USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 553 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 53 LYS NZ :NH3+ -124:sc= 2.42 (180deg=0) USER MOD Set 1.2: A 54 GLN : amide:sc= -0.998! C(o=0.08!,f=-14!) USER MOD Set 1.3: A 80 GLN : amide:sc= -1.35! K(o=0.08!,f=-6.1) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0.628 (180deg=0.583) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= 0.301 (180deg=-0.892) USER MOD Single : A 31 SER OG : rot 156:sc= -0.952 USER MOD Single : A 36 LYS NZ :NH3+ -141:sc= 0.568 (180deg=-2.22!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.179 F(o=-0.88,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ -116:sc= -2.86! (180deg=-8.86!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0338 F(o=-0.91,f=-0.034) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0855 F(o=-2.3!,f=-0.085) USER MOD Single : A 60 TYR OH : rot -140:sc= -1.01 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -126:sc= -0.091 (180deg=-0.839) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.82! C(o=-3!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 4.028 -2.654 0.827 1.00 0.56 N ATOM 2 CA MET A 20 5.455 -2.633 0.384 1.00 0.61 C ATOM 3 C MET A 20 5.864 -1.171 0.126 1.00 0.54 C ATOM 4 O MET A 20 5.063 -0.299 0.407 1.00 0.56 O ATOM 5 CB MET A 20 5.591 -3.504 -0.908 1.00 0.67 C ATOM 6 CG MET A 20 5.428 -4.989 -0.507 1.00 1.16 C ATOM 7 SD MET A 20 3.880 -5.462 0.309 1.00 1.30 S ATOM 8 CE MET A 20 3.321 -6.690 -0.902 1.00 1.39 C ATOM 0 HA MET A 20 6.114 -3.047 1.147 1.00 0.61 H new ATOM 0 HB2 MET A 20 4.833 -3.222 -1.639 1.00 0.67 H new ATOM 0 HB3 MET A 20 6.562 -3.341 -1.376 1.00 0.67 H new ATOM 0 HG2 MET A 20 5.535 -5.595 -1.406 1.00 1.16 H new ATOM 0 HG3 MET A 20 6.253 -5.253 0.155 1.00 1.16 H new ATOM 0 HE1 MET A 20 2.367 -7.109 -0.581 1.00 1.39 H new ATOM 0 HE2 MET A 20 3.199 -6.213 -1.874 1.00 1.39 H new ATOM 0 HE3 MET A 20 4.060 -7.487 -0.979 1.00 1.39 H new ATOM 20 N LYS A 21 7.049 -0.950 -0.384 1.00 0.57 N ATOM 21 CA LYS A 21 7.537 0.440 -0.669 1.00 0.57 C ATOM 22 C LYS A 21 7.153 1.012 -2.021 1.00 0.48 C ATOM 23 O LYS A 21 7.012 0.325 -3.010 1.00 0.41 O ATOM 24 CB LYS A 21 9.088 0.468 -0.582 1.00 0.61 C ATOM 25 CG LYS A 21 9.559 0.833 0.806 1.00 0.72 C ATOM 26 CD LYS A 21 11.133 0.847 0.908 1.00 0.91 C ATOM 27 CE LYS A 21 11.911 -0.260 0.124 1.00 0.84 C ATOM 28 NZ LYS A 21 11.828 -1.644 0.681 1.00 1.15 N ATOM 0 H LYS A 21 7.714 -1.687 -0.620 1.00 0.57 H new ATOM 0 HA LYS A 21 7.048 1.059 0.083 1.00 0.57 H new ATOM 0 HB2 LYS A 21 9.486 -0.509 -0.857 1.00 0.61 H new ATOM 0 HB3 LYS A 21 9.481 1.187 -1.301 1.00 0.61 H new ATOM 0 HG2 LYS A 21 9.169 1.815 1.075 1.00 0.72 H new ATOM 0 HG3 LYS A 21 9.155 0.121 1.526 1.00 0.72 H new ATOM 0 HD2 LYS A 21 11.485 1.818 0.560 1.00 0.91 H new ATOM 0 HD3 LYS A 21 11.404 0.769 1.961 1.00 0.91 H new ATOM 0 HE2 LYS A 21 11.539 -0.280 -0.900 1.00 0.84 H new ATOM 0 HE3 LYS A 21 12.961 0.028 0.076 1.00 0.84 H new ATOM 0 HZ1 LYS A 21 12.420 -2.283 0.113 1.00 1.15 H new ATOM 0 HZ2 LYS A 21 12.165 -1.643 1.665 1.00 1.15 H new ATOM 0 HZ3 LYS A 21 10.841 -1.971 0.654 1.00 1.15 H new ATOM 42 N THR A 22 7.003 2.303 -1.932 1.00 0.50 N ATOM 43 CA THR A 22 6.637 3.187 -3.092 1.00 0.42 C ATOM 44 C THR A 22 7.591 4.368 -3.216 1.00 0.40 C ATOM 45 O THR A 22 7.478 5.187 -4.104 1.00 0.39 O ATOM 46 CB THR A 22 5.267 3.763 -2.923 1.00 0.36 C ATOM 47 OG1 THR A 22 5.297 4.325 -1.624 1.00 0.40 O ATOM 48 CG2 THR A 22 4.308 2.634 -2.774 1.00 0.42 C ATOM 0 H THR A 22 7.125 2.814 -1.058 1.00 0.50 H new ATOM 0 HA THR A 22 6.688 2.555 -3.979 1.00 0.42 H new ATOM 0 HB THR A 22 5.003 4.436 -3.739 1.00 0.36 H new ATOM 0 HG1 THR A 22 4.429 4.733 -1.424 1.00 0.40 H new ATOM 0 HG21 THR A 22 3.299 3.028 -2.649 1.00 0.42 H new ATOM 0 HG22 THR A 22 4.345 2.006 -3.664 1.00 0.42 H new ATOM 0 HG23 THR A 22 4.577 2.041 -1.900 1.00 0.42 H new ATOM 56 N GLU A 23 8.491 4.396 -2.274 1.00 0.51 N ATOM 57 CA GLU A 23 9.542 5.452 -2.188 1.00 0.49 C ATOM 58 C GLU A 23 10.700 4.713 -1.582 1.00 0.45 C ATOM 59 O GLU A 23 10.435 3.829 -0.792 1.00 0.37 O ATOM 60 CB GLU A 23 9.095 6.580 -1.291 1.00 0.41 C ATOM 61 CG GLU A 23 7.923 7.320 -2.018 1.00 0.78 C ATOM 62 CD GLU A 23 7.699 8.686 -1.405 1.00 0.92 C ATOM 63 OE1 GLU A 23 8.665 9.306 -0.981 1.00 1.68 O ATOM 64 OE2 GLU A 23 6.544 9.070 -1.398 1.00 1.17 O ATOM 0 H GLU A 23 8.544 3.701 -1.529 1.00 0.51 H new ATOM 0 HA GLU A 23 9.776 5.913 -3.147 1.00 0.49 H new ATOM 0 HB2 GLU A 23 8.766 6.195 -0.326 1.00 0.41 H new ATOM 0 HB3 GLU A 23 9.920 7.266 -1.097 1.00 0.41 H new ATOM 0 HG2 GLU A 23 8.153 7.424 -3.079 1.00 0.78 H new ATOM 0 HG3 GLU A 23 7.011 6.728 -1.946 1.00 0.78 H new ATOM 71 N TRP A 24 11.922 5.045 -1.894 1.00 0.49 N ATOM 72 CA TRP A 24 13.015 4.243 -1.261 1.00 0.40 C ATOM 73 C TRP A 24 14.120 4.994 -0.523 1.00 0.41 C ATOM 74 O TRP A 24 15.251 5.035 -0.973 1.00 0.43 O ATOM 75 CB TRP A 24 13.595 3.331 -2.393 1.00 0.42 C ATOM 76 CG TRP A 24 12.584 2.271 -2.895 1.00 0.32 C ATOM 77 CD1 TRP A 24 12.721 0.975 -2.529 1.00 0.27 C ATOM 78 CD2 TRP A 24 11.469 2.403 -3.680 1.00 0.39 C ATOM 79 NE1 TRP A 24 11.688 0.380 -3.092 1.00 0.34 N ATOM 80 CE2 TRP A 24 10.888 1.151 -3.798 1.00 0.40 C ATOM 81 CE3 TRP A 24 10.854 3.461 -4.343 1.00 0.43 C ATOM 82 CZ2 TRP A 24 9.746 0.934 -4.529 1.00 0.47 C ATOM 83 CZ3 TRP A 24 9.696 3.250 -5.089 1.00 0.49 C ATOM 84 CH2 TRP A 24 9.142 1.992 -5.182 1.00 0.50 C ATOM 0 H TRP A 24 12.206 5.795 -2.525 1.00 0.49 H new ATOM 0 HA TRP A 24 12.563 3.690 -0.438 1.00 0.40 H new ATOM 0 HB2 TRP A 24 13.905 3.955 -3.231 1.00 0.42 H new ATOM 0 HB3 TRP A 24 14.488 2.827 -2.024 1.00 0.42 H new ATOM 0 HD1 TRP A 24 13.495 0.532 -1.919 1.00 0.27 H new ATOM 0 HE1 TRP A 24 11.518 -0.620 -2.987 1.00 0.34 H new ATOM 0 HE3 TRP A 24 11.277 4.453 -4.279 1.00 0.43 H new ATOM 0 HZ2 TRP A 24 9.322 -0.057 -4.593 1.00 0.47 H new ATOM 0 HZ3 TRP A 24 9.229 4.080 -5.599 1.00 0.49 H new ATOM 0 HH2 TRP A 24 8.244 1.834 -5.760 1.00 0.50 H new ATOM 95 N PRO A 25 13.789 5.567 0.618 1.00 0.41 N ATOM 96 CA PRO A 25 14.844 6.092 1.542 1.00 0.50 C ATOM 97 C PRO A 25 15.922 4.983 1.590 1.00 0.41 C ATOM 98 O PRO A 25 17.094 5.229 1.413 1.00 0.45 O ATOM 99 CB PRO A 25 14.046 6.368 2.848 1.00 0.58 C ATOM 100 CG PRO A 25 12.705 5.586 2.658 1.00 0.34 C ATOM 101 CD PRO A 25 12.411 5.724 1.155 1.00 0.38 C ATOM 0 HA PRO A 25 15.379 7.005 1.282 1.00 0.50 H new ATOM 0 HB2 PRO A 25 14.589 6.019 3.726 1.00 0.58 H new ATOM 0 HB3 PRO A 25 13.868 7.434 2.987 1.00 0.58 H new ATOM 0 HG2 PRO A 25 12.806 4.541 2.952 1.00 0.34 H new ATOM 0 HG3 PRO A 25 11.904 6.011 3.263 1.00 0.34 H new ATOM 0 HD2 PRO A 25 11.729 4.956 0.790 1.00 0.38 H new ATOM 0 HD3 PRO A 25 11.970 6.688 0.901 1.00 0.38 H new ATOM 109 N GLU A 26 15.394 3.813 1.816 1.00 0.30 N ATOM 110 CA GLU A 26 16.111 2.494 1.918 1.00 0.35 C ATOM 111 C GLU A 26 17.252 2.333 0.879 1.00 0.33 C ATOM 112 O GLU A 26 18.265 1.695 1.100 1.00 0.46 O ATOM 113 CB GLU A 26 15.056 1.393 1.725 1.00 0.34 C ATOM 114 CG GLU A 26 15.713 -0.009 1.915 1.00 1.13 C ATOM 115 CD GLU A 26 14.701 -1.084 1.564 1.00 1.30 C ATOM 116 OE1 GLU A 26 13.926 -1.445 2.425 1.00 1.40 O ATOM 117 OE2 GLU A 26 14.714 -1.515 0.426 1.00 1.78 O ATOM 0 H GLU A 26 14.388 3.707 1.948 1.00 0.30 H new ATOM 0 HA GLU A 26 16.594 2.430 2.893 1.00 0.35 H new ATOM 0 HB2 GLU A 26 14.245 1.525 2.441 1.00 0.34 H new ATOM 0 HB3 GLU A 26 14.618 1.467 0.730 1.00 0.34 H new ATOM 0 HG2 GLU A 26 16.594 -0.100 1.280 1.00 1.13 H new ATOM 0 HG3 GLU A 26 16.049 -0.130 2.945 1.00 1.13 H new ATOM 124 N LEU A 27 17.045 2.933 -0.260 1.00 0.18 N ATOM 125 CA LEU A 27 