54 17.783 22.880 11.044 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.618 22.513 12.540 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.895 24.010 13.221 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.316 25.033 13.137 1.00 0.00 H new ATOM 0 HE ARG A 54 17.373 26.183 11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.701 26.541 9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.397 25.363 9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.708 23.185 12.034 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.401 23.478 10.882 1.00 0.00 H new ATOM 871 N THR A 55 21.266 24.181 8.527 1.00 0.00 N ATOM 872 CA THR A 55 22.331 24.841 7.763 1.00 0.00 C ATOM 873 C THR A 55 22.463 26.292 8.214 1.00 0.00 C ATOM 874 O THR A 55 21.530 26.850 8.785 1.00 0.00 O ATOM 875 CB THR A 55 21.996 24.802 6.267 1.00 0.00 C ATOM 876 OG1 THR A 55 20.632 25.149 6.081 1.00 0.00 O ATOM 877 CG2 THR A 55 22.246 23.394 5.718 1.00 0.00 C ATOM 0 H THR A 55 20.327 24.335 8.159 1.00 0.00 H new ATOM 0 HA THR A 55 23.272 24.319 7.938 1.00 0.00 H new ATOM 0 HB THR A 55 22.629 25.512 5.735 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.389 25.866 6.703 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.007 23.370 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.294 23.129 5.860 1.00 0.00 H new ATOM 0 HG23 THR A 55 21.616 22.680 6.248 1.00 0.00 H new ATOM 885 N LEU A 56 23.612 26.911 7.951 1.00 0.00 N ATOM 886 CA LEU A 56 23.800 28.304 8.348 1.00 0.00 C ATOM 887 C LEU A 56 22.736 29.181 7.680 1.00 0.00 C ATOM 888 O LEU A 56 22.221 30.108 8.304 1.00 0.00 O ATOM 889 CB LEU A 56 25.224 28.797 7.992 1.00 0.00 C ATOM 890 CG LEU A 56 26.197 28.542 9.162 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.468 27.037 9.290 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.518 29.280 8.898 1.00 0.00 C ATOM 0 H LEU A 56 24.408 26.484 7.477 1.00 0.00 H new ATOM 0 HA LEU A 56 23.689 28.377 9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.579 28.284 7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.198 29.862 7.759 1.00 0.00 H new ATOM 0 HG LEU A 56 25.753 28.908 10.088 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.156 26.860 10.117 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.531 26.513 9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.910 26.667 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.206 29.101 9.724 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.960 28.914 7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.326 30.349 8.811 1.00 0.00 H new ATOM 904 N SER A 57 22.414 28.902 6.411 1.00 0.00 N ATOM 905 CA SER A 57 21.412 29.695 5.701 1.00 0.00 C ATOM 906 C SER A 57 20.179 29.883 6.572 1.00 0.00 C ATOM 907 O SER A 57 19.534 30.931 6.532 1.00 0.00 O ATOM 908 CB SER A 57 21.007 29.002 4.399 1.00 0.00 C ATOM 909 OG SER A 57 20.367 27.769 4.701 1.00 0.00 O ATOM 0 H SER A 57 22.827 28.146 5.865 1.00 0.00 H new ATOM 0 HA SER A 57 21.847 30.667 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.336 29.642 3.827 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.886 28.826 3.779 1.00 0.00 H new ATOM 0 HG SER A 57 20.990 27.187 5.185 1.00 0.00 H new ATOM 915 N ASP A 58 19.864 