USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 484 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 Single : A 18 CYS SG : rot 140:sc= -0.728 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.56) USER MOD Single : A 25 MET CE :methyl -167:sc= -0.0228 (180deg=-0.275) USER MOD Single : A 27 SER OG : rot 130:sc= 0.0567 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.0331 X(o=0.033,f=0) USER MOD Single : A 50 THR OG1 : rot -53:sc= -1.26! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.789 USER MOD Single : A 59 CYS SG : rot 22:sc= 0.812 USER MOD Single : A 64 MET CE :methyl 180:sc= -0.0039 (180deg=-0.0039) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= -0.0256 (180deg=-0.188) USER MOD Single : A 69 LYS NZ :NH3+ -109:sc= -0.789 (180deg=-2.83!) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.025) USER MOD Single : A 73 SER OG : rot 100:sc= 0.845 USER MOD Single : A 83 ASN : amide:sc= -0.0318 X(o=-0.032,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 29 N ILE A 17 -9.568 7.056 2.895 1.00 0.70 N ATOM 30 CA ILE A 17 -10.396 6.476 1.846 1.00 0.64 C ATOM 31 C ILE A 17 -10.840 5.069 2.238 1.00 0.57 C ATOM 32 O ILE A 17 -11.989 4.687 2.032 1.00 0.57 O ATOM 33 CB ILE A 17 -9.666 6.433 0.479 1.00 0.65 C ATOM 34 CG1 ILE A 17 -9.434 7.844 -0.068 1.00 0.74 C ATOM 35 CG2 ILE A 17 -10.467 5.623 -0.530 1.00 0.65 C ATOM 36 CD1 ILE A 17 -8.436 8.664 0.714 1.00 0.80 C ATOM 0 HA ILE A 17 -11.269 7.119 1.735 1.00 0.64 H new ATOM 0 HB ILE A 17 -8.699 5.956 0.637 1.00 0.65 H new ATOM 0 HG12 ILE A 17 -9.093 7.768 -1.100 1.00 0.74 H new ATOM 0 HG13 ILE A 17 -10.386 8.374 -0.085 1.00 0.74 H new ATOM 0 HG21 ILE A 17 -9.939 5.604 -1.483 1.00 0.65 H new ATOM 0 HG22 ILE A 17 -10.590 4.604 -0.163 1.00 0.65 H new ATOM 0 HG23 ILE A 17 -11.447 6.080 -0.667 1.00 0.65 H new ATOM 0 HD11 ILE A 17 -8.335 9.648 0.256 1.00 0.80 H new ATOM 0 HD12 ILE A 17 -8.783 8.776 1.741 1.00 0.80 H new ATOM 0 HD13 ILE A 17 -7.469 8.161 0.710 1.00 0.80 H new ATOM 48 N CYS A 18 -9.927 4.324 2.850 1.00 0.55 N ATOM 49 CA CYS A 18 -10.194 2.957 3.275 1.00 0.51 C ATOM 50 C CYS A 18 -11.198 2.954 4.416 1.00 0.53 C ATOM 51 O CYS A 18 -12.153 2.176 4.441 1.00 0.51 O ATOM 52 CB CYS A 18 -8.882 2.311 3.733 1.00 0.52 C ATOM 53 SG CYS A 18 -7.628 2.177 2.437 1.00 1.35 S ATOM 0 H CYS A 18 -8.985 4.650 3.065 1.00 0.55 H new ATOM 0 HA CYS A 18 -10.611 2.391 2.442 1.00 0.51 H new ATOM 0 HB2 CYS A 18 -8.473 2.892 4.559 1.00 0.52 H new ATOM 0 HB3 CYS A 18 -9.096 1.315 4.120 1.00 0.52 H new ATOM 0 HG CYS A 18 -6.459 2.454 2.934 1.00 1.35 H new ATOM 59 N LEU A 19 -10.961 3.857 5.348 1.00 0.58 N ATOM 60 CA LEU A 19 -11.784 4.013 6.530 1.00 0.63 C ATOM 61 C LEU A 19 -13.207 4.406 6.142 1.00 0.63 C ATOM 62 O LEU A 19 -14.181 3.841 6.643 1.00 0.63 O ATOM 63 CB LEU A 19 -11.141 5.078 7.403 1.00 0.72 C ATOM 64 CG LEU A 19 -11.441 5.013 8.900 1.00 0.83 C ATOM 65 CD1 LEU A 19 -10.563 6.006 9.639 1.00 1.14 C ATOM 66 CD2 LEU A 19 -12.907 5.284 9.178 1.00 1.16 C ATOM 0 H LEU A 19 -10.180 4.512 5.304 1.00 0.58 H new ATOM 0 HA LEU A 19 -11.849 3.073 7.078 1.00 0.63 H new ATOM 0 HB2 LEU A 19 -10.061 5.020 7.270 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -11.456 6.055 7.035 1.00 0.72 H new ATOM 0 HG LEU A 19 -11.221 4.007 9.256 1.00 0.83 H new ATOM 0 HD11 LEU A 19 -10.778 5.958 10.706 1.00 1.14 H new ATOM 0 HD12 LEU A 19 -9.514 5.761 9.469 1.00 1.14 H new ATOM 0 HD13 LEU A 19 -10.765 7.013 9.273 1.00 1.14 H new ATOM 0 HD21 LEU A 19 -13.090 5.231 10.251 1.00 1.16 H new ATOM 0 HD22 LEU A 19 -13.169 6.278 8.814 1.00 1.16 H new ATOM 0 HD23 LEU A 19 -13.518 4.539 8.669 1.00 1.16 H new ATOM 78 N ARG A 20 -13.308 5.364 5.232 1.00 0.64 N ATOM 79 CA ARG A 20 -14.596 5.881 4.776 1.00 0.65 C ATOM 80 C ARG A 20 -15.445 4.791 4.142 1.00 0.58 C ATOM 81 O ARG A 20 -16.663 4.741 4.329 1.00 0.60 O ATOM 82 CB ARG A 20 -14.361 6.995 3.758 1.00 0.69 C ATOM 83 CG ARG A 20 -15.625 7.467 3.061 1.00 0.82 C ATOM 84 CD ARG A 20 -15.338 8.582 2.071 1.00 1.37 C ATOM 85 NE ARG A 20 -14.231 8.257 1.168 1.00 2.06 N ATOM 86 CZ ARG A 20 -14.364 7.611 0.008 1.00 2.90 C ATOM 87 NH1 ARG A 20 -15.549 7.150 -0.376 1.00 3.23 N ATOM 88 NH2 ARG A 20 -13.302 7.423 -0.766 1.00 3.84 N ATOM 0 H ARG A 20 -12.503 5.806 4.788 1.00 0.64 H new ATOM 0 HA ARG A 20 -15.132 6.265 5.644 1.00 0.65 H new ATOM 0 HB2 ARG A 20 -13.897 7.843 4.262 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -13.653 6.644 3.007 1.00 0.69 H new ATOM 0 HG2 ARG A 20 -16.088 6.629 2.541 1.00 0.82 H new ATOM 0 HG3 ARG A 20 -16.342 7.816 3.804 1.00 0.82 H new ATOM 0 HD2 ARG A 20 -16.235 8.783 1.484 1.00 1.37 H new ATOM 0 HD3 ARG A 20 -15.102 9.496 2.616 1.00 1.37 H new ATOM 0 HE ARG A 20 -13.293 8.545 1.446 1.00 2.06 H new ATOM 0 HH11 ARG A 20 -16.367 7.289 0.217 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -15.641 6.657 -1.264 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -12.389 7.772 -0.473 1.00 3.84 H new ATOM 0 HH22 ARG A 20 -13.399 6.930 -1.654 1.00 3.84 H new ATOM 102 N LYS A 21 -14.788 3.913 3.406 1.00 0.51 N ATOM 103 CA LYS A 21 -15.460 2.853 2.662 1.00 0.46 C ATOM 104 C LYS A 21 -15.986 1.752 3.580 1.00 0.45 C ATOM 105 O LYS A 21 -16.589 0.778 3.125 1.00 0.44 O ATOM 106 CB LYS A 21 -14.490 2.264 1.645 1.00 0.41 C ATOM 107 CG LYS A 21 -14.235 3.182 0.469 1.00 0.52 C ATOM 108 CD LYS A 21 -15.501 3.406 -0.330 1.00 0.72 C ATOM 109 CE LYS A 21 -15.767 2.264 -1.296 1.00 0.72 C ATOM 110 NZ LYS A 21 -17.041 2.449 -2.038 1.00 1.10 N ATOM 0 H LYS A 21 -13.773 3.911 3.305 1.00 0.51 H new ATOM 0 HA LYS A 21 -16.321 3.289 2.155 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -13.544 2.044 2.139 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -14.886 1.317 1.280 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -13.852 4.138 0.826 1.00 0.52 H new ATOM 0 HG3 LYS A 21 -13.467 2.751 -0.173 1.00 0.52 H new ATOM 0 HD2 LYS A 21 -16.346 3.511 0.350 1.00 0.72 H new ATOM 0 HD3 LYS A 21 -15.420 4.341 -0.885 1.00 0.72 H new ATOM 0 HE2 LYS A 21 -14.942 2.189 -2.005 1.00 0.72 H new ATOM 0 HE3 LYS A 21 -15.801 1.324 -0.746 1.00 0.72 H new ATOM 0 HZ1 LYS A 21 -17.185 1.648 -2.686 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -17.832 2.495 -1.364 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -16.999 3.333 -2.584 1.00 1.10 H new ATOM 124 N ASN A 22 -15.758 1.940 4.875 1.00 0.48 N ATOM 125 CA ASN A 22 -16.164 0.988 5.907 1.00 0.50 C ATOM 126 C ASN A 22 -15.442 -0.338 5.706 1.00 0.42 C ATOM 127 O ASN A 22 -16.045 -1.406 5.641 1.00 0.49 O ATOM 128 CB ASN A 22 -17.690 0.800 5.921 1.00 0.59 C ATOM 129 CG ASN A 22 -18.181 -0.019 7.107 1.00 1.08 C ATOM 130 OD1 ASN A 22 -18.347 -1.235 7.015 1.00 1.55 O ATOM 131 ND2 ASN A 22 -18.416 0.644 8.230 1.00 1.92 N ATOM 0 H ASN A 22 -15.282 2.764 5.243 1.00 0.48 H new ATOM 0 HA ASN A 22 -15.881 1.389 6.880 1.00 0.50 H new ATOM 0 HB2 ASN A 22 -18.170 1.778 5.939 1.00 0.59 H new ATOM 0 HB3 ASN A 22 -17.998 0.311 4.997 1.00 0.59 H new ATOM 0 HD21 ASN A 22 -18.746 0.146 9.057 1.00 1.92 H new ATOM 0 HD22 ASN A 22 -18.267 1.652 8.268 1.00 1.92 H new ATOM 138 N TRP A 23 -14.134 -0.250 5.576 1.00 0.35 N ATOM 139 CA TRP A 23 -13.291 -1.425 5.475 1.00 0.29 C ATOM 140 C TRP A 23 -12.412 -1.517 6.709 1.00 0.34 C ATOM 141 O TRP A 23 -12.321 -0.559 7.482 1.00 0.40 O ATOM 142 CB TRP A 23 -12.397 -1.342 4.237 1.00 0.26 C ATOM 143 CG TRP A 23 -13.118 -1.353 2.922 1.00 0.24 C ATOM 144 CD1 TRP A 23 -14.323 -1.926 2.626 1.00 0.25 C ATOM 145 CD2 TRP A 23 -12.636 -0.784 1.709 1.00 0.24 C ATOM 146 NE1 TRP A 23 -14.621 -1.728 1.292 1.00 0.25 N ATOM 147 CE2 TRP A 23 -13.594 -1.032 0.711 1.00 0.25 C ATOM 148 CE3 TRP A 23 -11.482 -0.081 1.378 1.00 0.27 C ATOM 149 CZ2 TRP A 23 -13.422 -0.600 -0.604 1.00 0.29 C ATOM 150 CZ3 TRP A 23 -11.314 0.345 0.083 1.00 0.31 C ATOM 151 CH2 TRP A 23 -12.277 0.084 -0.898 1.00 0.31 C ATOM 0 H TRP A 23 -13.626 0.634 5.537 1.00 0.35 H new ATOM 0 HA TRP A 23 -13.928 -2.306 5.395 1.00 0.29 H new ATOM 0 HB2 TRP A 23 -11.803 -0.430 4.299 1.00 0.26 H new ATOM 0 HB3 TRP A 23 -11.699 -2.179 4.257 1.00 0.26 H new ATOM 0 HD1 TRP A 23 -14.949 -2.455 3.330 1.00 0.25 H new ATOM 0 HE1 TRP A 23 -15.466 -2.047 0.818 1.00 0.25 H new ATOM 0 HE3 TRP A 23 -10.731 0.126 2.126 1.00 0.27 H new ATOM 0 HZ2 TRP A 23 -14.166 -0.799 -1.361 1.00 0.29 H new ATOM 0 HZ3 TRP A 23 -10.422 0.892 -0.183 1.00 0.31 H new ATOM 0 HH2 TRP A 23 -12.112 0.430 -1.908 1.00 0.31 H new ATOM 162 N PRO A 24 -11.775 -2.671 6.936 1.00 0.34 N ATOM 163 CA PRO A 24 -10.711 -2.782 7.921 1.00 0.40 C ATOM 164 C PRO A 24 -9.437 -2.173 7.359 1.00 0.39 C ATOM 165 O PRO A 24 -9.313 -1.991 6.144 1.00 0.41 O ATOM 166 CB PRO A 24 -10.566 -4.286 8.116 1.00 0.43 C ATOM 167 CG PRO A 24 -10.950 -4.855 6.802 1.00 0.44 C ATOM 168 CD PRO A 24 -12.035 -3.956 6.260 1.00 0.34 C ATOM 0 HA PRO A 24 -10.916 -2.263 8.857 1.00 0.40 H new ATOM 0 HB2 PRO A 24 -9.545 -4.557 8.386 1.00 0.43 H new ATOM 0 HB3 PRO A 24 -11.214 -4.650 8.914 1.00 0.43 H new ATOM 0 HG2 PRO A 24 -10.096 -4.887 6.126 1.00 0.44 H new ATOM 0 HG3 PRO A 24 -11.309 -5.878 6.910 1.00 0.44 H new ATOM 0 HD2 PRO A 24 -11.975 -3.860 5.176 1.00 0.34 H new ATOM 0 HD3 PRO A 24 -13.029 -4.339 6.491 1.00 0.34 H new ATOM 176 N MET A 25 -8.493 -1.860 8.223 1.00 0.47 N ATOM 177 CA MET A 25 -7.301 -1.150 7.807 1.00 0.47 C ATOM 178 C MET A 25 -6.367 -2.087 7.051 1.00 0.38 C ATOM 179 O MET A 25 -6.050 -3.178 7.527 1.00 0.44 O ATOM 180 CB MET A 25 -6.612 -0.551 9.025 1.00 0.61 C ATOM 181 CG MET A 25 -7.582 0.138 9.974 1.00 0.70 C ATOM 182 SD MET A 25 -8.572 1.426 9.190 1.00 0.90 S ATOM 183 CE MET A 25 -7.295 2.584 8.737 1.00 1.00 C ATOM 0 H MET A 25 -8.528 -2.086 9.217 1.00 0.47 H new ATOM 0 HA MET A 25 -7.578 -0.339 7.133 1.00 0.47 H new ATOM 0 HB2 MET A 25 -6.084 -1.339 9.562 1.00 0.61 H new ATOM 0 HB3 MET A 25 -5.862 0.168 8.695 1.00 0.61 H new ATOM 0 HG2 MET A 25 -8.249 -0.610 10.404 1.00 0.70 H new ATOM 0 HG3 MET A 25 -7.020 0.576 10.799 1.00 0.70 H new ATOM 0 HE1 MET A 25 -7.749 3.533 8.453 1.00 1.00 H new ATOM 0 HE2 MET A 25 -6.628 2.740 9.585 1.00 1.00 H new ATOM 0 HE3 MET A 25 -6.726 2.188 7.896 1.00 1.00 H new ATOM 193 N PRO A 26 -5.944 -1.662 5.846 1.00 0.32 N ATOM 194 CA PRO A 26 -5.152 -2.478 4.920 1.00 0.25 C ATOM 195 C PRO A 26 -3.914 -3.124 5.532 1.00 0.23 C ATOM 196 O PRO A 26 -3.429 -2.729 6.593 1.00 0.27 O ATOM 197 CB PRO A 26 -4.699 -1.494 3.837 1.00 0.30 C ATOM 198 CG PRO A 26 -5.167 -0.140 4.255 1.00 0.46 C ATOM 199 CD PRO A 26 -6.243 -0.340 5.280 1.00 0.44 C ATOM 0 HA PRO A 26 -5.762 -3.311 4.570 1.00 0.25 H new ATOM 0 HB2 PRO A 26 -3.614 -1.511 3.730 1.00 0.30 H new ATOM 0 HB3 PRO A 26 -5.120 -1.766 2.869 1.00 0.30 H new ATOM 0 HG2 PRO A 26 -4.343 0.441 4.670 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -5.549 0.416 3.399 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -6.218 0.437 6.044 1.00 0.44 H new ATOM 0 HD3 PRO A 26 -7.235 -0.312 4.830 1.00 0.44 H new ATOM 207 N SER A 27 -3.403 -4.109 4.815 1.00 0.20 N ATOM 208 CA SER A 27 -2.177 -4.791 5.178 1.00 0.20 C ATOM 209 C SER A 27 -0.990 -3.959 4.728 1.00 0.17 C ATOM 210 O SER A 27 -1.039 -3.333 3.670 1.00 0.17 O ATOM 211 CB SER A 27 -2.135 -6.155 4.497 1.00 0.25 C ATOM 212 OG SER A 27 -1.024 -6.926 4.918 1.00 0.30 O ATOM 0 H SER A 27 -3.832 -4.459 3.958 1.00 0.20 H new ATOM 0 HA SER A 27 -2.137 -4.926 6.259 1.00 0.20 H new ATOM 0 HB2 SER A 27 -3.055 -6.697 4.715 1.00 0.25 H new ATOM 0 HB3 SER A 27 -2.093 -6.019 3.416 1.00 0.25 H new ATOM 0 HG SER A 27 -1.327 -7.819 5.183 1.00 0.30 H new ATOM 218 N TYR A 28 0.072 -3.966 5.509 1.00 0.17 N ATOM 219 CA TYR A 28 1.249 -3.186 5.189 1.00 0.17 C ATOM 220 C TYR A 28 2.488 -4.002 5.532 1.00 0.20 C ATOM 221 O TYR A 28 2.749 -4.261 6.704 1.00 0.25 O ATOM 222 CB TYR A 28 1.271 -1.865 5.965 1.00 0.20 C ATOM 223 CG TYR A 28 0.290 -0.815 5.475 1.00 0.19 C ATOM 224 CD1 TYR A 28 -0.997 -0.738 5.989 1.00 0.20 C ATOM 225 CD2 TYR A 28 0.666 0.120 4.520 1.00 0.22 C ATOM 226 CE1 TYR A 28 -1.879 0.234 5.562 1.00 0.23 C ATOM 227 CE2 TYR A 28 -0.207 1.099 4.092 