18.024 2.880 -1.376 1.00 0.16 C ATOM 126 C LEU A 27 18.987 4.049 -1.513 1.00 0.20 C ATOM 127 O LEU A 27 19.962 3.898 -2.224 1.00 0.31 O ATOM 128 CB LEU A 27 17.226 2.727 -2.676 1.00 0.32 C ATOM 129 CG LEU A 27 16.756 1.285 -2.864 1.00 0.63 C ATOM 130 CD1 LEU A 27 15.744 1.238 -4.023 1.00 0.91 C ATOM 131 CD2 LEU A 27 17.985 0.436 -3.218 1.00 1.10 C ATOM 0 H LEU A 27 16.207 3.476 -0.467 1.00 0.18 H new ATOM 0 HA LEU A 27 18.678 2.037 -1.152 1.00 0.16 H new ATOM 0 HB2 LEU A 27 16.365 3.395 -2.659 1.00 0.32 H new ATOM 0 HB3 LEU A 27 17.844 3.025 -3.523 1.00 0.32 H new ATOM 0 HG LEU A 27 16.282 0.906 -1.959 1.00 0.63 H new ATOM 0 HD11 LEU A 27 15.402 0.213 -4.166 1.00 0.91 H new ATOM 0 HD12 LEU A 27 14.892 1.876 -3.788 1.00 0.91 H new ATOM 0 HD13 LEU A 27 16.221 1.592 -4.937 1.00 0.91 H new ATOM 0 HD21 LEU A 27 17.682 -0.602 -3.359 1.00 1.10 H new ATOM 0 HD22 LEU A 27 18.434 0.811 -4.138 1.00 1.10 H new ATOM 0 HD23 LEU A 27 18.713 0.495 -2.409 1.00 1.10 H new ATOM 143 N VAL A 28 18.771 5.173 -0.893 1.00 0.26 N ATOM 144 CA VAL A 28 19.765 6.281 -1.079 1.00 0.50 C ATOM 145 C VAL A 28 21.163 5.735 -0.709 1.00 0.58 C ATOM 146 O VAL A 28 21.344 5.160 0.348 1.00 0.61 O ATOM 147 CB VAL A 28 19.367 7.451 -0.164 1.00 0.73 C ATOM 148 CG1 VAL A 28 20.339 8.614 -0.395 1.00 1.05 C ATOM 149 CG2 VAL A 28 17.940 7.928 -0.483 1.00 0.71 C ATOM 0 H VAL A 28 17.979 5.377 -0.283 1.00 0.26 H new ATOM 0 HA VAL A 28 19.783 6.637 -2.109 1.00 0.50 H new ATOM 0 HB VAL A 28 19.405 7.116 0.873 1.00 0.73 H new ATOM 0 HG11 VAL A 28 20.066 9.450 0.249 1.00 1.05 H new ATOM 0 HG12 VAL A 28 21.354 8.292 -0.161 1.00 1.05 H new ATOM 0 HG13 VAL A 28 20.289 8.928 -1.438 1.00 1.05 H new ATOM 0 HG21 VAL A 28 17.678 8.756 0.175 1.00 0.71 H new ATOM 0 HG22 VAL A 28 17.890 8.259 -1.520 1.00 0.71 H new ATOM 0 HG23 VAL A 28 17.239 7.107 -0.330 1.00 0.71 H new ATOM 159 N GLY A 29 22.102 5.930 -1.589 1.00 0.65 N ATOM 160 CA GLY A 29 23.494 5.432 -1.345 1.00 0.81 C ATOM 161 C GLY A 29 23.714 4.031 -1.939 1.00 0.77 C ATOM 162 O GLY A 29 24.801 3.503 -1.817 1.00 0.87 O ATOM 0 H GLY A 29 21.970 6.416 -2.476 1.00 0.65 H new ATOM 0 HA2 GLY A 29 24.210 6.128 -1.782 1.00 0.81 H new ATOM 0 HA3 GLY A 29 23.688 5.406 -0.273 1.00 0.81 H new ATOM 166 N LYS A 30 22.699 3.467 -2.551 1.00 0.66 N ATOM 167 CA LYS A 30 22.801 2.091 -3.176 1.00 0.70 C ATOM 168 C LYS A 30 22.993 2.159 -4.699 1.00 0.58 C ATOM 169 O LYS A 30 22.731 3.186 -5.300 1.00 0.57 O ATOM 170 CB LYS A 30 21.498 1.300 -2.893 1.00 0.73 C ATOM 171 CG LYS A 30 21.404 0.937 -1.396 1.00 1.03 C ATOM 172 CD LYS A 30 22.319 -0.278 -1.103 1.00 1.38 C ATOM 173 CE LYS A 30 21.489 -1.513 -0.719 1.00 2.10 C ATOM 174 NZ LYS A 30 20.537 -1.814 -1.834 1.00 2.49 N ATOM 0 H LYS A 30 21.783 3.905 -2.650 1.00 0.66 H new ATOM 0 HA LYS A 30 23.669 1.600 -2.737 1.00 0.70 H new ATOM 0 HB2 LYS A 30 20.633 1.896 -3.184 1.00 0.73 H new ATOM 0 HB3 LYS A 30 21.478 0.392 -3.496 1.00 0.73 H new ATOM 0 HG2 LYS A 30 21.704 1.788 -0.785 1.00 1.03 H new ATOM 0 HG3 LYS A 30 20.373 0.702 -1.131 1.00 1.03 H new ATOM 0 HD2 LYS A 30 22.925 -0.501 -1.981 1.00 1.38 H new ATOM 0 HD3 LYS A 30 23.008 -0.033 -0.295 1.00 1.38 H new ATOM 0 HE2 LYS A 30 22.142 -2.367 -0.539 1.00 2.10 H new ATOM 0 HE3 LYS A 30 20.942 -1.329 0.206 1.00 2.10 H new ATOM 0 HZ1 LYS A 30 19.671 -2.240 -1.446 1.00 2.49 H new ATOM 0 HZ2 LYS A 30 20.296 -0.933 -2.332 1.00 2.49 H new ATOM 0 HZ3 LYS A 30 20.981 -2.478 -2.500 1.00 2.49 H new ATOM 188 N SER A 31 23.426 1.070 -5.292 1.00 0.53 N ATOM 189 CA SER A 31 23.617 1.117 -6.780 1.00 0.42 C ATOM 190 C SER A 31 22.219 1.206 -7.391 1.00 0.28 C ATOM 191 O SER A 31 21.247 0.724 -6.831 1.00 0.25 O ATOM 192 CB SER A 31 24.309 -0.166 -7.263 1.00 0.49 C ATOM 193 OG SER A 31 23.376 -1.200 -6.965 1.00 0.54 O ATOM 0 H SER A 31 23.648 0.185 -4.835 1.00 0.53 H new ATOM 0 HA SER A 31 24.237 1.965 -7.071 1.00 0.42 H new ATOM 0 HB2 SER A 31 24.528 -0.123 -8.330 1.00 0.49 H new ATOM 0 HB3 SER A 31 25.257 -0.325 -6.749 1.00 0.49 H new ATOM 0 HG SER A 31 23.537 -1.966 -7.555 1.00 0.54 H new ATOM 199 N VAL A 32 22.132 1.834 -8.523 1.00 0.24 N ATOM 200 CA VAL A 32 20.790 1.924 -9.125 1.00 0.16 C ATOM 201 C VAL A 32 20.305 0.511 -9.479 1.00 0.25 C ATOM 202 O VAL A 32 19.180 0.185 -9.201 1.00 0.31 O ATOM 203 CB VAL A 32 20.910 2.851 -10.322 1.00 0.15 C ATOM 204 CG1 VAL A 32 21.614 2.157 -11.485 1.00 0.35 C ATOM 205 CG2 VAL A 32 19.496 3.256 -10.665 1.00 0.26 C ATOM 0 H VAL A 32 22.898 2.271 -9.037 1.00 0.24 H new ATOM 0 HA VAL A 32 20.042 2.336 -8.448 1.00 0.16 H new ATOM 0 HB VAL A 32 21.519 3.727 -10.101 1.00 0.15 H new ATOM 0 HG11 VAL A 32 21.686 2.844 -12.328 1.00 0.35 H new ATOM 0 HG12 VAL A 32 22.615 1.855 -11.176 1.00 0.35 H new ATOM 0 HG13 VAL A 32 21.044 1.276 -11.782 1.00 0.35 H new ATOM 0 HG21 VAL A 32 19.508 3.928 -11.523 1.00 0.26 H new ATOM 0 HG22 VAL A 32 18.912 2.368 -10.907 1.00 0.26 H new ATOM 0 HG23 VAL A 32 19.046 3.765 -9.812 1.00 0.26 H new ATOM 215 N GLU A 33 21.101 -0.328 -10.079 1.00 0.27 N ATOM 216 CA GLU A 33 20.606 -1.687 -10.389 1.00 0.35 C ATOM 217 C GLU A 33 20.126 -2.278 -9.049 1.00 0.33 C ATOM 218 O GLU A 33 19.053 -2.853 -9.048 1.00 0.39 O ATOM 219 CB GLU A 33 21.792 -2.404 -11.081 1.00 0.40 C ATOM 220 CG GLU A 33 22.237 -1.511 -12.329 1.00 0.53 C ATOM 221 CD GLU A 33 21.086 -1.044 -13.243 1.00 0.98 C ATOM 222 OE1 GLU A 33 20.028 -1.653 -13.297 1.00 1.16 O ATOM 223 OE2 GLU A 33 21.300 -0.040 -13.901 1.00 1.89 O ATOM 0 H GLU A 33 22.061 -0.131 -10.363 1.00 0.27 H new ATOM 0 HA GLU A 33 19.758 -1.765 -11.069 1.00 0.35 H new ATOM 0 HB2 GLU A 33 22.622 -2.530 -10.385 1.00 0.40 H new ATOM 0 HB3 GLU A 33 21.498 -3.401 -11.409 1.00 0.40 H new ATOM 0 HG2 GLU A 33 22.765 -0.632 -11.958 1.00 0.53 H new ATOM 0 HG3 GLU A 33 22.948 -2.080 -12.928 1.00 0.53 H new ATOM 230 N GLU A 34 20.847 -2.157 -7.952 1.00 0.31 N ATOM 231 CA GLU A 34 20.294 -2.740 -6.677 1.00 0.34 C ATOM 232 C GLU A 34 18.927 -2.062 -6.477 1.00 0.39 C ATOM 233 O GLU A 34 17.942 -2.705 -6.192 1.00 0.35 O ATOM 234 CB GLU A 34 21.121 -2.378 -5.451 1.00 0.38 C ATOM 235 CG GLU A 34 22.379 -3.233 -5.185 1.00 1.13 C ATOM 236 CD GLU A 34 23.017 -2.569 -3.971 1.00 1.24 C ATOM 237 OE1 GLU A 34 22.615 -2.990 -2.898 1.00 0.99 O ATOM 238 OE2 GLU A 34 23.820 -1.676 -4.205 1.00 2.75 O ATOM 0 H GLU A 34 21.756 -1.700 -7.881 1.00 0.31 H new ATOM 0 HA GLU A 34 20.272 -3.826 -6.768 1.00 0.34 H new ATOM 0 HB2 GLU A 34 21.431 -1.337 -5.545 1.00 0.38 H new ATOM 0 HB3 GLU A 34 20.476 -2.441 -4.575 1.00 0.38 H new ATOM 0 HG2 GLU A 34 22.121 -4.273 -4.983 1.00 1.13 H new ATOM 0 HG3 GLU A 34 23.052 -3.232 -6.042 1.00 1.13 H new ATOM 245 N ALA A 35 18.896 -0.764 -6.608 1.00 0.46 N ATOM 246 CA ALA A 35 17.627 -0.036 -6.443 1.00 0.50 C ATOM 247 C ALA A 35 16.556 -0.688 -7.297 1.00 0.55 C ATOM 248 O ALA A 35 15.500 -0.979 -6.796 1.00 0.56 O ATOM 249 CB ALA A 35 17.853 1.431 -6.849 1.00 0.46 C ATOM 0 H ALA A 35 19.705 -0.182 -6.824 1.00 0.46 H new ATOM 0 HA ALA A 35 17.293 -0.068 -5.406 1.00 0.50 H new ATOM 0 HB1 ALA A 35 16.923 1.988 -6.734 1.00 0.46 H new ATOM 0 HB2 ALA A 35 18.621 1.871 -6.212 1.00 0.46 H new ATOM 0 HB3 ALA A 35 18.176 1.475 -7.889 1.00 0.46 H new ATOM 255 N LYS A 36 16.824 -0.922 -8.543 1.00 0.56 N ATOM 256 CA LYS A 36 15.813 -1.559 -9.421 1.00 0.56 C ATOM 257 C LYS A 36 15.451 -2.869 -8.776 1.00 0.56 C ATOM 258 O LYS A 36 14.288 -3.105 -8.560 1.00 0.57 O ATOM 259 CB LYS A 36 16.446 -1.731 -10.804 1.00 0.57 C ATOM 260 CG LYS A 36 16.853 -0.339 -11.323 1.00 0.49 C ATOM 261 CD LYS A 36 17.096 -0.505 -12.812 1.00 0.51 C ATOM 262 CE LYS A 36 17.795 0.707 -13.392 1.00 