28.869 7.369 1.00 0.00 N ATOM 916 CA ASP A 58 18.712 28.948 8.258 1.00 0.00 C ATOM 917 C ASP A 58 18.843 30.189 9.129 1.00 0.00 C ATOM 918 O ASP A 58 17.889 30.944 9.315 1.00 0.00 O ATOM 919 CB ASP A 58 18.642 27.698 9.141 1.00 0.00 C ATOM 920 CG ASP A 58 18.496 26.447 8.278 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.698 26.551 7.080 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.181 25.404 8.829 1.00 0.00 O ATOM 0 H ASP A 58 20.383 27.992 7.418 1.00 0.00 H new ATOM 0 HA ASP A 58 17.799 29.008 7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.542 27.624 9.751 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.798 27.776 9.827 1.00 0.00 H new ATOM 927 N TYR A 59 20.054 30.393 9.644 1.00 0.00 N ATOM 928 CA TYR A 59 20.370 31.548 10.487 1.00 0.00 C ATOM 929 C TYR A 59 21.186 32.563 9.682 1.00 0.00 C ATOM 930 O TYR A 59 22.360 32.330 9.440 1.00 0.00 O ATOM 931 CB TYR A 59 21.208 31.080 11.675 1.00 0.00 C ATOM 932 CG TYR A 59 20.482 29.979 12.414 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.814 28.636 12.182 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.481 30.304 13.334 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.140 27.621 12.875 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.809 29.289 14.024 1.00 0.00 C ATOM 937 CZ TYR A 59 19.137 27.948 13.796 1.00 0.00 C ATOM 938 OH TYR A 59 18.474 26.949 14.477 1.00 0.00 O ATOM 0 H TYR A 59 20.843 29.765 9.490 1.00 0.00 H new ATOM 0 HA TYR A 59 19.445 32.010 10.833 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.177 30.720 11.329 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.400 31.916 12.347 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.587 28.385 11.471 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.226 31.338 13.512 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.394 26.586 12.699 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.035 29.541 14.734 1.00 0.00 H new ATOM 0 HH TYR A 59 17.810 27.348 15.078 1.00 0.00 H new ATOM 948 N ASN A 60 20.538 33.643 9.219 1.00 0.00 N ATOM 949 CA ASN A 60 21.199 34.659 8.374 1.00 0.00 C ATOM 950 C ASN A 60 22.583 35.094 8.893 1.00 0.00 C ATOM 951 O ASN A 60 22.773 36.236 9.310 1.00 0.00 O ATOM 952 CB ASN A 60 20.298 35.895 8.241 1.00 0.00 C ATOM 953 CG ASN A 60 19.878 36.397 9.620 1.00 0.00 C ATOM 954 OD1 ASN A 60 20.686 36.981 10.342 1.00 0.00 O ATOM 955 ND2 ASN A 60 18.653 36.205 10.031 1.00 0.00 N ATOM 0 H ASN A 60 19.556 33.839 9.414 1.00 0.00 H new ATOM 0 HA ASN A 60 21.359 34.188 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.827 36.683 7.706 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.415 35.648 7.652 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.365 36.539 10.951 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.984 35.721 9.432 1.00 0.00 H new ATOM 962 N ILE A 61 23.538 34.170 8.833 1.00 0.00 N ATOM 963 CA ILE A 61 24.920 34.424 9.255 1.00 0.00 C ATOM 964 C ILE A 61 25.765 34.737 8.018 1.00 0.00 C ATOM 965 O ILE A 61 26.182 33.823 7.309 1.00 0.00 O ATOM 966 CB ILE A 61 25.487 33.170 9.934 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.795 32.939 11.278 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.994 