1.00 0.25 C ATOM 228 CZ TYR A 28 -1.479 1.153 4.616 1.00 0.25 C ATOM 229 OH TYR A 28 -2.354 2.129 4.194 1.00 0.30 O ATOM 0 H TYR A 28 0.143 -4.505 6.372 1.00 0.17 H new ATOM 0 HA TYR A 28 1.232 -2.949 4.125 1.00 0.17 H new ATOM 0 HB2 TYR A 28 1.062 -2.074 7.014 1.00 0.20 H new ATOM 0 HB3 TYR A 28 2.278 -1.450 5.917 1.00 0.20 H new ATOM 0 HD1 TYR A 28 -1.314 -1.451 6.736 1.00 0.20 H new ATOM 0 HD2 TYR A 28 1.662 0.080 4.104 1.00 0.22 H new ATOM 0 HE1 TYR A 28 -2.879 0.274 5.968 1.00 0.23 H new ATOM 0 HE2 TYR A 28 0.106 1.819 3.350 1.00 0.25 H new ATOM 0 HH TYR A 28 -1.915 2.696 3.526 1.00 0.30 H new ATOM 239 N ARG A 29 3.240 -4.419 4.522 1.00 0.23 N ATOM 240 CA ARG A 29 4.405 -5.263 4.730 1.00 0.33 C ATOM 241 C ARG A 29 5.425 -5.029 3.620 1.00 0.24 C ATOM 242 O ARG A 29 5.100 -5.154 2.439 1.00 0.22 O ATOM 243 CB ARG A 29 3.986 -6.732 4.744 1.00 0.50 C ATOM 244 CG ARG A 29 5.123 -7.695 5.039 1.00 1.34 C ATOM 245 CD ARG A 29 4.693 -9.134 4.823 1.00 1.55 C ATOM 246 NE ARG A 29 3.522 -9.484 5.623 1.00 2.13 N ATOM 247 CZ ARG A 29 2.712 -10.506 5.350 1.00 2.75 C ATOM 248 NH1 ARG A 29 2.952 -11.289 4.304 1.00 2.84 N ATOM 249 NH2 ARG A 29 1.663 -10.743 6.127 1.00 3.69 N ATOM 0 H ARG A 29 3.061 -4.184 3.546 1.00 0.23 H new ATOM 0 HA ARG A 29 4.858 -5.010 5.689 1.00 0.33 H new ATOM 0 HB2 ARG A 29 3.204 -6.869 5.491 1.00 0.50 H new ATOM 0 HB3 ARG A 29 3.551 -6.985 3.777 1.00 0.50 H new ATOM 0 HG2 ARG A 29 5.973 -7.466 4.396 1.00 1.34 H new ATOM 0 HG3 ARG A 29 5.457 -7.563 6.068 1.00 1.34 H new ATOM 0 HD2 ARG A 29 4.470 -9.291 3.768 1.00 1.55 H new ATOM 0 HD3 ARG A 29 5.517 -9.800 5.077 1.00 1.55 H new ATOM 0 HE ARG A 29 3.312 -8.911 6.440 1.00 2.13 H new ATOM 0 HH11 ARG A 29 3.759 -11.109 3.707 1.00 2.84 H new ATOM 0 HH12 ARG A 29 2.329 -12.070 4.098 1.00 2.84 H new ATOM 0 HH21 ARG A 29 1.478 -10.143 6.931 1.00 3.69 H new ATOM 0 HH22 ARG A 29 1.041 -11.525 5.920 1.00 3.69 H new ATOM 263 N CYS A 30 6.646 -4.676 3.996 1.00 0.31 N ATOM 264 CA CYS A 30 7.696 -4.426 3.020 1.00 0.31 C ATOM 265 C CYS A 30 8.070 -5.714 2.300 1.00 0.27 C ATOM 266 O CYS A 30 8.409 -6.718 2.931 1.00 0.30 O ATOM 267 CB CYS A 30 8.924 -3.820 3.700 1.00 0.45 C ATOM 268 SG CYS A 30 8.594 -2.255 4.544 1.00 1.53 S ATOM 0 H CYS A 30 6.933 -4.557 4.967 1.00 0.31 H new ATOM 0 HA CYS A 30 7.321 -3.714 2.284 1.00 0.31 H new ATOM 0 HB2 CYS A 30 9.318 -4.535 4.422 1.00 0.45 H new ATOM 0 HB3 CYS A 30 9.701 -3.662 2.952 1.00 0.45 H new ATOM 0 HG CYS A 30 9.689 -1.818 5.092 1.00 1.53 H new ATOM 274 N VAL A 31 7.998 -5.678 0.977 1.00 0.26 N ATOM 275 CA VAL A 31 8.263 -6.855 0.170 1.00 0.28 C ATOM 276 C VAL A 31 9.748 -7.003 -0.096 1.00 0.27 C ATOM 277 O VAL A 31 10.278 -8.113 -0.137 1.00 0.32 O ATOM 278 CB VAL A 31 7.501 -6.821 -1.169 1.00 0.34 C ATOM 279 CG1 VAL A 31 6.003 -6.804 -0.921 1.00 1.15 C ATOM 280 CG2 VAL A 31 7.910 -5.629 -2.021 1.00 1.15 C ATOM 0 H VAL A 31 7.758 -4.844 0.441 1.00 0.26 H new ATOM 0 HA VAL A 31 7.910 -7.714 0.740 1.00 0.28 H new ATOM 0 HB VAL A 31 7.762 -7.724 -1.721 1.00 0.34 H new ATOM 0 HG11 VAL A 31 5.476 -6.780 -1.875 1.00 1.15 H new ATOM 0 HG12 VAL A 31 5.715 -7.699 -0.370 1.00 1.15 H new ATOM 0 HG13 VAL A 31 5.740 -5.920 -0.339 1.00 1.15 H new ATOM 0 HG21 VAL A 31 7.350 -5.641 -2.956 1.00 1.15 H new ATOM 0 HG22 VAL A 31 7.696 -4.706 -1.482 1.00 1.15 H new ATOM 0 HG23 VAL A 31 8.977 -5.685 -2.236 1.00 1.15 H new ATOM 290 N LYS A 32 10.419 -5.881 -0.266 1.00 0.24 N ATOM 291 CA LYS A 32 11.853 -5.876 -0.487 1.00 0.26 C ATOM 292 C LYS A 32 12.497 -4.716 0.257 1.00 0.31 C ATOM 293 O LYS A 32 12.075 -3.571 0.113 1.00 0.31 O ATOM 294 CB LYS A 32 12.169 -5.741 -1.973 1.00 0.30 C ATOM 295 CG LYS A 32 13.619 -6.009 -2.300 1.00 0.61 C ATOM 296 CD LYS A 32 13.971 -7.477 -2.128 1.00 1.14 C ATOM 297 CE LYS A 32 15.427 -7.739 -2.468 1.00 1.37 C ATOM 298 NZ LYS A 32 15.771 -9.178 -2.343 1.00 2.25 N ATOM 0 H LYS A 32 9.991 -4.955 -0.255 1.00 0.24 H new ATOM 0 HA LYS A 32 12.252 -6.820 -0.116 1.00 0.26 H new ATOM 0 HB2 LYS A 32 11.543 -6.433 -2.535 1.00 0.30 H new ATOM 0 HB3 LYS A 32 11.909 -4.735 -2.303 1.00 0.30 H new ATOM 0 HG2 LYS A 32 13.823 -5.703 -3.326 1.00 0.61 H new ATOM 0 HG3 LYS A 32 14.256 -5.404 -1.655 1.00 0.61 H new ATOM 0 HD2 LYS A 32 13.775 -7.782 -1.100 1.00 1.14 H new ATOM 0 HD3 LYS A 32 13.331 -8.084 -2.768 1.00 1.14 H new ATOM 0 HE2 LYS A 32 15.629 -7.404 -3.485 1.00 1.37 H new ATOM 0 HE3 LYS A 32 16.066 -7.154 -1.807 1.00 1.37 H new ATOM 0 HZ1 LYS A 32 16.773 -9.317 -2.583 1.00 2.25 H new ATOM 0 HZ2 LYS A 32 15.602 -9.492 -1.366 1.00 2.25 H new ATOM 0 HZ3 LYS A 32 15.179 -9.734 -2.992 1.00 2.25 H new ATOM 415 N ARG A 41 17.171 0.771 -0.362 1.00 0.39 N ATOM 416 CA ARG A 41 15.906 1.184 -0.930 1.00 0.33 C ATOM 417 C ARG A 41 14.859 0.159 -0.566 1.00 0.28 C ATOM 418 O ARG A 41 15.103 -1.047 -0.627 1.00 0.36 O ATOM 419 CB ARG A 41 15.985 1.328 -2.452 1.00 0.39 C ATOM 420 CG ARG A 41 17.104 0.518 -3.095 1.00 1.16 C ATOM 421 CD ARG A 41 16.944 0.438 -4.606 1.00 1.48 C ATOM 422 NE ARG A 41 15.855 -0.459 -4.989 1.00 2.15 N ATOM 423 CZ ARG A 41 15.280 -0.468 -6.190 1.00 2.71 C ATOM 424 NH1 ARG A 41 15.638 0.421 -7.108 1.00 2.69 N ATOM 425 NH2 ARG A 41 14.336 -1.361 -6.469 1.00 3.64 N ATOM 0 HA ARG A 41 15.645 2.162 -0.525 1.00 0.33 H new ATOM 0 HB2 ARG A 41 15.033 1.021 -2.885 1.00 0.39 H new ATOM 0 HB3 ARG A 41 16.124 2.380 -2.700 1.00 0.39 H new ATOM 0 HG2 ARG A 41 18.066 0.971 -2.854 1.00 1.16 H new ATOM 0 HG3 ARG A 41 17.112 -0.488 -2.676 1.00 1.16 H new ATOM 0 HD2 ARG A 41 16.752 1.434 -5.005 1.00 1.48 H new ATOM 0 HD3 ARG A 41 17.876 0.090 -5.052 1.00 1.48 H new ATOM 0 HE ARG A 41 15.514 -1.120 -4.291 1.00 2.15 H new ATOM 0 HH11 ARG A 41 16.356 1.114 -6.895 1.00 2.69 H new ATOM 0 HH12 ARG A 41 15.196 0.411 -8.027 1.00 2.69 H new ATOM 0 HH21 ARG A 41 14.052 -2.040 -5.763 1.00 3.64 H new ATOM 0 HH22 ARG A 41 13.896 -1.367 -7.389 1.00 3.64 H new ATOM 439 N PHE A 42 13.711 0.642 -0.155 1.00 0.23 N ATOM 440 CA PHE A 42 12.664 -0.218 0.338 1.00 0.24 C ATOM 441 C PHE A 42 