0.45 C ATOM 263 NZ LYS A 36 18.689 0.237 -14.488 1.00 0.72 N ATOM 0 H LYS A 36 17.709 -0.697 -8.997 1.00 0.56 H new ATOM 0 HA LYS A 36 14.904 -0.970 -9.546 1.00 0.56 H new ATOM 0 HB2 LYS A 36 17.317 -2.384 -10.745 1.00 0.57 H new ATOM 0 HB3 LYS A 36 15.741 -2.201 -11.489 1.00 0.57 H new ATOM 0 HG2 LYS A 36 16.068 0.393 -11.135 1.00 0.49 H new ATOM 0 HG3 LYS A 36 17.750 0.019 -10.818 1.00 0.49 H new ATOM 0 HD2 LYS A 36 17.700 -1.395 -12.987 1.00 0.51 H new ATOM 0 HD3 LYS A 36 16.146 -0.659 -13.323 1.00 0.51 H new ATOM 0 HE2 LYS A 36 17.066 1.422 -13.774 1.00 0.45 H new ATOM 0 HE3 LYS A 36 18.372 1.220 -12.622 1.00 0.45 H new ATOM 0 HZ1 LYS A 36 19.579 0.774 -14.464 1.00 0.72 H new ATOM 0 HZ2 LYS A 36 18.892 -0.775 -14.361 1.00 0.72 H new ATOM 0 HZ3 LYS A 36 18.221 0.384 -15.405 1.00 0.72 H new ATOM 277 N LYS A 37 16.415 -3.688 -8.473 1.00 0.54 N ATOM 278 CA LYS A 37 16.083 -4.988 -7.820 1.00 0.55 C ATOM 279 C LYS A 37 15.126 -4.772 -6.632 1.00 0.58 C ATOM 280 O LYS A 37 14.104 -5.415 -6.526 1.00 0.71 O ATOM 281 CB LYS A 37 17.390 -5.651 -7.333 1.00 0.50 C ATOM 282 CG LYS A 37 18.218 -6.147 -8.531 1.00 1.84 C ATOM 283 CD LYS A 37 17.418 -7.207 -9.375 1.00 3.38 C ATOM 284 CE LYS A 37 16.786 -8.332 -8.504 1.00 3.70 C ATOM 285 NZ LYS A 37 15.936 -9.175 -9.405 1.00 5.66 N ATOM 0 H LYS A 37 17.406 -3.521 -8.645 1.00 0.54 H new ATOM 0 HA LYS A 37 15.585 -5.635 -8.542 1.00 0.55 H new ATOM 0 HB2 LYS A 37 17.973 -4.937 -6.751 1.00 0.50 H new ATOM 0 HB3 LYS A 37 17.157 -6.486 -6.673 1.00 0.50 H new ATOM 0 HG2 LYS A 37 18.488 -5.302 -9.165 1.00 1.84 H new ATOM 0 HG3 LYS A 37 19.149 -6.589 -8.175 1.00 1.84 H new ATOM 0 HD2 LYS A 37 16.629 -6.700 -9.930 1.00 3.38 H new ATOM 0 HD3 LYS A 37 18.086 -7.657 -10.109 1.00 3.38 H new ATOM 0 HE2 LYS A 37 17.563 -8.936 -8.035 1.00 3.70 H new ATOM 0 HE3 LYS A 37 16.186 -7.904 -7.701 1.00 3.70 H new ATOM 0 HZ1 LYS A 37 15.497 -9.939 -8.853 1.00 5.66 H new ATOM 0 HZ2 LYS A 37 15.193 -8.586 -9.833 1.00 5.66 H new ATOM 0 HZ3 LYS A 37 16.527 -9.586 -10.156 1.00 5.66 H new ATOM 299 N VAL A 38 15.487 -3.857 -5.779 1.00 0.49 N ATOM 300 CA VAL A 38 14.674 -3.526 -4.574 1.00 0.49 C ATOM 301 C VAL A 38 13.278 -3.064 -4.986 1.00 0.48 C ATOM 302 O VAL A 38 12.283 -3.591 -4.544 1.00 0.49 O ATOM 303 CB VAL A 38 15.453 -2.437 -3.807 1.00 0.45 C ATOM 304 CG1 VAL A 38 14.588 -1.785 -2.736 1.00 0.39 C ATOM 305 CG2 VAL A 38 16.686 -3.064 -3.124 1.00 0.48 C ATOM 0 H VAL A 38 16.341 -3.306 -5.870 1.00 0.49 H new ATOM 0 HA VAL A 38 14.524 -4.394 -3.932 1.00 0.49 H new ATOM 0 HB VAL A 38 15.757 -1.677 -4.527 1.00 0.45 H new ATOM 0 HG11 VAL A 38 15.167 -1.023 -2.215 1.00 0.39 H new ATOM 0 HG12 VAL A 38 13.718 -1.324 -3.202 1.00 0.39 H new ATOM 0 HG13 VAL A 38 14.259 -2.541 -2.023 1.00 0.39 H new ATOM 0 HG21 VAL A 38 17.234 -2.292 -2.583 1.00 0.48 H new ATOM 0 HG22 VAL A 38 16.362 -3.836 -2.426 1.00 0.48 H new ATOM 0 HG23 VAL A 38 17.334 -3.507 -3.880 1.00 0.48 H new ATOM 315 N ILE A 39 13.248 -2.084 -5.835 1.00 0.45 N ATOM 316 CA ILE A 39 11.978 -1.514 -6.339 1.00 0.46 C ATOM 317 C ILE A 39 11.185 -2.692 -6.876 1.00 0.51 C ATOM 318 O ILE A 39 10.011 -2.746 -6.620 1.00 0.49 O ATOM 319 CB ILE A 39 12.466 -0.439 -7.318 1.00 0.43 C ATOM 320 CG1 ILE A 39 12.996 0.671 -6.339 1.00 0.35 C ATOM 321 CG2 ILE A 39 11.318 0.134 -8.149 1.00 0.50 C ATOM 322 CD1 ILE A 39 13.940 1.648 -6.987 1.00 0.34 C ATOM 0 H ILE A 39 14.084 -1.639 -6.214 1.00 0.45 H new ATOM 0 HA ILE A 39 11.287 -1.028 -5.650 1.00 0.46 H new ATOM 0 HB ILE A 39 13.196 -0.818 -8.033 1.00 0.43 H new ATOM 0 HG12 ILE A 39 12.147 1.217 -5.929 1.00 0.35 H new ATOM 0 HG13 ILE A 39 13.502 0.192 -5.500 1.00 0.35 H new ATOM 0 HG21 ILE A 39 11.705 0.892 -8.830 1.00 0.50 H new ATOM 0 HG22 ILE A 39 10.851 -0.666 -8.724 1.00 0.50 H new ATOM 0 HG23 ILE A 39 10.579 0.585 -7.487 1.00 0.50 H new ATOM 0 HD11 ILE A 39 14.264 2.384 -6.251 1.00 0.34 H new ATOM 0 HD12 ILE A 39 14.808 1.114 -7.372 1.00 0.34 H new ATOM 0 HD13 ILE A 39 13.432 2.155 -7.808 1.00 0.34 H new ATOM 334 N LEU A 40 11.780 -3.603 -7.588 1.00 0.57 N ATOM 335 CA LEU A 40 11.001 -4.772 -8.087 1.00 0.61 C ATOM 336 C LEU A 40 10.621 -5.639 -6.862 1.00 0.60 C ATOM 337 O LEU A 40 9.532 -6.163 -6.826 1.00 0.60 O ATOM 338 CB LEU A 40 11.880 -5.560 -9.087 1.00 0.72 C ATOM 339 CG LEU A 40 12.184 -4.680 -10.301 1.00 0.75 C ATOM 340 CD1 LEU A 40 13.020 -5.513 -11.260 1.00 0.83 C ATOM 341 CD2 LEU A 40 10.885 -4.254 -10.993 1.00 0.72 C ATOM 0 H LEU A 40 12.767 -3.592 -7.847 1.00 0.57 H new ATOM 0 HA LEU A 40 10.091 -4.465 -8.603 1.00 0.61 H new ATOM 0 HB2 LEU A 40 12.808 -5.869 -8.607 1.00 0.72 H new ATOM 0 HB3 LEU A 40 11.366 -6.468 -9.402 1.00 0.72 H new ATOM 0 HG LEU A 40 12.714 -3.779 -9.993 1.00 0.75 H new ATOM 0 HD11 LEU A 40 13.260 -4.920 -12.143 1.00 0.83 H new ATOM 0 HD12 LEU A 40 13.943 -5.819 -10.767 1.00 0.83 H new ATOM 0 HD13 LEU A 40 12.458 -6.398 -11.559 1.00 0.83 H new ATOM 0 HD21 LEU A 40 11.120 -3.629 -11.854 1.00 0.72 H new ATOM 0 HD22 LEU A 40 10.342 -5.139 -11.324 1.00 0.72 H new ATOM 0 HD23 LEU A 40 10.268 -3.691 -10.293 1.00 0.72 H new ATOM 353 N GLN A 41 11.485 -5.798 -5.897 1.00 0.60 N ATOM 354 CA GLN A 41 11.148 -6.621 -4.695 1.00 0.62 C ATOM 355 C GLN A 41 9.840 -6.062 -4.073 1.00 0.57 C ATOM 356 O GLN A 41 8.903 -6.784 -3.798 1.00 0.71 O ATOM 357 CB GLN A 41 12.319 -6.541 -3.658 1.00 0.61 C ATOM 358 CG GLN A 41 13.606 -7.314 -4.136 1.00 1.33 C ATOM 359 CD GLN A 41 14.859 -7.025 -3.273 1.00 1.25 C ATOM 360 OE1 GLN A 41 14.774 -6.302 -2.202 1.00 1.65 O flip ATOM 361 NE2 GLN A 41 15.962 -7.454 -3.560 1.00 0.77 N flip ATOM 0 H GLN A 41 12.420 -5.390 -5.888 1.00 0.60 H new ATOM 0 HA GLN A 41 11.006 -7.665 -4.976 1.00 0.62 H new ATOM 0 HB2 GLN A 41 12.572 -5.496 -3.482 1.00 0.61 H new ATOM 0 HB3 GLN A 41 11.985 -6.953 -2.706 1.00 0.61 H new ATOM 0 HG2 GLN A 41 13.403 -8.385 -4.120 1.00 1.33 H new ATOM 0 HG3 GLN A 41 13.818 -7.045 -5.171 1.00 1.33 H new ATOM 0 HE21 GLN A 41 16.085 -8.029 -4.394 1.00 0.77 H new ATOM 0 HE22 GLN A 41 16.763 -7.238 -2.967 1.00 0.77 H new ATOM 370 N ASP A 42 9.841 -4.774 -3.887 1.00 0.38 N ATOM 371 CA ASP A 42 8.710 -4.026 -3.311 1.00 0.34 C ATOM 372 C ASP A 42 7.511 -3.987 -4.263 1.00 0.40 C ATOM 373 O ASP A 42 6.387 -4.299 -3.917 1.00 0.42 O ATOM 374 CB ASP A 42 9.255 -2.629 -3.028 1.00 0.30 C ATOM 375 CG ASP A 42 10.212 -2.580 -1.858 1.00 0.56 C ATOM 376 OD1 ASP A 42 9.784 -2.911 -0.770 1.00 0.13 O ATOM 377 OD2 ASP A 42 11.337 -2.191 -2.085 1.00 1.43 O ATOM 0 H ASP A 42 10.635 -4.182 -4.130 1.00 0.38 H new ATOM 0 HA ASP A 42 8.335 -4.501 -2.404 1.00 0.34 H new ATOM 0 HB2 ASP A 42 9.763 -2.259 -3.918 1.00 0.30 H new ATOM 0 HB3 ASP A 42 8.421 -1.955 -2.833 1.00 0.30 H new ATOM 382 N LYS A 43 7.841 -3.594 -5.450 1.00 0.41 N ATOM 383 CA LYS A 43 6.906 -3.440 -6.564 1.00 0.48 C ATOM 384 C LYS A 43 7.316 -4.225 -7.850 1.00 0.58 C ATOM 385 O LYS A 43 7.751 -3.660 -8.828 1.00 0.64 O ATOM 386 CB LYS A 43 6.864 -1.936 -6.681 1.00 0.45 C ATOM 387 CG LYS A 43 5.863 -1.614 -7.743 1.00 0.49 C ATOM 388 CD LYS A 43 5.489 -0.126 -7.697 1.00 0.45 C ATOM 389 CE LYS A 43 4.785 0.179 -8.974 1.00 0.45 C ATOM 390 NZ LYS A 43 3.679 -0.840 -9.159 1.00 0.85 N ATOM 0 H LYS A 43 8.801 -3.357 -5.700 1.00 0.41 H new ATOM 0 HA LYS A 43 5.920 -3.878 -6.407 1.00 0.48 H new ATOM 0 HB2 LYS A 43 6.580 -1.482 -5.732 1.00 0.45 H new ATOM 0 HB3 LYS A 43 7.846 -1.541 -6.942 1.00 0.45 H new ATOM 0 HG2 LYS A 43 6.271 -1.862 -8.723 1.00 0.49 H new ATOM 0 HG3 LYS A 43 4.970 -2.224 -7.606 1.00 0.49 H new ATOM 0 HD2 LYS A 43 4.847 0.085 -6.842 1.00 0.45 H new ATOM 0 HD3 LYS A 43 6.379 0.493 -7.589 1.00 