33.336 10.161 1.00 0.00 C ATOM 969 CD1 ILE A 61 25.158 31.543 11.794 1.00 0.00 C ATOM 0 H ILE A 61 23.380 33.222 8.491 1.00 0.00 H new ATOM 0 HA ILE A 61 24.942 35.262 9.952 1.00 0.00 H new ATOM 0 HB ILE A 61 25.309 32.312 9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.105 33.698 11.996 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.715 33.029 11.165 1.00 0.00 H new ATOM 0 HG21 ILE A 61 27.390 32.442 10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 61 27.492 33.482 9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 61 27.173 34.202 10.799 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.668 31.371 12.752 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.826 30.792 11.077 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.238 31.471 11.921 1.00 0.00 H new ATOM 981 N GLN A 62 25.995 36.020 7.735 1.00 0.00 N ATOM 982 CA GLN A 62 26.763 36.391 6.543 1.00 0.00 C ATOM 983 C GLN A 62 28.262 36.399 6.800 1.00 0.00 C ATOM 984 O GLN A 62 28.720 36.183 7.922 1.00 0.00 O ATOM 985 CB GLN A 62 26.330 37.766 6.036 1.00 0.00 C ATOM 986 CG GLN A 62 24.811 37.794 5.870 1.00 0.00 C ATOM 987 CD GLN A 62 24.366 39.174 5.399 1.00 0.00 C ATOM 988 OE1 GLN A 62 24.358 39.447 4.199 1.00 0.00 O ATOM 989 NE2 GLN A 62 23.998 40.064 6.277 1.00 0.00 N ATOM 0 H GLN A 62 25.670 36.805 8.300 1.00 0.00 H new ATOM 0 HA GLN A 62 26.556 35.633 5.787 1.00 0.00 H new ATOM 0 HB2 GLN A 62 26.644 38.539 6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 62 26.814 37.983 5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 62 24.501 37.037 5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 62 24.328 37.550 6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 62 24.006 39.834 7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.702 40.991 5.971 1.00 0.00 H new ATOM 998 N LYS A 63 29.014 36.630 5.729 1.00 0.00 N ATOM 999 CA LYS A 63 30.471 36.650 5.809 1.00 0.00 C ATOM 1000 C LYS A 63 30.974 37.719 6.775 1.00 0.00 C ATOM 1001 O LYS A 63 30.407 38.806 6.888 1.00 0.00 O ATOM 1002 CB LYS A 63 31.089 36.854 4.418 1.00 0.00 C ATOM 1003 CG LYS A 63 30.834 38.272 3.893 1.00 0.00 C ATOM 1004 CD LYS A 63 31.343 38.352 2.446 1.00 0.00 C ATOM 1005 CE LYS A 63 31.001 39.715 1.839 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.812 40.774 2.501 1.00 0.00 N ATOM 0 H LYS A 63 28.640 36.806 4.797 1.00 0.00 H new ATOM 0 HA LYS A 63 30.786 35.681 6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.162 36.670 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.671 36.126 3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.770 38.506 3.934 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.346 39.005 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 63 32.422 38.196 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.893 37.558 1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.200 39.707 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.939 39.924 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.707 41.668 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.483 40.903 3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.813 40.492 2.507 1.00 0.00 H new ATOM 1020 N GLU A 64 32.064 37.380 7.458 1.00 0.00 