USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.144 X(o=0.22,f=-0.058) USER MOD Set 1.2: A 62 GLN :FLIP amide:sc= 0.0741 F(o=-0.3,f=0.22) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.707 (180deg=0.054) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 65:sc= 0.576 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -100:sc= 0.218 USER MOD Single : A 14 THR OG1 : rot 105:sc= 0.0053 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 71:sc= 1.2 USER MOD Single : A 25 ASN : amide:sc= -0.103 K(o=-0.1,f=-2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.0447 (180deg=-0.363) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.0472 F(o=-0.88,f=-0.047) USER MOD Single : A 41 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.35) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 50:sc= 0.963 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.217 USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.889) USER MOD Single : A 65 SER OG : rot 110:sc= -0.365 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.163 K(o=0.16,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 1 2.761 5.609 -2.643 1.00 33.43 N ATOM 9 CA MET A 1 4.133 5.451 -2.174 1.00 52.14 C ATOM 10 C MET A 1 5.054 5.042 -3.319 1.00 4.20 C ATOM 11 O MET A 1 5.912 5.816 -3.743 1.00 1.21 O ATOM 12 CB MET A 1 4.196 4.409 -1.056 1.00 41.10 C ATOM 13 CG MET A 1 3.428 4.810 0.193 1.00 53.33 C ATOM 14 SD MET A 1 1.715 4.249 0.164 1.00 34.34 S ATOM 15 CE MET A 1 1.742 3.013 1.461 1.00 12.41 C ATOM 0 H1 MET A 1 2.104 5.239 -1.926 1.00 33.43 H new ATOM 0 H2 MET A 1 2.564 6.617 -2.806 1.00 33.43 H new ATOM 0 H3 MET A 1 2.635 5.083 -3.531 1.00 33.43 H new ATOM 0 HA MET A 1 4.471 6.411 -1.784 1.00 52.14 H new ATOM 0 HB2 MET A 1 3.800 3.464 -1.428 1.00 41.10 H new ATOM 0 HB3 MET A 1 5.239 4.235 -0.791 1.00 41.10 H new ATOM 0 HG2 MET A 1 3.927 4.397 1.070 1.00 53.33 H new ATOM 0 HG3 MET A 1 3.449 5.895 0.295 1.00 53.33 H new ATOM 0 HE1 MET A 1 0.750 2.573 1.565 1.00 12.41 H new ATOM 0 HE2 MET A 1 2.460 2.234 1.206 1.00 12.41 H new ATOM 0 HE3 MET A 1 2.032 3.480 2.402 1.00 12.41 H new ATOM 25 N GLN A 2 4.871 3.822 -3.814 1.00 1.34 N ATOM 26 CA GLN A 2 5.688 3.312 -4.908 1.00 72.33 C ATOM 27 C GLN A 2 4.934 3.388 -6.232 1.00 13.43 C ATOM 28 O GLN A 2 3.770 2.996 -6.317 1.00 73.25 O ATOM 29 CB GLN A 2 6.107 1.867 -4.629 1.00 54.14 C ATOM 30 CG GLN A 2 7.150 1.737 -3.532 1.00 5.40 C ATOM 31 CD GLN A 2 8.230 0.729 -3.870 1.00 65.21 C ATOM 32 OE1 GLN A 2 8.917 0.854 -4.885 1.00 31.42 O ATOM 33 NE2 GLN A 2 8.387 -0.279 -3.020 1.00 2.25 N ATOM 0 H GLN A 2 4.165 3.169 -3.475 1.00 1.34 H new ATOM 0 HA GLN A 2 6.580 3.934 -4.982 1.00 72.33 H new ATOM 0 HB2 GLN A 2 5.226 1.289 -4.351 1.00 54.14 H new ATOM 0 HB3 GLN A 2 6.500 1.428 -5.546 1.00 54.14 H new ATOM 0 HG2 GLN A 2 7.609 2.710 -3.355 1.00 5.40 H new ATOM 0 HG3 GLN A 2 6.661 1.442 -2.604 1.00 5.40 H new ATOM 0 HE21 GLN A 2 7.796 -0.344 -2.191 1.00 2.25 H new ATOM 0 HE22 GLN A 2 9.099 -0.988 -3.196 1.00 2.25 H new ATOM 42 N ILE A 3 5.604 3.897 -7.260 1.00 70.43 N ATOM 43 CA ILE A 3 4.997 4.024 -8.579 1.00 53.12 C ATOM 44 C ILE A 3 5.869 3.378 -9.651 1.00 14.34 C ATOM 45 O ILE A 3 7.031 3.052 -9.407 1.00 75.22 O ATOM 46 CB ILE A 3 4.758 5.500 -8.949 1.00 12.14 C ATOM 47 CG1 ILE A 3 5.972 6.348 -8.563 1.00 34.12 C ATOM 48 CG2 ILE A 3 3.502 6.021 -8.265 1.00 63.30 C ATOM 49 CD1 ILE A 3 6.172 7.556 -9.451 1.00 13.02 C ATOM 0 H ILE A 3 6.567 4.228 -7.205 1.00 70.43 H new ATOM 0 HA ILE A 3 4.038 3.508 -8.535 1.00 53.12 H new ATOM 0 HB ILE A 3 4.617 5.571 -10.027 1.00 12.14 H new ATOM 0 HG12 ILE A 3 5.860 6.680 -7.531 1.00 34.12 H new ATOM 0 HG13 ILE A 3 6.867 5.726 -8.602 1.00 34.12 H new ATOM 0 HG21 ILE A 3 3.347 7.065 -8.536 1.00 63.30 H new ATOM 0 HG22 ILE A 3 2.643 5.431 -8.584 1.00 63.30 H new ATOM 0 HG23 ILE A 3 3.616 5.940 -7.184 1.00 63.30 H new ATOM 0 HD11 ILE A 3 7.050 8.110 -9.119 1.00 13.02 H new ATOM 0 HD12 ILE A 3 6.316 7.230 -10.481 1.00 13.02 H new ATOM 0 HD13 ILE A 3 5.294 8.199 -9.394 1.00 13.02 H new ATOM 61 N PHE A 4 5.301 3.198 -10.838 1.00 54.15 N ATOM 62 CA PHE A 4 6.026 2.592 -11.949 1.00 3.12 C ATOM 63 C PHE A 4 5.984 3.491 -13.181 1.00 64.11 C ATOM 64 O PHE A 4 4.944 4.058 -13.515 1.00 10.45 O ATOM 65 CB PHE A 4 5.436 1.221 -12.284 1.00 20.34 C ATOM 66 CG PHE A 4 6.259 0.073 -11.773 1.00 64.12 C ATOM 67 CD1 PHE A 4 7.408 -0.323 -12.440 1.00 33.54 C ATOM 68 CD2 PHE A 4 5.885 -0.609 -10.627 1.00 24.42 C ATOM 69 CE1 PHE A 4 8.167 -1.380 -11.972 1.00 54.25 C ATOM 70 CE2 PHE A 4 6.641 -1.666 -10.155 1.00 33.45 C ATOM 71 CZ PHE A 4 7.783 -2.051 -10.828 1.00 24.31 C ATOM 0 H PHE A 4 4.340 3.463 -11.056 1.00 54.15 H new ATOM 0 HA PHE A 4 7.066 2.468 -11.647 1.00 3.12 H new ATOM 0 HB2 PHE A 4 4.433 1.154 -11.864 1.00 20.34 H new ATOM 0 HB3 PHE A 4 5.335 1.132 -13.366 1.00 20.34 H new ATOM 0 HD1 PHE A 4 7.714 0.199 -13.334 1.00 33.54 H new ATOM 0 HD2 PHE A 4 4.993 -0.312 -10.096 1.00 24.42 H new ATOM 0 HE1 PHE A 4 9.059 -1.680 -12.501 1.00 54.25 H new ATOM 0 HE2 PHE A 4 6.338 -2.190 -9.260 1.00 33.45 H new ATOM 0 HZ PHE A 4 8.375 -2.876 -10.460 1.00 24.31 H new ATOM 81 N VAL A 5 7.124 3.616 -13.854 1.00 10.21 N ATOM 82 CA VAL A 5 7.219 4.445 -15.049 1.00 52.35 C ATOM 83 C VAL A 5 7.613 3.614 -16.265 1.00 32.20 C ATOM 84 O VAL A 5 8.608 2.890 -16.240 1.00 21.52 O ATOM 85 CB VAL A 5 8.242 5.582 -14.865 1.00 21.42 C ATOM 86 CG1 VAL A 5 7.772 6.555 -13.795 1.00 54.53 C ATOM 87 CG2 VAL A 5 9.610 5.015 -14.517 1.00 21.43 C ATOM 0 H VAL A 5 7.994 3.153 -13.591 1.00 10.21 H new ATOM 0 HA VAL A 5 6.232 4.878 -15.212 1.00 52.35 H new ATOM 0 HB VAL A 5 8.327 6.127 -15.805 1.00 21.42 H new ATOM 0 HG11 VAL A 5 8.507 7.351 -13.679 1.00 54.53 H new ATOM 0 HG12 VAL A 5 6.815 6.985 -14.090 1.00 54.53 H new ATOM 0 HG13 VAL A 5 7.657 6.027 -12.848 1.00 54.53 H new ATOM 0 HG21 VAL A 5 10.321 5.832 -14.390 1.00 21.43 H new ATOM 0 HG22 VAL A 5 9.543 4.446 -13.590 1.00 21.43 H new ATOM 0 HG23 VAL A 5 9.948 4.361 -15.321 1.00 21.43 H new ATOM 97 N LYS A 6 6.826 3.723 -17.330 1.00 34.22 N ATOM 98 CA LYS A 6 7.092 2.983 -18.558 1.00 11.03 C ATOM 99 C LYS A 6 7.740 3.883 -19.605 1.00 71.43 C ATOM 100 O LYS A 6 7.397 5.059 -19.727 1.00 53.10 O ATOM 101 CB LYS A 6 5.794 2.390 -19.112 1.00 25.13 C ATOM 102 CG LYS A 6 6.011 1.414 -20.255 1.00 43.34 C ATOM 103 CD LYS A 6 5.724 -0.016 -19.831 1.00 12.05 C ATOM 104 CE LYS A 6 6.734 -0.987 -20.422 1.00 3.14 C ATOM 105 NZ LYS A 6 6.088 -1.978 -21.325 1.00 71.44 N ATOM 0 H LYS A 6 5.998 4.317 -17.367 1.00 34.22 H new ATOM 0 HA LYS A 6 7.782 2.173 -18.323 1.00 11.03 H new ATOM 0 HB2 LYS A 6 5.264 1.881 -18.307 1.00 25.13 H new ATOM 0 HB3 LYS A 6 5.151 3.201 -19.455 1.00 25.13 H new ATOM 0 HG2 LYS A 6 5.366 1.683 -21.091 1.00 43.34 H new ATOM 0 HG3 LYS A 6 7.039 1.490 -20.609 1.00 43.34 H new ATOM 0 HD2 LYS A 6 5.745 -0.085 -18.743 1.00 12.05 H new ATOM 0 HD3 LYS A 6 4.720 -0.296 -20.149 1.00 12.05 H new ATOM 0 HE2 LYS A 6 7.491 -0.431 -20.975 1.00 3.14 H new ATOM 0 HE3 LYS A 6 7.248 -1.511 -19.616 1.00 3.14 H new ATOM 0 HZ1 LYS A 6 6.810 -2.622 -21.707 1.00 71.44 H new ATOM 0 HZ2 LYS A 6 5.383 -2.526 -20.792 1.00 71.44 H new ATOM 0 HZ3 LYS A 6 5.619 -1.480 -22.108 1.00 71.44 H new ATOM 119 N THR A 7 8.678 3.322 -20.362 1.00 23.22 N ATOM 120 CA THR A 7 9.374 4.073 -21.399 1.00 72.12 C ATOM 121 C THR A 7 8.951 3.611 -22.789 1.00 44.22 C ATOM 122 O THR A 7 8.158 2.679 -22.931 1.00 1.53 O ATOM 123 CB THR A 7 10.902 3.932 -21.266 1.00 71.21 C ATOM 124 OG1 THR A 7 11.232 3.359 -19.996 1.00 3.31 O ATOM 125 CG2 THR A 7 11.585 5.283 -21.412 1.00 51.21 C ATOM 0 H THR A 7 8.973 2.349 -20.276 1.00 23.22 H new ATOM 0 HA THR A 7 9.101 5.120 -21.268 1.00 72.12 H new ATOM 0 HB THR A 7 11.255 3.277 -22.062 1.00 71.21 H new ATOM 0 HG1 THR A 7 10.881 2.445 -19.948 1.00 3.31 H new ATOM 0 HG21 THR A 7 12.663 5.158 -21.314 1.00 51.21 H new ATOM 0 HG22 THR A 7 11.356 5.703 -22.391 1.00 51.21 H new ATOM 0 HG23 THR A 7 11.226 5.958 -20.635 1.00 51.21 H new ATOM 133 N LEU A 8 9.486 4.267 -23.813 1.00 51.21 N ATOM 134 CA LEU A 8 9.165 3.923 -25.194 1.00 14.11 C ATOM 135 C LEU A 8 10.069 2.804 -25.701 1.00 1.41 C ATOM 136 O LEU A 8 10.027 2.441 -26.877 1.00 11.21 O ATOM 137 CB LEU A 8 9.303 5.153 -26.092 1.00 45.34 C ATOM 138 CG LEU A 8 8.037 5.594 -26.828 1.00 22.33 C ATOM 139 CD1 LEU A 8 8.298 6.861 -27.627 1.00 15.33 C ATOM 140 CD2 LEU A 8 7.534 4.482 -27.737 1.00 25.21 C ATOM 0 H LEU A 8 10.144 5.040 -23.713 1.00 51.21 H new ATOM 0 HA LEU A 8 8.133 3.573 -25.225 1.00 14.11 H new ATOM 0 HB2 LEU A 8 9.653 5.986 -25.482 1.00 45.34 H new ATOM 0 HB3 LEU A 8 10.078 4.952 -26.832 1.00 45.34 H new ATOM 0 HG LEU A 8 7.266 5.808 -26.088 1.00 22.33 H new ATOM 0 HD11 LEU A 8 7.386 7.160 -28.144 1.00 15.33 H new ATOM 0 HD12 LEU A 8 8.611 7.658 -26.953 1.00 15.33 H new ATOM 0 HD13 LEU