0.45 H new ATOM 0 HE2 LYS A 43 4.373 1.188 -8.949 1.00 0.45 H new ATOM 0 HE3 LYS A 43 5.482 0.140 -9.811 1.00 0.45 H new ATOM 0 HZ1 LYS A 43 3.873 -1.413 -10.005 1.00 0.85 H new ATOM 0 HZ2 LYS A 43 3.634 -1.459 -8.325 1.00 0.85 H new ATOM 0 HZ3 LYS A 43 2.770 -0.348 -9.274 1.00 0.85 H new ATOM 404 N PRO A 44 7.155 -5.522 -7.808 1.00 0.62 N ATOM 405 CA PRO A 44 7.576 -6.468 -8.892 1.00 0.70 C ATOM 406 C PRO A 44 7.479 -6.010 -10.343 1.00 0.66 C ATOM 407 O PRO A 44 8.375 -6.210 -11.132 1.00 0.55 O ATOM 408 CB PRO A 44 6.742 -7.695 -8.572 1.00 0.96 C ATOM 409 CG PRO A 44 6.809 -7.709 -7.033 1.00 0.71 C ATOM 410 CD PRO A 44 6.525 -6.247 -6.673 1.00 0.58 C ATOM 0 HA PRO A 44 8.656 -6.617 -8.871 1.00 0.70 H new ATOM 0 HB2 PRO A 44 5.719 -7.605 -8.939 1.00 0.96 H new ATOM 0 HB3 PRO A 44 7.159 -8.602 -9.010 1.00 0.96 H new ATOM 0 HG2 PRO A 44 6.070 -8.384 -6.601 1.00 0.71 H new ATOM 0 HG3 PRO A 44 7.785 -8.033 -6.673 1.00 0.71 H new ATOM 0 HD2 PRO A 44 5.456 -6.044 -6.602 1.00 0.58 H new ATOM 0 HD3 PRO A 44 6.966 -5.969 -5.716 1.00 0.58 H new ATOM 418 N GLU A 45 6.380 -5.404 -10.648 1.00 0.81 N ATOM 419 CA GLU A 45 6.119 -4.897 -12.031 1.00 0.90 C ATOM 420 C GLU A 45 6.707 -3.506 -12.308 1.00 0.84 C ATOM 421 O GLU A 45 6.819 -3.094 -13.445 1.00 1.09 O ATOM 422 CB GLU A 45 4.572 -4.974 -12.155 1.00 1.08 C ATOM 423 CG GLU A 45 3.949 -4.007 -13.212 1.00 3.19 C ATOM 424 CD GLU A 45 4.053 -2.524 -12.802 1.00 4.26 C ATOM 425 OE1 GLU A 45 3.979 -2.258 -11.607 1.00 4.32 O ATOM 426 OE2 GLU A 45 4.201 -1.730 -13.708 1.00 5.26 O ATOM 0 H GLU A 45 5.624 -5.229 -9.986 1.00 0.81 H new ATOM 0 HA GLU A 45 6.622 -5.491 -12.794 1.00 0.90 H new ATOM 0 HB2 GLU A 45 4.293 -5.996 -12.410 1.00 1.08 H new ATOM 0 HB3 GLU A 45 4.133 -4.757 -11.181 1.00 1.08 H new ATOM 0 HG2 GLU A 45 4.451 -4.150 -14.169 1.00 3.19 H new ATOM 0 HG3 GLU A 45 2.900 -4.265 -13.360 1.00 3.19 H new ATOM 433 N ALA A 46 7.076 -2.834 -11.255 1.00 0.76 N ATOM 434 CA ALA A 46 7.650 -1.467 -11.387 1.00 0.71 C ATOM 435 C ALA A 46 8.306 -1.062 -12.736 1.00 0.92 C ATOM 436 O ALA A 46 9.284 -1.607 -13.222 1.00 1.07 O ATOM 437 CB ALA A 46 8.697 -1.237 -10.256 1.00 0.54 C ATOM 0 H ALA A 46 7.004 -3.178 -10.297 1.00 0.76 H new ATOM 0 HA ALA A 46 6.767 -0.831 -11.320 1.00 0.71 H new ATOM 0 HB1 ALA A 46 9.120 -0.237 -10.349 1.00 0.54 H new ATOM 0 HB2 ALA A 46 8.212 -1.337 -9.285 1.00 0.54 H new ATOM 0 HB3 ALA A 46 9.493 -1.977 -10.341 1.00 0.54 H new ATOM 443 N GLN A 47 7.716 -0.061 -13.313 1.00 0.98 N ATOM 444 CA GLN A 47 8.227 0.467 -14.606 1.00 1.15 C ATOM 445 C GLN A 47 9.260 1.479 -14.056 1.00 0.99 C ATOM 446 O GLN A 47 8.990 2.649 -13.891 1.00 0.99 O ATOM 447 CB GLN A 47 7.023 1.104 -15.329 1.00 1.34 C ATOM 448 CG GLN A 47 6.172 -0.004 -16.032 1.00 0.77 C ATOM 449 CD GLN A 47 6.675 -0.296 -17.444 1.00 0.98 C ATOM 450 OE1 GLN A 47 7.808 0.170 -17.854 1.00 1.93 O flip ATOM 451 NE2 GLN A 47 6.048 -0.960 -18.237 1.00 1.28 N flip ATOM 0 H GLN A 47 6.895 0.420 -12.944 1.00 0.98 H new ATOM 0 HA GLN A 47 8.666 -0.217 -15.332 1.00 1.15 H new ATOM 0 HB2 GLN A 47 6.406 1.649 -14.614 1.00 1.34 H new ATOM 0 HB3 GLN A 47 7.372 1.828 -16.066 1.00 1.34 H new ATOM 0 HG2 GLN A 47 6.204 -0.918 -15.439 1.00 0.77 H new ATOM 0 HG3 GLN A 47 5.130 0.311 -16.076 1.00 0.77 H new ATOM 0 HE21 GLN A 47 5.146 -1.355 -17.971 1.00 1.28 H new ATOM 0 HE22 GLN A 47 6.421 -1.125 -19.172 1.00 1.28 H new ATOM 460 N ILE A 48 10.411 0.927 -13.759 1.00 0.87 N ATOM 461 CA ILE A 48 11.601 1.670 -13.198 1.00 0.68 C ATOM 462 C ILE A 48 12.452 2.481 -14.220 1.00 0.60 C ATOM 463 O ILE A 48 13.237 1.987 -15.005 1.00 0.55 O ATOM 464 CB ILE A 48 12.527 0.649 -12.472 1.00 0.60 C ATOM 465 CG1 ILE A 48 11.636 -0.233 -11.572 1.00 0.81 C ATOM 466 CG2 ILE A 48 13.468 1.414 -11.522 1.00 0.50 C ATOM 467 CD1 ILE A 48 12.460 -1.223 -10.754 1.00 0.49 C ATOM 0 H ILE A 48 10.589 -0.069 -13.889 1.00 0.87 H new ATOM 0 HA ILE A 48 11.179 2.419 -12.527 1.00 0.68 H new ATOM 0 HB ILE A 48 13.087 0.069 -13.205 1.00 0.60 H new ATOM 0 HG12 ILE A 48 11.058 0.401 -10.900 1.00 0.81 H new ATOM 0 HG13 ILE A 48 10.922 -0.778 -12.190 1.00 0.81 H new ATOM 0 HG21 ILE A 48 14.120 0.707 -11.009 1.00 0.50 H new ATOM 0 HG22 ILE A 48 14.073 2.115 -12.096 1.00 0.50 H new ATOM 0 HG23 ILE A 48 12.877 1.961 -10.788 1.00 0.50 H new ATOM 0 HD11 ILE A 48 11.795 -1.825 -10.134 1.00 0.49 H new ATOM 0 HD12 ILE A 48 13.018 -1.875 -11.426 1.00 0.49 H new ATOM 0 HD13 ILE A 48 13.156 -0.678 -10.117 1.00 0.49 H new ATOM 479 N ILE A 49 12.207 3.748 -14.104 1.00 0.62 N ATOM 480 CA ILE A 49 12.784 4.898 -14.871 1.00 0.68 C ATOM 481 C ILE A 49 13.926 5.619 -14.104 1.00 0.62 C ATOM 482 O ILE A 49 14.012 5.459 -12.910 1.00 0.42 O ATOM 483 CB ILE A 49 11.626 5.785 -15.097 1.00 0.74 C ATOM 484 CG1 ILE A 49 10.667 4.961 -15.995 1.00 0.79 C ATOM 485 CG2 ILE A 49 12.080 7.176 -15.614 1.00 0.75 C ATOM 486 CD1 ILE A 49 9.557 5.813 -16.420 1.00 0.97 C ATOM 0 H ILE A 49 11.535 4.076 -13.410 1.00 0.62 H new ATOM 0 HA ILE A 49 13.256 4.575 -15.798 1.00 0.68 H new ATOM 0 HB ILE A 49 11.081 6.065 -14.195 1.00 0.74 H new ATOM 0 HG12 ILE A 49 11.202 4.579 -16.865 1.00 0.79 H new ATOM 0 HG13 ILE A 49 10.290 4.097 -15.448 1.00 0.79 H new ATOM 0 HG21 ILE A 49 11.206 7.808 -15.772 1.00 0.75 H new ATOM 0 HG22 ILE A 49 12.737 7.641 -14.879 1.00 0.75 H new ATOM 0 HG23 ILE A 49 12.616 7.057 -16.555 1.00 0.75 H new ATOM 0 HD11 ILE A 49 8.879 5.239 -17.052 1.00 0.97 H new ATOM 0 HD12 ILE A 49 9.019 6.173 -15.543 1.00 0.97 H new ATOM 0 HD13 ILE A 49 9.945 6.663 -16.982 1.00 0.97 H new ATOM 498 N VAL A 50 14.772 6.398 -14.740 1.00 0.80 N ATOM 499 CA VAL A 50 15.893 7.125 -14.056 1.00 0.75 C ATOM 500 C VAL A 50 16.020 8.645 -14.416 1.00 0.88 C ATOM 501 O VAL A 50 15.723 9.034 -15.527 1.00 1.02 O ATOM 502 CB VAL A 50 17.230 6.416 -14.405 1.00 0.76 C ATOM 503 CG1 VAL A 50 18.377 7.011 -13.579 1.00 0.72 C ATOM 504 CG2 VAL A 50 17.150 4.922 -14.083 1.00 0.72 C ATOM 0 H VAL A 50 14.728 6.565 -15.745 1.00 0.80 H new ATOM 0 HA VAL A 50 15.665 7.091 -12.991 1.00 0.75 H new ATOM 0 HB VAL A 50 17.411 6.560 -15.470 1.00 0.76 H new ATOM 0 HG11 VAL A 50 19.309 6.505 -13.833 1.00 0.72 H new ATOM 0 HG12 VAL A 50 18.470 8.075 -13.799 1.00 0.72 H new ATOM 0 HG13 VAL A 50 18.169 6.876 -12.518 1.00 0.72 H new ATOM 0 HG21 VAL A 50 18.097 4.444 -14.335 1.00 0.72 H new ATOM 0 HG22 VAL A 50 16.948 4.789 -13.020 1.00 0.72 H new ATOM 0 HG23 VAL A 50 16.348 4.467 -14.664 1.00 0.72 H new ATOM 514 N LEU A 51 16.444 9.444 -13.472 1.00 0.89 N ATOM 515 CA LEU A 51 16.648 10.923 -13.619 1.00 1.01 C ATOM 516 C LEU A 51 17.689 11.305 -12.521 1.00 1.00 C ATOM 517 O LEU A 51 18.167 10.407 -11.843 1.00 0.89 O ATOM 518 CB LEU A 51 15.296 11.657 -13.381 1.00 0.96 C ATOM 519 CG LEU A 51 14.812 11.418 -11.931 1.00 0.62 C ATOM 520 CD1 LEU A 51 13.793 12.511 -11.568 1.00 0.49 C ATOM 521 CD2 LEU A 51 14.044 10.119 -11.820 1.00 0.48 C ATOM 0 H LEU A 51 16.674 9.106 -12.538 1.00 0.89 H new ATOM 0 HA LEU A 51 16.999 11.203 -14.612 1.00 1.01 H new ATOM 0 HB2 LEU A 51 15.416 12.725 -13.562 1.00 0.96 H new ATOM 0 HB3 LEU A 51 14.548 11.296 -14.087 1.00 0.96 H new ATOM 0 HG LEU A 51 15.691 11.411 -11.287 1.00 0.62 H new ATOM 0 HD11 LEU A 51 13.442 12.357 -10.548 1.00 0.49 H new ATOM 0 HD12 LEU A 51 14.267 13.490 -11.645 1.00 0.49 H new ATOM 0 HD13 LEU A 51 12.947 12.462 -12.254 1.00 0.49 H new ATOM 0 HD21 LEU A 51 13.716 9.977 -10.790 1.00 0.48 H new ATOM 0 HD22 LEU A 51 13.174 10.153 -12.476 1.00 0.48 H new ATOM 0 HD23 LEU A 51 14.688 9.290 -12.113 1.00 0.48 H new ATOM 533 N GLU A 52 17.978 12.582 -12.386 1.00 1.12 N ATOM 534 CA GLU A 52 