N ATOM 1021 CA GLU A 64 32.694 38.271 8.427 1.00 0.00 C ATOM 1022 C GLU A 64 31.722 38.694 9.530 1.00 0.00 C ATOM 1023 O GLU A 64 31.359 39.867 9.636 1.00 0.00 O ATOM 1024 CB GLU A 64 33.258 39.496 7.713 1.00 0.00 C ATOM 1025 CG GLU A 64 34.183 39.026 6.589 1.00 0.00 C ATOM 1026 CD GLU A 64 34.781 40.221 5.856 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.251 41.309 6.006 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.760 40.030 5.154 1.00 0.00 O ATOM 0 H GLU A 64 32.535 36.481 7.355 1.00 0.00 H new ATOM 0 HA GLU A 64 33.507 37.725 8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 64 32.449 40.103 7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 64 33.806 40.124 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.981 38.408 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.627 38.403 5.888 1.00 0.00 H new HETATM 1035 N SEP A 65 31.344 37.736 10.379 1.00 0.00 N HETATM 1036 CA SEP A 65 30.445 37.997 11.507 1.00 0.00 C HETATM 1037 CB SEP A 65 29.070 37.367 11.244 1.00 0.00 C HETATM 1038 OG SEP A 65 28.381 38.131 10.260 1.00 0.00 O HETATM 1039 C SEP A 65 31.062 37.384 12.762 1.00 0.00 C HETATM 1040 O SEP A 65 31.948 36.534 12.656 1.00 0.00 O HETATM 1041 P SEP A 65 27.630 39.414 10.656 1.00 0.00 P HETATM 1042 O1P SEP A 65 28.056 39.707 12.135 1.00 0.00 O HETATM 1043 O2P SEP A 65 26.110 39.066 10.507 1.00 0.00 O HETATM 1044 O3P SEP A 65 28.117 40.505 9.643 1.00 0.00 O HETATM 0 HB3 SEP A 65 29.188 36.338 10.905 1.00 0.00 H new HETATM 0 HB2 SEP A 65 28.490 37.334 12.166 1.00 0.00 H new HETATM 0 HA SEP A 65 30.313 39.071 11.636 1.00 0.00 H new ATOM 1049 N THR A 66 30.606 37.795 13.946 1.00 0.00 N ATOM 1050 CA THR A 66 31.153 37.242 15.192 1.00 0.00 C ATOM 1051 C THR A 66 30.191 36.223 15.799 1.00 0.00 C ATOM 1052 O THR A 66 29.051 36.547 16.137 1.00 0.00 O ATOM 1053 CB THR A 66 31.410 38.364 16.197 1.00 0.00 C ATOM 1054 OG1 THR A 66 32.244 39.346 15.597 1.00 0.00 O ATOM 1055 CG2 THR A 66 32.105 37.788 17.434 1.00 0.00 C ATOM 0 H THR A 66 29.874 38.494 14.072 1.00 0.00 H new ATOM 0 HA THR A 66 32.093 36.742 14.959 1.00 0.00 H new ATOM 0 HB THR A 66 30.464 38.819 16.492 1.00 0.00 H new ATOM 0 HG1 THR A 66 32.411 40.069 16.237 1.00 0.00 H new ATOM 0 HG21 THR A 66 32.290 38.587 18.153 1.00 0.00 H new ATOM 0 HG22 THR A 66 31.468 37.030 17.890 1.00 0.00 H new ATOM 0 HG23 THR A 66 33.053 37.337 17.142 1.00 0.00 H new ATOM 1063 N LEU A 67 30.670 34.987 15.947 1.00 0.00 N ATOM 1064 CA LEU A 67 29.868 33.906 16.523 1.00 0.00 C ATOM 1065 C LEU A 67 30.193 33.756 18.004 1.00 0.00 C ATOM 1066 O LEU A 67 31.337 33.962 18.410 1.00 0.00 O ATOM 1067 CB LEU A 67 30.170 32.587 15.786 1.00 0.00 C ATOM 1068 CG LEU A 67 29.193 31.491 16.238 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.754 31.840 15.793 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.619 30.146 15.618 1.00 0.00 C ATOM 0 H LEU A 67 31.613 34.709 15.675 1.00 0.00 H new ATOM 0 HA LEU A 67 28.810 34.145 16.412 1.00 0.00 H new ATOM 0 HB2 LEU A 67 30.088 32.736 14.709 1.00 0.00 H new ATOM 0 HB3 LEU A 67 31.195 32.276 15.987 1.00 0.00 H new ATOM 0 HG LEU A 67 29.213 31.418 17.325 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.072 31.055 16.120 