11.481 -0.199 -0.612 1.00 0.19 C ATOM 442 O PHE A 42 11.027 0.860 -1.040 1.00 0.20 O ATOM 443 CB PHE A 42 12.236 0.222 1.741 1.00 0.32 C ATOM 444 CG PHE A 42 13.393 0.521 2.664 1.00 0.33 C ATOM 445 CD1 PHE A 42 14.472 -0.348 2.770 1.00 0.71 C ATOM 446 CD2 PHE A 42 13.395 1.676 3.426 1.00 0.37 C ATOM 447 CE1 PHE A 42 15.527 -0.067 3.621 1.00 0.79 C ATOM 448 CE2 PHE A 42 14.448 1.961 4.277 1.00 0.37 C ATOM 449 CZ PHE A 42 15.512 1.089 4.374 1.00 0.46 C ATOM 0 H PHE A 42 13.478 1.635 -0.153 1.00 0.23 H new ATOM 0 HA PHE A 42 13.043 -1.238 0.397 1.00 0.24 H new ATOM 0 HB2 PHE A 42 11.610 1.111 1.658 1.00 0.32 H new ATOM 0 HB3 PHE A 42 11.621 -0.561 2.186 1.00 0.32 H new ATOM 0 HD1 PHE A 42 14.488 -1.253 2.181 1.00 0.71 H new ATOM 0 HD2 PHE A 42 12.565 2.363 3.356 1.00 0.37 H new ATOM 0 HE1 PHE A 42 16.360 -0.751 3.695 1.00 0.79 H new ATOM 0 HE2 PHE A 42 14.437 2.867 4.865 1.00 0.37 H new ATOM 0 HZ PHE A 42 16.333 1.311 5.039 1.00 0.46 H new ATOM 459 N THR A 43 10.999 -1.378 -0.938 1.00 0.17 N ATOM 460 CA THR A 43 9.863 -1.537 -1.817 1.00 0.17 C ATOM 461 C THR A 43 8.771 -2.261 -1.049 1.00 0.17 C ATOM 462 O THR A 43 9.039 -3.286 -0.418 1.00 0.24 O ATOM 463 CB THR A 43 10.251 -2.354 -3.066 1.00 0.20 C ATOM 464 OG1 THR A 43 11.446 -1.815 -3.643 1.00 0.26 O ATOM 465 CG2 THR A 43 9.138 -2.333 -4.100 1.00 0.25 C ATOM 0 H THR A 43 11.387 -2.258 -0.598 1.00 0.17 H new ATOM 0 HA THR A 43 9.515 -0.559 -2.149 1.00 0.17 H new ATOM 0 HB THR A 43 10.419 -3.386 -2.759 1.00 0.20 H new ATOM 0 HG1 THR A 43 11.691 -2.337 -4.435 1.00 0.26 H new ATOM 0 HG21 THR A 43 9.439 -2.917 -4.970 1.00 0.25 H new ATOM 0 HG22 THR A 43 8.233 -2.763 -3.670 1.00 0.25 H new ATOM 0 HG23 THR A 43 8.942 -1.304 -4.403 1.00 0.25 H new ATOM 473 N PHE A 44 7.556 -1.744 -1.060 1.00 0.14 N ATOM 474 CA PHE A 44 6.490 -2.317 -0.267 1.00 0.12 C ATOM 475 C PHE A 44 5.202 -2.352 -1.091 1.00 0.13 C ATOM 476 O PHE A 44 5.024 -1.536 -1.998 1.00 0.16 O ATOM 477 CB PHE A 44 6.317 -1.480 1.015 1.00 0.14 C ATOM 478 CG PHE A 44 4.897 -1.296 1.442 1.00 0.13 C ATOM 479 CD1 PHE A 44 4.184 -2.337 2.001 1.00 0.14 C ATOM 480 CD2 PHE A 44 4.269 -0.083 1.257 1.00 0.15 C ATOM 481 CE1 PHE A 44 2.870 -2.172 2.366 1.00 0.16 C ATOM 482 CE2 PHE A 44 2.955 0.087 1.622 1.00 0.17 C ATOM 483 CZ PHE A 44 2.257 -0.961 2.174 1.00 0.15 C ATOM 0 H PHE A 44 7.285 -0.929 -1.610 1.00 0.14 H new ATOM 0 HA PHE A 44 6.733 -3.341 0.018 1.00 0.12 H new ATOM 0 HB2 PHE A 44 6.868 -1.958 1.824 1.00 0.14 H new ATOM 0 HB3 PHE A 44 6.767 -0.500 0.858 1.00 0.14 H new ATOM 0 HD1 PHE A 44 4.665 -3.292 2.153 1.00 0.14 H new ATOM 0 HD2 PHE A 44 4.814 0.741 0.821 1.00 0.15 H new ATOM 0 HE1 PHE A 44 2.322 -2.994 2.803 1.00 0.16 H new ATOM 0 HE2 PHE A 44 2.472 1.042 1.476 1.00 0.17 H new ATOM 0 HZ PHE A 44 1.223 -0.830 2.457 1.00 0.15 H new ATOM 493 N GLY A 45 4.319 -3.295 -0.784 1.00 0.13 N ATOM 494 CA GLY A 45 3.046 -3.380 -1.473 1.00 0.17 C ATOM 495 C GLY A 45 1.882 -3.449 -0.504 1.00 0.15 C ATOM 496 O GLY A 45 1.947 -4.173 0.492 1.00 0.15 O ATOM 0 H GLY A 45 4.464 -4.005 -0.066 1.00 0.13 H new ATOM 0 HA2 GLY A 45 2.926 -2.513 -2.123 1.00 0.17 H new ATOM 0 HA3 GLY A 45 3.038 -4.262 -2.113 1.00 0.17 H new ATOM 500 N VAL A 46 0.803 -2.738 -0.807 1.00 0.15 N ATOM 501 CA VAL A 46 -0.345 -2.679 0.095 1.00 0.15 C ATOM 502 C VAL A 46 -1.470 -3.514 -0.466 1.00 0.14 C ATOM 503 O VAL A 46 -1.524 -3.764 -1.671 1.00 0.19 O ATOM 504 CB VAL A 46 -0.916 -1.256 0.257 1.00 0.23 C ATOM 505 CG1 VAL A 46 -1.423 -1.042 1.672 1.00 0.80 C ATOM 506 CG2 VAL A 46 0.086 -0.193 -0.131 1.00 0.76 C ATOM 0 H VAL A 46 0.697 -2.196 -1.665 1.00 0.15 H new ATOM 0 HA VAL A 46 0.015 -3.038 1.059 1.00 0.15 H new ATOM 0 HB VAL A 46 -1.758 -1.161 -0.429 1.00 0.23 H new ATOM 0 HG11 VAL A 46 -1.822 -0.032 1.767 1.00 0.80 H new ATOM 0 HG12 VAL A 46 -2.209 -1.765 1.890 1.00 0.80 H new ATOM 0 HG13 VAL A 46 -0.602 -1.175 2.377 1.00 0.80 H new ATOM 0 HG21 VAL A 46 -0.360 0.793 -0.001 1.00 0.76 H new ATOM 0 HG22 VAL A 46 0.970 -0.278 0.502 1.00 0.76 H new ATOM 0 HG23 VAL A 46 0.372 -0.326 -1.174 1.00 0.76 H new ATOM 516 N ARG A 47 -2.375 -3.936 0.394 1.00 0.15 N ATOM 517 CA ARG A 47 -3.567 -4.628 -0.031 1.00 0.18 C ATOM 518 C ARG A 47 -4.693 -4.254 0.923 1.00 0.15 C ATOM 519 O ARG A 47 -4.462 -4.081 2.121 1.00 0.19 O ATOM 520 CB ARG A 47 -3.335 -6.146 -0.058 1.00 0.33 C ATOM 521 CG ARG A 47 -2.781 -6.709 1.240 1.00 0.66 C ATOM 522 CD ARG A 47 -2.422 -8.179 1.114 1.00 1.02 C ATOM 523 NE ARG A 47 -1.834 -8.695 2.350 1.00 1.43 N ATOM 524 CZ ARG A 47 -1.868 -9.975 2.716 1.00 1.85 C ATOM 525 NH1 ARG A 47 -2.440 -10.881 1.935 1.00 1.99 N ATOM 526 NH2 ARG A 47 -1.324 -10.346 3.866 1.00 2.62 N ATOM 0 H ARG A 47 -2.302 -3.808 1.403 1.00 0.15 H new ATOM 0 HA ARG A 47 -3.834 -4.333 -1.046 1.00 0.18 H new ATOM 0 HB2 ARG A 47 -4.278 -6.643 -0.285 1.00 0.33 H new ATOM 0 HB3 ARG A 47 -2.646 -6.384 -0.869 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -1.896 -6.143 1.532 1.00 0.66 H new ATOM 0 HG3 ARG A 47 -3.517 -6.582 2.034 1.00 0.66 H new ATOM 0 HD2 ARG A 47 -3.315 -8.753 0.868 1.00 1.02 H new ATOM 0 HD3 ARG A 47 -1.719 -8.314 0.292 1.00 1.02 H new ATOM 0 HE ARG A 47 -1.369 -8.033 2.971 1.00 1.43 H new ATOM 0 HH11 ARG A 47 -2.857 -10.599 1.048 1.00 1.99 H new ATOM 0 HH12 ARG A 47 -2.463 -11.860 2.221 1.00 1.99 H new ATOM 0 HH21 ARG A 47 -0.881 -9.652 4.468 1.00 2.62 H new ATOM 0 HH22 ARG A 47 -1.348 -11.326 4.149 1.00 2.62 H new ATOM 540 N VAL A 48 -5.885 -4.087 0.389 1.00 0.13 N ATOM 541 CA VAL A 48 -7.036 -3.676 1.185 1.00 0.13 C ATOM 542 C VAL A 48 -8.119 -4.747 1.144 1.00 0.12 C ATOM 543 O VAL A 48 -8.179 -5.531 0.198 1.00 0.13 O ATOM 544 CB VAL A 48 -7.619 -2.351 0.653 1.00 0.15 C ATOM 545 CG1 VAL A 48 -8.740 -1.845 1.542 1.00 0.24 C ATOM 546 CG2 VAL A 48 -6.540 -1.293 0.516 1.00 0.22 C ATOM 0 H VAL A 48 -6.089 -4.229 -0.600 1.00 0.13 H new ATOM 0 HA VAL A 48 -6.700 -3.535 2.212 1.00 0.13 H new ATOM 0 HB VAL A 48 -8.031 -2.553 -0.336 1.00 0.15 H new ATOM 0 HG11 VAL A 48 -9.129 -0.910 1.140 