18.953 13.134 -11.372 1.00 1.17 C ATOM 535 C GLU A 52 18.430 12.969 -9.908 1.00 1.20 C ATOM 536 O GLU A 52 18.552 11.960 -9.238 1.00 2.01 O ATOM 537 CB GLU A 52 19.205 14.666 -11.842 1.00 1.37 C ATOM 538 CG GLU A 52 19.813 14.737 -13.302 1.00 1.48 C ATOM 539 CD GLU A 52 19.998 16.187 -13.828 1.00 1.91 C ATOM 540 OE1 GLU A 52 20.852 16.878 -13.291 1.00 2.63 O ATOM 541 OE2 GLU A 52 19.267 16.520 -14.748 1.00 1.84 O ATOM 0 H GLU A 52 17.555 13.304 -12.969 1.00 1.12 H new ATOM 0 HA GLU A 52 19.898 12.591 -11.344 1.00 1.17 H new ATOM 0 HB2 GLU A 52 18.264 15.215 -11.812 1.00 1.37 H new ATOM 0 HB3 GLU A 52 19.882 15.155 -11.142 1.00 1.37 H new ATOM 0 HG2 GLU A 52 20.778 14.231 -13.310 1.00 1.48 H new ATOM 0 HG3 GLU A 52 19.161 14.192 -13.985 1.00 1.48 H new ATOM 548 N LYS A 53 17.864 14.052 -9.514 1.00 0.90 N ATOM 549 CA LYS A 53 17.223 14.311 -8.197 1.00 1.00 C ATOM 550 C LYS A 53 15.718 14.030 -8.415 1.00 1.11 C ATOM 551 O LYS A 53 15.346 13.426 -9.401 1.00 1.06 O ATOM 552 CB LYS A 53 17.444 15.809 -7.764 1.00 1.52 C ATOM 553 CG LYS A 53 17.456 15.969 -6.188 1.00 2.38 C ATOM 554 CD LYS A 53 17.362 17.502 -5.843 1.00 3.14 C ATOM 555 CE LYS A 53 17.744 17.864 -4.377 1.00 3.96 C ATOM 556 NZ LYS A 53 16.752 17.322 -3.390 1.00 5.42 N ATOM 0 H LYS A 53 17.812 14.868 -10.124 1.00 0.90 H new ATOM 0 HA LYS A 53 17.644 13.687 -7.409 1.00 1.00 H new ATOM 0 HB2 LYS A 53 18.387 16.171 -8.173 1.00 1.52 H new ATOM 0 HB3 LYS A 53 16.654 16.430 -8.187 1.00 1.52 H new ATOM 0 HG2 LYS A 53 16.619 15.429 -5.746 1.00 2.38 H new ATOM 0 HG3 LYS A 53 18.368 15.542 -5.770 1.00 2.38 H new ATOM 0 HD2 LYS A 53 18.014 18.054 -6.521 1.00 3.14 H new ATOM 0 HD3 LYS A 53 16.344 17.842 -6.033 1.00 3.14 H new ATOM 0 HE2 LYS A 53 18.734 17.468 -4.151 1.00 3.96 H new ATOM 0 HE3 LYS A 53 17.803 18.948 -4.274 1.00 3.96 H new ATOM 0 HZ1 LYS A 53 16.381 18.100 -2.808 1.00 5.42 H new ATOM 0 HZ2 LYS A 53 15.968 16.867 -3.900 1.00 5.42 H new ATOM 0 HZ3 LYS A 53 17.218 16.623 -2.777 1.00 5.42 H new ATOM 570 N GLN A 54 14.896 14.478 -7.500 1.00 1.55 N ATOM 571 CA GLN A 54 13.404 14.274 -7.596 1.00 2.00 C ATOM 572 C GLN A 54 12.859 15.311 -8.608 1.00 2.04 C ATOM 573 O GLN A 54 12.061 16.174 -8.297 1.00 2.46 O ATOM 574 CB GLN A 54 12.726 14.520 -6.211 1.00 2.57 C ATOM 575 CG GLN A 54 13.441 13.759 -5.065 1.00 3.39 C ATOM 576 CD GLN A 54 13.894 14.772 -4.007 1.00 2.85 C ATOM 577 OE1 GLN A 54 14.715 15.631 -4.259 1.00 1.65 O ATOM 578 NE2 GLN A 54 13.413 14.749 -2.804 1.00 3.83 N ATOM 0 H GLN A 54 15.196 14.989 -6.670 1.00 1.55 H new ATOM 0 HA GLN A 54 13.189 13.253 -7.911 1.00 2.00 H new ATOM 0 HB2 GLN A 54 12.728 15.588 -5.992 1.00 2.57 H new ATOM 0 HB3 GLN A 54 11.683 14.206 -6.258 1.00 2.57 H new ATOM 0 HG2 GLN A 54 12.768 13.025 -4.621 1.00 3.39 H new ATOM 0 HG3 GLN A 54 14.299 13.210 -5.454 1.00 3.39 H new ATOM 0 HE21 GLN A 54 12.721 14.046 -2.545 1.00 3.83 H new ATOM 0 HE22 GLN A 54 13.727 15.434 -2.116 1.00 3.83 H new ATOM 587 N ALA A 55 13.312 15.195 -9.821 1.00 1.61 N ATOM 588 CA ALA A 55 12.872 16.135 -10.898 1.00 1.62 C ATOM 589 C ALA A 55 11.798 15.569 -11.842 1.00 1.49 C ATOM 590 O ALA A 55 12.083 15.112 -12.929 1.00 1.33 O ATOM 591 CB ALA A 55 14.126 16.543 -11.693 1.00 1.32 C ATOM 0 H ALA A 55 13.977 14.482 -10.121 1.00 1.61 H new ATOM 0 HA ALA A 55 12.393 16.989 -10.419 1.00 1.62 H new ATOM 0 HB1 ALA A 55 13.844 17.231 -12.490 1.00 1.32 H new ATOM 0 HB2 ALA A 55 14.836 17.032 -11.026 1.00 1.32 H new ATOM 0 HB3 ALA A 55 14.587 15.655 -12.126 1.00 1.32 H new ATOM 597 N VAL A 56 10.581 15.611 -11.375 1.00 1.76 N ATOM 598 CA VAL A 56 9.421 15.116 -12.165 1.00 1.66 C ATOM 599 C VAL A 56 8.519 16.308 -12.503 1.00 1.29 C ATOM 600 O VAL A 56 8.409 17.306 -11.815 1.00 1.40 O ATOM 601 CB VAL A 56 8.668 14.081 -11.318 1.00 2.27 C ATOM 602 CG1 VAL A 56 7.997 14.718 -10.086 1.00 2.90 C ATOM 603 CG2 VAL A 56 7.569 13.413 -12.166 1.00 2.50 C ATOM 0 H VAL A 56 10.337 15.978 -10.455 1.00 1.76 H new ATOM 0 HA VAL A 56 9.744 14.646 -13.094 1.00 1.66 H new ATOM 0 HB VAL A 56 9.403 13.351 -10.980 1.00 2.27 H new ATOM 0 HG11 VAL A 56 7.476 13.948 -9.517 1.00 2.90 H new ATOM 0 HG12 VAL A 56 8.757 15.183 -9.457 1.00 2.90 H new ATOM 0 HG13 VAL A 56 7.283 15.474 -10.411 1.00 2.90 H new ATOM 0 HG21 VAL A 56 7.038 12.679 -11.560 1.00 2.50 H new ATOM 0 HG22 VAL A 56 6.868 14.171 -12.516 1.00 2.50 H new ATOM 0 HG23 VAL A 56 8.023 12.916 -13.023 1.00 2.50 H new ATOM 613 N ASP A 57 7.902 16.087 -13.611 1.00 1.93 N ATOM 614 CA ASP A 57 6.944 16.997 -14.281 1.00 2.05 C ATOM 615 C ASP A 57 5.769 16.123 -14.771 1.00 2.53 C ATOM 616 O ASP A 57 5.369 15.141 -14.173 1.00 3.09 O ATOM 617 CB ASP A 57 7.811 17.670 -15.395 1.00 2.69 C ATOM 618 CG ASP A 57 8.754 16.629 -16.020 1.00 3.36 C ATOM 619 OD1 ASP A 57 8.229 15.546 -16.243 1.00 4.34 O ATOM 620 OD2 ASP A 57 9.902 16.991 -16.217 1.00 3.21 O ATOM 0 H ASP A 57 8.038 15.221 -14.133 1.00 1.93 H new ATOM 0 HA ASP A 57 6.484 17.780 -13.678 1.00 2.05 H new ATOM 0 HB2 ASP A 57 7.166 18.097 -16.163 1.00 2.69 H new ATOM 0 HB3 ASP A 57 8.390 18.491 -14.972 1.00 2.69 H new ATOM 625 N ASN A 58 5.227 16.543 -15.865 1.00 2.66 N ATOM 626 CA ASN A 58 4.083 15.807 -16.496 1.00 3.09 C ATOM 627 C ASN A 58 4.551 15.298 -17.894 1.00 2.70 C ATOM 628 O ASN A 58 3.745 15.003 -18.755 1.00 3.12 O ATOM 629 CB ASN A 58 2.880 16.809 -16.575 1.00 4.29 C ATOM 630 CG ASN A 58 2.368 17.227 -15.186 1.00 5.06 C ATOM 631 OD1 ASN A 58 2.911 16.800 -14.091 1.00 5.63 O flip ATOM 632 ND2 ASN A 58 1.427 17.979 -15.065 1.00 5.34 N flip ATOM 0 H ASN A 58 5.524 17.379 -16.368 1.00 2.66 H new ATOM 0 HA ASN A 58 3.762 14.935 -15.926 1.00 3.09 H new ATOM 0 HB2 ASN A 58 3.187 17.697 -17.128 1.00 4.29 H new ATOM 0 HB3 ASN A 58 2.066 16.350 -17.136 1.00 4.29 H new ATOM 0 HD21 ASN A 58 0.959 18.348 -15.893 1.00 5.34 H new ATOM 0 HD22 ASN A 58 1.102 18.244 -14.135 1.00 5.34 H new ATOM 639 N ALA A 59 5.859 15.219 -18.040 1.00 2.25 N ATOM 640 CA ALA A 59 6.551 14.755 -19.293 1.00 2.65 C ATOM 641 C ALA A 59 5.914 13.548 -20.021 1.00 2.89 C ATOM 642 O ALA A 59 5.408 13.619 -21.121 1.00 3.18 O ATOM 643 CB ALA A 59 8.030 14.478 -18.858 1.00 3.19 C ATOM 0 H ALA A 59 6.509 15.473 -17.296 1.00 2.25 H new ATOM 0 HA ALA A 59 6.464 15.529 -20.056 1.00 2.65 H new ATOM 0 HB1 ALA A 59 8.604 14.134 -19.718 1.00 3.19 H new ATOM 0 HB2 ALA A 59 8.473 15.395 -18.469 1.00 3.19 H new ATOM 0 HB3 ALA A 59 8.044 13.712 -18.083 1.00 3.19 H new ATOM 649 N TYR A 60 6.018 12.474 -19.308 1.00 2.78 N ATOM 650 CA TYR A 60 5.527 11.118 -19.654 1.00 2.94 C ATOM 651 C TYR A 60 4.263 10.751 -18.847 1.00 2.77 C ATOM 652 O TYR A 60 3.586 11.607 -18.312 1.00 2.44 O ATOM 653 CB TYR A 60 6.752 10.252 -19.372 1.00 2.99 C ATOM 654 CG TYR A 60 7.227 10.310 -17.901 1.00 1.83 C ATOM 655 CD1 TYR A 60 6.550 11.004 -16.908 1.00 0.27 C ATOM 656 CD2 TYR A 60 8.390 9.646 -17.561 1.00 2.57 C ATOM 657 CE1 TYR A 60 7.033 11.026 -15.628 1.00 1.10 C ATOM 658 CE2 TYR A 60 8.860 9.674 -16.263 1.00 2.04 C ATOM 659 CZ TYR A 60 8.179 10.364 -15.299 1.00 1.41 C ATOM 660 OH TYR A 60 8.601 10.381 -13.991 1.00 2.30 O ATOM 0 H TYR A 60 6.476 12.489 -18.397 1.00 2.78 H new ATOM 0 HA TYR A 60 5.183 10.999 -20.681 1.00 2.94 H new ATOM 0 HB2 TYR A 60 6.523 9.218 -19.630 1.00 2.99 H new ATOM 0 HB3 TYR A 60 7.568 10.569 -20.021 1.00 2.99 H new ATOM 0 HD1 TYR A 60 5.637 11.529 -17.147 1.00 0.27 H new ATOM 0 HD2 TYR A 60 8.936 9.101 -18.317 1.00 2.57 H new ATOM 0 HE1 TYR A 60 6.499 11.576 -14.867 1.00 1.10 H new ATOM 0 HE2 TYR A 60 9.769 9.149 -16.008 1.00 2.04 H new ATOM 0 HH TYR A 60 9.576 10.479 -13.963 1.00 2.30 H new ATOM 670 N ALA A 61 3.998 