A 8 9.085 6.675 -28.358 1.00 15.33 H new ATOM 0 HD21 LEU A 8 6.633 4.813 -28.253 1.00 25.21 H new ATOM 0 HD22 LEU A 8 8.302 4.236 -28.470 1.00 25.21 H new ATOM 0 HD23 LEU A 8 7.307 3.599 -27.140 1.00 25.21 H new ATOM 152 N THR A 9 10.886 2.259 -24.805 1.00 43.11 N ATOM 153 CA THR A 9 11.800 1.181 -25.161 1.00 2.02 C ATOM 154 C THR A 9 11.372 -0.136 -24.524 1.00 14.12 C ATOM 155 O THR A 9 12.184 -1.042 -24.341 1.00 12.42 O ATOM 156 CB THR A 9 13.243 1.502 -24.728 1.00 22.13 C ATOM 157 OG1 THR A 9 13.379 2.905 -24.478 1.00 11.35 O ATOM 158 CG2 THR A 9 14.237 1.074 -25.797 1.00 30.10 C ATOM 0 H THR A 9 10.933 2.547 -23.828 1.00 43.11 H new ATOM 0 HA THR A 9 11.767 1.084 -26.246 1.00 2.02 H new ATOM 0 HB THR A 9 13.456 0.948 -23.814 1.00 22.13 H new ATOM 0 HG1 THR A 9 14.299 3.100 -24.202 1.00 11.35 H new ATOM 0 HG21 THR A 9 15.249 1.311 -25.469 1.00 30.10 H new ATOM 0 HG22 THR A 9 14.152 0.000 -25.964 1.00 30.10 H new ATOM 0 HG23 THR A 9 14.023 1.604 -26.725 1.00 30.10 H new ATOM 166 N GLY A 10 10.089 -0.236 -24.188 1.00 52.11 N ATOM 167 CA GLY A 10 9.575 -1.447 -23.575 1.00 54.24 C ATOM 168 C GLY A 10 10.172 -1.703 -22.206 1.00 42.51 C ATOM 169 O GLY A 10 10.055 -2.802 -21.664 1.00 42.04 O ATOM 0 H GLY A 10 9.397 0.500 -24.329 1.00 52.11 H new ATOM 0 HA2 GLY A 10 8.491 -1.374 -23.487 1.00 54.24 H new ATOM 0 HA3 GLY A 10 9.786 -2.297 -24.224 1.00 54.24 H new ATOM 173 N LYS A 11 10.817 -0.685 -21.644 1.00 75.42 N ATOM 174 CA LYS A 11 11.436 -0.804 -20.330 1.00 11.15 C ATOM 175 C LYS A 11 10.569 -0.150 -19.259 1.00 11.44 C ATOM 176 O LYS A 11 9.871 0.830 -19.523 1.00 35.23 O ATOM 177 CB LYS A 11 12.825 -0.163 -20.338 1.00 4.41 C ATOM 178 CG LYS A 11 13.790 -0.789 -19.346 1.00 64.14 C ATOM 179 CD LYS A 11 15.226 -0.383 -19.633 1.00 2.52 C ATOM 180 CE LYS A 11 16.187 -1.543 -19.422 1.00 12.24 C ATOM 181 NZ LYS A 11 16.652 -2.120 -20.713 1.00 42.32 N ATOM 0 H LYS A 11 10.924 0.231 -22.079 1.00 75.42 H new ATOM 0 HA LYS A 11 11.533 -1.864 -20.097 1.00 11.15 H new ATOM 0 HB2 LYS A 11 13.246 -0.241 -21.340 1.00 4.41 H new ATOM 0 HB3 LYS A 11 12.727 0.900 -20.115 1.00 4.41 H new ATOM 0 HG2 LYS A 11 13.521 -0.486 -18.334 1.00 64.14 H new ATOM 0 HG3 LYS A 11 13.703 -1.875 -19.388 1.00 64.14 H new ATOM 0 HD2 LYS A 11 15.306 -0.025 -20.660 1.00 2.52 H new ATOM 0 HD3 LYS A 11 15.507 0.446 -18.984 1.00 2.52 H new ATOM 0 HE2 LYS A 11 17.047 -1.202 -18.846 1.00 12.24 H new ATOM 0 HE3 LYS A 11 15.697 -2.318 -18.833 1.00 12.24 H new ATOM 0 HZ1 LYS A 11 17.305 -2.908 -20.526 1.00 42.32 H new ATOM 0 HZ2 LYS A 11 15.834 -2.469 -21.252 1.00 42.32 H new ATOM 0 HZ3 LYS A 11 17.143 -1.387 -21.264 1.00 42.32 H new ATOM 195 N THR A 12 10.619 -0.696 -18.048 1.00 32.04 N ATOM 196 CA THR A 12 9.839 -0.165 -16.937 1.00 34.41 C ATOM 197 C THR A 12 10.699 -0.003 -15.689 1.00 12.40 C ATOM 198 O THR A 12 11.479 -0.889 -15.342 1.00 65.40 O ATOM 199 CB THR A 12 8.641 -1.076 -16.606 1.00 1.10 C ATOM 200 OG1 THR A 12 7.910 -0.540 -15.498 1.00 14.12 O ATOM 201 CG2 THR A 12 9.108 -2.486 -16.278 1.00 31.05 C ATOM 0 H THR A 12 11.192 -1.506 -17.812 1.00 32.04 H new ATOM 0 HA THR A 12 9.469 0.812 -17.249 1.00 34.41 H new ATOM 0 HB THR A 12 7.993 -1.120 -17.481 1.00 1.10 H new ATOM 0 HG1 THR A 12 8.161 -1.017 -14.679 1.00 14.12 H new ATOM 0 HG21 THR A 12 8.245 -3.111 -16.048 1.00 31.05 H new ATOM 0 HG22 THR A 12 9.639 -2.902 -17.134 1.00 31.05 H new ATOM 0 HG23 THR A 12 9.775 -2.457 -15.417 1.00 31.05 H new ATOM 209 N ILE A 13 10.550 1.135 -15.018 1.00 64.40 N ATOM 210 CA ILE A 13 11.313 1.412 -13.807 1.00 63.23 C ATOM 211 C ILE A 13 10.389 1.670 -12.622 1.00 60.32 C ATOM 212 O ILE A 13 9.251 2.110 -12.791 1.00 64.13 O ATOM 213 CB ILE A 13 12.242 2.626 -13.993 1.00 65.10 C ATOM 214 CG1 ILE A 13 12.955 2.549 -15.345 1.00 74.41 C ATOM 215 CG2 ILE A 13 13.254 2.697 -12.859 1.00 11.22 C ATOM 216 CD1 ILE A 13 13.846 1.335 -15.490 1.00 1.11 C ATOM 0 H ILE A 13 9.909 1.879 -15.292 1.00 64.40 H new ATOM 0 HA ILE A 13 11.919 0.528 -13.606 1.00 63.23 H new ATOM 0 HB ILE A 13 11.638 3.533 -13.973 1.00 65.10 H new ATOM 0 HG12 ILE A 13 12.209 2.539 -16.140 1.00 74.41 H new ATOM 0 HG13 ILE A 13 13.555 3.449 -15.482 1.00 74.41 H new ATOM 0 HG21 ILE A 13 13.904 3.560 -13.004 1.00 11.22 H new ATOM 0 HG22 ILE A 13 12.729 2.794 -11.909 1.00 11.22 H new ATOM 0 HG23 ILE A 13 13.855 1.788 -12.850 1.00 11.22 H new ATOM 0 HD11 ILE A 13 14.319 1.346 -16.472 1.00 1.11 H new ATOM 0 HD12 ILE A 13 14.614 1.353 -14.717 1.00 1.11 H new ATOM 0 HD13 ILE A 13 13.248 0.430 -15.385 1.00 1.11 H new ATOM 228 N THR A 14 10.886 1.394 -11.420 1.00 51.32 N ATOM 229 CA THR A 14 10.106 1.597 -10.206 1.00 32.31 C ATOM 230 C THR A 14 10.729 2.673 -9.325 1.00 25.13 C ATOM 231 O THR A 14 11.951 2.740 -9.180 1.00 12.43 O ATOM 232 CB THR A 14 9.981 0.293 -9.394 1.00 42.44 C ATOM 233 OG1 THR A 14 8.992 0.446 -8.371 1.00 13.32 O ATOM 234 CG2 THR A 14 11.315 -0.082 -8.766 1.00 34.32 C ATOM 0 H THR A 14 11.825 1.029 -11.262 1.00 51.32 H new ATOM 0 HA THR A 14 9.113 1.918 -10.519 1.00 32.31 H new ATOM 0 HB THR A 14 9.680 -0.505 -10.073 1.00 42.44 H new ATOM 0 HG1 THR A 14 8.177 -0.033 -8.630 1.00 13.32 H new ATOM 0 HG21 THR A 14 11.203 -1.005 -8.198 1.00 34.32 H new ATOM 0 HG22 THR A 14 12.058 -0.226 -9.550 1.00 34.32 H new ATOM 0 HG23 THR A 14 11.641 0.717 -8.100 1.00 34.32 H new ATOM 242 N LEU A 15 9.884 3.513 -8.737 1.00 64.22 N ATOM 243 CA LEU A 15 10.353 4.587 -7.869 1.00 22.05 C ATOM 244 C LEU A 15 9.373 4.830 -6.726 1.00 31.05 C ATOM 245 O LEU A 15 8.293 4.241 -6.686 1.00 41.11 O ATOM 246 CB LEU A 15 10.545 5.874 -8.673 1.00 71.54 C ATOM 247 CG LEU A 15 11.847 6.635 -8.422 1.00 13.12 C ATOM 248 CD1 LEU A 15 13.013 5.939 -9.105 1.00 62.42 C ATOM 249 CD2 LEU A 15 11.725 8.073 -8.904 1.00 41.21 C ATOM 0 H LEU A 15 8.871 3.471 -8.846 1.00 64.22 H new ATOM 0 HA LEU A 15 11.311 4.285 -7.445 1.00 22.05 H new ATOM 0 HB2 LEU A 15 10.490 5.628 -9.733 1.00 71.54 H new ATOM 0 HB3 LEU A 15 9.710 6.541 -8.457 1.00 71.54 H new ATOM 0 HG LEU A 15 12.037 6.647 -7.349 1.00 13.12 H new ATOM 0 HD11 LEU A 15 13.931 6.495 -8.915 1.00 62.42 H new ATOM 0 HD12 LEU A 15 13.114 4.927 -8.712 1.00 62.42 H new ATOM 0 HD13 LEU A 15 12.832 5.894 -10.179 1.00 62.42 H new ATOM 0 HD21 LEU A 15 12.661 8.600 -8.717 1.00 41.21 H new ATOM 0 HD22 LEU A 15 11.510 8.082 -9.973 1.00 41.21 H new ATOM 0 HD23 LEU A 15 10.916 8.569 -8.368 1.00 41.21 H new ATOM 261 N GLU A 16 9.757 5.703 -5.799 1.00 35.40 N ATOM 262 CA GLU A 16 8.910 6.024 -4.656 1.00 51.11 C ATOM 263 C GLU A 16 8.789 7.535 -4.476 1.00 62.32 C ATOM 264 O GLU A 16 9.766 8.269 -4.624 1.00 23.20 O ATOM 265 CB GLU A 16 9.473 5.391 -3.382 1.00 10.11 C ATOM 266 CG GLU A 16 10.779 6.014 -2.919 1.00 10.34 C ATOM 267 CD GLU A 16 10.565 7.231 -2.040 1.00 2.42 C ATOM 268 OE1 GLU A 16 9.490 7.327 -1.411 1.00 24.32 O ATOM 269 OE2 GLU A 16 11.472 8.088 -1.981 1.00 54.21 O ATOM 0 H GLU A 16 10.648 6.200 -5.817 1.00 35.40 H new ATOM 0 HA GLU A 16 7.917 5.617 -4.847 1.00 51.11 H new ATOM 0 HB2 GLU A 16 8.735 5.481 -2.585 1.00 10.11 H new ATOM 0 HB3 GLU A 16 9.629 4.326 -3.554 1.00 10.11 H new ATOM 0 HG2 GLU A 16 11.357 5.271 -2.370 1.00 10.34 H new ATOM 0 HG3 GLU A 16 11.370 6.298 -3.789 1.00 10.34 H new ATOM 276 N VAL A 17 7.583 7.992 -4.157 1.00 13.12 N ATOM 277 CA VAL A 17 7.333 9.414 -3.956 1.00 52.51 C ATOM 278 C VAL A 17 6.136 9.638 -3.038 1.00 44.10 C ATOM 279 O VAL A 17 5.559 8.687 -2.512 1.00 43.03 O ATOM 280 CB VAL A 17 7.081 10.134 -5.294 1.00 51.42 C ATOM 281 CG1 VAL A 17 8.385 10.321 -6.054 1.00 42.12 C ATOM 282 CG2 VAL A 17 6.072 9.363 -6.132 1.00 11.42 C ATOM 0 H VAL A 17 6.763 7.398 -4.032 1.00 13.12 H new ATOM 0 HA VAL A 17 8.227 9.829 -3.491 1.00 52.51 H new ATOM 0 HB VAL A 17 6.667 11.120 -5.083 1.00 51.42 H new ATOM 0 HG11 VAL A 17 8.187 10.831 -6.997 1.00 42.12 H new ATOM 0 HG12 VAL A 17 9.073 10.919 -5.455 1.00 42.12 H new ATOM 0 HG13 VAL A 17 8.832 9.347 -6.256 1.00 42.12 H new ATOM 0 HG21 VAL A 17 5.906 9.886 -7.074 1.00 11.42 H new ATOM 0 HG22 VAL A 17 6.456 8.363 -6.335 1.00 11.42 H new ATOM 0 HG23 VAL A 17 5.130 9.287 -5.588 1.00 11.42 H new ATOM 292 N GLU A 18 5.769 10.902 -2.851 1.00 22.04 N ATOM 293 CA GLU A 18 4.641 11.250 -1.995 1.00 0.11 C ATOM 294 C GLU A 18 3.553 11.963 -2.793 1.00 33.24 C ATOM 295 O GLU A 18 3.786 12.480 -3.885 1.00 64.33 O ATOM 296 CB GLU A 18 5.105 12.138 -0.838 1.00 34.41 C ATOM 297 CG GLU A 18 6.555 11.914 -0.443 1.00 14.24 C ATOM 298 CD GLU A 18 6.761 10.612 0.307 1.00 10.41 C ATOM 299 OE1 GLU A 18 6.537 9.541 -0.294 1.00 34.43 O ATOM 300 OE2 GLU A 18 7.146 10.665 1.494 1.00 62.04 O ATOM 0 H GLU A 18 6.236 11.701 -3.280 1.00 22.04 H new ATOM 0 HA GLU A 18 4.226 10.327 -1.591 1.00 0.11 H new ATOM 0 HB2 GLU A 18 4.970 13.183 -1.117 1.00 34.41 H new ATOM 0 HB3 GLU A 18 4.469 11.954 0.028 1.00 34.41 H new ATOM 0 HG2 GLU A 18 7.176 