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.455 32.789 16.238 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.719 31.922 14.707 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.929 29.364 15.935 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.603 30.225 14.531 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.627 29.896 15.948 1.00 0.00 H new ATOM 1082 N HIS A 68 29.199 33.394 18.821 1.00 0.00 N ATOM 1083 CA HIS A 68 29.430 33.230 20.253 1.00 0.00 C ATOM 1084 C HIS A 68 29.701 31.761 20.585 1.00 0.00 C ATOM 1085 O HIS A 68 28.859 30.898 20.334 1.00 0.00 O ATOM 1086 CB HIS A 68 28.203 33.712 21.037 1.00 0.00 C ATOM 1087 CG HIS A 68 27.996 35.184 20.792 1.00 0.00 C ATOM 1088 ND1 HIS A 68 27.298 35.661 19.692 1.00 0.00 N ATOM 1089 CD2 HIS A 68 28.389 36.296 21.495 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.293 37.005 19.764 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.945 37.444 20.844 1.00 0.00 N ATOM 0 H HIS A 68 28.242 33.212 18.518 1.00 0.00 H new ATOM 0 HA HIS A 68 30.300 33.824 20.535 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.319 33.153 20.729 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.343 33.526 22.102 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.957 36.282 22.414 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.820 37.649 19.038 1.00 0.00 H new ATOM 0 HE2 HIS A 68 28.087 38.413 21.130 1.00 0.00 H new ATOM 1100 N LEU A 69 30.877 31.474 21.164 1.00 0.00 N ATOM 1101 CA LEU A 69 31.236 30.123 21.540 1.00 0.00 C ATOM 1102 C LEU A 69 31.209 30.022 23.053 1.00 0.00 C ATOM 1103 O LEU A 69 32.071 30.561 23.748 1.00 0.00 O ATOM 1104 CB LEU A 69 32.631 29.791 21.011 1.00 0.00 C ATOM 1105 CG LEU A 69 32.897 28.267 21.120 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.197 27.927 20.386 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.019 27.855 22.597 1.00 0.00 C ATOM 0 H LEU A 69 31.590 32.172 21.377 1.00 0.00 H new ATOM 0 HA LEU A 69 30.529 29.413 21.112 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.719 30.109 19.972 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.383 30.340 21.578 1.00 0.00 H new ATOM 0 HG LEU A 69 32.065 27.726 20.669 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.388 26.856 20.460 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.106 28.207 19.337 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.024 28.475 20.838 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.206 26.783 22.661 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.845 28.396 23.058 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.093 28.094 23.119 1.00 0.00 H new ATOM 1119 N VAL A 70 30.203 29.328 23.545 1.00 0.00 N ATOM 1120 CA VAL A 70 30.023 29.127 24.979 1.00 0.00 C ATOM 1121 C VAL A 70 30.264 27.664 25.324 1.00 0.00 C ATOM 1122 O VAL A 70 29.942 26.770 24.542 1.00 0.00 O ATOM 1123 CB VAL A 70 28.603 29.532 25.379 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.475 29.530 26.903 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.312 30.940 24.848 1.00 0.00 C ATOM 0 H VAL A 70 29.486 28.886 22.969 1.00 0.00 H new ATOM 0 HA VAL A 70 30.737 29.744 25.525 1.00 0.00 H new ATOM 0 HB VAL A 70 27.891 28.823 