9.484 -18.787 1.00 3.06 N ATOM 671 CA ALA A 61 2.809 9.002 -18.038 1.00 2.98 C ATOM 672 C ALA A 61 2.531 9.614 -16.631 1.00 2.15 C ATOM 673 O ALA A 61 3.404 9.897 -15.822 1.00 2.18 O ATOM 674 CB ALA A 61 2.937 7.464 -17.926 1.00 3.55 C ATOM 0 H ALA A 61 4.557 8.753 -19.227 1.00 3.06 H new ATOM 0 HA ALA A 61 1.947 9.341 -18.613 1.00 2.98 H new ATOM 0 HB1 ALA A 61 2.081 7.066 -17.381 1.00 3.55 H new ATOM 0 HB2 ALA A 61 2.966 7.028 -18.924 1.00 3.55 H new ATOM 0 HB3 ALA A 61 3.855 7.213 -17.394 1.00 3.55 H new ATOM 680 N GLU A 62 1.251 9.763 -16.446 1.00 1.59 N ATOM 681 CA GLU A 62 0.541 10.301 -15.242 1.00 0.88 C ATOM 682 C GLU A 62 0.992 9.612 -13.963 1.00 0.45 C ATOM 683 O GLU A 62 1.778 8.690 -14.034 1.00 0.44 O ATOM 684 CB GLU A 62 -0.948 10.089 -15.558 1.00 0.75 C ATOM 685 CG GLU A 62 -1.348 8.543 -15.636 1.00 2.04 C ATOM 686 CD GLU A 62 -0.739 7.650 -16.755 1.00 2.62 C ATOM 687 OE1 GLU A 62 -0.420 8.165 -17.812 1.00 2.70 O ATOM 688 OE2 GLU A 62 -0.632 6.457 -16.500 1.00 3.61 O ATOM 0 H GLU A 62 0.589 9.499 -17.176 1.00 1.59 H new ATOM 0 HA GLU A 62 0.760 11.352 -15.055 1.00 0.88 H new ATOM 0 HB2 GLU A 62 -1.551 10.578 -14.793 1.00 0.75 H new ATOM 0 HB3 GLU A 62 -1.186 10.570 -16.507 1.00 0.75 H new ATOM 0 HG2 GLU A 62 -1.089 8.090 -14.679 1.00 2.04 H new ATOM 0 HG3 GLU A 62 -2.433 8.491 -15.730 1.00 2.04 H new ATOM 695 N TYR A 63 0.531 10.027 -12.809 1.00 0.69 N ATOM 696 CA TYR A 63 1.011 9.298 -11.592 1.00 0.98 C ATOM 697 C TYR A 63 0.591 7.831 -11.732 1.00 0.97 C ATOM 698 O TYR A 63 -0.575 7.480 -11.628 1.00 1.21 O ATOM 699 CB TYR A 63 0.386 9.805 -10.258 1.00 1.33 C ATOM 700 CG TYR A 63 0.822 8.742 -9.170 1.00 1.56 C ATOM 701 CD1 TYR A 63 2.065 8.764 -8.563 1.00 2.47 C ATOM 702 CD2 TYR A 63 -0.014 7.687 -8.837 1.00 1.02 C ATOM 703 CE1 TYR A 63 2.454 7.759 -7.663 1.00 2.65 C ATOM 704 CE2 TYR A 63 0.375 6.699 -7.946 1.00 1.17 C ATOM 705 CZ TYR A 63 1.617 6.733 -7.356 1.00 1.91 C ATOM 706 OH TYR A 63 2.064 5.766 -6.475 1.00 2.13 O ATOM 0 H TYR A 63 -0.121 10.796 -12.657 1.00 0.69 H new ATOM 0 HA TYR A 63 2.088 9.455 -11.540 1.00 0.98 H new ATOM 0 HB2 TYR A 63 0.750 10.801 -10.005 1.00 1.33 H new ATOM 0 HB3 TYR A 63 -0.699 9.872 -10.331 1.00 1.33 H new ATOM 0 HD1 TYR A 63 2.749 9.570 -8.786 1.00 2.47 H new ATOM 0 HD2 TYR A 63 -0.996 7.634 -9.284 1.00 1.02 H new ATOM 0 HE1 TYR A 63 3.433 7.802 -7.208 1.00 2.65 H new ATOM 0 HE2 TYR A 63 -0.305 5.893 -7.712 1.00 1.17 H new ATOM 0 HH TYR A 63 1.364 5.093 -6.345 1.00 2.13 H new ATOM 716 N ARG A 64 1.573 7.020 -11.979 1.00 0.82 N ATOM 717 CA ARG A 64 1.266 5.579 -12.116 1.00 0.99 C ATOM 718 C ARG A 64 1.817 4.876 -10.895 1.00 1.28 C ATOM 719 O ARG A 64 3.003 4.935 -10.628 1.00 1.67 O ATOM 720 CB ARG A 64 1.946 4.921 -13.330 1.00 0.85 C ATOM 721 CG ARG A 64 1.426 5.447 -14.649 1.00 0.67 C ATOM 722 CD ARG A 64 1.916 4.476 -15.741 1.00 1.09 C ATOM 723 NE ARG A 64 1.127 3.202 -15.542 1.00 1.74 N ATOM 724 CZ ARG A 64 0.308 2.797 -16.435 1.00 2.36 C ATOM 725 NH1 ARG A 64 -0.533 3.665 -16.857 1.00 2.32 N ATOM 726 NH2 ARG A 64 0.354 1.590 -16.855 1.00 3.22 N ATOM 0 H ARG A 64 2.552 7.284 -12.090 1.00 0.82 H new ATOM 0 HA ARG A 64 0.186 5.492 -12.234 1.00 0.99 H new ATOM 0 HB2 ARG A 64 3.021 5.091 -13.275 1.00 0.85 H new ATOM 0 HB3 ARG A 64 1.791 3.843 -13.287 1.00 0.85 H new ATOM 0 HG2 ARG A 64 0.337 5.502 -14.641 1.00 0.67 H new ATOM 0 HG3 ARG A 64 1.795 6.456 -14.835 1.00 0.67 H new ATOM 0 HD2 ARG A 64 1.748 4.889 -16.736 1.00 1.09 H new ATOM 0 HD3 ARG A 64 2.986 4.292 -15.649 1.00 1.09 H new ATOM 0 HE ARG A 64 1.250 2.660 -14.686 1.00 1.74 H new ATOM 0 HH11 ARG A 64 -0.520 4.613 -16.480 1.00 2.32 H new ATOM 0 HH12 ARG A 64 -1.216 3.409 -17.570 1.00 2.32 H new ATOM 0 HH21 ARG A 64 1.047 0.945 -16.477 1.00 3.22 H new ATOM 0 HH22 ARG A 64 -0.303 1.273 -17.568 1.00 3.22 H new ATOM 740 N ILE A 65 0.953 4.203 -10.185 1.00 1.08 N ATOM 741 CA ILE A 65 1.373 3.456 -8.974 1.00 1.31 C ATOM 742 C ILE A 65 2.044 2.111 -9.397 1.00 1.16 C ATOM 743 O ILE A 65 2.247 1.211 -8.606 1.00 1.08 O ATOM 744 CB ILE A 65 0.140 3.198 -8.105 1.00 1.71 C ATOM 745 CG1 ILE A 65 0.425 2.306 -6.902 1.00 1.92 C ATOM 746 CG2 ILE A 65 -1.026 2.751 -8.945 1.00 1.86 C ATOM 747 CD1 ILE A 65 -0.570 2.702 -5.813 1.00 2.43 C ATOM 0 H ILE A 65 -0.042 4.141 -10.400 1.00 1.08 H new ATOM 0 HA ILE A 65 2.098 4.035 -8.403 1.00 1.31 H new ATOM 0 HB ILE A 65 -0.150 4.148 -7.656 1.00 1.71 H new ATOM 0 HG12 ILE A 65 0.312 1.254 -7.165 1.00 1.92 H new ATOM 0 HG13 ILE A 65 1.450 2.439 -6.556 1.00 1.92 H new ATOM 0 HG21 ILE A 65 -1.890 2.574 -8.304 1.00 1.86 H new ATOM 0 HG22 ILE A 65 -1.267 3.525 -9.674 1.00 1.86 H new ATOM 0 HG23 ILE A 65 -0.767 1.830 -9.467 1.00 1.86 H new ATOM 0 HD11 ILE A 65 -0.404 2.088 -4.928 1.00 2.43 H new ATOM 0 HD12 ILE A 65 -0.431 3.752 -5.557 1.00 2.43 H new ATOM 0 HD13 ILE A 65 -1.586 2.549 -6.176 1.00 2.43 H new ATOM 759 N ASP A 66 2.356 2.072 -10.671 1.00 1.21 N ATOM 760 CA ASP A 66 3.011 0.981 -11.476 1.00 1.04 C ATOM 761 C ASP A 66 4.457 1.387 -11.864 1.00 0.87 C ATOM 762 O ASP A 66 5.366 0.605 -12.027 1.00 0.80 O ATOM 763 CB ASP A 66 2.232 0.755 -12.761 1.00 1.22 C ATOM 764 CG ASP A 66 0.750 0.934 -12.578 1.00 1.79 C ATOM 765 OD1 ASP A 66 0.186 0.188 -11.804 1.00 2.39 O ATOM 766 OD2 ASP A 66 0.302 1.840 -13.254 1.00 1.98 O ATOM 0 H ASP A 66 2.149 2.875 -11.265 1.00 1.21 H new ATOM 0 HA ASP A 66 3.028 0.076 -10.869 1.00 1.04 H new ATOM 0 HB2 ASP A 66 2.587 1.449 -13.523 1.00 1.22 H new ATOM 0 HB3 ASP A 66 2.430 -0.252 -13.129 1.00 1.22 H new ATOM 771 N ARG A 67 4.619 2.671 -11.978 1.00 0.88 N ATOM 772 CA ARG A 67 5.939 3.285 -12.368 1.00 0.82 C ATOM 773 C ARG A 67 6.759 3.831 -11.188 1.00 0.74 C ATOM 774 O ARG A 67 6.216 4.309 -10.219 1.00 0.88 O ATOM 775 CB ARG A 67 5.587 4.396 -13.375 1.00 0.92 C ATOM 776 CG ARG A 67 6.817 4.901 -14.166 1.00 1.06 C ATOM 777 CD ARG A 67 6.387 6.096 -15.017 1.00 1.40 C ATOM 778 NE ARG A 67 6.114 7.186 -14.029 1.00 1.91 N ATOM 779 CZ ARG A 67 5.289 8.123 -14.263 1.00 2.23 C ATOM 780 NH1 ARG A 67 4.099 7.800 -14.477 1.00 1.71 N ATOM 781 NH2 ARG A 67 5.682 9.314 -14.268 1.00 3.44 N ATOM 0 H ARG A 67 3.876 3.350 -11.815 1.00 0.88 H new ATOM 0 HA ARG A 67 6.590 2.521 -12.793 1.00 0.82 H new ATOM 0 HB2 ARG A 67 4.839 4.022 -14.075 1.00 0.92 H new ATOM 0 HB3 ARG A 67 5.135 5.233 -12.842 1.00 0.92 H new ATOM 0 HG2 ARG A 67 7.615 5.190 -13.482 1.00 1.06 H new ATOM 0 HG3 ARG A 67 7.212 4.107 -14.800 1.00 1.06 H new ATOM 0 HD2 ARG A 67 7.169 6.384 -15.719 1.00 1.40 H new ATOM 0 HD3 ARG A 67 5.500 5.864 -15.606 1.00 1.40 H new ATOM 0 HE ARG A 67 6.608 7.176 -13.136 1.00 1.91 H new ATOM 0 HH11 ARG A 67 3.826 6.817 -14.459 1.00 1.71 H new ATOM 0 HH12 ARG A 67 3.402 8.519 -14.669 1.00 1.71 H new ATOM 0 HH21 ARG A 67 6.662 9.528 -14.084 1.00 3.44 H new ATOM 0 HH22 ARG A 67 5.021 10.068 -14.456 1.00 3.44 H new ATOM 795 N VAL A 68 8.051 3.721 -11.342 1.00 0.55 N ATOM 796 CA VAL A 68 9.017 4.205 -10.309 1.00 0.44 C ATOM 797 C VAL A 68 10.048 4.943 -11.118 1.00 0.35 C ATOM 798 O VAL A 68 10.458 4.486 -12.159 1.00 0.51 O ATOM 799 CB VAL A 68 9.691 3.033 -9.537 1.00 0.38 C ATOM 800 CG1 VAL A 68 10.741 3.686 -8.542 1.00 0.41 C ATOM 801 CG2 VAL A 68 8.625 2.338 -8.652 1.00 0.49 C ATOM 0 H VAL A 68 8.490 3.305 -12.163 1.00 0.55 H new ATOM 0 HA VAL A 68 8.527 4.813 -9.548 1.00 0.44 H new ATOM 0 HB VAL A 68 10.145 2.325 -10.231 1.00 0.38 H new ATOM 0 HG11 VAL A 68 11.242 2.901 -7.975 1.00 0.41 H new ATOM 0 HG12 VAL A 68 11.480 4.250 -9.111 1.00 0.41 H new ATOM 0 HG13 VAL A 68 10.224 4.356 -7.855 1.00 0.41 H new ATOM 0 HG21 VAL A 68 9.086 1.515 -8.106 1.00 0.49 H new