11.915 -1.339 1.00 14.24 H new ATOM 0 HG3 GLU A 18 6.891 12.744 0.179 1.00 14.24 H new ATOM 307 N PRO A 19 2.333 11.991 -2.235 1.00 3.13 N ATOM 308 CA PRO A 19 1.184 12.637 -2.876 1.00 61.10 C ATOM 309 C PRO A 19 1.314 14.156 -2.904 1.00 70.01 C ATOM 310 O PRO A 19 0.791 14.817 -3.801 1.00 71.34 O ATOM 311 CB PRO A 19 0.004 12.217 -1.996 1.00 4.25 C ATOM 312 CG PRO A 19 0.607 11.939 -0.662 1.00 23.11 C ATOM 313 CD PRO A 19 1.983 11.395 -0.934 1.00 54.45 C ATOM 0 HA PRO A 19 1.081 12.342 -3.920 1.00 61.10 H new ATOM 0 HB2 PRO A 19 -0.745 13.006 -1.935 1.00 4.25 H new ATOM 0 HB3 PRO A 19 -0.495 11.334 -2.397 1.00 4.25 H new ATOM 0 HG2 PRO A 19 0.658 12.846 -0.060 1.00 23.11 H new ATOM 0 HG3 PRO A 19 0.006 11.220 -0.105 1.00 23.11 H new ATOM 0 HD2 PRO A 19 2.690 11.683 -0.156 1.00 54.45 H new ATOM 0 HD3 PRO A 19 1.983 10.306 -0.977 1.00 54.45 H new ATOM 321 N SER A 20 2.015 14.704 -1.916 1.00 73.24 N ATOM 322 CA SER A 20 2.210 16.146 -1.826 1.00 43.04 C ATOM 323 C SER A 20 3.429 16.580 -2.634 1.00 43.45 C ATOM 324 O SER A 20 3.826 17.746 -2.603 1.00 75.42 O ATOM 325 CB SER A 20 2.375 16.569 -0.366 1.00 4.54 C ATOM 326 OG SER A 20 1.951 17.908 -0.171 1.00 61.53 O ATOM 0 H SER A 20 2.457 14.171 -1.167 1.00 73.24 H new ATOM 0 HA SER A 20 1.328 16.634 -2.241 1.00 43.04 H new ATOM 0 HB2 SER A 20 1.797 15.904 0.276 1.00 4.54 H new ATOM 0 HB3 SER A 20 3.419 16.468 -0.071 1.00 4.54 H new ATOM 0 HG SER A 20 2.065 18.153 0.771 1.00 61.53 H new ATOM 332 N ASP A 21 4.019 15.635 -3.357 1.00 64.22 N ATOM 333 CA ASP A 21 5.193 15.918 -4.175 1.00 51.34 C ATOM 334 C ASP A 21 4.785 16.323 -5.588 1.00 41.54 C ATOM 335 O ASP A 21 3.800 15.821 -6.131 1.00 25.40 O ATOM 336 CB ASP A 21 6.112 14.697 -4.227 1.00 2.12 C ATOM 337 CG ASP A 21 7.566 15.075 -4.436 1.00 35.13 C ATOM 338 OD1 ASP A 21 8.116 15.806 -3.586 1.00 61.30 O ATOM 339 OD2 ASP A 21 8.152 14.641 -5.449 1.00 61.42 O ATOM 0 H ASP A 21 3.704 14.666 -3.394 1.00 64.22 H new ATOM 0 HA ASP A 21 5.731 16.749 -3.719 1.00 51.34 H new ATOM 0 HB2 ASP A 21 6.016 14.134 -3.299 1.00 2.12 H new ATOM 0 HB3 ASP A 21 5.791 14.038 -5.034 1.00 2.12 H new ATOM 344 N THR A 22 5.548 17.237 -6.180 1.00 42.22 N ATOM 345 CA THR A 22 5.266 17.712 -7.529 1.00 33.21 C ATOM 346 C THR A 22 6.239 17.113 -8.538 1.00 1.13 C ATOM 347 O THR A 22 7.352 16.722 -8.184 1.00 12.13 O ATOM 348 CB THR A 22 5.340 19.248 -7.611 1.00 15.21 C ATOM 349 OG1 THR A 22 5.359 19.665 -8.981 1.00 2.34 O ATOM 350 CG2 THR A 22 6.579 19.769 -6.899 1.00 11.10 C ATOM 0 H THR A 22 6.367 17.663 -5.746 1.00 42.22 H new ATOM 0 HA THR A 22 4.253 17.391 -7.771 1.00 33.21 H new ATOM 0 HB THR A 22 4.459 19.659 -7.119 1.00 15.21 H new ATOM 0 HG1 THR A 22 4.477 19.515 -9.381 1.00 2.34 H new ATOM 0 HG21 THR A 22 6.610 20.856 -6.970 1.00 11.10 H new ATOM 0 HG22 THR A 22 6.546 19.475 -5.850 1.00 11.10 H new ATOM 0 HG23 THR A 22 7.470 19.350 -7.366 1.00 11.10 H new ATOM 358 N ILE A 23 5.814 17.045 -9.795 1.00 32.14 N ATOM 359 CA ILE A 23 6.650 16.495 -10.855 1.00 12.24 C ATOM 360 C ILE A 23 7.922 17.317 -11.034 1.00 33.03 C ATOM 361 O ILE A 23 8.890 16.856 -11.637 1.00 71.01 O ATOM 362 CB ILE A 23 5.895 16.440 -12.196 1.00 14.12 C ATOM 363 CG1 ILE A 23 4.603 15.634 -12.046 1.00 31.21 C ATOM 364 CG2 ILE A 23 6.779 15.838 -13.277 1.00 70.32 C ATOM 365 CD1 ILE A 23 4.823 14.231 -11.523 1.00 42.44 C ATOM 0 H ILE A 23 4.896 17.364 -10.104 1.00 32.14 H new ATOM 0 HA ILE A 23 6.914 15.481 -10.554 1.00 12.24 H new ATOM 0 HB ILE A 23 5.635 17.456 -12.492 1.00 14.12 H new ATOM 0 HG12 ILE A 23 3.930 16.163 -11.371 1.00 31.21 H new ATOM 0 HG13 ILE A 23 4.105 15.578 -13.014 1.00 31.21 H new ATOM 0 HG21 ILE A 23 6.231 15.806 -14.219 1.00 70.32 H new ATOM 0 HG22 ILE A 23 7.673 16.449 -13.398 1.00 70.32 H new ATOM 0 HG23 ILE A 23 7.067 14.827 -12.990 1.00 70.32 H new ATOM 0 HD11 ILE A 23 3.864 13.718 -11.442 1.00 42.44 H new ATOM 0 HD12 ILE A 23 5.470 13.684 -12.209 1.00 42.44 H new ATOM 0 HD13 ILE A 23 5.293 14.278 -10.541 1.00 42.44 H new ATOM 377 N GLU A 24 7.912 18.536 -10.503 1.00 72.03 N ATOM 378 CA GLU A 24 9.066 19.422 -10.604 1.00 72.43 C ATOM 379 C GLU A 24 10.148 19.021 -9.605 1.00 51.35 C ATOM 380 O GLU A 24 11.340 19.147 -9.882 1.00 51.41 O ATOM 381 CB GLU A 24 8.645 20.873 -10.363 1.00 65.02 C ATOM 382 CG GLU A 24 9.678 21.890 -10.821 1.00 75.34 C ATOM 383 CD GLU A 24 9.637 23.169 -10.008 1.00 61.02 C ATOM 384 OE1 GLU A 24 8.555 23.787 -9.927 1.00 3.10 O ATOM 385 OE2 GLU A 24 10.688 23.552 -9.453 1.00 24.52 O ATOM 0 H GLU A 24 7.118 18.932 -9.999 1.00 72.03 H new ATOM 0 HA GLU A 24 9.474 19.333 -11.611 1.00 72.43 H new ATOM 0 HB2 GLU A 24 7.706 21.061 -10.884 1.00 65.02 H new ATOM 0 HB3 GLU A 24 8.454 21.015 -9.299 1.00 65.02 H new ATOM 0 HG2 GLU A 24 10.673 21.450 -10.749 1.00 75.34 H new ATOM 0 HG3 GLU A 24 9.509 22.126 -11.872 1.00 75.34 H new ATOM 392 N ASN A 25 9.722 18.539 -8.443 1.00 21.25 N ATOM 393 CA ASN A 25 10.654 18.121 -7.401 1.00 72.03 C ATOM 394 C ASN A 25 11.295 16.781 -7.751 1.00 12.35 C ATOM 395 O ASN A 25 12.509 16.612 -7.634 1.00 53.44 O ATOM 396 CB ASN A 25 9.934 18.019 -6.055 1.00 2.21 C ATOM 397 CG ASN A 25 10.806 18.469 -4.898 1.00 55.42 C ATOM 398 OD1 ASN A 25 11.736 19.256 -5.077 1.00 32.34 O ATOM 399 ND2 ASN A 25 10.507 17.971 -3.704 1.00 22.00 N ATOM 0 H ASN A 25 8.738 18.428 -8.198 1.00 21.25 H new ATOM 0 HA ASN A 25 11.441 18.872 -7.328 1.00 72.03 H new ATOM 0 HB2 ASN A 25 9.030 18.627 -6.083 1.00 2.21 H new ATOM 0 HB3 ASN A 25 9.620 16.988 -5.891 1.00 2.21 H new ATOM 0 HD21 ASN A 25 11.057 18.238 -2.888 1.00 22.00 H new ATOM 0 HD22 ASN A 25 9.727 17.322 -3.603 1.00 22.00 H new ATOM 406 N VAL A 26 10.470 15.831 -8.180 1.00 23.14 N ATOM 407 CA VAL A 26 10.956 14.506 -8.548 1.00 10.43 C ATOM 408 C VAL A 26 12.001 14.592 -9.654 1.00 40.24 C ATOM 409 O VAL A 26 12.915 13.771 -9.726 1.00 24.35 O ATOM 410 CB VAL A 26 9.804 13.596 -9.014 1.00 24.24 C ATOM 411 CG1 VAL A 26 9.215 14.106 -10.320 1.00 20.13 C ATOM 412 CG2 VAL A 26 10.287 12.161 -9.161 1.00 60.34 C ATOM 0 H VAL A 26 9.463 15.954 -8.281 1.00 23.14 H new ATOM 0 HA VAL A 26 11.411 14.076 -7.656 1.00 10.43 H new ATOM 0 HB VAL A 26 9.019 13.616 -8.258 1.00 24.24 H new ATOM 0 HG11 VAL A 26 8.403 13.450 -10.633 1.00 20.13 H new ATOM 0 HG12 VAL A 26 8.831 15.116 -10.176 1.00 20.13 H new ATOM 0 HG13 VAL A 26 9.988 14.118 -11.088 1.00 20.13 H new ATOM 0 HG21 VAL A 26 9.461 11.531 -9.491 1.00 60.34 H new ATOM 0 HG22 VAL A 26 11.090 12.121 -9.897 1.00 60.34 H new ATOM 0 HG23 VAL A 26 10.657 11.801 -8.201 1.00 60.34 H new ATOM 422 N LYS A 27 11.860 15.593 -10.517 1.00 62.21 N ATOM 423 CA LYS A 27 12.793 15.789 -11.621 1.00 34.11 C ATOM 424 C LYS A 27 14.213 15.991 -11.104 1.00 2.24 C ATOM 425 O LYS A 27 15.173 15.488 -11.686 1.00 23.41 O ATOM 426 CB LYS A 27 12.370 16.993 -12.465 1.00 54.30 C ATOM 427 CG LYS A 27 13.537 17.746 -13.078 1.00 43.53 C ATOM 428 CD LYS A 27 14.000 18.884 -12.183 1.00 34.54 C ATOM 429 CE LYS A 27 14.502 20.066 -12.997 1.00 62.41 C ATOM 430 NZ LYS A 27 14.699 21.277 -12.154 1.00 20.15 N ATOM 0 H LYS A 27 11.108 16.281 -10.473 1.00 62.21 H new ATOM 0 HA LYS A 27 12.776 14.893 -12.242 1.00 34.11 H new ATOM 0 HB2 LYS A 27 11.709 16.653 -13.262 1.00 54.30 H new ATOM 0 HB3 LYS A 27 11.793 17.678 -11.843 1.00 54.30 H new ATOM 0 HG2 LYS A 27 14.365 17.058 -13.250 1.00 43.53 H new ATOM 0 HG3 LYS A 27 13.245 18.143 -14.050 1.00 43.53 H new ATOM 0 HD2 LYS A 27 13.176 19.204 -11.545 1.00 34.54 H new ATOM 0 HD3 LYS A 27 14.794 18.531 -11.525 1.00 34.54 H new ATOM 0 HE2 LYS A 27 15.444 19.802 -13.478 1.00 62.41 H new ATOM 0 HE3 LYS A 27 13.790 20.289 -13.791 1.00 62.41 H new ATOM 0 HZ1 LYS A 27 15.042 22.060 -12.746 1.00 20.15 H new ATOM 0 HZ2 LYS A 27 13.795 21.545 -11.715 1.00 20.15 H new ATOM 0 HZ3 LYS A 27 15.398 21.073 -11.411 1.00 20.15 H new ATOM 444 N ALA A 28 14.339 16.730 -10.006 1.00 71.11 N ATOM 445 CA ALA A 28 15.642 16.995 -9.409 1.00 11.21 C ATOM 446 C ALA A 28 16.336 15.698 -9.008 1.00 2.23 C ATOM 447 O ALA A 28 17.555 15.572 -9.124 1.00 44.54 O ATOM 448 CB ALA A 28 15.493 17.911 -8.203 1.00 42.32 C ATOM 0 H ALA A 28 13.554 17.156 -9.512 1.00 71.11 H new ATOM 0 HA ALA A 28 16.262 17.492 -10.155 1.00 11.21 H new ATOM 0 HB1 ALA A 28 16.474 18.101 -7.767 1.00 42.32 H new ATOM 0 HB2 ALA A 28 15.046 18.855 -8.516 1.00 42.32 H new ATOM 0 HB3 ALA A 28 14.852 17.435 -7.461 1.00 42.32 H new ATOM 454 N LYS A 29 15.553 14.735 -8.534 1.00 11.44 N ATOM 455 CA LYS A 29 16.092 13.447 -8.115 1.00 34.30 C ATOM 456 C LYS A 29 16.680 12.691 -9.302 1.00 43.42 C ATOM 457 O LYS A 29 17.703 12.017 -9.175 1.00 53.13 O ATOM 458 CB LYS A 29 14.999 12.605 -7.452 1.00 73.15 C ATOM 459 CG LYS A 29 15.533 11.401 -6.696 1.00 11.23 C ATOM 460 CD LYS A 29 14.474 10.322 -6.545 1.00 52.11 C ATOM 461 CE LYS A 29 13.725 10.457 -5.228 1.00 74.52 C ATOM 462 NZ LYS A 