24.957 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.462 29.819 27.183 1.00 0.00 H new ATOM 0 HG12 VAL A 70 28.686 28.531 27.285 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.185 30.239 27.329 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.301 31.234 25.130 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.027 31.644 25.274 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.401 30.945 23.762 1.00 0.00 H new ATOM 1135 N LEU A 71 30.839 27.425 26.497 1.00 0.00 N ATOM 1136 CA LEU A 71 31.123 26.061 26.938 1.00 0.00 C ATOM 1137 C LEU A 71 30.042 25.576 27.894 1.00 0.00 C ATOM 1138 O LEU A 71 29.288 26.369 28.460 1.00 0.00 O ATOM 1139 CB LEU A 71 32.489 26.005 27.637 1.00 0.00 C ATOM 1140 CG LEU A 71 32.647 27.217 28.583 1.00 0.00 C ATOM 1141 CD1 LEU A 71 33.499 26.816 29.793 1.00 0.00 C ATOM 1142 CD2 LEU A 71 33.331 28.377 27.839 1.00 0.00 C ATOM 0 H LEU A 71 31.117 28.151 27.157 1.00 0.00 H new ATOM 0 HA LEU A 71 31.140 25.413 26.062 1.00 0.00 H new ATOM 0 HB2 LEU A 71 32.580 25.077 28.202 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.287 26.006 26.895 1.00 0.00 H new ATOM 0 HG LEU A 71 31.661 27.537 28.919 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.610 27.671 30.459 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.011 26.001 30.327 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.482 26.491 29.454 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.439 29.228 28.512 1.00 0.00 H new ATOM 0 HD22 LEU A 71 34.315 28.059 27.496 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.724 28.668 26.982 1.00 0.00 H new ATOM 1154 N ARG A 72 29.978 24.263 28.072 1.00 0.00 N ATOM 1155 CA ARG A 72 28.999 23.669 28.969 1.00 0.00 C ATOM 1156 C ARG A 72 29.538 23.650 30.391 1.00 0.00 C ATOM 1157 O ARG A 72 28.972 24.271 31.293 1.00 0.00 O ATOM 1158 CB ARG A 72 28.677 22.244 28.521 1.00 0.00 C ATOM 1159 CG ARG A 72 27.453 21.732 29.280 1.00 0.00 C ATOM 1160 CD ARG A 72 27.157 20.292 28.858 1.00 0.00 C ATOM 1161 NE ARG A 72 25.931 19.822 29.492 1.00 0.00 N ATOM 1162 CZ ARG A 72 25.496 18.580 29.309 1.00 0.00 C ATOM 1163 NH1 ARG A 72 24.397 18.181 29.889 1.00 0.00 N ATOM 1164 NH2 ARG A 72 26.166 17.759 28.546 1.00 0.00 N ATOM 0 H ARG A 72 30.591 23.592 27.608 1.00 0.00 H new ATOM 0 HA ARG A 72 28.088 24.267 28.941 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.487 22.224 27.448 1.00 0.00 H new ATOM 0 HB3 ARG A 72 29.531 21.592 28.706 1.00 0.00 H new ATOM 0 HG2 ARG A 72 27.632 21.778 30.354 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.592 22.367 29.073 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.059 20.236 27.774 1.00 0.00 H new ATOM 0 HD3 ARG A 72 27.989 19.646 29.136 1.00 0.00 H new ATOM 0 HE ARG A 72 25.398 20.457 30.086 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.872 18.823 30.483 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.063 17.227 29.748 1.00 0.00 H new ATOM 0 HH21 ARG A 72 27.024 18.071 28.090 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.832 16.806 28.406 1.00 0.00 H new ATOM 1178 N LEU A 73 30.639 22.931 30.592 1.00 0.00 N ATOM 1179 CA LEU A 73 31.247 22.837 31.913 1.00 0.00 C ATOM 1180 C LEU A 73 32.545 23.640 31.955 1.00 0.00 