ATOM 0 HG22 VAL A 68 8.214 3.058 -7.944 1.00 0.49 H new ATOM 0 HG23 VAL A 68 7.824 1.952 -9.283 1.00 0.49 H new ATOM 811 N ARG A 69 10.430 6.074 -10.628 1.00 0.35 N ATOM 812 CA ARG A 69 11.450 6.916 -11.307 1.00 0.33 C ATOM 813 C ARG A 69 12.609 6.762 -10.326 1.00 0.24 C ATOM 814 O ARG A 69 12.398 6.606 -9.135 1.00 0.16 O ATOM 815 CB ARG A 69 10.986 8.357 -11.381 1.00 0.38 C ATOM 816 CG ARG A 69 9.490 8.453 -11.753 1.00 0.70 C ATOM 817 CD ARG A 69 9.054 9.813 -11.276 1.00 1.23 C ATOM 818 NE ARG A 69 9.210 9.759 -9.788 1.00 3.17 N ATOM 819 CZ ARG A 69 8.196 9.724 -9.011 1.00 4.73 C ATOM 820 NH1 ARG A 69 7.468 10.742 -8.893 1.00 5.31 N ATOM 821 NH2 ARG A 69 7.944 8.673 -8.379 1.00 5.87 N ATOM 0 H ARG A 69 10.070 6.468 -9.758 1.00 0.35 H new ATOM 0 HA ARG A 69 11.678 6.638 -12.336 1.00 0.33 H new ATOM 0 HB2 ARG A 69 11.155 8.844 -10.421 1.00 0.38 H new ATOM 0 HB3 ARG A 69 11.581 8.894 -12.120 1.00 0.38 H new ATOM 0 HG2 ARG A 69 9.343 8.346 -12.828 1.00 0.70 H new ATOM 0 HG3 ARG A 69 8.913 7.663 -11.273 1.00 0.70 H new ATOM 0 HD2 ARG A 69 9.668 10.601 -11.711 1.00 1.23 H new ATOM 0 HD3 ARG A 69 8.022 10.020 -11.559 1.00 1.23 H new ATOM 0 HE ARG A 69 10.147 9.750 -9.385 1.00 3.17 H new ATOM 0 HH11 ARG A 69 7.688 11.590 -9.416 1.00 5.31 H new ATOM 0 HH12 ARG A 69 6.657 10.720 -8.274 1.00 5.31 H new ATOM 0 HH21 ARG A 69 8.545 7.856 -8.487 1.00 5.87 H new ATOM 0 HH22 ARG A 69 7.137 8.634 -7.756 1.00 5.87 H new ATOM 835 N LEU A 70 13.794 6.849 -10.824 1.00 0.40 N ATOM 836 CA LEU A 70 14.970 6.684 -9.902 1.00 0.32 C ATOM 837 C LEU A 70 15.859 7.917 -9.942 1.00 0.41 C ATOM 838 O LEU A 70 16.264 8.339 -11.005 1.00 0.54 O ATOM 839 CB LEU A 70 15.744 5.441 -10.355 1.00 0.27 C ATOM 840 CG LEU A 70 15.590 4.343 -9.282 1.00 0.14 C ATOM 841 CD1 LEU A 70 16.066 3.031 -9.870 1.00 0.37 C ATOM 842 CD2 LEU A 70 16.467 4.634 -8.086 1.00 0.20 C ATOM 0 H LEU A 70 14.016 7.023 -11.804 1.00 0.40 H new ATOM 0 HA LEU A 70 14.632 6.563 -8.873 1.00 0.32 H new ATOM 0 HB2 LEU A 70 15.364 5.088 -11.314 1.00 0.27 H new ATOM 0 HB3 LEU A 70 16.797 5.683 -10.499 1.00 0.27 H new ATOM 0 HG LEU A 70 14.545 4.303 -8.975 1.00 0.14 H new ATOM 0 HD11 LEU A 70 15.965 2.241 -9.126 1.00 0.37 H new ATOM 0 HD12 LEU A 70 15.464 2.785 -10.745 1.00 0.37 H new ATOM 0 HD13 LEU A 70 17.112 3.122 -10.163 1.00 0.37 H new ATOM 0 HD21 LEU A 70 16.342 3.847 -7.343 1.00 0.20 H new ATOM 0 HD22 LEU A 70 17.510 4.673 -8.401 1.00 0.20 H new ATOM 0 HD23 LEU A 70 16.183 5.592 -7.651 1.00 0.20 H new ATOM 854 N ALA A 71 16.162 8.448 -8.790 1.00 0.39 N ATOM 855 CA ALA A 71 17.017 9.662 -8.711 1.00 0.53 C ATOM 856 C ALA A 71 18.477 9.259 -8.358 1.00 0.49 C ATOM 857 O ALA A 71 18.871 9.159 -7.206 1.00 0.50 O ATOM 858 CB ALA A 71 16.400 10.571 -7.641 1.00 0.63 C ATOM 0 H ALA A 71 15.849 8.086 -7.889 1.00 0.39 H new ATOM 0 HA ALA A 71 17.059 10.190 -9.664 1.00 0.53 H new ATOM 0 HB1 ALA A 71 16.996 11.479 -7.547 1.00 0.63 H new ATOM 0 HB2 ALA A 71 15.382 10.833 -7.929 1.00 0.63 H new ATOM 0 HB3 ALA A 71 16.383 10.048 -6.685 1.00 0.63 H new ATOM 864 N VAL A 72 19.243 9.056 -9.387 1.00 0.47 N ATOM 865 CA VAL A 72 20.683 8.649 -9.238 1.00 0.42 C ATOM 866 C VAL A 72 21.579 9.805 -9.658 1.00 0.44 C ATOM 867 O VAL A 72 21.126 10.740 -10.288 1.00 0.45 O ATOM 868 CB VAL A 72 21.023 7.472 -10.158 1.00 0.32 C ATOM 869 CG1 VAL A 72 20.216 6.267 -9.824 1.00 0.14 C ATOM 870 CG2 VAL A 72 20.662 7.837 -11.576 1.00 0.41 C ATOM 0 H VAL A 72 18.933 9.155 -10.354 1.00 0.47 H new ATOM 0 HA VAL A 72 20.840 8.369 -8.196 1.00 0.42 H new ATOM 0 HB VAL A 72 22.085 7.260 -10.036 1.00 0.32 H new ATOM 0 HG11 VAL A 72 20.484 5.452 -10.497 1.00 0.14 H new ATOM 0 HG12 VAL A 72 20.416 5.969 -8.795 1.00 0.14 H new ATOM 0 HG13 VAL A 72 19.156 6.496 -9.936 1.00 0.14 H new ATOM 0 HG21 VAL A 72 20.901 7.005 -12.238 1.00 0.41 H new ATOM 0 HG22 VAL A 72 19.595 8.054 -11.636 1.00 0.41 H new ATOM 0 HG23 VAL A 72 21.229 8.717 -11.881 1.00 0.41 H new ATOM 880 N ASP A 73 22.828 9.726 -9.324 1.00 0.43 N ATOM 881 CA ASP A 73 23.744 10.832 -9.724 1.00 0.43 C ATOM 882 C ASP A 73 24.412 10.426 -11.072 1.00 0.28 C ATOM 883 O ASP A 73 23.813 9.863 -11.970 1.00 0.26 O ATOM 884 CB ASP A 73 24.791 11.002 -8.588 1.00 0.50 C ATOM 885 CG ASP A 73 25.782 9.845 -8.648 1.00 0.49 C ATOM 886 OD1 ASP A 73 25.336 8.735 -8.873 1.00 1.02 O ATOM 887 OD2 ASP A 73 26.943 10.181 -8.489 1.00 1.32 O ATOM 0 H ASP A 73 23.255 8.961 -8.801 1.00 0.43 H new ATOM 0 HA ASP A 73 23.226 11.780 -9.866 1.00 0.43 H new ATOM 0 HB2 ASP A 73 25.314 11.952 -8.698 1.00 0.50 H new ATOM 0 HB3 ASP A 73 24.294 11.022 -7.618 1.00 0.50 H new ATOM 892 N LYS A 74 25.665 10.781 -11.146 1.00 0.33 N ATOM 893 CA LYS A 74 26.547 10.525 -12.288 1.00 0.26 C ATOM 894 C LYS A 74 27.196 9.128 -12.227 1.00 0.14 C ATOM 895 O LYS A 74 27.687 8.634 -13.218 1.00 0.15 O ATOM 896 CB LYS A 74 27.653 11.606 -12.303 1.00 0.42 C ATOM 897 CG LYS A 74 27.104 13.056 -12.257 1.00 0.35 C ATOM 898 CD LYS A 74 26.673 13.482 -10.806 1.00 1.27 C ATOM 899 CE LYS A 74 26.492 15.000 -10.717 1.00 1.54 C ATOM 900 NZ LYS A 74 27.841 15.629 -10.916 1.00 2.79 N ATOM 0 H LYS A 74 26.134 11.278 -10.389 1.00 0.33 H new ATOM 0 HA LYS A 74 25.947 10.562 -13.197 1.00 0.26 H new ATOM 0 HB2 LYS A 74 28.314 11.449 -11.451 1.00 0.42 H new ATOM 0 HB3 LYS A 74 28.257 11.483 -13.202 1.00 0.42 H new ATOM 0 HG2 LYS A 74 27.866 13.743 -12.624 1.00 0.35 H new ATOM 0 HG3 LYS A 74 26.249 13.140 -12.928 1.00 0.35 H new ATOM 0 HD2 LYS A 74 25.742 12.984 -10.537 1.00 1.27 H new ATOM 0 HD3 LYS A 74 27.426 13.158 -10.088 1.00 1.27 H new ATOM 0 HE2 LYS A 74 25.791 15.348 -11.476 1.00 1.54 H new ATOM 0 HE3 LYS A 74 26.078 15.280 -9.749 1.00 1.54 H new ATOM 0 HZ1 LYS A 74 28.047 16.267 -10.121 1.00 2.79 H new ATOM 0 HZ2 LYS A 74 28.567 14.886 -10.961 1.00 2.79 H new ATOM 0 HZ3 LYS A 74 27.844 16.171 -11.804 1.00 2.79 H new ATOM 914 N LEU A 75 27.175 8.539 -11.070 1.00 0.26 N ATOM 915 CA LEU A 75 27.777 7.199 -10.824 1.00 0.34 C ATOM 916 C LEU A 75 26.685 6.208 -10.440 1.00 0.27 C ATOM 917 O LEU A 75 26.763 5.511 -9.444 1.00 0.25 O ATOM 918 CB LEU A 75 28.783 7.410 -9.712 1.00 0.55 C ATOM 919 CG LEU A 75 29.700 8.613 -9.962 1.00 0.59 C ATOM 920 CD1 LEU A 75 30.359 8.907 -8.623 1.00 0.70 C ATOM 921 CD2 LEU A 75 30.741 8.259 -11.025 1.00 0.63 C ATOM 0 H LEU A 75 26.744 8.951 -10.243 1.00 0.26 H new ATOM 0 HA LEU A 75 28.266 6.782 -11.704 1.00 0.34 H new ATOM 0 HB2 LEU A 75 28.253 7.552 -8.770 1.00 0.55 H new ATOM 0 HB3 LEU A 75 29.391 6.512 -9.603 1.00 0.55 H new ATOM 0 HG LEU A 75 29.155 9.482 -10.330 1.00 0.59 H new ATOM 0 HD11 LEU A 75 31.031 9.759 -8.727 1.00 0.70 H new ATOM 0 HD12 LEU A 75 29.593 9.138 -7.883 1.00 0.70 H new ATOM 0 HD13 LEU A 75 30.926 8.035 -8.298 1.00 0.70 H new ATOM 0 HD21 LEU A 75 31.390 9.117 -11.199 1.00 0.63 H new ATOM 0 HD22 LEU A 75 31.339 7.415 -10.681 1.00 0.63 H new ATOM 0 HD23 LEU A 75 30.237 7.992 -11.954 1.00 0.63 H new ATOM 933 N ASP A 76 25.699 6.256 -11.279 1.00 0.21 N ATOM 934 CA ASP A 76 24.484 5.397 -11.172 1.00 0.14 C ATOM 935 C ASP A 76 24.113 4.876 -9.751 1.00 0.18 C ATOM 936 O ASP A 76 23.697 3.746 -9.571 1.00 0.20 O ATOM 937 CB ASP A 76 24.658 4.194 -12.217 1.00 0.19 C ATOM 938 CG ASP A 76 26.080 3.711 -12.558 1.00 0.38 C ATOM 939 OD1 ASP A 76 26.914 3.683 -11.668 1.00 0.31 O ATOM 940 OD2 ASP A 76 26.222 3.380 -13.723 1.00 1.14 O ATOM 0 H ASP A 76 25.681 6.888 -12.079 1.00 0.21 H new ATOM 0 HA ASP A 76 23.630 6.032 -11.407 1.00 0.14 H new ATOM 0 HB2 ASP A 76 24.102 3.339 -11.833 1.00 0.19 H new ATOM 0 HB3 ASP A 76 24.178 4.493 -13.149 1.00 0.19 H new ATOM 945 N ASN A 77 24.280 5.744 -8.772 1.00 0.23 N ATOM 946 CA ASN A 77 23.949 5.396 -7.358 1.00 0.26 C ATOM 947 C ASN A 77 22.827 6.380 -6.988 1.00 0.26 C ATOM 948 O ASN A 77 22.784 7.515 -7.444 1.00 0.41 O ATOM 949 CB ASN A 77 25.219 5.552 -6.428 1.00 0.54 C ATOM 950 CG ASN A 77 25.895 6.921 -6.360 1.00 0.30 C ATOM 951 OD1 ASN A 77 26.755 7.233 -7.260 1.00 1.00 O flip ATOM 952 ND2 ASN A 77 25.660 7.720 -5.486 1.00 0.29 N flip ATOM 0 H ASN A 77 24.637 6.690 -8.902 1.00 0.23 H new ATOM 0 HA ASN A 77 23.635 4.360 -7.232 1.00 0.26 H new ATOM 0 HB2 ASN A 77 24.928 5.273 -5.415 1.00 0.54 H new ATOM 0 HB3 ASN A 77 25.964 4.828 -6.756 1.00 0.54 H new ATOM 0 HD21 ASN A 77 24.980 7.496 -4.759 1.00 0.29 H new ATOM 0 HD22 ASN A 77 26.141 8.619 -5.474 1.00 0.29 H new ATOM 959 N ILE A 78 21.974 5.848 -6.158 1.00 0.25 N ATOM 960 CA ILE A 78 20.785 6.596 -5.667 1.00 0.35 C ATOM 961 C ILE A 78 21.215 7.773 -4.860 1.00 0.51 C ATOM 962 O ILE A 78 21.632 7.662 -3.728 1.00 0.59 O ATOM 963 CB ILE A 78 19.890 5.654 -4.813 1.00 0.36 C ATOM 964 CG1 ILE A 78 19.559 4.337 -5.554 1.00 0.25 C ATOM 965 CG2 ILE A 78 18.523 6.380 -4.479 1.00 0.45 C ATOM 966 CD1 ILE A 78 19.446 4.607 -7.043 1.00 0.20 C ATOM 0 H ILE A 78 22.055 4.900 -5.790 1.00 0.25 H new ATOM 0 HA ILE A 78 20.210 6.954 -6.521 1.00 0.35 H new ATOM 0 HB ILE A 78 20.447 5.418 -3.906 1.00 0.36 H new ATOM 0 HG12 ILE A 78 20.337 3.597 -5.366 1.00 0.25 H new ATOM 0 HG13 ILE A 78 18.625 3.921 -5.177 1.00 0.25 H new ATOM 0 HG21 ILE A 78 17.897 5.719 -3.880 1.00 0.45 H new ATOM 0 HG22 ILE A 78 18.724 7.294 -3.920 1.00 0.45 H new ATOM 0 HG23 ILE A 78 18.007 6.628 -5.406 1.00 0.45 H new ATOM 0 HD11 ILE A 78 19.213 3.679 -7.564 1.00 0.20 H new ATOM 0 HD12 ILE A 78 18.653 5.333 -7.222 1.00 0.20 H new ATOM 0 HD13 ILE A 78 20.391 5.004 -7.414 1.00 0.20 H new ATOM 978 N ALA A 79 21.067 8.875 -5.514 1.00 0.58 N ATOM 979 CA ALA A 79 21.431 10.172 -4.912 1.00 0.77 C ATOM 980 C ALA A 79 20.266 10.628 -4.010 1.00 0.79 C ATOM 981 O ALA A 79 20.455 11.205 -2.959 1.00 0.86 O ATOM 982 CB ALA A 79 21.707 11.061 -6.127 1.00 0.90 C ATOM 0 H ALA A 79 20.700 8.934 -6.464 1.00 0.58 H new ATOM 0 HA ALA A 79 22.303 10.175 -4.258 1.00 0.77 H new ATOM 0 HB1 ALA A 79 21.989 12.059 -5.791 1.00 0.90 H new ATOM 0 HB2 ALA A 79 22.519 10.633 -6.714 1.00 0.90 H new ATOM 0 HB3 ALA A 79 20.809 11.125 -6.742 1.00 0.90 H new ATOM 988 N GLN A 80 19.077 10.351 -4.460 1.00 0.74 N ATOM 989 CA GLN A 80 17.848 10.735 -3.688 1.00 0.74 C ATOM 990 C GLN A 80 16.822 9.635 -3.478 1.00 0.76 C ATOM 991 O GLN A 80 16.852 8.589 -4.084 1.00 0.77 O ATOM 992 CB GLN A 80 17.125 11.927 -4.390 1.00 0.68 C ATOM 993 CG GLN A 80 16.875 13.149 -3.408 1.00 0.58 C ATOM 994 CD GLN A 80 18.093 13.998 -3.031 1.00 2.19 C ATOM 995 OE1 GLN A 80 17.976 15.083 -2.493 1.00 2.40 O ATOM 996 NE2 GLN A 80 19.278 13.570 -3.288 1.00 3.59 N ATOM 0 H GLN A 80 18.894 9.869 -5.340 1.00 0.74 H new ATOM 0 HA GLN A 80 18.231 10.994 -2.701 1.00 0.74 H new ATOM 0 HB2 GLN A 80 17.723 12.262 -5.237 1.00 0.68 H new ATOM 0 HB3 GLN A 80 16.170 11.585 -4.789 1.00 0.68 H new ATOM 0 HG2 GLN A 80 16.133 13.804 -3.865 1.00 0.58 H new ATOM 0 HG3 GLN A 80 16.435 12.761 -2.489 1.00 0.58 H new ATOM 0 HE21 GLN A 80 19.406 12.664 -3.738 1.00 3.59 H new ATOM 0 HE22 GLN A 80 20.090 14.137 -3.041 1.00 3.59 H new ATOM 1005 N VAL A 81 15.926 9.954 -2.590 1.00 0.78 N ATOM 1006 CA VAL A 81 14.807 9.049 -2.223 1.00 0.80 C ATOM 1007 C VAL A 81 14.030 8.887 -3.540 1.00 0.82 C ATOM 1008 O VAL A 81 13.412 9.832 -3.998 1.00 0.91 O ATOM 1009 CB VAL A 81 13.942 9.744 -1.159 1.00 0.86 C ATOM 1010 CG1 VAL A 81 12.820 8.790 -0.692 1.00 0.89 C ATOM 1011 CG2 VAL A 81 14.856 10.176 0.017 1.00 0.88 C ATOM 0 H VAL A 81 15.925 10.840 -2.085 1.00 0.78 H new ATOM 0 HA VAL A 81 15.122 8.091 -1.811 1.00 0.80 H new ATOM 0 HB VAL A 81 13.464 10.632 -1.573 1.00 0.86 H new ATOM 0 HG11 VAL A 81 12.210 9.287 0.062 1.00 0.89 H new ATOM 0 HG12 VAL A 81 12.195 8.519 -1.543 1.00 0.89 H new ATOM 0 HG13 VAL A 81 13.262 7.890 -0.265 1.00 0.89 H new ATOM 0 HG21 VAL A 81 14.256 10.671 0.781 1.00 0.88 H new ATOM 0 HG22 VAL A 81 15.337 9.297 0.446 1.00 0.88 H new ATOM 0 HG23 VAL A 81 15.618 10.864 -0.348 1.00 0.88 H new ATOM 1021 N PRO A 82 14.057 7.739 -4.167 1.00 0.73 N ATOM 1022 CA PRO A 82 13.270 7.550 -5.407 1.00 0.76 C ATOM 1023 C PRO A 82 11.793 7.303 -4.940 1.00 0.83 C ATOM 1024 O PRO A 82 11.548 7.038 -3.773 1.00 1.02 O ATOM 1025 CB PRO A 82 14.092 6.404 -6.043 1.00 0.64 C ATOM 1026 CG PRO A 82 14.337 5.513 -4.847 1.00 0.61 C ATOM 1027 CD PRO A 82 14.817 6.509 -3.793 1.00 0.63 C ATOM 0 HA PRO A 82 13.146 8.339 -6.149 1.00 0.76 H new ATOM 0 HB2 PRO A 82 13.540 5.891 -6.831 1.00 0.64 H new ATOM 0 HB3 PRO A 82 15.021 6.762 -6.486 1.00 0.64 H new ATOM 0 HG2 PRO A 82 13.431 4.994 -4.534 1.00 0.61 H new ATOM 0 HG3 PRO A 82 15.086 4.749 -5.056 1.00 0.61 H new ATOM 0 HD2 PRO A 82 14.585 6.177 -2.781 1.00 0.63 H new ATOM 0 HD3 PRO A 82 15.895 6.665 -3.838 1.00 0.63 H new ATOM 1035 N ARG A 83 10.868 7.406 -5.857 1.00 0.70 N ATOM 1036 CA ARG A 83 9.402 7.218 -5.574 1.00 0.72 C ATOM 1037 C ARG A 83 8.729 6.476 -6.713 1.00 0.71 C ATOM 1038 O ARG A 83 9.334 6.404 -7.760 1.00 0.80 O ATOM 1039 CB ARG A 83 8.713 8.593 -5.445 1.00 0.62 C ATOM 1040 CG ARG A 83 9.316 9.458 -4.349 1.00 0.94 C ATOM 1041 CD ARG A 83 8.472 10.776 -4.283 1.00 0.98 C ATOM 1042 NE ARG A 83 8.249 11.179 -2.847 1.00 1.25 N ATOM 1043 CZ ARG A 83 7.403 12.085 -2.518 1.00 1.83 C ATOM 1044 NH1 ARG A 83 7.517 13.241 -3.031 1.00 2.66 N ATOM 1045 NH2 ARG A 83 6.483 11.798 -1.696 1.00 1.95 N ATOM 0 H ARG A 83 11.072 7.622 -6.833 1.00 0.70 H new ATOM 0 HA ARG A 83 9.311 6.649 -4.649 1.00 0.72 H new ATOM 0 HB2 ARG A 83 8.784 9.120 -6.397 1.00 0.62 H new ATOM 0 HB3 ARG A 83 7.653 8.444 -5.241 1.00 0.62 H new ATOM 0 HG2 ARG A 83 9.293 8.938 -3.391 1.00 0.94 H new ATOM 0 HG3 ARG A 83 10.361 9.681 -4.565 1.00 0.94 H new ATOM 0 HD2 ARG A 83 8.988 11.574 -4.817 1.00 0.98 H new ATOM 0 HD3 ARG A 83 7.513 10.628 -4.780 1.00 0.98 H new ATOM 0 HE ARG A 83 8.788 10.717 -2.115 1.00 1.25 H new ATOM 0 HH11 ARG A 83 8.271 13.434 -3.691 1.00 2.66 H new ATOM 0 HH12 ARG A 83 6.855 13.976 -2.783 1.00 2.66 H new ATOM 0 HH21 ARG A 83 6.423 10.857 -1.306 1.00 1.95 H new ATOM 0 HH22 ARG A 83 5.802 12.507 -1.424 1.00 1.95 H new ATOM 1059 N VAL A 84 7.538 5.977 -6.515 1.00 0.65 N ATOM 1060 CA VAL A 84 6.819 5.255 -7.607 1.00 0.66 C ATOM 1061 C VAL A 84 6.608 6.334 -8.663 1.00 0.99 C ATOM 1062 O VAL A 84 7.370 6.567 -9.586 1.00 1.36 O ATOM 1063 CB VAL A 84 5.501 4.732 -6.991 1.00 0.69 C ATOM 1064 CG1 VAL A 84 4.558 4.211 -8.032 1.00 0.77 C ATOM 1065 CG2 VAL A 84 5.783 3.540 -6.189 1.00 0.59 C ATOM 0 H VAL A 84 7.027 6.039 -5.635 1.00 0.65 H new ATOM 0 HA VAL A 84 7.331 4.398 -8.046 1.00 0.66 H new ATOM 0 HB VAL A 84 5.078 5.570 -6.436 1.00 0.69 H new ATOM 0 HG11 VAL A 84 3.647 3.855 -7.552 1.00 0.77 H new ATOM 0 HG12 VAL A 84 4.311 5.010 -8.732 1.00 0.77 H new ATOM 0 HG13 VAL A 84 5.029 3.389 -8.571 1.00 0.77 H new ATOM 0 HG21 VAL A 84 4.856 3.168 -5.752 1.00 0.59 H new ATOM 0 HG22 VAL A 84 6.220 2.769 -6.824 1.00 0.59 H new ATOM 0 HG23 VAL A 84 6.483 3.794 -5.393 1.00 0.59 H new ATOM 1075 N GLY A 85 5.534 7.000 -8.443 1.00 1.03 N ATOM 1076 CA GLY A 85 5.089 8.112 -9.306 1.00 1.30 C ATOM 1077 C GLY A 85 5.141 9.349 -8.412 1.00 2.05 C ATOM 1078 O GLY A 85 4.867 10.396 -8.945 1.00 2.07 O ATOM 1079 OXT GLY A 85 5.469 9.223 -7.244 1.00 3.03 O ATOM 0 H GLY A 85 4.909 6.812 -7.659 1.00 1.03 H new ATOM 0 HA2 GLY A 85 5.740 8.224 -10.173 1.00 1.30 H new ATOM 0 HA3 GLY A 85 4.081 7.940 -9.684 1.00 1.30 H new TER 1083 GLY A 85