29 14.600 10.162 -4.060 1.00 14.33 N ATOM 0 H LYS A 29 14.542 14.822 -8.430 1.00 11.44 H new ATOM 0 HA LYS A 29 16.888 13.632 -7.394 1.00 34.30 H new ATOM 0 HB2 LYS A 29 14.435 13.234 -6.764 1.00 73.15 H new ATOM 0 HB3 LYS A 29 14.301 12.263 -8.217 1.00 73.15 H new ATOM 0 HG2 LYS A 29 16.396 10.994 -7.222 1.00 11.23 H new ATOM 0 HG3 LYS A 29 15.879 11.713 -5.711 1.00 11.23 H new ATOM 0 HD2 LYS A 29 13.769 10.384 -7.374 1.00 52.11 H new ATOM 0 HD3 LYS A 29 14.943 9.340 -6.599 1.00 52.11 H new ATOM 0 HE2 LYS A 29 13.328 11.468 -5.138 1.00 74.52 H new ATOM 0 HE3 LYS A 29 12.872 9.778 -5.224 1.00 74.52 H new ATOM 0 HZ1 LYS A 29 14.014 9.865 -3.254 1.00 14.33 H new ATOM 0 HZ2 LYS A 29 15.262 9.399 -4.306 1.00 14.33 H new ATOM 0 HZ3 LYS A 29 15.136 11.016 -3.803 1.00 14.33 H new ATOM 476 N ILE A 30 16.030 12.810 -10.455 1.00 13.23 N ATOM 477 CA ILE A 30 16.491 12.141 -11.664 1.00 60.53 C ATOM 478 C ILE A 30 17.813 12.727 -12.147 1.00 40.34 C ATOM 479 O ILE A 30 18.695 12.001 -12.603 1.00 65.41 O ATOM 480 CB ILE A 30 15.452 12.244 -12.796 1.00 40.34 C ATOM 481 CG1 ILE A 30 14.972 10.851 -13.207 1.00 30.31 C ATOM 482 CG2 ILE A 30 16.041 12.981 -13.990 1.00 63.53 C ATOM 483 CD1 ILE A 30 14.076 10.194 -12.181 1.00 32.34 C ATOM 0 H ILE A 30 15.182 13.364 -10.577 1.00 13.23 H new ATOM 0 HA ILE A 30 16.634 11.091 -11.408 1.00 60.53 H new ATOM 0 HB ILE A 30 14.595 12.809 -12.431 1.00 40.34 H new ATOM 0 HG12 ILE A 30 14.435 10.925 -14.153 1.00 30.31 H new ATOM 0 HG13 ILE A 30 15.839 10.214 -13.382 1.00 30.31 H new ATOM 0 HG21 ILE A 30 15.295 13.046 -14.782 1.00 63.53 H new ATOM 0 HG22 ILE A 30 16.337 13.985 -13.688 1.00 63.53 H new ATOM 0 HG23 ILE A 30 16.913 12.440 -14.357 1.00 63.53 H new ATOM 0 HD11 ILE A 30 13.774 9.210 -12.539 1.00 32.34 H new ATOM 0 HD12 ILE A 30 14.617 10.088 -11.240 1.00 32.34 H new ATOM 0 HD13 ILE A 30 13.191 10.810 -12.023 1.00 32.34 H new ATOM 495 N GLN A 31 17.942 14.046 -12.042 1.00 64.15 N ATOM 496 CA GLN A 31 19.158 14.730 -12.468 1.00 33.01 C ATOM 497 C GLN A 31 20.337 14.346 -11.581 1.00 4.23 C ATOM 498 O GLN A 31 21.464 14.203 -12.056 1.00 51.35 O ATOM 499 CB GLN A 31 18.953 16.246 -12.437 1.00 33.53 C ATOM 500 CG GLN A 31 20.215 17.037 -12.738 1.00 24.44 C ATOM 501 CD GLN A 31 20.091 18.500 -12.362 1.00 32.13 C ATOM 502 OE1 GLN A 31 19.589 19.312 -13.139 1.00 52.03 O ATOM 503 NE2 GLN A 31 20.548 18.845 -11.164 1.00 22.34 N ATOM 0 H GLN A 31 17.221 14.662 -11.666 1.00 64.15 H new ATOM 0 HA GLN A 31 19.380 14.421 -13.490 1.00 33.01 H new ATOM 0 HB2 GLN A 31 18.184 16.515 -13.161 1.00 33.53 H new ATOM 0 HB3 GLN A 31 18.580 16.534 -11.454 1.00 33.53 H new ATOM 0 HG2 GLN A 31 21.053 16.597 -12.197 1.00 24.44 H new ATOM 0 HG3 GLN A 31 20.444 16.957 -13.801 1.00 24.44 H new ATOM 0 HE21 GLN A 31 20.957 18.139 -10.551 1.00 22.34 H new ATOM 0 HE22 GLN A 31 20.490 19.816 -10.856 1.00 22.34 H new ATOM 512 N ASP A 32 20.071 14.181 -10.290 1.00 1.32 N ATOM 513 CA ASP A 32 21.111 13.813 -9.336 1.00 12.54 C ATOM 514 C ASP A 32 21.539 12.362 -9.531 1.00 12.42 C ATOM 515 O ASP A 32 22.520 11.908 -8.942 1.00 11.35 O ATOM 516 CB ASP A 32 20.616 14.024 -7.904 1.00 3.14 C ATOM 517 CG ASP A 32 21.755 14.172 -6.914 1.00 31.33 C ATOM 518 OD1 ASP A 32 22.342 13.140 -6.526 1.00 32.43 O ATOM 519 OD2 ASP A 32 22.060 15.319 -6.528 1.00 11.34 O ATOM 0 H ASP A 32 19.144 14.296 -9.880 1.00 1.32 H new ATOM 0 HA ASP A 32 21.975 14.454 -9.512 1.00 12.54 H new ATOM 0 HB2 ASP A 32 19.988 14.914 -7.867 1.00 3.14 H new ATOM 0 HB3 ASP A 32 19.991 13.181 -7.611 1.00 3.14 H new ATOM 524 N LYS A 33 20.796 11.638 -10.361 1.00 51.30 N ATOM 525 CA LYS A 33 21.097 10.238 -10.635 1.00 43.31 C ATOM 526 C LYS A 33 21.718 10.076 -12.019 1.00 5.32 C ATOM 527 O LYS A 33 22.705 9.360 -12.186 1.00 32.24 O ATOM 528 CB LYS A 33 19.826 9.392 -10.533 1.00 3.23 C ATOM 529 CG LYS A 33 20.095 7.917 -10.289 1.00 5.32 C ATOM 530 CD LYS A 33 18.803 7.132 -10.141 1.00 63.41 C ATOM 531 CE LYS A 33 18.895 5.774 -10.821 1.00 44.33 C ATOM 532 NZ LYS A 33 19.414 4.726 -9.899 1.00 41.15 N ATOM 0 H LYS A 33 19.980 11.998 -10.856 1.00 51.30 H new ATOM 0 HA LYS A 33 21.815 9.895 -9.891 1.00 43.31 H new ATOM 0 HB2 LYS A 33 19.206 9.778 -9.724 1.00 3.23 H new ATOM 0 HB3 LYS A 33 19.252 9.501 -11.453 1.00 3.23 H new ATOM 0 HG2 LYS A 33 20.676 7.510 -11.117 1.00 5.32 H new ATOM 0 HG3 LYS A 33 20.698 7.800 -9.389 1.00 5.32 H new ATOM 0 HD2 LYS A 33 18.578 6.996 -9.083 1.00 63.41 H new ATOM 0 HD3 LYS A 33 17.979 7.701 -10.572 1.00 63.41 H new ATOM 0 HE2 LYS A 33 17.910 5.482 -11.184 1.00 44.33 H new ATOM 0 HE3 LYS A 33 19.547 5.847 -11.691 1.00 44.33 H new ATOM 0 HZ1 LYS A 33 19.462 3.816 -10.400 1.00 41.15 H new ATOM 0 HZ2 LYS A 33 20.365 4.991 -9.572 1.00 41.15 H new ATOM 0 HZ3 LYS A 33 18.778 4.638 -9.081 1.00 41.15 H new ATOM 546 N GLU A 34 21.135 10.748 -13.007 1.00 21.42 N ATOM 547 CA GLU A 34 21.633 10.677 -14.376 1.00 1.45 C ATOM 548 C GLU A 34 21.975 12.068 -14.902 1.00 51.22 C ATOM 549 O GLU A 34 22.912 12.236 -15.681 1.00 61.13 O ATOM 550 CB GLU A 34 20.596 10.016 -15.286 1.00 22.12 C ATOM 551 CG GLU A 34 20.863 8.542 -15.542 1.00 11.12 C ATOM 552 CD GLU A 34 20.736 7.700 -14.287 1.00 71.23 C ATOM 553 OE1 GLU A 34 19.810 7.960 -13.490 1.00 61.33 O ATOM 554 OE2 GLU A 34 21.562 6.782 -14.102 1.00 74.43 O ATOM 0 H GLU A 34 20.318 11.347 -12.885 1.00 21.42 H new ATOM 0 HA GLU A 34 22.541 10.074 -14.375 1.00 1.45 H new ATOM 0 HB2 GLU A 34 19.609 10.125 -14.837 1.00 22.12 H new ATOM 0 HB3 GLU A 34 20.573 10.543 -16.240 1.00 22.12 H new ATOM 0 HG2 GLU A 34 20.164 8.175 -16.294 1.00 11.12 H new ATOM 0 HG3 GLU A 34 21.865 8.424 -15.954 1.00 11.12 H new ATOM 561 N GLY A 35 21.206 13.064 -14.471 1.00 21.44 N ATOM 562 CA GLY A 35 21.442 14.427 -14.909 1.00 70.20 C ATOM 563 C GLY A 35 20.781 14.731 -16.239 1.00 22.41 C ATOM 564 O GLY A 35 21.210 15.631 -16.961 1.00 51.20 O ATOM 0 H GLY A 35 20.424 12.951 -13.826 1.00 21.44 H new ATOM 0 HA2 GLY A 35 21.067 15.118 -14.154 1.00 70.20 H new ATOM 0 HA3 GLY A 35 22.515 14.598 -14.993 1.00 70.20 H new ATOM 568 N ILE A 36 19.736 13.977 -16.564 1.00 41.33 N ATOM 569 CA ILE A 36 19.016 14.171 -17.817 1.00 31.23 C ATOM 570 C ILE A 36 18.314 15.524 -17.844 1.00 12.13 C ATOM 571 O ILE A 36 17.649 15.926 -16.888 1.00 62.32 O ATOM 572 CB ILE A 36 17.974 13.060 -18.044 1.00 71.23 C ATOM 573 CG1 ILE A 36 18.658 11.693 -18.103 1.00 23.45 C ATOM 574 CG2 ILE A 36 17.191 13.321 -19.323 1.00 4.45 C ATOM 575 CD1 ILE A 36 17.689 10.535 -18.195 1.00 51.12 C ATOM 0 H ILE A 36 19.369 13.227 -15.978 1.00 41.33 H new ATOM 0 HA ILE A 36 19.756 14.133 -18.616 1.00 31.23 H new ATOM 0 HB ILE A 36 17.276 13.061 -17.207 1.00 71.23 H new ATOM 0 HG12 ILE A 36 19.325 11.667 -18.964 1.00 23.45 H new ATOM 0 HG13 ILE A 36 19.278 11.568 -17.215 1.00 23.45 H new ATOM 0 HG21 ILE A 36 16.459 12.527 -19.470 1.00 4.45 H new ATOM 0 HG22 ILE A 36 16.677 14.279 -19.246 1.00 4.45 H new ATOM 0 HG23 ILE A 36 17.876 13.344 -20.171 1.00 4.45 H new ATOM 0 HD11 ILE A 36 18.244 9.598 -18.233 1.00 51.12 H new ATOM 0 HD12 ILE A 36 17.038 10.535 -17.321 1.00 51.12 H new ATOM 0 HD13 ILE A 36 17.086 10.636 -19.097 1.00 51.12 H new ATOM 587 N PRO A 37 18.462 16.245 -18.965 1.00 12.21 N ATOM 588 CA PRO A 37 17.847 17.564 -19.145 1.00 22.20 C ATOM 589 C PRO A 37 16.331 17.483 -19.280 1.00 75.14 C ATOM 590 O PRO A 37 15.798 16.964 -20.262 1.00 14.15 O ATOM 591 CB PRO A 37 18.474 18.073 -20.446 1.00 32.44 C ATOM 592 CG PRO A 37 18.858 16.840 -21.189 1.00 32.23 C ATOM 593 CD PRO A 37 19.240 15.828 -20.144 1.00 10.54 C ATOM 0 HA PRO A 37 18.021 18.215 -18.289 1.00 22.20 H new ATOM 0 HB2 PRO A 37 17.767 18.675 -21.017 1.00 32.44 H new ATOM 0 HB3 PRO A 37 19.342 18.702 -20.248 1.00 32.44 H new ATOM 0 HG2 PRO A 37 18.030 16.478 -21.798 1.00 32.23 H new ATOM 0 HG3 PRO A 37 19.690 17.035 -21.865 1.00 32.23 H new ATOM 0 HD2 PRO A 37 18.987 14.814 -20.455 1.00 10.54 H new ATOM 0 HD3 PRO A 37 20.311 15.842 -19.944 1.00 10.54 H new ATOM 601 N PRO A 38 15.617 18.008 -18.273 1.00 72.23 N ATOM 602 CA PRO A 38 14.151 18.008 -18.258 1.00 20.22 C ATOM 603 C PRO A 38 13.560 18.952 -19.299 1.00 2.52 C ATOM 604 O PRO A 38 12.350 18.965 -19.523 1.00 52.51 O ATOM 605 CB PRO A 38 13.811 18.489 -16.845 1.00 3.10 C ATOM 606 CG PRO A 38 14.994 19.290 -16.423 1.00 24.12 C ATOM 607 CD PRO A 38 16.186 18.642 -17.072 1.00 51.35 C ATOM 0 HA PRO A 38 13.741 17.027 -18.500 1.00 20.22 H new ATOM 0 HB2 PRO A 38 12.903 19.091 -16.840 1.00 3.10 H new ATOM 0 HB3 PRO A 38 13.641 17.649 -16.171 1.00 3.10 H new ATOM 0 HG2 PRO A 38 14.895 20.329 -16.738 1.00 24.12 H new ATOM 0 HG3 PRO A 38 15.095 19.295 -15.338 1.00 24.12 H new ATOM 0 HD2 PRO A 38 16.952 19.374 -17.328 1.00 51.35 H new ATOM 0 HD3 PRO A 38 16.653 17.909 -16.414 1.00 51.35 H new ATOM 615 N ASP A 39 14.422 19.741 -19.932 1.00 13.02 N ATOM 616 CA