C ATOM 1181 O LEU A 73 33.275 23.715 30.966 1.00 0.00 O ATOM 1182 CB LEU A 73 31.534 21.367 32.261 1.00 0.00 C ATOM 1183 CG LEU A 73 30.275 20.516 32.023 1.00 0.00 C ATOM 1184 CD1 LEU A 73 30.619 19.025 32.158 1.00 0.00 C ATOM 1185 CD2 LEU A 73 29.202 20.882 33.055 1.00 0.00 C ATOM 0 H LEU A 73 31.124 22.409 29.862 1.00 0.00 H new ATOM 0 HA LEU A 73 30.552 23.247 32.645 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.356 20.994 31.651 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.847 21.285 33.302 1.00 0.00 H new ATOM 0 HG LEU A 73 29.899 20.712 31.019 1.00 0.00 H new ATOM 0 HD11 LEU A 73 29.723 18.428 31.988 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.377 18.758 31.422 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.001 18.829 33.160 1.00 0.00 H new ATOM 0 HD21 LEU A 73 28.311 20.277 32.884 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.582 20.692 34.059 1.00 0.00 H new ATOM 0 HD23 LEU A 73 28.948 21.938 32.957 1.00 0.00 H new ATOM 1197 N ARG A 74 32.825 24.236 33.108 1.00 0.00 N ATOM 1198 CA ARG A 74 34.039 25.029 33.279 1.00 0.00 C ATOM 1199 C ARG A 74 35.276 24.202 32.945 1.00 0.00 C ATOM 1200 O ARG A 74 36.244 24.716 32.386 1.00 0.00 O ATOM 1201 CB ARG A 74 34.129 25.519 34.726 1.00 0.00 C ATOM 1202 CG ARG A 74 32.914 26.394 35.047 1.00 0.00 C ATOM 1203 CD ARG A 74 33.179 27.830 34.590 1.00 0.00 C ATOM 1204 NE ARG A 74 32.060 28.690 34.948 1.00 0.00 N ATOM 1205 CZ ARG A 74 30.968 28.748 34.192 1.00 0.00 C ATOM 1206 NH1 ARG A 74 29.979 29.528 34.532 1.00 0.00 N ATOM 1207 NH2 ARG A 74 30.885 28.022 33.110 1.00 0.00 N ATOM 0 H ARG A 74 32.231 24.186 33.936 1.00 0.00 H new ATOM 0 HA ARG A 74 33.996 25.881 32.600 1.00 0.00 H new ATOM 0 HB2 ARG A 74 34.168 24.669 35.407 1.00 0.00 H new ATOM 0 HB3 ARG A 74 35.048 26.087 34.872 1.00 0.00 H new ATOM 0 HG2 ARG A 74 32.028 26.001 34.548 1.00 0.00 H new ATOM 0 HG3 ARG A 74 32.712 26.374 36.118 1.00 0.00 H new ATOM 0 HD2 ARG A 74 34.094 28.202 35.051 1.00 0.00 H new ATOM 0 HD3 ARG A 74 33.333 27.853 33.511 1.00 0.00 H new ATOM 0 HE ARG A 74 32.115 29.258 35.794 1.00 0.00 H new ATOM 0 HH11 ARG A 74 30.043 30.094 35.378 1.00 0.00 H new ATOM 0 HH12 ARG A 74 29.141 29.572 33.952 1.00 0.00 H new ATOM 0 HH21 ARG A 74 31.658 27.411 32.845 1.00 0.00 H new ATOM 0 HH22 ARG A 74 30.048 28.066 32.529 1.00 0.00 H new ATOM 1221 N GLY A 75 35.238 22.920 33.295 1.00 0.00 N ATOM 1222 CA GLY A 75 36.366 22.033 33.026 1.00 0.00 C ATOM 1223 C GLY A 75 36.188 20.697 33.737 1.00 0.00 C ATOM 1224 O GLY A 75 35.855 20.653 34.922 1.00 0.00 O ATOM 0 H GLY A 75 34.447 22.475 33.761 1.00 0.00 H new ATOM 0 HA2 GLY A 75 36.457 21.869 31.952 1.00 0.00 H new ATOM 0 HA3 GLY A 75 37.292 22.505 33.356 1.00 0.00 H new ATOM 1228 N GLY A 76 36.412 19.608 33.008 1.00 0.00 N ATOM 1229 CA GLY A 76 36.268 18.274 33.581 1.00 0.00 C ATOM 1230 C GLY A 76 37.513 17.879 34.365 1.00 0.00 C ATOM 1231 O GLY A 76 38.602 18.104 33.861 1.00 0.00 O ATOM 1232 OXT GLY A 76 37.362 17.360 35.459 1.00 0.00 O ATOM 0 H GLY A 76 36.692 19.622 32.027 1.00 0.00 H new ATOM 0 HA2 GLY A 76 35.398 18.248 34.237 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.090 17.550 32.786 1.00 0.00 H new TER 1236 GLY A 76