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -9.539 -2.586 1.577 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -8.358 -1.676 2.549 1.00 0.24 H new ATOM 0 HG21 VAL A 48 -6.981 -0.370 0.139 1.00 0.22 H new ATOM 0 HG22 VAL A 48 -6.087 -1.107 1.490 1.00 0.22 H new ATOM 0 HG23 VAL A 48 -5.776 -1.640 -0.179 1.00 0.22 H new ATOM 556 N ASN A 49 -8.975 -4.782 2.162 1.00 0.13 N ATOM 557 CA ASN A 49 -10.073 -5.734 2.186 1.00 0.15 C ATOM 558 C ASN A 49 -11.339 -5.069 1.659 1.00 0.16 C ATOM 559 O ASN A 49 -12.162 -4.555 2.417 1.00 0.18 O ATOM 560 CB ASN A 49 -10.313 -6.285 3.590 1.00 0.20 C ATOM 561 CG ASN A 49 -11.281 -7.456 3.581 1.00 0.66 C ATOM 562 OD1 ASN A 49 -10.871 -8.607 3.452 1.00 1.59 O ATOM 563 ND2 ASN A 49 -12.569 -7.175 3.711 1.00 1.21 N ATOM 0 H ASN A 49 -8.928 -4.166 2.973 1.00 0.13 H new ATOM 0 HA ASN A 49 -9.806 -6.574 1.545 1.00 0.15 H new ATOM 0 HB2 ASN A 49 -9.364 -6.602 4.023 1.00 0.20 H new ATOM 0 HB3 ASN A 49 -10.706 -5.494 4.228 1.00 0.20 H new ATOM 0 HD21 ASN A 49 -13.258 -7.927 3.706 1.00 1.21 H new ATOM 0 HD22 ASN A 49 -12.872 -6.207 3.816 1.00 1.21 H new ATOM 570 N THR A 50 -11.448 -5.075 0.349 1.00 0.17 N ATOM 571 CA THR A 50 -12.613 -4.506 -0.311 1.00 0.21 C ATOM 572 C THR A 50 -13.830 -5.367 -0.009 1.00 0.25 C ATOM 573 O THR A 50 -13.899 -6.522 -0.402 1.00 0.33 O ATOM 574 CB THR A 50 -12.418 -4.342 -1.830 1.00 0.27 C ATOM 575 OG1 THR A 50 -12.002 -5.577 -2.423 1.00 0.31 O ATOM 576 CG2 THR A 50 -11.394 -3.257 -2.119 1.00 0.29 C ATOM 0 H THR A 50 -10.749 -5.465 -0.283 1.00 0.17 H new ATOM 0 HA THR A 50 -12.763 -3.501 0.084 1.00 0.21 H new ATOM 0 HB THR A 50 -13.374 -4.051 -2.266 1.00 0.27 H new ATOM 0 HG1 THR A 50 -11.211 -5.915 -1.954 1.00 0.31 H new ATOM 0 HG21 THR A 50 -11.268 -3.154 -3.197 1.00 0.29 H new ATOM 0 HG22 THR A 50 -11.739 -2.311 -1.702 1.00 0.29 H new ATOM 0 HG23 THR A 50 -10.440 -3.527 -1.666 1.00 0.29 H new ATOM 584 N SER A 51 -14.767 -4.799 0.734 1.00 0.25 N ATOM 585 CA SER A 51 -15.909 -5.540 1.259 1.00 0.30 C ATOM 586 C SER A 51 -16.662 -6.311 0.172 1.00 0.33 C ATOM 587 O SER A 51 -17.281 -7.334 0.454 1.00 0.42 O ATOM 588 CB SER A 51 -16.862 -4.582 1.975 1.00 0.35 C ATOM 589 OG SER A 51 -17.927 -5.281 2.601 1.00 1.32 O ATOM 0 H SER A 51 -14.760 -3.812 0.991 1.00 0.25 H new ATOM 0 HA SER A 51 -15.521 -6.277 1.962 1.00 0.30 H new ATOM 0 HB2 SER A 51 -16.312 -4.010 2.722 1.00 0.35 H new ATOM 0 HB3 SER A 51 -17.266 -3.866 1.259 1.00 0.35 H new ATOM 0 HG SER A 51 -18.518 -4.642 3.051 1.00 1.32 H new ATOM 595 N ASP A 52 -16.606 -5.834 -1.061 1.00 0.33 N ATOM 596 CA ASP A 52 -17.351 -6.468 -2.138 1.00 0.41 C ATOM 597 C ASP A 52 -16.469 -7.370 -3.006 1.00 0.31 C ATOM 598 O ASP A 52 -16.974 -8.046 -3.904 1.00 0.37 O ATOM 599 CB ASP A 52 -18.038 -5.412 -3.005 1.00 0.64 C ATOM 600 CG ASP A 52 -17.076 -4.646 -3.891 1.00 0.82 C ATOM 601 OD1 ASP A 52 -16.170 -3.978 -3.347 1.00 0.85 O ATOM 602 OD2 ASP A 52 -17.206 -4.719 -5.131 1.00 1.30 O ATOM 0 H ASP A 52 -16.059 -5.019 -1.340 1.00 0.33 H new ATOM 0 HA ASP A 52 -18.106 -7.103 -1.673 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -18.789 -5.897 -3.629 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -18.565 -4.709 -2.360 1.00 0.64 H new ATOM 607 N ARG A 53 -15.161 -7.394 -2.751 1.00 0.28 N ATOM 608 CA ARG A 53 -14.253 -8.238 -3.536 1.00 0.28 C ATOM 609 C ARG A 53 -13.353 -9.065 -2.623 1.00 0.24 C ATOM 610 O ARG A 53 -13.282 -10.289 -2.735 1.00 0.29 O ATOM 611 CB ARG A 53 -13.371 -7.392 -4.453 1.00 0.42 C ATOM 612 CG ARG A 53 -14.129 -6.376 -5.274 1.00 1.14 C ATOM 613 CD ARG A 53 -13.185 -5.566 -6.142 1.00 1.45 C ATOM 614 NE ARG A 53 -13.822 -4.365 -6.668 1.00 2.15 N ATOM 615 CZ ARG A 53 -13.371 -3.677 -7.711 1.00 2.81 C ATOM 616 NH1 ARG A 53 -12.301 -4.098 -8.378 1.00 3.05 N ATOM 617 NH2 ARG A 53 -13.992 -2.568 -8.090 1.00 3.68 N ATOM 0 H ARG A 53 -14.709 -6.848 -2.018 1.00 0.28 H new ATOM 0 HA ARG A 53 -14.873 -8.901 -4.139 1.00 0.28 H new ATOM 0 HB2 ARG A 53 -12.629 -6.872 -3.847 1.00 0.42 H new ATOM 0 HB3 ARG A 53 -12.826 -8.054 -5.126 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -14.861 -6.884 -5.902 1.00 1.14 H new ATOM 0 HG3 ARG A 53 -14.683 -5.710 -4.613 1.00 1.14 H new ATOM 0 HD2 ARG A 53 -12.307 -5.285 -5.559 1.00 1.45 H new ATOM 0 HD3 ARG A 53 -12.834 -6.183 -6.970 1.00 1.45 H new ATOM 0 HE ARG A 53 -14.668 -4.032 -6.206 1.00 2.15 H new ATOM 0 HH11 ARG A 53 -11.823 -4.952 -8.089 1.00 3.05 H new ATOM 0 HH12 ARG A 53 -11.958 -3.567 -9.178 1.00 3.05 H new ATOM 0 HH21 ARG A 53 -14.815 -2.245 -7.581 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -13.647 -2.039 -8.891 1.00 3.68 H new ATOM 631 N GLY A 54 -12.696 -8.377 -1.700 1.00 0.18 N ATOM 632 CA GLY A 54 -11.737 -9.004 -0.823 1.00 0.19 C ATOM 633 C GLY A 54 -10.376 -8.350 -0.896 1.00 0.17 C ATOM 634 O GLY A 54 -10.270 -7.153 -1.181 1.00 0.17 O ATOM 0 H GLY A 54 -12.816 -7.376 -1.544 1.00 0.18 H new ATOM 0 HA2 GLY A 54 -12.104 -8.960 0.203 1.00 0.19 H new ATOM 0 HA3 GLY A 54 -11.645 -10.058 -1.084 1.00 0.19 H new ATOM 638 N TRP A 55 -9.343 -9.127 -0.605 1.00 0.18 N ATOM 639 CA TRP A 55 -7.973 -8.648 -0.714 1.00 0.18 C ATOM 640 C TRP A 55 -7.682 -8.119 -2.117 1.00 0.19 C ATOM 641 O TRP A 55 -7.806 -8.842 -3.108 1.00 0.24 O ATOM 642 CB TRP A 55 -6.979 -9.756 -0.368 1.00 0.24 C ATOM 643 CG TRP A 55 -6.615 -9.824 1.088 1.00 0.26 C ATOM 644 CD1 TRP A 55 -6.566 -10.941 1.867 1.00 0.35 C ATOM 645 CD2 TRP A 55 -6.245 -8.731 1.935 1.00 0.24 C ATOM 646 NE1 TRP A 55 -6.167 -10.612 3.141 1.00 0.39 N ATOM 647 CE2 TRP A 55 -5.968 -9.260 3.207 1.00 0.32 C ATOM 648 CE3 TRP A 55 -6.115 -7.358 1.742 1.00 0.18 C ATOM 649 CZ2 TRP A 55 -5.564 -8.459 4.274 1.00 0.34 C ATOM 650 CZ3 TRP A 55 -5.720 -6.569 2.803 1.00 0.19 C ATOM 651 CH2 TRP A 55 -5.447 -7.117 4.052 1.00 0.27 C ATOM 0 H TRP A 55 -9.428 -10.094 -0.291 1.00 0.18 H new ATOM 0 HA TRP A 55 -7.857 -7.831 -0.002 1.00 0.18 H new ATOM 0 HB2 TRP A 55 -7.401 -10.714 -0.671 1.00 0.24 H new ATOM 0 HB3 TRP A 55 -6.070 -9.609 -0.952 1.00 0.24 H new ATOM 0 HD1 TRP