ASP A 39 13.985 20.688 -20.951 1.00 11.32 C ATOM 617 C ASP A 39 13.451 19.958 -22.179 1.00 64.41 C ATOM 618 O ASP A 39 12.728 20.535 -22.990 1.00 41.02 O ATOM 619 CB ASP A 39 15.139 21.608 -21.351 1.00 5.32 C ATOM 620 CG ASP A 39 14.893 23.051 -20.957 1.00 50.40 C ATOM 621 OD1 ASP A 39 14.132 23.740 -21.670 1.00 24.32 O ATOM 622 OD2 ASP A 39 15.460 23.492 -19.936 1.00 11.33 O ATOM 0 H ASP A 39 15.427 19.743 -19.757 1.00 13.02 H new ATOM 0 HA ASP A 39 13.180 21.290 -20.530 1.00 11.32 H new ATOM 0 HB2 ASP A 39 16.058 21.258 -20.881 1.00 5.32 H new ATOM 0 HB3 ASP A 39 15.289 21.549 -22.429 1.00 5.32 H new ATOM 627 N GLN A 40 13.814 18.686 -22.309 1.00 25.32 N ATOM 628 CA GLN A 40 13.374 17.877 -23.439 1.00 53.45 C ATOM 629 C GLN A 40 12.570 16.671 -22.966 1.00 21.13 C ATOM 630 O GLN A 40 12.260 15.774 -23.749 1.00 53.35 O ATOM 631 CB GLN A 40 14.577 17.413 -24.261 1.00 62.23 C ATOM 632 CG GLN A 40 14.304 17.343 -25.755 1.00 54.20 C ATOM 633 CD GLN A 40 14.896 18.516 -26.512 1.00 74.30 C ATOM 634 OE1 GLN A 40 15.587 18.225 -27.608 1.00 50.41 O flip ATOM 635 NE2 GLN A 40 14.734 19.670 -26.116 1.00 75.11 N flip ATOM 0 H GLN A 40 14.412 18.194 -21.645 1.00 25.32 H new ATOM 0 HA GLN A 40 12.731 18.495 -24.066 1.00 53.45 H new ATOM 0 HB2 GLN A 40 15.411 18.092 -24.084 1.00 62.23 H new ATOM 0 HB3 GLN A 40 14.888 16.429 -23.911 1.00 62.23 H new ATOM 0 HG2 GLN A 40 14.714 16.415 -26.152 1.00 54.20 H new ATOM 0 HG3 GLN A 40 13.227 17.313 -25.923 1.00 54.20 H new ATOM 0 HE21 GLN A 40 14.195 19.847 -25.268 1.00 75.11 H new ATOM 0 HE22 GLN A 40 15.138 20.449 -26.636 1.00 75.11 H new ATOM 644 N GLN A 41 12.237 16.656 -21.679 1.00 63.00 N ATOM 645 CA GLN A 41 11.471 15.558 -21.101 1.00 53.34 C ATOM 646 C GLN A 41 9.990 15.914 -21.017 1.00 71.43 C ATOM 647 O GLN A 41 9.620 16.945 -20.457 1.00 1.35 O ATOM 648 CB GLN A 41 12.004 15.212 -19.710 1.00 42.41 C ATOM 649 CG GLN A 41 13.417 14.651 -19.722 1.00 50.44 C ATOM 650 CD GLN A 41 13.636 13.646 -20.836 1.00 42.41 C ATOM 651 OE1 GLN A 41 12.940 12.634 -20.920 1.00 44.01 O ATOM 652 NE2 GLN A 41 14.607 13.921 -21.699 1.00 41.32 N ATOM 0 H GLN A 41 12.486 17.391 -21.017 1.00 63.00 H new ATOM 0 HA GLN A 41 11.582 14.690 -21.750 1.00 53.34 H new ATOM 0 HB2 GLN A 41 11.983 16.107 -19.089 1.00 42.41 H new ATOM 0 HB3 GLN A 41 11.338 14.486 -19.245 1.00 42.41 H new ATOM 0 HG2 GLN A 41 14.128 15.470 -19.831 1.00 50.44 H new ATOM 0 HG3 GLN A 41 13.623 14.176 -18.763 1.00 50.44 H new ATOM 0 HE21 GLN A 41 15.159 14.772 -21.591 1.00 41.32 H new ATOM 0 HE22 GLN A 41 14.801 13.282 -22.470 1.00 41.32 H new ATOM 661 N ARG A 42 9.147 15.053 -21.578 1.00 62.25 N ATOM 662 CA ARG A 42 7.707 15.277 -21.568 1.00 74.12 C ATOM 663 C ARG A 42 6.967 14.040 -21.067 1.00 25.31 C ATOM 664 O ARG A 42 7.161 12.937 -21.581 1.00 11.03 O ATOM 665 CB ARG A 42 7.216 15.644 -22.970 1.00 1.11 C ATOM 666 CG ARG A 42 6.707 17.072 -23.082 1.00 61.15 C ATOM 667 CD ARG A 42 5.683 17.212 -24.198 1.00 30.12 C ATOM 668 NE ARG A 42 6.315 17.339 -25.508 1.00 72.03 N ATOM 669 CZ ARG A 42 5.654 17.234 -26.656 1.00 22.50 C ATOM 670 NH1 ARG A 42 4.349 17.001 -26.654 1.00 71.14 N ATOM 671 NH2 ARG A 42 6.299 17.361 -27.808 1.00 44.44 N ATOM 0 H ARG A 42 9.437 14.194 -22.045 1.00 62.25 H new ATOM 0 HA ARG A 42 7.499 16.104 -20.889 1.00 74.12 H new ATOM 0 HB2 ARG A 42 8.030 15.501 -23.680 1.00 1.11 H new ATOM 0 HB3 ARG A 42 6.418 14.959 -23.257 1.00 1.11 H new ATOM 0 HG2 ARG A 42 6.259 17.375 -22.136 1.00 61.15 H new ATOM 0 HG3 ARG A 42 7.544 17.744 -23.268 1.00 61.15 H new ATOM 0 HD2 ARG A 42 5.024 16.344 -24.196 1.00 30.12 H new ATOM 0 HD3 ARG A 42 5.059 18.086 -24.010 1.00 30.12 H new ATOM 0 HE ARG A 42 7.319 17.518 -25.544 1.00 72.03 H new ATOM 0 HH11 ARG A 42 3.850 16.902 -25.770 1.00 71.14 H new ATOM 0 HH12 ARG A 42 3.844 16.921 -27.537 1.00 71.14 H new ATOM 0 HH21 ARG A 42 7.303 17.539 -27.813 1.00 44.44 H new ATOM 0 HH22 ARG A 42 5.791 17.280 -28.689 1.00 44.44 H new ATOM 685 N LEU A 43 6.121 14.230 -20.061 1.00 21.11 N ATOM 686 CA LEU A 43 5.353 13.129 -19.489 1.00 52.50 C ATOM 687 C LEU A 43 3.879 13.242 -19.865 1.00 33.54 C ATOM 688 O LEU A 43 3.301 14.328 -19.832 1.00 13.32 O ATOM 689 CB LEU A 43 5.503 13.113 -17.967 1.00 2.42 C ATOM 690 CG LEU A 43 5.407 14.470 -17.269 1.00 5.44 C ATOM 691 CD1 LEU A 43 4.690 14.335 -15.934 1.00 63.24 C ATOM 692 CD2 LEU A 43 6.793 15.068 -17.073 1.00 40.51 C ATOM 0 H LEU A 43 5.949 15.136 -19.624 1.00 21.11 H new ATOM 0 HA LEU A 43 5.743 12.196 -19.896 1.00 52.50 H new ATOM 0 HB2 LEU A 43 4.736 12.459 -17.553 1.00 2.42 H new ATOM 0 HB3 LEU A 43 6.467 12.668 -17.722 1.00 2.42 H new ATOM 0 HG LEU A 43 4.828 15.142 -17.903 1.00 5.44 H new ATOM 0 HD11 LEU A 43 4.631 15.311 -15.452 1.00 63.24 H new ATOM 0 HD12 LEU A 43 3.683 13.951 -16.099 1.00 63.24 H new ATOM 0 HD13 LEU A 43 5.241 13.646 -15.293 1.00 63.24 H new ATOM 0 HD21 LEU A 43 6.706 16.034 -16.575 1.00 40.51 H new ATOM 0 HD22 LEU A 43 7.395 14.397 -16.461 1.00 40.51 H new ATOM 0 HD23 LEU A 43 7.272 15.202 -18.043 1.00 40.51 H new ATOM 704 N ILE A 44 3.276 12.112 -20.219 1.00 22.50 N ATOM 705 CA ILE A 44 1.869 12.083 -20.597 1.00 72.22 C ATOM 706 C ILE A 44 1.118 10.993 -19.839 1.00 41.14 C ATOM 707 O ILE A 44 1.595 9.864 -19.719 1.00 1.40 O ATOM 708 CB ILE A 44 1.697 11.852 -22.110 1.00 61.31 C ATOM 709 CG1 ILE A 44 2.599 12.803 -22.899 1.00 62.11 C ATOM 710 CG2 ILE A 44 0.242 12.038 -22.512 1.00 73.35 C ATOM 711 CD1 ILE A 44 2.245 14.262 -22.717 1.00 11.22 C ATOM 0 H ILE A 44 3.740 11.204 -20.252 1.00 22.50 H new ATOM 0 HA ILE A 44 1.453 13.056 -20.337 1.00 72.22 H new ATOM 0 HB ILE A 44 1.990 10.828 -22.342 1.00 61.31 H new ATOM 0 HG12 ILE A 44 3.633 12.648 -22.593 1.00 62.11 H new ATOM 0 HG13 ILE A 44 2.539 12.552 -23.958 1.00 62.11 H new ATOM 0 HG21 ILE A 44 0.137 11.871 -23.584 1.00 73.35 H new ATOM 0 HG22 ILE A 44 -0.379 11.324 -21.971 1.00 73.35 H new ATOM 0 HG23 ILE A 44 -0.076 13.052 -22.269 1.00 73.35 H new ATOM 0 HD11 ILE A 44 2.926 14.878 -23.305 1.00 11.22 H new ATOM 0 HD12 ILE A 44 1.221 14.432 -23.051 1.00 11.22 H new ATOM 0 HD13 ILE A 44 2.333 14.529 -21.664 1.00 11.22 H new ATOM 723 N PHE A 45 -0.060 11.338 -19.331 1.00 54.03 N ATOM 724 CA PHE A 45 -0.879 10.389 -18.585 1.00 63.05 C ATOM 725 C PHE A 45 -2.350 10.794 -18.621 1.00 25.32 C ATOM 726 O PHE A 45 -2.686 11.964 -18.447 1.00 55.41 O ATOM 727 CB PHE A 45 -0.398 10.298 -17.136 1.00 21.32 C ATOM 728 CG PHE A 45 -1.196 9.339 -16.299 1.00 23.11 C ATOM 729 CD1 PHE A 45 -0.959 7.976 -16.368 1.00 21.41 C ATOM 730 CD2 PHE A 45 -2.183 9.801 -15.444 1.00 1.25 C ATOM 731 CE1 PHE A 45 -1.691 7.091 -15.599 1.00 21.41 C ATOM 732 CE2 PHE A 45 -2.918 8.921 -14.672 1.00 2.11 C ATOM 733 CZ PHE A 45 -2.672 7.564 -14.751 1.00 14.15 C ATOM 0 H PHE A 45 -0.469 12.268 -19.422 1.00 54.03 H new ATOM 0 HA PHE A 45 -0.779 9.411 -19.056 1.00 63.05 H new ATOM 0 HB2 PHE A 45 0.648 9.992 -17.127 1.00 21.32 H new ATOM 0 HB3 PHE A 45 -0.444 11.288 -16.683 1.00 21.32 H new ATOM 0 HD1 PHE A 45 -0.193 7.600 -17.030 1.00 21.41 H new ATOM 0 HD2 PHE A 45 -2.381 10.861 -15.380 1.00 1.25 H new ATOM 0 HE1 PHE A 45 -1.496 6.031 -15.662 1.00 21.41 H new ATOM 0 HE2 PHE A 45 -3.684 9.294 -14.008 1.00 2.11 H new ATOM 0 HZ PHE A 45 -3.246 6.874 -14.150 1.00 14.15 H new ATOM 743 N ALA A 46 -3.221 9.816 -18.848 1.00 3.13 N ATOM 744 CA ALA A 46 -4.655 10.069 -18.905 1.00 11.02 C ATOM 745 C ALA A 46 -5.016 10.912 -20.123 1.00 62.24 C ATOM 746 O ALA A 46 -6.111 11.467 -20.204 1.00 63.23 O ATOM 747 CB ALA A 46 -5.121 10.755 -17.629 1.00 51.33 C ATOM 0 H ALA A 46 -2.958 8.841 -18.995 1.00 3.13 H new ATOM 0 HA ALA A 46 -5.165 9.110 -18.996 1.00 11.02 H new ATOM 0 HB1 ALA A 46 -6.194 10.938 -17.685 1.00 51.33 H new ATOM 0 HB2 ALA A 46 -4.906 10.115 -16.773 1.00 51.33 H new ATOM 0 HB3 ALA A 46 -4.597 11.704 -17.514 1.00 51.33 H new ATOM 753 N GLY A 47 -4.087 11.004 -21.070 1.00 64.40 N ATOM 754 CA GLY A 47 -4.326 11.781 -22.272 1.00 11.34 C ATOM 755 C GLY A 47 -4.191 13.272 -22.034 1.00 1.21 C ATOM 756 O GLY A 47 -4.376 14.074 -22.949 1.00 41.35 O ATOM 0 H GLY A 47 -3.173 10.554 -21.026 1.00 64.40 H new ATOM 0 HA2 GLY A 47 -3.622 11.474 -23.045 1.00 11.34 H new ATOM 0 HA3 GLY A 47 -5.326 11.565 -22.648 1.00 11.34 H new ATOM 760 N LYS A 48 -3.869 13.646 -20.800 1.00 44.22 N ATOM 761 CA LYS A 48 -3.709 15.051 -20.443 1.00 71.20 C ATOM 762 C LYS A 48 -2.251 15.370 -20.128 1.00 32.23 C ATOM 763 O LYS A 48 -1.592 14.637 -19.391 1.00 70.32 O ATOM 764 CB LYS A 48 -4.589 15.395 -19.240 1.00 15.44 C ATOM 765 CG LYS A 48 -5.497 16.591 -19.472 1.00 61.04 C ATOM 766 CD LYS A 48 -4.810 17.894 -19.097 1.00 72.45 C ATOM 767 CE LYS A 48 -5.686 19.096 -19.414 1.00 1.42 C ATOM 768 NZ LYS A 48 -6.636 19.397 -18.307 1.00 72.14 N ATOM 0 H LYS A 48 -3.714 12.995 -20.030 1.00 44.22 H new ATOM 0 HA LYS A 48 -4.018 15.655 -21.296 1.00 71.20 H new ATOM 0 HB2 LYS A 48 -5.201 14.529 -18.988 1.00 15.44 H new ATOM 0 HB3 LYS A 48 -3.951 15.595 -18.379 1.00 15.44 H new ATOM 0 HG2 LYS A 48 -5.796 16.624 -20.520 1.00 61.04 H new ATOM 0 HG3 LYS A 48 -6.408 16.477 -18.885 1.00 61.04 H new ATOM 0 HD2 LYS A 48 -4.570 17.887 -18.034 1.00 72.45 H new ATOM 0 HD3 LYS A 48 -3.866 17.978 -19.636 1.00 72.45 H new ATOM 0 HE2 LYS A 48 -5.056 19.966 -19.599 1.00 1.42 H new ATOM 0 HE3 LYS A 48 -6.245 18.907 -20.331 1.00 1.42 H new ATOM 0 HZ1 LYS A 48 -7.215 20.223 -18.561 1.00 72.14 H new ATOM 0 HZ2 LYS A 48 -7.254 18.576 -18.147 1.00 72.14 H new ATOM 0 HZ3 LYS A 48 -6.103 19.603 -17.438 1.00 72.14 H new ATOM 782 N GLN A 49 -1.756 16.468 -20.689 1.00 2.12 N ATOM 783 CA GLN A 49 -0.376 16.883 -20.466 1.00 41.30 C ATOM 784 C GLN A 49 -0.179 17.374 -19.035 1.00 72.43 C ATOM 785 O GLN A 49 -0.810 18.341 -18.607 1.00 43.32 O ATOM 786 CB GLN A 49 0.013 17.985 -21.453 1.00 41.03 C ATOM 787 CG GLN A 49 1.270 17.673 -22.249 1.00 23.11 C ATOM 788 CD GLN A 49 2.412 18.618 -21.931 1.00 0.13 C ATOM 789 OE1 GLN A 49 3.224 18.353 -21.044 1.00 20.12 O ATOM 790 NE2 GLN A 49 2.480 19.729 -22.655 1.00 4.23 N ATOM 0 H GLN A 49 -2.289 17.086 -21.301 1.00 2.12 H new ATOM 0 HA GLN A 49 0.267 16.018 -20.626 1.00 41.30 H new ATOM 0 HB2 GLN A 49 -0.813 18.150 -22.144 1.00 41.03 H new ATOM 0 HB3 GLN A 49 0.161 18.916 -20.906 1.00 41.03 H new ATOM 0 HG2 GLN A 49 1.582 16.649 -22.042 1.00 23.11 H new ATOM 0 HG3 GLN A 49 1.044 17.728 -23.314 1.00 23.11 H new ATOM 0 HE21 GLN A 49 1.786 19.908 -23.380 1.00 4.23 H new ATOM 0 HE22 GLN A 49 3.227 20.403 -22.486 1.00 4.23 H new ATOM 799 N LEU A 50 0.699 16.700 -18.300 1.00 55.10 N ATOM 800 CA LEU A 50 0.978 17.067 -16.916 1.00 64.11 C ATOM 801 C LEU A 50 1.827 18.333 -16.849 1.00 71.31 C ATOM 802 O LEU A 50 2.878 18.420 -17.483 1.00 1.33 O ATOM 803 CB LEU A 50 1.694 15.921 -16.199 1.00 22.11 C ATOM 804 CG LEU A 50 1.355 15.739 -14.719 1.00 1.41 C ATOM 805 CD1 LEU A 50 1.763 14.353 -14.244 1.00 54.31 C ATOM 806 CD2 LEU A 50 2.033 16.813 -13.881 1.00 4.23 C ATOM 0 H LEU A 50 1.229 15.897 -18.639 1.00 55.10 H new ATOM 0 HA LEU A 50 0.028 17.262 -16.419 1.00 64.11 H new ATOM 0 HB2 LEU A 50 1.463 14.992 -16.721 1.00 22.11 H new ATOM 0 HB3 LEU A 50 2.769 16.078 -16.288 1.00 22.11 H new ATOM 0 HG LEU A 50 0.276 15.839 -14.598 1.00 1.41 H new ATOM 0 HD11 LEU A 50 1.514 14.242 -13.189 1.00 54.31 H new ATOM 0 HD12 LEU A 50 1.231 13.599 -14.824 1.00 54.31 H new ATOM 0 HD13 LEU A 50 2.837 14.224 -14.379 1.00 54.31 H new ATOM 0 HD21 LEU A 50 1.781 16.668 -12.831 1.00 4.23 H new ATOM 0 HD22 LEU A 50 3.114 16.745 -14.007 1.00 4.23 H new ATOM 0 HD23 LEU A 50 1.691 17.796 -14.204 1.00 4.23 H new ATOM 818 N GLU A 51 1.363 19.309 -16.076 1.00 5.54 N ATOM 819 CA GLU A 51 2.081 20.570 -15.925 1.00 63.24 C ATOM 820 C GLU A 51 3.099 20.485 -14.791 1.00 75.31 C ATOM 821 O GLU A 51 2.850 19.849 -13.766 1.00 52.33 O ATOM 822 CB GLU A 51 1.100 21.713 -15.660 1.00 54.00 C ATOM 823 CG GLU A 51 0.799 22.555 -16.889 1.00 33.52 C ATOM 824 CD GLU A 51 0.490 23.999 -16.546 1.00 5.04 C ATOM 825 OE1 GLU A 51 -0.689 24.304 -16.271 1.00 51.21 O ATOM 826 OE2 GLU A 51 1.428 24.824 -16.552 1.00 32.15 O ATOM 0 H GLU A 51 0.494 19.252 -15.545 1.00 5.54 H new ATOM 0 HA GLU A 51 2.615 20.768 -16.855 1.00 63.24 H new ATOM 0 HB2 GLU A 51 0.168 21.299 -15.277 1.00 54.00 H new ATOM 0 HB3 GLU A 51 1.507 22.356 -14.880 1.00 54.00 H new ATOM 0 HG2 GLU A 51 1.653 22.521 -17.566 1.00 33.52 H new ATOM 0 HG3 GLU A 51 -0.048 22.123 -17.422 1.00 33.52 H new ATOM 833 N ASP A 52 4.245 21.129 -14.983 1.00 34.53 N ATOM 834 CA ASP A 52 5.300 21.127 -13.977 1.00 21.35 C ATOM 835 C ASP A 52 4.828 21.802 -12.693 1.00 21.04 C ATOM 836 O ASP A 52 5.376 21.565 -11.617 1.00 30.21 O ATOM 837 CB ASP A 52 6.546 21.835 -14.512 1.00 34.02 C ATOM 838 CG ASP A 52 6.894 21.406 -15.923 1.00 70.34 C ATOM 839 OD1 ASP A 52 6.214 21.861 -16.867 1.00 63.03 O ATOM 840 OD2 ASP A 52 7.847 20.615 -16.084 1.00 51.15 O ATOM 0 H ASP A 52 4.467 21.659 -15.826 1.00 34.53 H new ATOM 0 HA ASP A 52 5.550 20.090 -13.750 1.00 21.35 H new ATOM 0 HB2 ASP A 52 6.385 22.913 -14.492 1.00 34.02 H new ATOM 0 HB3 ASP A 52 7.389 21.627 -13.854 1.00 34.02 H new ATOM 845 N GLY A 53 3.808 22.646 -12.814 1.00 72.11 N ATOM 846 CA GLY A 53 3.280 23.344 -11.656 1.00 61.51 C ATOM 847 C GLY A 53 2.193 22.557 -10.951 1.00 55.35 C ATOM 848 O GLY A 53 1.541 23.067 -10.040 1.00 33.43 O ATOM 0 H GLY A 53 3.338 22.859 -13.694 1.00 72.11 H new ATOM 0 HA2 GLY A 53 4.091 23.545 -10.956 1.00 61.51 H new ATOM 0 HA3 GLY A 53 2.881 24.309 -11.968 1.00 61.51 H new ATOM 852 N ARG A 54 1.995 21.313 -11.375 1.00 53.33 N ATOM 853 CA ARG A 54 0.976 20.456 -10.780 1.00 42.45 C ATOM 854 C ARG A 54 1.612 19.399 -9.882 1.00 51.33 C ATOM 855 O ARG A 54 2.812 19.136 -9.967 1.00 70.05 O ATOM 856 CB ARG A 54 0.146 19.780 -11.873 1.00 43.24 C ATOM 857 CG ARG A 54 -0.817 20.722 -12.577 1.00 44.15 C ATOM 858 CD ARG A 54 -1.918 21.194 -11.642 1.00 13.33 C ATOM 859 NE ARG A 54 -1.715 22.574 -11.209 1.00 5.14 N ATOM 860 CZ ARG A 54 -1.926 23.628 -11.989 1.00 3.10 C ATOM 861 NH1 ARG A 54 -2.345 23.461 -13.236 1.00 31.34 N ATOM 862 NH2 ARG A 54 -1.718 24.853 -11.523 1.00 22.25 N ATOM 0 H ARG A 54 2.527 20.876 -12.128 1.00 53.33 H new ATOM 0 HA ARG A 54 0.322 21.080 -10.171 1.00 42.45 H new ATOM 0 HB2 ARG A 54 0.819 19.344 -12.611 1.00 43.24 H new ATOM 0 HB3 ARG A 54 -0.419 18.959 -11.433 1.00 43.24 H new ATOM 0 HG2 ARG A 54 -0.270 21.583 -12.961 1.00 44.15 H new ATOM 0 HG3 ARG A 54 -1.259 20.217 -13.436 1.00 44.15 H new ATOM 0 HD2 ARG A 54 -2.881 21.110 -12.145 1.00 13.33 H new ATOM 0 HD3 ARG A 54 -1.956 20.542 -10.769 1.00 13.33 H new ATOM 0 HE ARG A 54 -1.393 22.737 -10.255 1.00 5.14 H new ATOM 0 HH11 ARG A 54 -2.506 22.521 -13.598 1.00 31.34 H new ATOM 0 HH12 ARG A 54 -2.506 24.272 -13.833 1.00 31.34 H new ATOM 0 HH21 ARG A 54 -1.396 24.986 -10.564 1.00 22.25 H new ATOM 0 HH22 ARG A 54 -1.880 25.661 -12.123 1.00 22.25 H new ATOM 876 N THR A 55 0.799 18.796 -9.020 1.00 43.02 N ATOM 877 CA THR A 55 1.282 17.769 -8.105 1.00 53.32 C ATOM 878 C THR A 55 0.653 16.416 -8.417 1.00 12.05 C ATOM 879 O THR A 55 -0.374 16.338 -9.092 1.00 35.23 O ATOM 880 CB THR A 55 0.982 18.137 -6.640 1.00 30.03 C ATOM 881 OG1 THR A 55 1.465 17.109 -5.768 1.00 61.20 O ATOM 882 CG2 THR A 55 -0.512 18.331 -6.425 1.00 25.40 C ATOM 0 H THR A 55 -0.197 19.001 -8.936 1.00 43.02 H new ATOM 0 HA THR A 55 2.361 17.705 -8.242 1.00 53.32 H new ATOM 0 HB THR A 55 1.490 19.074 -6.413 1.00 30.03 H new ATOM 0 HG1 THR A 55 2.394 16.895 -5.997 1.00 61.20 H new ATOM 0 HG21 THR A 55 -0.699 18.590 -5.383 1.00 25.40 H new ATOM 0 HG22 THR A 55 -0.871 19.134 -7.069 1.00 25.40 H new ATOM 0 HG23 THR A 55 -1.038 17.408 -6.669 1.00 25.40 H new ATOM 890 N LEU A 56 1.274 15.352 -7.920 1.00 43.03 N ATOM 891 CA LEU A 56 0.775 14.000 -8.145 1.00 15.00 C ATOM 892 C LEU A 56 -0.665 13.864 -7.660 1.00 11.04 C ATOM 893 O LEU A 56 -1.532 13.378 -8.386 1.00 32.14 O ATOM 894 CB LEU A 56 1.664 12.981 -7.431 1.00 20.04 C ATOM 895 CG LEU A 56 3.113 12.902 -7.911 1.00 64.54 C ATOM 896 CD1 LEU A 56 4.024 12.434 -6.787 1.00 10.03 C ATOM 897 CD2 LEU A 56 3.227 11.974 -9.112 1.00 72.04 C ATOM 0 H LEU A 56 2.124 15.399 -7.358 1.00 43.03 H new ATOM 0 HA LEU A 56 0.798 13.804 -9.217 1.00 15.00 H new ATOM 0 HB2 LEU A 56 1.667 13.215 -6.366 1.00 20.04 H new ATOM 0 HB3 LEU A 56 1.212 11.995 -7.540 1.00 20.04 H new ATOM 0 HG LEU A 56 3.429 13.900 -8.215 1.00 64.54 H new ATOM 0 HD11 LEU A 56 5.051 12.384 -7.148 1.00 10.03 H new ATOM 0 HD12 LEU A 56 3.966 13.136 -5.955 1.00 10.03 H new ATOM 0 HD13 LEU A 56 3.709 11.446 -6.451 1.00 10.03 H new ATOM 0 HD21 LEU A 56 4.265 11.930 -9.440 1.00 72.04 H new ATOM 0 HD22 LEU A 56 2.892 10.975 -8.833 1.00 72.04 H new ATOM 0 HD23 LEU A 56 2.606 12.352 -9.924 1.00 72.04 H new ATOM 909 N SER A 57 -0.913 14.299 -6.428 1.00 64.31 N ATOM 910 CA SER A 57 -2.247 14.224 -5.845 1.00 21.12 C ATOM 911 C SER A 57 -3.289 14.805 -6.796 1.00 1.34 C ATOM 912 O SER A 57 -4.409 14.303 -6.890 1.00 23.54 O ATOM 913 CB SER A 57 -2.286 14.970 -4.510 1.00 5.03 C ATOM 914 OG SER A 57 -3.577 14.912 -3.930 1.00 55.34 O ATOM 0 H SER A 57 -0.207 14.707 -5.815 1.00 64.31 H new ATOM 0 HA SER A 57 -2.483 13.174 -5.673 1.00 21.12 H new ATOM 0 HB2 SER A 57 -1.557 14.536 -3.826 1.00 5.03 H new ATOM 0 HB3 SER A 57 -1.999 16.010 -4.663 1.00 5.03 H new ATOM 0 HG SER A 57 -3.575 15.395 -3.077 1.00 55.34 H new ATOM 920 N ASP A 58 -2.912 15.868 -7.498 1.00 65.54 N ATOM 921 CA ASP A 58 -3.812 16.518 -8.443 1.00 42.33 C ATOM 922 C ASP A 58 -4.165 15.579 -9.593 1.00 3.35 C ATOM 923 O ASP A 58 -5.300 15.564 -10.069 1.00 41.30 O ATOM 924 CB ASP A 58 -3.174 17.797 -8.990 1.00 74.40 C ATOM 925 CG ASP A 58 -3.005 17.761 -10.496 1.00 60.31 C ATOM 926 OD1 ASP A 58 -3.945 18.171 -11.209 1.00 43.22 O ATOM 927 OD2 ASP A 58 -1.932 17.323 -10.962 1.00 34.22 O ATOM 0 H ASP A 58 -1.989 16.298 -7.430 1.00 65.54 H new ATOM 0 HA ASP A 58 -4.730 16.776 -7.914 1.00 42.33 H new ATOM 0 HB2 ASP A 58 -3.791 18.653 -8.717 1.00 74.40 H new ATOM 0 HB3 ASP A 58 -2.201 17.943 -8.521 1.00 74.40 H new ATOM 932 N TYR A 59 -3.185 14.798 -10.034 1.00 1.44 N ATOM 933 CA TYR A 59 -3.391 13.859 -11.130 1.00 2.13 C ATOM 934 C TYR A 59 -3.858 12.505 -10.606 1.00 34.31 C ATOM 935 O TYR A 59 -3.930 11.529 -11.352 1.00 4.20 O ATOM 936 CB TYR A 59 -2.100 13.690 -11.933 1.00 73.23 C ATOM 937 CG TYR A 59 -2.126 14.387 -13.275 1.00 34.03 C ATOM 938 CD1 TYR A 59 -2.680 15.654 -13.411 1.00 2.02 C ATOM 939 CD2 TYR A 59 -1.597 13.779 -14.406 1.00 64.41 C ATOM 940 CE1 TYR A 59 -2.706 16.294 -14.635 1.00 14.13 C ATOM 941 CE2 TYR A 59 -1.617 14.412 -15.634 1.00 35.23 C ATOM 942 CZ TYR A 59 -2.174 15.669 -15.743 1.00 1.20 C ATOM 943 OH TYR A 59 -2.197 16.304 -16.964 1.00 12.14 O ATOM 0 H TYR A 59 -2.240 14.797 -9.649 1.00 1.44 H new ATOM 0 HA TYR A 59 -4.166 14.263 -11.781 1.00 2.13 H new ATOM 0 HB2 TYR A 59 -1.265 14.076 -11.348 1.00 73.23 H new ATOM 0 HB3 TYR A 59 -1.915 12.627 -12.089 1.00 73.23 H new ATOM 0 HD1 TYR A 59 -3.097 16.147 -12.545 1.00 2.02 H new ATOM 0 HD2 TYR A 59 -1.162 12.794 -14.324 1.00 64.41 H new ATOM 0 HE1 TYR A 59 -3.141 17.279 -14.724 1.00 14.13 H new ATOM 0 HE2 TYR A 59 -1.199 13.926 -16.503 1.00 35.23 H new ATOM 0 HH TYR A 59 -1.782 15.729 -17.640 1.00 12.14 H new ATOM 953 N ASN A 60 -4.177 12.454 -9.316 1.00 42.15 N ATOM 954 CA ASN A 60 -4.638 11.220 -8.691 1.00 1.01 C ATOM 955 C ASN A 60 -3.645 10.086 -8.927 1.00 43.33 C ATOM 956 O ASN A 60 -4.037 8.944 -9.165 1.00 31.51 O ATOM 957 CB ASN A 60 -6.013 10.830 -9.236 1.00 52.32 C ATOM 958 CG ASN A 60 -6.966 10.391 -8.141 1.00 52.52 C ATOM 959 OD1 ASN A 60 -7.860 11.139 -7.745 1.00 12.24 O ATOM 960 ND2 ASN A 60 -6.779 9.173 -7.647 1.00 5.42 N ATOM 0 H ASN A 60 -4.125 13.253 -8.684 1.00 42.15 H new ATOM 0 HA ASN A 60 -4.716 11.394 -7.618 1.00 1.01 H new ATOM 0 HB2 ASN A 60 -6.443 11.678 -9.770 1.00 52.32 H new ATOM 0 HB3 ASN A 60 -5.898 10.023 -9.959 1.00 52.32 H new ATOM 0 HD21 ASN A 60 -7.390 8.823 -6.909 1.00 5.42 H new ATOM 0 HD22 ASN A 60 -6.025 8.587 -8.006 1.00 5.42 H new ATOM 967 N ILE A 61 -2.358 10.411 -8.860 1.00 20.42 N ATOM 968 CA ILE A 61 -1.309 9.419 -9.065 1.00 11.52 C ATOM 969 C ILE A 61 -0.994 8.677 -7.771 1.00 20.13 C ATOM 970 O ILE A 61 -0.544 9.276 -6.794 1.00 62.15 O ATOM 971 CB ILE A 61 -0.018 10.068 -9.599 1.00 12.03 C ATOM 972 CG1 ILE A 61 -0.304 10.837 -10.890 1.00 15.41 C ATOM 973 CG2 ILE A 61 1.049 9.009 -9.832 1.00 41.30 C ATOM 974 CD1 ILE A 61 0.860 11.680 -11.362 1.00 71.32 C ATOM 0 H ILE A 61 -2.017 11.352 -8.666 1.00 20.42 H new ATOM 0 HA ILE A 61 -1.683 8.711 -9.805 1.00 11.52 H new ATOM 0 HB ILE A 61 0.353 10.772 -8.854 1.00 12.03 H new ATOM 0 HG12 ILE A 61 -0.570 10.128 -11.674 1.00 15.41 H new ATOM 0 HG13 ILE A 61 -1.170 11.481 -10.735 1.00 15.41 H new ATOM 0 HG21 ILE A 61 1.955 9.483 -10.209 1.00 41.30 H new ATOM 0 HG22 ILE A 61 1.269 8.501 -8.893 1.00 41.30 H new ATOM 0 HG23 ILE A 61 0.688 8.283 -10.561 1.00 41.30 H new ATOM 0 HD11 ILE A 61 0.586 12.197 -12.282 1.00 71.32 H new ATOM 0 HD12 ILE A 61 1.113 12.413 -10.596 1.00 71.32 H new ATOM 0 HD13 ILE A 61 1.721 11.039 -11.549 1.00 71.32 H new ATOM 986 N GLN A 62 -1.232 7.369 -7.772 1.00 52.41 N ATOM 987 CA GLN A 62 -0.972 6.545 -6.598 1.00 34.21 C ATOM 988 C GLN A 62 -0.292 5.238 -6.990 1.00 63.35 C ATOM 989 O GLN A 62 0.119 5.059 -8.137 1.00 44.12 O ATOM 990 CB GLN A 62 -2.277 6.251 -5.856 1.00 55.10 C ATOM 991 CG GLN A 62 -3.018 7.501 -5.409 1.00 42.41 C ATOM 992 CD GLN A 62 -4.513 7.410 -5.645 1.00 5.21 C ATOM 993 OE1 GLN A 62 -4.899 7.078 -6.871 1.00 51.33 O flip ATOM 994 NE2 GLN A 62 -5.311 7.636 -4.735 1.00 35.42 N flip ATOM 0 H GLN A 62 -1.604 6.858 -8.572 1.00 52.41 H new ATOM 0 HA GLN A 62 -0.303 7.098 -5.938 1.00 34.21 H new ATOM 0 HB2 GLN A 62 -2.929 5.664 -6.503 1.00 55.10 H new ATOM 0 HB3 GLN A 62 -2.058 5.637 -4.983 1.00 55.10 H new ATOM 0 HG2 GLN A 62 -2.831 7.670 -4.348 1.00 42.41 H new ATOM 0 HG3 GLN A 62 -2.622 8.364 -5.944 1.00 42.41 H new ATOM 0 HE21 GLN A 62 -4.969 7.888 -3.808 1.00 35.42 H new ATOM 0 HE22 GLN A 62 -6.314 7.571 -4.908 1.00 35.42 H new ATOM 1003 N LYS A 63 -0.175 4.326 -6.031 1.00 70.21 N ATOM 1004 CA LYS A 63 0.455 3.034 -6.275 1.00 71.25 C ATOM 1005 C LYS A 63 -0.202 2.322 -7.454 1.00 42.52 C ATOM 1006 O LYS A 63 -1.407 2.445 -7.671 1.00 2.11 O ATOM 1007 CB LYS A 63 0.369 2.157 -5.024 1.00 72.55 C ATOM 1008 CG LYS A 63 0.825 0.726 -5.252 1.00 72.33 C ATOM 1009 CD LYS A 63 2.330 0.644 -5.444 1.00 51.13 C ATOM 1010 CE LYS A 63 2.830 -0.787 -5.323 1.00 64.11 C ATOM 1011 NZ LYS A 63 3.642 -0.988 -4.091 1.00 22.30 N ATOM 0 H LYS A 63 -0.509 4.458 -5.076 1.00 70.21 H new ATOM 0 HA LYS A 63 1.503 3.209 -6.517 1.00 71.25 H new ATOM 0 HB2 LYS A 63 0.977 2.602 -4.236 1.00 72.55 H new ATOM 0 HB3 LYS A 63 -0.661 2.149 -4.666 1.00 72.55 H new ATOM 0 HG2 LYS A 63 0.532 0.110 -4.402 1.00 72.33 H new ATOM 0 HG3 LYS A 63 0.323 0.319 -6.129 1.00 72.33 H new ATOM 0 HD2 LYS A 63 2.595 1.042 -6.424 1.00 51.13 H new ATOM 0 HD3 LYS A 63 2.827 1.268 -4.702 1.00 51.13 H new ATOM 0 HE2 LYS A 63 1.980 -1.469 -5.313 1.00 64.11 H new ATOM 0 HE3 LYS A 63 3.430 -1.038 -6.198 1.00 64.11 H new ATOM 0 HZ1 LYS A 63 3.528 -1.966 -3.756 1.00 22.30 H new ATOM 0 HZ2 LYS A 63 4.644 -0.810 -4.303 1.00 22.30 H new ATOM 0 HZ3 LYS A 63 3.322 -0.329 -3.353 1.00 22.30 H new ATOM 1025 N GLU A 64 0.599 1.578 -8.211 1.00 54.32 N ATOM 1026 CA GLU A 64 0.093 0.847 -9.367 1.00 42.54 C ATOM 1027 C GLU A 64 -0.147 1.789 -10.544 1.00 0.32 C ATOM 1028 O GLU A 64 -0.848 1.445 -11.495 1.00 61.13 O ATOM 1029 CB GLU A 64 -1.204 0.118 -9.011 1.00 2.23 C ATOM 1030 CG GLU A 64 -1.293 -1.283 -9.591 1.00 75.20 C ATOM 1031 CD GLU A 64 -2.686 -1.873 -9.479 1.00 50.23 C ATOM 1032 OE1 GLU A 64 -3.557 -1.494 -10.291 1.00 2.05 O ATOM 1033 OE2 GLU A 64 -2.905 -2.712 -8.581 1.00 72.33 O ATOM 0 H GLU A 64 1.599 1.466 -8.045 1.00 54.32 H new ATOM 0 HA GLU A 64 0.845 0.114 -9.658 1.00 42.54 H new ATOM 0 HB2 GLU A 64 -1.292 0.059 -7.926 1.00 2.23 H new ATOM 0 HB3 GLU A 64 -2.050 0.705 -9.368 1.00 2.23 H new ATOM 0 HG2 GLU A 64 -0.996 -1.258 -10.640 1.00 75.20 H new ATOM 0 HG3 GLU A 64 -0.585 -1.932 -9.075 1.00 75.20 H new ATOM 1040 N SER A 65 0.440 2.980 -10.470 1.00 75.25 N ATOM 1041 CA SER A 65 0.286 3.974 -11.526 1.00 62.24 C ATOM 1042 C SER A 65 1.397 3.840 -12.564 1.00 74.30 C ATOM 1043 O SER A 65 2.558 3.614 -12.223 1.00 22.30 O ATOM 1044 CB SER A 65 0.294 5.384 -10.933 1.00 44.14 C ATOM 1045 OG SER A 65 0.527 6.358 -11.936 1.00 64.33 O ATOM 0 H SER A 65 1.026 3.279 -9.691 1.00 75.25 H new ATOM 0 HA SER A 65 -0.671 3.800 -12.018 1.00 62.24 H new ATOM 0 HB2 SER A 65 -0.660 5.582 -10.444 1.00 44.14 H new ATOM 0 HB3 SER A 65 1.066 5.455 -10.166 1.00 44.14 H new ATOM 0 HG SER A 65 -0.293 6.873 -12.089 1.00 64.33 H new ATOM 1051 N THR A 66 1.031 3.981 -13.834 1.00 70.45 N ATOM 1052 CA THR A 66 1.994 3.874 -14.923 1.00 50.42 C ATOM 1053 C THR A 66 2.024 5.150 -15.757 1.00 41.11 C ATOM 1054 O THR A 66 0.999 5.582 -16.286 1.00 43.54 O ATOM 1055 CB THR A 66 1.673 2.681 -15.843 1.00 11.02 C ATOM 1056 OG1 THR A 66 1.641 1.470 -15.080 1.00 74.40 O ATOM 1057 CG2 THR A 66 2.706 2.560 -16.953 1.00 30.02 C ATOM 0 H THR A 66 0.074 4.170 -14.134 1.00 70.45 H new ATOM 0 HA THR A 66 2.971 3.718 -14.466 1.00 50.42 H new ATOM 0 HB THR A 66 0.696 2.851 -16.295 1.00 11.02 H new ATOM 0 HG1 THR A 66 1.435 0.716 -15.671 1.00 74.40 H new ATOM 0 HG21 THR A 66 2.458 1.711 -17.590 1.00 30.02 H new ATOM 0 HG22 THR A 66 2.708 3.472 -17.550 1.00 30.02 H new ATOM 0 HG23 THR A 66 3.693 2.410 -16.516 1.00 30.02 H new ATOM 1065 N LEU A 67 3.204 5.749 -15.871 1.00 64.22 N ATOM 1066 CA LEU A 67 3.368 6.976 -16.642 1.00 44.24 C ATOM 1067 C LEU A 67 4.200 6.725 -17.896 1.00 62.30 C ATOM 1068 O LEU A 67 5.080 5.863 -17.907 1.00 43.44 O ATOM 1069 CB LEU A 67 4.031 8.056 -15.785 1.00 71.11 C ATOM 1070 CG LEU A 67 4.399 9.353 -16.506 1.00 1.31 C ATOM 1071 CD1 LEU A 67 3.165 10.217 -16.715 1.00 32.32 C ATOM 1072 CD2 LEU A 67 5.459 10.115 -15.724 1.00 43.31 C ATOM 0 H LEU A 67 4.062 5.405 -15.439 1.00 64.22 H new ATOM 0 HA LEU A 67 2.379 7.318 -16.947 1.00 44.24 H new ATOM 0 HB2 LEU A 67 3.361 8.300 -14.961 1.00 71.11 H new ATOM 0 HB3 LEU A 67 4.937 7.638 -15.346 1.00 71.11 H new ATOM 0 HG LEU A 67 4.809 9.099 -17.484 1.00 1.31 H new ATOM 0 HD11 LEU A 67 3.447 11.136 -17.230 1.00 32.32 H new ATOM 0 HD12 LEU A 67 2.437 9.673 -17.317 1.00 32.32 H new ATOM 0 HD13 LEU A 67 2.725 10.463 -15.749 1.00 32.32 H new ATOM 0 HD21 LEU A 67 5.709 11.035 -16.252 1.00 43.31 H new ATOM 0 HD22 LEU A 67 5.076 10.358 -14.733 1.00 