A 55 -6.806 -11.939 1.532 1.00 0.35 H new ATOM 0 HE1 TRP A 55 -6.040 -11.269 3.911 1.00 0.39 H new ATOM 0 HE3 TRP A 55 -6.320 -6.918 0.777 1.00 0.18 H new ATOM 0 HZ2 TRP A 55 -5.351 -8.885 5.243 1.00 0.34 H new ATOM 0 HZ3 TRP A 55 -5.621 -5.503 2.661 1.00 0.19 H new ATOM 0 HH2 TRP A 55 -5.137 -6.470 4.860 1.00 0.27 H new ATOM 662 N THR A 56 -7.315 -6.849 -2.188 1.00 0.18 N ATOM 663 CA THR A 56 -6.957 -6.220 -3.451 1.00 0.22 C ATOM 664 C THR A 56 -5.613 -6.732 -3.949 1.00 0.26 C ATOM 665 O THR A 56 -4.830 -7.301 -3.181 1.00 0.36 O ATOM 666 CB THR A 56 -6.878 -4.689 -3.308 1.00 0.22 C ATOM 667 OG1 THR A 56 -5.920 -4.339 -2.301 1.00 0.22 O ATOM 668 CG2 THR A 56 -8.231 -4.106 -2.946 1.00 0.24 C ATOM 0 H THR A 56 -7.257 -6.229 -1.380 1.00 0.18 H new ATOM 0 HA THR A 56 -7.737 -6.476 -4.168 1.00 0.22 H new ATOM 0 HB THR A 56 -6.567 -4.275 -4.267 1.00 0.22 H new ATOM 0 HG1 THR A 56 -5.875 -3.364 -2.218 1.00 0.22 H new ATOM 0 HG21 THR A 56 -8.147 -3.023 -2.851 1.00 0.24 H new ATOM 0 HG22 THR A 56 -8.952 -4.347 -3.727 1.00 0.24 H new ATOM 0 HG23 THR A 56 -8.568 -4.528 -1.999 1.00 0.24 H new ATOM 676 N ASP A 57 -5.351 -6.540 -5.235 1.00 0.30 N ATOM 677 CA ASP A 57 -4.049 -6.871 -5.796 1.00 0.34 C ATOM 678 C ASP A 57 -2.986 -6.004 -5.142 1.00 0.23 C ATOM 679 O ASP A 57 -3.164 -4.793 -4.988 1.00 0.35 O ATOM 680 CB ASP A 57 -4.030 -6.701 -7.324 1.00 0.49 C ATOM 681 CG ASP A 57 -4.288 -5.278 -7.790 1.00 0.93 C ATOM 682 OD1 ASP A 57 -5.460 -4.851 -7.794 1.00 0.98 O ATOM 683 OD2 ASP A 57 -3.314 -4.566 -8.120 1.00 1.84 O ATOM 0 H ASP A 57 -6.019 -6.159 -5.905 1.00 0.30 H new ATOM 0 HA ASP A 57 -3.838 -7.920 -5.590 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -3.062 -7.027 -7.704 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -4.782 -7.358 -7.762 1.00 0.49 H new ATOM 688 N GLU A 58 -1.906 -6.646 -4.715 1.00 0.27 N ATOM 689 CA GLU A 58 -0.850 -5.969 -3.977 1.00 0.27 C ATOM 690 C GLU A 58 -0.302 -4.796 -4.768 1.00 0.23 C ATOM 691 O GLU A 58 0.264 -4.962 -5.852 1.00 0.28 O ATOM 692 CB GLU A 58 0.276 -6.932 -3.630 1.00 0.42 C ATOM 693 CG GLU A 58 1.326 -6.336 -2.707 1.00 0.44 C ATOM 694 CD GLU A 58 2.290 -7.375 -2.177 1.00 0.67 C ATOM 695 OE1 GLU A 58 3.150 -7.845 -2.951 1.00 0.83 O ATOM 696 OE2 GLU A 58 2.181 -7.740 -0.989 1.00 1.00 O ATOM 0 H GLU A 58 -1.739 -7.640 -4.869 1.00 0.27 H new ATOM 0 HA GLU A 58 -1.285 -5.593 -3.051 1.00 0.27 H new ATOM 0 HB2 GLU A 58 -0.148 -7.819 -3.159 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.758 -7.260 -4.551 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.883 -5.569 -3.244 1.00 0.44 H new ATOM 0 HG3 GLU A 58 0.831 -5.844 -1.870 1.00 0.44 H new ATOM 703 N CYS A 59 -0.479 -3.621 -4.209 1.00 0.19 N ATOM 704 CA CYS A 59 -0.074 -2.391 -4.855 1.00 0.20 C ATOM 705 C CYS A 59 1.326 -2.005 -4.412 1.00 0.17 C ATOM 706 O CYS A 59 1.515 -1.432 -3.339 1.00 0.17 O ATOM 707 CB CYS A 59 -1.064 -1.280 -4.510 1.00 0.27 C ATOM 708 SG CYS A 59 -2.789 -1.729 -4.808 1.00 0.36 S ATOM 0 H CYS A 59 -0.908 -3.490 -3.293 1.00 0.19 H new ATOM 0 HA CYS A 59 -0.067 -2.538 -5.935 1.00 0.20 H new ATOM 0 HB2 CYS A 59 -0.944 -1.011 -3.461 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -0.822 -0.394 -5.096 1.00 0.27 H new ATOM 0 HG CYS A 59 -2.905 -3.024 -4.815 1.00 0.36 H new ATOM 714 N ILE A 60 2.299 -2.347 -5.236 1.00 0.18 N ATOM 715 CA ILE A 60 3.685 -2.027 -4.969 1.00 0.16 C ATOM 716 C ILE A 60 3.957 -0.551 -5.239 1.00 0.16 C ATOM 717 O ILE A 60 3.698 -0.051 -6.338 1.00 0.18 O ATOM 718 CB ILE A 60 4.612 -2.891 -5.849 1.00 0.21 C ATOM 719 CG1 ILE A 60 4.474 -4.371 -5.495 1.00 0.44 C ATOM 720 CG2 ILE A 60 6.055 -2.443 -5.722 1.00 0.27 C ATOM 721 CD1 ILE A 60 5.017 -4.713 -4.133 1.00 0.74 C ATOM 0 H ILE A 60 2.149 -2.854 -6.108 1.00 0.18 H new ATOM 0 HA ILE A 60 3.886 -2.238 -3.919 1.00 0.16 H new ATOM 0 HB ILE A 60 4.307 -2.758 -6.887 1.00 0.21 H new ATOM 0 HG12 ILE A 60 3.421 -4.651 -5.539 1.00 0.44 H new ATOM 0 HG13 ILE A 60 4.994 -4.967 -6.245 1.00 0.44 H new ATOM 0 HG21 ILE A 60 6.687 -3.069 -6.352 1.00 0.27 H new ATOM 0 HG22 ILE A 60 6.142 -1.404 -6.038 1.00 0.27 H new ATOM 0 HG23 ILE A 60 6.374 -2.534 -4.684 1.00 0.27 H new ATOM 0 HD11 ILE A 60 4.887 -5.779 -3.947 1.00 0.74 H new ATOM 0 HD12 ILE A 60 6.077 -4.464 -4.091 1.00 0.74 H new ATOM 0 HD13 ILE A 60 4.480 -4.144 -3.374 1.00 0.74 H new ATOM 733 N GLY A 61 4.463 0.138 -4.227 1.00 0.16 N ATOM 734 CA GLY A 61 4.818 1.533 -4.376 1.00 0.20 C ATOM 735 C GLY A 61 6.212 1.708 -4.935 1.00 0.21 C ATOM 736 O GLY A 61 6.819 0.749 -5.416 1.00 0.23 O ATOM 0 H GLY A 61 4.635 -0.248 -3.299 1.00 0.16 H new ATOM 0 HA2 GLY A 61 4.100 2.021 -5.035 1.00 0.20 H new ATOM 0 HA3 GLY A 61 4.751 2.029 -3.408 1.00 0.20 H new ATOM 740 N GLU A 62 6.729 2.921 -4.862 1.00 0.27 N ATOM 741 CA GLU A 62 8.040 3.220 -5.405 1.00 0.31 C ATOM 742 C GLU A 62 9.116 2.962 -4.357 1.00 0.25 C ATOM 743 O GLU A 62 8.936 3.298 -3.186 1.00 0.29 O ATOM 744 CB GLU A 62 8.097 4.676 -5.866 1.00 0.47 C ATOM 745 CG GLU A 62 7.044 5.025 -6.906 1.00 0.79 C ATOM 746 CD GLU A 62 7.263 6.394 -7.511 1.00 1.07 C ATOM 747 OE1 GLU A 62 8.019 6.506 -8.500 1.00 1.37 O ATOM 748 OE2 GLU A 62 6.676 7.370 -6.998 1.00 1.32 O ATOM 0 H GLU A 62 6.259 3.717 -4.431 1.00 0.27 H new ATOM 0 HA GLU A 62 8.221 2.570 -6.261 1.00 0.31 H new ATOM 0 HB2 GLU A 62 7.972 5.328 -5.001 1.00 0.47 H new ATOM 0 HB3 GLU A 62 9.085 4.880 -6.279 1.00 0.47 H new ATOM 0 HG2 GLU A 62 7.056 4.275 -7.697 1.00 0.79 H new ATOM 0 HG3 GLU A 62 6.057 4.988 -6.446 1.00 0.79 H new ATOM 755 N PRO A 63 10.237 2.338 -4.762 1.00 0.24 N ATOM 756 CA PRO A 63 11.376 2.092 -3.872 1.00 0.24 C ATOM 757 C PRO A 63 11.853 3.375 -3.204 1.00 0.21 C ATOM 758 O PRO A 63 12.305 4.306 -3.874 1.00 0.24 O ATOM 759 CB PRO A 63 12.454 1.540 -4.805 1.00 0.32 C ATOM 760 CG PRO A 63 11.701 0.958 -5.951 1.00 0.51 C ATOM 761 CD PRO A 63 10.476 1.813 -6.119 1.00 0.30 C ATOM 0 HA PRO A 63 11.123 1.413 -3.058 1.00 0.24 H new ATOM 0 HB2 PRO A 63 13.132 2.327 -5.136 1.00 0.32 H new ATOM 0 HB3 PRO A 63 