43.31 H new ATOM 0 HD23 LEU A 67 6.353 9.499 -15.627 1.00 43.31 H new ATOM 1084 N HIS A 68 3.917 7.483 -18.950 1.00 40.51 N ATOM 1085 CA HIS A 68 4.641 7.345 -20.209 1.00 21.34 C ATOM 1086 C HIS A 68 5.872 8.245 -20.229 1.00 44.42 C ATOM 1087 O HIS A 68 5.838 9.372 -19.733 1.00 45.42 O ATOM 1088 CB HIS A 68 3.728 7.683 -21.387 1.00 15.20 C ATOM 1089 CG HIS A 68 2.555 6.761 -21.520 1.00 62.33 C ATOM 1090 ND1 HIS A 68 1.293 7.078 -21.065 1.00 74.44 N ATOM 1091 CD2 HIS A 68 2.459 5.524 -22.063 1.00 54.51 C ATOM 1092 CE1 HIS A 68 0.471 6.076 -21.321 1.00 34.50 C ATOM 1093 NE2 HIS A 68 1.153 5.121 -21.927 1.00 23.45 N ATOM 0 H HIS A 68 3.191 8.200 -18.958 1.00 40.51 H new ATOM 0 HA HIS A 68 4.969 6.309 -20.299 1.00 21.34 H new ATOM 0 HB2 HIS A 68 3.365 8.705 -21.273 1.00 15.20 H new ATOM 0 HB3 HIS A 68 4.310 7.652 -22.308 1.00 15.20 H new ATOM 0 HD1 HIS A 68 1.034 7.950 -20.603 1.00 74.44 H new ATOM 0 HD2 HIS A 68 3.260 4.960 -22.518 1.00 54.51 H new ATOM 0 HE1 HIS A 68 -0.580 6.043 -21.076 1.00 34.50 H new ATOM 1101 N LEU A 69 6.958 7.741 -20.805 1.00 4.43 N ATOM 1102 CA LEU A 69 8.202 8.500 -20.889 1.00 55.14 C ATOM 1103 C LEU A 69 8.630 8.683 -22.342 1.00 23.42 C ATOM 1104 O LEU A 69 8.678 7.723 -23.111 1.00 72.14 O ATOM 1105 CB LEU A 69 9.308 7.793 -20.104 1.00 52.50 C ATOM 1106 CG LEU A 69 9.647 8.391 -18.738 1.00 25.41 C ATOM 1107 CD1 LEU A 69 10.110 9.832 -18.885 1.00 65.45 C ATOM 1108 CD2 LEU A 69 8.447 8.307 -17.806 1.00 25.31 C ATOM 0 H LEU A 69 7.003 6.811 -21.221 1.00 4.43 H new ATOM 0 HA LEU A 69 8.029 9.484 -20.454 1.00 55.14 H new ATOM 0 HB2 LEU A 69 9.017 6.752 -19.961 1.00 52.50 H new ATOM 0 HB3 LEU A 69 10.213 7.790 -20.712 1.00 52.50 H new ATOM 0 HG LEU A 69 10.462 7.812 -18.302 1.00 25.41 H new ATOM 0 HD11 LEU A 69 10.347 10.240 -17.902 1.00 65.45 H new ATOM 0 HD12 LEU A 69 10.998 9.866 -19.516 1.00 65.45 H new ATOM 0 HD13 LEU A 69 9.317 10.424 -19.343 1.00 65.45 H new ATOM 0 HD21 LEU A 69 8.707 8.737 -16.839 1.00 25.31 H new ATOM 0 HD22 LEU A 69 7.612 8.860 -18.237 1.00 25.31 H new ATOM 0 HD23 LEU A 69 8.161 7.263 -17.674 1.00 25.31 H new ATOM 1120 N VAL A 70 8.944 9.921 -22.710 1.00 30.22 N ATOM 1121 CA VAL A 70 9.373 10.229 -24.069 1.00 13.12 C ATOM 1122 C VAL A 70 10.893 10.241 -24.176 1.00 4.21 C ATOM 1123 O VAL A 70 11.593 10.519 -23.201 1.00 43.11 O ATOM 1124 CB VAL A 70 8.825 11.591 -24.535 1.00 3.34 C ATOM 1125 CG1 VAL A 70 9.711 12.722 -24.034 1.00 14.22 C ATOM 1126 CG2 VAL A 70 8.707 11.627 -26.051 1.00 1.22 C ATOM 0 H VAL A 70 8.909 10.727 -22.086 1.00 30.22 H new ATOM 0 HA VAL A 70 8.973 9.445 -24.713 1.00 13.12 H new ATOM 0 HB VAL A 70 7.829 11.727 -24.113 1.00 3.34 H new ATOM 0 HG11 VAL A 70 9.309 13.677 -24.373 1.00 14.22 H new ATOM 0 HG12 VAL A 70 9.740 12.706 -22.944 1.00 14.22 H new ATOM 0 HG13 VAL A 70 10.720 12.594 -24.425 1.00 14.22 H new ATOM 0 HG21 VAL A 70 8.318 12.596 -26.363 1.00 1.22 H new ATOM 0 HG22 VAL A 70 9.689 11.470 -26.496 1.00 1.22 H new ATOM 0 HG23 VAL A 70 8.029 10.841 -26.382 1.00 1.22 H new ATOM 1136 N LEU A 71 11.399 9.939 -25.366 1.00 64.33 N ATOM 1137 CA LEU A 71 12.839 9.915 -25.602 1.00 51.12 C ATOM 1138 C LEU A 71 13.245 10.996 -26.598 1.00 42.35 C ATOM 1139 O LEU A 71 12.428 11.459 -27.395 1.00 3.34 O ATOM 1140 CB LEU A 71 13.268 8.541 -26.120 1.00 2.21 C ATOM 1141 CG LEU A 71 14.119 7.701 -25.167 1.00 34.42 C ATOM 1142 CD1 LEU A 71 13.331 7.355 -23.912 1.00 42.14 C ATOM 1143 CD2 LEU A 71 14.603 6.435 -25.860 1.00 5.43 C ATOM 0 H LEU A 71 10.834 9.707 -26.183 1.00 64.33 H new ATOM 0 HA LEU A 71 13.341 10.112 -24.655 1.00 51.12 H new ATOM 0 HB2 LEU A 71 12.372 7.973 -26.371 1.00 2.21 H new ATOM 0 HB3 LEU A 71 13.826 8.682 -27.046 1.00 2.21 H new ATOM 0 HG LEU A 71 14.990 8.288 -24.875 1.00 34.42 H new ATOM 0 HD11 LEU A 71 13.952 6.757 -23.245 1.00 42.14 H new ATOM 0 HD12 LEU A 71 13.033 8.273 -23.405 1.00 42.14 H new ATOM 0 HD13 LEU A 71 12.442 6.787 -24.186 1.00 42.14 H new ATOM 0 HD21 LEU A 71 15.207 5.849 -25.167 1.00 5.43 H new ATOM 0 HD22 LEU A 71 13.745 5.845 -26.181 1.00 5.43 H new ATOM 0 HD23 LEU A 71 15.204 6.703 -26.729 1.00 5.43 H new ATOM 1155 N ARG A 72 14.513 11.392 -26.550 1.00 12.44 N ATOM 1156 CA ARG A 72 15.028 12.418 -27.448 1.00 51.43 C ATOM 1157 C ARG A 72 16.000 11.817 -28.459 1.00 4.41 C ATOM 1158 O ARG A 72 17.053 11.295 -28.089 1.00 74.50 O ATOM 1159 CB ARG A 72 15.723 13.523 -26.651 1.00 12.35 C ATOM 1160 CG ARG A 72 16.305 14.627 -27.518 1.00 65.34 C ATOM 1161 CD ARG A 72 17.273 15.500 -26.735 1.00 33.15 C ATOM 1162 NE ARG A 72 18.604 14.905 -26.653 1.00 10.02 N ATOM 1163 CZ ARG A 72 19.028 14.191 -25.616 1.00 15.02 C ATOM 1164 NH1 ARG A 72 18.228 13.984 -24.579 1.00 21.24 N ATOM 1165 NH2 ARG A 72 20.253 13.682 -25.615 1.00 50.13 N ATOM 0 H ARG A 72 15.202 11.017 -25.898 1.00 12.44 H new ATOM 0 HA ARG A 72 14.185 12.847 -27.990 1.00 51.43 H new ATOM 0 HB2 ARG A 72 15.009 13.960 -25.953 1.00 12.35 H new ATOM 0 HB3 ARG A 72 16.522 13.082 -26.055 1.00 12.35 H new ATOM 0 HG2 ARG A 72 16.820 14.187 -28.372 1.00 65.34 H new ATOM 0 HG3 ARG A 72 15.498 15.243 -27.915 1.00 65.34 H new ATOM 0 HD2 ARG A 72 17.342 16.479 -27.209 1.00 33.15 H new ATOM 0 HD3 ARG A 72 16.885 15.659 -25.729 1.00 33.15 H new ATOM 0 HE ARG A 72 19.244 15.045 -27.435 1.00 10.02 H new ATOM 0 HH11 ARG A 72 17.285 14.373 -24.577 1.00 21.24 H new ATOM 0 HH12 ARG A 72 18.555 13.436 -23.784 1.00 21.24 H new ATOM 0 HH21 ARG A 72 20.871 13.839 -26.411 1.00 50.13 H new ATOM 0 HH22 ARG A 72 20.577 13.134 -24.818 1.00 50.13 H new ATOM 1179 N LEU A 73 15.642 11.895 -29.736 1.00 33.04 N ATOM 1180 CA LEU A 73 16.482 11.358 -30.800 1.00 41.45 C ATOM 1181 C LEU A 73 17.612 12.325 -31.142 1.00 30.44 C ATOM 1182 O LEU A 73 17.480 13.536 -30.966 1.00 24.04 O ATOM 1183 CB LEU A 73 15.642 11.077 -32.048 1.00 11.55 C ATOM 1184 CG LEU A 73 16.228 10.071 -33.039 1.00 13.41 C ATOM 1185 CD1 LEU A 73 16.263 8.679 -32.428 1.00 73.04 C ATOM 1186 CD2 LEU A 73 15.426 10.069 -34.332 1.00 61.43 C ATOM 0 H LEU A 73 14.775 12.325 -30.059 1.00 33.04 H new ATOM 0 HA LEU A 73 16.921 10.425 -30.447 1.00 41.45 H new ATOM 0 HB2 LEU A 73 14.664 10.716 -31.730 1.00 11.55 H new ATOM 0 HB3 LEU A 73 15.479 12.019 -32.571 1.00 11.55 H new ATOM 0 HG LEU A 73 17.251 10.369 -33.270 1.00 13.41 H new ATOM 0 HD11 LEU A 73 16.683 7.976 -33.148 1.00 73.04 H new ATOM 0 HD12 LEU A 73 16.881 8.691 -31.530 1.00 73.04 H new ATOM 0 HD13 LEU A 73 15.251 8.370 -32.168 1.00 73.04 H new ATOM 0 HD21 LEU A 73 15.857 9.347 -35.026 1.00 61.43 H new ATOM 0 HD22 LEU A 73 14.393 9.795 -34.119 1.00 61.43 H new ATOM 0 HD23 LEU A 73 15.453 11.063 -34.779 1.00 61.43 H new ATOM 1198 N ARG A 74 18.721 11.781 -31.632 1.00 72.33 N ATOM 1199 CA ARG A 74 19.873 12.595 -31.999 1.00 63.34 C ATOM 1200 C ARG A 74 20.118 12.544 -33.505 1.00 34.42 C ATOM 1201 O ARG A 74 20.582 11.535 -34.035 1.00 4.43 O ATOM 1202 CB ARG A 74 21.120 12.117 -31.253 1.00 44.01 C ATOM 1203 CG ARG A 74 20.893 11.894 -29.767 1.00 12.21 C ATOM 1204 CD ARG A 74 22.131 11.324 -29.093 1.00 60.21 C ATOM 1205 NE ARG A 74 23.212 12.303 -29.015 1.00 72.10 N ATOM 1206 CZ ARG A 74 24.416 12.031 -28.524 1.00 34.03 C ATOM 1207 NH1 ARG A 74 24.691 10.816 -28.070 1.00 2.12 N ATOM 1208 NH2 ARG A 74 25.347 12.975 -28.486 1.00 41.33 N ATOM 0 H ARG A 74 18.846 10.780 -31.784 1.00 72.33 H new ATOM 0 HA ARG A 74 19.662 13.627 -31.717 1.00 63.34 H new ATOM 0 HB2 ARG A 74 21.467 11.187 -31.702 1.00 44.01 H new ATOM 0 HB3 ARG A 74 21.915 12.851 -31.384 1.00 44.01 H new ATOM 0 HG2 ARG A 74 20.622 12.838 -29.294 1.00 12.21 H new ATOM 0 HG3 ARG A 74 20.054 11.213 -29.624 1.00 12.21 H new ATOM 0 HD2 ARG A 74 21.874 10.987 -28.089 1.00 60.21 H new ATOM 0 HD3 ARG A 74 22.474 10.449 -29.645 1.00 60.21 H new ATOM 0 HE ARG A 74 23.033 13.247 -29.356 1.00 72.10 H new ATOM 0 HH11 ARG A 74 23.977 10.088 -28.097 1.00 2.12 H new ATOM 0 HH12 ARG A 74 25.616 10.610 -27.693 1.00 2.12 H new ATOM 0 HH21 ARG A 74 25.139 13.911 -28.834 1.00 41.33 H new ATOM 0 HH22 ARG A 74 26.271 12.765 -28.109 1.00 41.33 H new ATOM 1222 N GLY A 75 19.800 13.639 -34.188 1.00 51.13 N ATOM 1223 CA GLY A 75 19.991 13.698 -35.626 1.00 2.14 C ATOM 1224 C GLY A 75 18.695 13.518 -36.391 1.00 1.21 C ATOM 1225 O GLY A 75 18.044 12.480 -36.287 1.00 71.44 O ATOM 0 H GLY A 75 19.414 14.486 -33.772 1.00 51.13 H new ATOM 0 HA2 GLY A 75 20.436 14.657 -35.891 1.00 2.14 H new ATOM 0 HA3 GLY A 75 20.698 12.925 -35.928 1.00 2.14 H new ATOM 1229 N GLY A 76 18.318 14.534 -37.161 1.00 43.52 N ATOM 1230 CA GLY A 76 17.092 14.465 -37.934 1.00 31.31 C ATOM 1231 C GLY A 76 16.788 15.762 -38.657 1.00 72.52 C ATOM 1232 O GLY A 76 15.640 15.978 -39.042 1.00 34.31 O ATOM 0 H GLY A 76 18.840 15.404 -37.263 1.00 43.52 H new ATOM 0 HA2 GLY A 76 17.170 13.657 -38.661 1.00 31.31 H new ATOM 0 HA3 GLY A 76 16.262 14.219 -37.272 1.00 31.31 H new