13.061 0.785 -4.306 1.00 0.32 H new ATOM 0 HG2 PRO A 63 12.306 0.961 -6.857 1.00 0.51 H new ATOM 0 HG3 PRO A 63 11.429 -0.079 -5.753 1.00 0.51 H new ATOM 0 HD2 PRO A 63 10.642 2.616 -6.837 1.00 0.30 H new ATOM 0 HD3 PRO A 63 9.627 1.232 -6.481 1.00 0.30 H new ATOM 769 N MET A 64 11.741 3.422 -1.888 1.00 0.19 N ATOM 770 CA MET A 64 12.034 4.625 -1.127 1.00 0.20 C ATOM 771 C MET A 64 13.228 4.414 -0.208 1.00 0.21 C ATOM 772 O MET A 64 13.506 3.292 0.209 1.00 0.26 O ATOM 773 CB MET A 64 10.818 5.012 -0.294 1.00 0.24 C ATOM 774 CG MET A 64 9.701 5.648 -1.099 1.00 0.32 C ATOM 775 SD MET A 64 10.203 7.212 -1.840 1.00 0.62 S ATOM 776 CE MET A 64 8.641 7.783 -2.493 1.00 0.67 C ATOM 0 H MET A 64 11.445 2.630 -1.318 1.00 0.19 H new ATOM 0 HA MET A 64 12.275 5.423 -1.829 1.00 0.20 H new ATOM 0 HB2 MET A 64 10.433 4.122 0.204 1.00 0.24 H new ATOM 0 HB3 MET A 64 11.130 5.705 0.487 1.00 0.24 H new ATOM 0 HG2 MET A 64 9.384 4.961 -1.884 1.00 0.32 H new ATOM 0 HG3 MET A 64 8.839 5.814 -0.453 1.00 0.32 H new ATOM 0 HE1 MET A 64 8.782 8.745 -2.985 1.00 0.67 H new ATOM 0 HE2 MET A 64 8.261 7.059 -3.214 1.00 0.67 H new ATOM 0 HE3 MET A 64 7.925 7.894 -1.679 1.00 0.67 H new ATOM 786 N PRO A 65 13.950 5.495 0.119 1.00 0.23 N ATOM 787 CA PRO A 65 15.105 5.438 1.017 1.00 0.26 C ATOM 788 C PRO A 65 14.717 5.456 2.498 1.00 0.25 C ATOM 789 O PRO A 65 15.578 5.601 3.367 1.00 0.27 O ATOM 790 CB PRO A 65 15.870 6.708 0.656 1.00 0.31 C ATOM 791 CG PRO A 65 14.806 7.676 0.271 1.00 0.32 C ATOM 792 CD PRO A 65 13.723 6.864 -0.393 1.00 0.29 C ATOM 0 HA PRO A 65 15.671 4.514 0.894 1.00 0.26 H new ATOM 0 HB2 PRO A 65 16.456 7.074 1.499 1.00 0.31 H new ATOM 0 HB3 PRO A 65 16.567 6.534 -0.164 1.00 0.31 H new ATOM 0 HG2 PRO A 65 14.420 8.199 1.146 1.00 0.32 H new ATOM 0 HG3 PRO A 65 15.196 8.434 -0.408 1.00 0.32 H new ATOM 0 HD2 PRO A 65 12.730 7.230 -0.131 1.00 0.29 H new ATOM 0 HD3 PRO A 65 13.801 6.904 -1.479 1.00 0.29 H new ATOM 800 N SER A 66 13.426 5.317 2.781 1.00 0.23 N ATOM 801 CA SER A 66 12.930 5.310 4.149 1.00 0.24 C ATOM 802 C SER A 66 11.600 4.562 4.197 1.00 0.22 C ATOM 803 O SER A 66 10.760 4.713 3.305 1.00 0.20 O ATOM 804 CB SER A 66 12.755 6.748 4.655 1.00 0.29 C ATOM 805 OG SER A 66 12.267 6.777 5.988 1.00 1.30 O ATOM 0 H SER A 66 12.700 5.207 2.073 1.00 0.23 H new ATOM 0 HA SER A 66 13.649 4.806 4.795 1.00 0.24 H new ATOM 0 HB2 SER A 66 13.710 7.271 4.605 1.00 0.29 H new ATOM 0 HB3 SER A 66 12.065 7.283 4.002 1.00 0.29 H new ATOM 0 HG SER A 66 12.169 7.707 6.280 1.00 1.30 H new ATOM 811 N VAL A 67 11.418 3.761 5.241 1.00 0.25 N ATOM 812 CA VAL A 67 10.260 2.874 5.348 1.00 0.26 C ATOM 813 C VAL A 67 8.963 3.652 5.524 1.00 0.25 C ATOM 814 O VAL A 67 7.883 3.149 5.213 1.00 0.29 O ATOM 815 CB VAL A 67 10.399 1.876 6.521 1.00 0.37 C ATOM 816 CG1 VAL A 67 11.612 0.983 6.330 1.00 1.14 C ATOM 817 CG2 VAL A 67 10.473 2.606 7.855 1.00 1.08 C ATOM 0 H VAL A 67 12.061 3.706 6.031 1.00 0.25 H new ATOM 0 HA VAL A 67 10.225 2.321 4.409 1.00 0.26 H new ATOM 0 HB VAL A 67 9.510 1.246 6.531 1.00 0.37 H new ATOM 0 HG11 VAL A 67 11.689 0.290 7.168 1.00 1.14 H new ATOM 0 HG12 VAL A 67 11.508 0.421 5.402 1.00 1.14 H new ATOM 0 HG13 VAL A 67 12.512 1.597 6.283 1.00 1.14 H new ATOM 0 HG21 VAL A 67 10.570 1.880 8.662 1.00 1.08 H new ATOM 0 HG22 VAL A 67 11.337 3.271 7.859 1.00 1.08 H new ATOM 0 HG23 VAL A 67 9.565 3.191 8.001 1.00 1.08 H new ATOM 827 N LYS A 68 9.070 4.878 6.014 1.00 0.29 N ATOM 828 CA LYS A 68 7.894 5.679 6.318 1.00 0.32 C ATOM 829 C LYS A 68 7.263 6.213 5.037 1.00 0.30 C ATOM 830 O LYS A 68 6.042 6.190 4.876 1.00 0.33 O ATOM 831 CB LYS A 68 8.271 6.834 7.246 1.00 0.41 C ATOM 832 CG LYS A 68 8.930 6.381 8.541 1.00 1.12 C ATOM 833 CD LYS A 68 8.012 5.482 9.355 1.00 1.56 C ATOM 834 CE LYS A 68 8.683 5.006 10.633 1.00 2.37 C ATOM 835 NZ LYS A 68 9.044 6.135 11.529 1.00 2.82 N ATOM 0 H LYS A 68 9.958 5.340 6.209 1.00 0.29 H new ATOM 0 HA LYS A 68 7.163 5.046 6.822 1.00 0.32 H new ATOM 0 HB2 LYS A 68 8.948 7.507 6.719 1.00 0.41 H new ATOM 0 HB3 LYS A 68 7.374 7.406 7.484 1.00 0.41 H new ATOM 0 HG2 LYS A 68 9.853 5.848 8.313 1.00 1.12 H new ATOM 0 HG3 LYS A 68 9.205 7.253 9.134 1.00 1.12 H new ATOM 0 HD2 LYS A 68 7.099 6.023 9.603 1.00 1.56 H new ATOM 0 HD3 LYS A 68 7.720 4.621 8.755 1.00 1.56 H new ATOM 0 HE2 LYS A 68 8.015 4.325 11.160 1.00 2.37 H new ATOM 0 HE3 LYS A 68 9.581 4.442 10.382 1.00 2.37 H new ATOM 0 HZ1 LYS A 68 9.341 5.763 12.454 1.00 2.82 H new ATOM 0 HZ2 LYS A 68 9.825 6.677 11.107 1.00 2.82 H new ATOM 0 HZ3 LYS A 68 8.219 6.756 11.654 1.00 2.82 H new ATOM 849 N LYS A 69 8.101 6.683 4.124 1.00 0.29 N ATOM 850 CA LYS A 69 7.619 7.193 2.851 1.00 0.32 C ATOM 851 C LYS A 69 7.377 6.045 1.876 1.00 0.24 C ATOM 852 O LYS A 69 6.697 6.213 0.865 1.00 0.24 O ATOM 853 CB LYS A 69 8.580 8.229 2.268 1.00 0.47 C ATOM 854 CG LYS A 69 9.970 7.701 2.003 1.00 0.57 C ATOM 855 CD LYS A 69 10.973 8.817 1.722 1.00 0.45 C ATOM 856 CE LYS A 69 10.635 9.626 0.470 1.00 0.90 C ATOM 857 NZ LYS A 69 9.548 10.621 0.696 1.00 1.36 N ATOM 0 H LYS A 69 9.114 6.721 4.241 1.00 0.29 H new ATOM 0 HA LYS A 69 6.668 7.698 3.023 1.00 0.32 H new ATOM 0 HB2 LYS A 69 8.164 8.610 1.335 1.00 0.47 H new ATOM 0 HB3 LYS A 69 8.648 9.072 2.955 1.00 0.47 H new ATOM 0 HG2 LYS A 69 10.306 7.122 2.863 1.00 0.57 H new ATOM 0 HG3 LYS A 69 9.941 7.020 1.153 1.00 0.57 H new ATOM 0 HD2 LYS A 69 11.012 9.487 2.581 1.00 0.45 H new ATOM 0 HD3 LYS A 69 11.967 8.384 1.610 1.00 0.45 H new ATOM 0 HE2 LYS A 69 11.530 10.145 0.127 1.00 0.90 H new ATOM 0 HE3 LYS A 69 10.337 8.945 -0.327 1.00 0.90 H new ATOM 0 HZ1 LYS A 69 8.686 10.311 0.204 1.00 1.36 H new ATOM 0 HZ2 LYS A 69 9.356 10.700 1.715 1.00 1.36 H new ATOM 0 HZ3 LYS A 69 9.843 11.547 0.326 1.00 1.36 H new ATOM 871 N ALA A 70 7.956 4.883 2.178 1.00 0.21 N ATOM 872 CA ALA A 70 7.705 3.678 1.399 1.00 0.19 C ATOM 873 C ALA A 70 6.221 3.342 1.404 1.00 0.16 C ATOM 874 O ALA A 70 5.594 3.241 0.347 1.00 0.17 O ATOM 875 CB ALA A 70 8.516 2.511 1.942 1.00 0.21 C ATOM 0 H ALA A 70 8.602 4.754 2.957 1.00 0.21 H new ATOM 0 HA ALA A 70 8.015 3.863 0.371 1.00 0.19 H new ATOM 0 HB1 ALA A 70 8.315 1.620 1.347 1.00 0.21 H new ATOM 0 HB2 ALA A 70 9.578 2.750 1.889 1.00 0.21 H new ATOM 0 HB3 ALA A 70 8.237 2.325 2.979 1.00 0.21 H new ATOM 881 N LYS A 71 5.662 3.163 2.608 1.00 0.15 N ATOM 882 CA LYS A 71 4.231 2.945 2.785 1.00 0.17 C ATOM 883 C LYS A 71 3.435 4.041 2.085 1.00 0.16 C ATOM 884 O LYS A 71 2.498 3.767 1.333 1.00 0.17 O ATOM 885 CB LYS A 71 3.881 2.935 4.277 1.00 0.29 C ATOM 886 CG LYS A 71 4.588 1.853 5.081 1.00 0.92 C ATOM 887 CD LYS A 71 4.372 2.049 6.575 1.00 1.29 C ATOM 888 CE LYS A 71 5.056 0.968 7.399 1.00 1.99 C ATOM 889 NZ LYS A 71 4.399 -0.355 7.240 1.00 2.42 N ATOM 0 H LYS A 71 6.191 3.166 3.480 1.00 0.15 H new ATOM 0 HA LYS A 71 3.973 1.981 2.346 1.00 0.17 H new ATOM 0 HB2 LYS A 71 4.129 3.907 4.703 1.00 0.29 H new ATOM 0 HB3 LYS A 71 2.804 2.805 4.384 1.00 0.29 H new ATOM 0 HG2 LYS A 71 4.216 0.873 4.782 1.00 0.92 H new ATOM 0 HG3 LYS A 71 5.655 1.870 4.860 1.00 0.92 H new ATOM 0 HD2 LYS A 71 4.754 3.026 6.871 1.00 1.29 H new ATOM 0 HD3 LYS A 71 3.303 2.046 6.790 1.00 1.29 H new ATOM 0 HE2 LYS A 71 6.101 0.892 7.100 1.00 1.99 H new ATOM 0 HE3 LYS A 71 5.046 1.253 8.451 1.00 1.99 H new ATOM 0 HZ1 LYS A 71 4.832 -1.038 7.894 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 3.385 -0.267 7.452 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 4.520 -0.687 6.262 1.00 2.42 H new ATOM 903 N ASP A 72 3.830 5.280 2.356 1.00 0.19 N ATOM 904 CA ASP A 72 3.211 6.461 1.762 1.00 0.24 C ATOM 905 C ASP A 72 3.081 6.346 0.245 1.00 0.22 C ATOM 906 O ASP A 72 2.004 6.573 -0.307 1.00 0.23 O ATOM 907 CB ASP A 72 4.028 7.705 2.115 1.00 0.32 C ATOM 908 CG ASP A 72 3.479 8.962 1.480 1.00 1.06 C ATOM 909 OD1 ASP A 72 2.496 9.520 2.012 1.00 0.99 O ATOM 910 OD2 ASP A 72 4.028 9.401 0.448 1.00 2.01 O ATOM 0 H ASP A 72 4.593 5.495 2.998 1.00 0.19 H new ATOM 0 HA ASP A 72 2.204 6.543 2.172 1.00 0.24 H new ATOM 0 HB2 ASP A 72 4.046 7.828 3.198 1.00 0.32 H new ATOM 0 HB3 ASP A 72 5.059 7.561 1.793 1.00 0.32 H new ATOM 915 N SER A 73 4.173 5.988 -0.419 1.00 0.21 N ATOM 916 CA SER A 73 4.191 5.875 -1.872 1.00 0.24 C ATOM 917 C SER A 73 3.153 4.870 -2.367 1.00 0.20 C ATOM 918 O SER A 73 2.369 5.166 -3.273 1.00 0.24 O ATOM 919 CB SER A 73 5.589 5.459 -2.339 1.00 0.30 C ATOM 920 OG SER A 73 5.649 5.332 -3.749 1.00 1.14 O ATOM 0 H SER A 73 5.063 5.770 0.029 1.00 0.21 H new ATOM 0 HA SER A 73 3.939 6.849 -2.292 1.00 0.24 H new ATOM 0 HB2 SER A 73 6.319 6.197 -2.008 1.00 0.30 H new ATOM 0 HB3 SER A 73 5.862 4.511 -1.875 1.00 0.30 H new ATOM 0 HG SER A 73 6.054 6.138 -4.133 1.00 1.14 H new ATOM 926 N ALA A 74 3.136 3.695 -1.758 1.00 0.16 N ATOM 927 CA ALA A 74 2.239 2.636 -2.194 1.00 0.17 C ATOM 928 C ALA A 74 0.783 3.013 -1.923 1.00 0.16 C ATOM 929 O ALA A 74 -0.110 2.723 -2.717 1.00 0.17 O ATOM 930 CB ALA A 74 2.603 1.337 -1.501 1.00 0.18 C ATOM 0 H ALA A 74 3.729 3.451 -0.965 1.00 0.16 H new ATOM 0 HA ALA A 74 2.350 2.500 -3.270 1.00 0.17 H new ATOM 0 HB1 ALA A 74 1.928 0.547 -1.831 1.00 0.18 H new ATOM 0 HB2 ALA A 74 3.629 1.066 -1.751 1.00 0.18 H new ATOM 0 HB3 ALA A 74 2.514 1.463 -0.422 1.00 0.18 H new ATOM 936 N ALA A 75 0.565 3.676 -0.791 1.00 0.18 N ATOM 937 CA ALA A 75 -0.757 4.152 -0.402 1.00 0.21 C ATOM 938 C ALA A 75 -1.326 5.134 -1.425 1.00 0.21 C ATOM 939 O ALA A 75 -2.540 5.202 -1.607 1.00 0.24 O ATOM 940 CB ALA A 75 -0.696 4.789 0.976 1.00 0.26 C ATOM 0 H ALA A 75 1.299 3.898 -0.119 1.00 0.18 H new ATOM 0 HA ALA A 75 -1.428 3.293 -0.368 1.00 0.21 H new ATOM 0 HB1 ALA A 75 -1.688 5.142 1.258 1.00 0.26 H new ATOM 0 HB2 ALA A 75 -0.353 4.052 1.702 1.00 0.26 H new ATOM 0 HB3 ALA A 75 -0.004 5.631 0.957 1.00 0.26 H new ATOM 946 N VAL A 76 -0.462 5.896 -2.104 1.00 0.21 N ATOM 947 CA VAL A 76 -0.906 6.813 -3.148 1.00 0.25 C ATOM 948 C VAL A 76 -1.534 6.035 -4.303 1.00 0.20 C ATOM 949 O VAL A 76 -2.540 6.452 -4.878 1.00 0.21 O ATOM 950 CB VAL A 76 0.264 7.672 -3.689 1.00 0.36 C ATOM 951 CG1 VAL A 76 -0.207 8.612 -4.788 1.00 0.77 C ATOM 952 CG2 VAL A 76 0.919 8.460 -2.567 1.00 0.83 C ATOM 0 H VAL A 76 0.546 5.893 -1.947 1.00 0.21 H new ATOM 0 HA VAL A 76 -1.646 7.479 -2.703 1.00 0.25 H new ATOM 0 HB VAL A 76 1.003 6.993 -4.115 1.00 0.36 H new ATOM 0 HG11 VAL A 76 0.636 9.202 -5.148 1.00 0.77 H new ATOM 0 HG12 VAL A 76 -0.621 8.030 -5.612 1.00 0.77 H new ATOM 0 HG13 VAL A 76 -0.974 9.278 -4.393 1.00 0.77 H new ATOM 0 HG21 VAL A 76 1.738 9.056 -2.971 1.00 0.83 H new ATOM 0 HG22 VAL A 76 0.183 9.119 -2.107 1.00 0.83 H new ATOM 0 HG23 VAL A 76 1.307 7.771 -1.817 1.00 0.83 H new ATOM 962 N LEU A 77 -0.954 4.882 -4.606 1.00 0.19 N ATOM 963 CA LEU A 77 -1.440 4.046 -5.690 1.00 0.21 C ATOM 964 C LEU A 77 -2.710 3.323 -5.255 1.00 0.22 C ATOM 965 O LEU A 77 -3.578 3.008 -6.072 1.00 0.28 O ATOM 966 CB LEU A 77 -0.361 3.047 -6.100 1.00 0.26 C ATOM 967 CG LEU A 77 0.956 3.670 -6.573 1.00 0.32 C ATOM 968 CD1 LEU A 77 1.952 2.589 -6.954 1.00 0.39 C ATOM 969 CD2 LEU A 77 0.716 4.608 -7.749 1.00 0.39 C ATOM 0 H LEU A 77 -0.144 4.505 -4.114 1.00 0.19 H new ATOM 0 HA LEU A 77 -1.675 4.671 -6.552 1.00 0.21 H new ATOM 0 HB2 LEU A 77 -0.152 2.394 -5.253 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -0.755 2.418 -6.898 1.00 0.26 H new ATOM 0 HG LEU A 77 1.373 4.250 -5.749 1.00 0.32 H new ATOM 0 HD11 LEU A 77 2.881 3.051 -7.287 1.00 0.39 H new ATOM 0 HD12 LEU A 77 2.151 1.957 -6.089 1.00 0.39 H new ATOM 0 HD13 LEU A 77 1.539 1.982 -7.760 1.00 0.39 H new ATOM 0 HD21 LEU A 77 1.664 5.040 -8.069 1.00 0.39 H new ATOM 0 HD22 LEU A 77 0.274 4.051 -8.575 1.00 0.39 H new ATOM 0 HD23 LEU A 77 0.038 5.406 -7.446 1.00 0.39 H new ATOM 981 N LEU A 78 -2.807 3.078 -3.954 1.00 0.22 N ATOM 982 CA LEU A 78 -4.007 2.520 -3.350 1.00 0.27 C ATOM 983 C LEU A 78 -5.200 3.438 -3.584 1.00 0.27 C ATOM 984 O LEU A 78 -6.290 2.986 -3.932 1.00 0.29 O ATOM 985 CB LEU A 78 -3.787 2.347 -1.845 1.00 0.36 C ATOM 986 CG LEU A 78 -3.523 0.927 -1.352 1.00 0.35 C ATOM 987 CD1 LEU A 78 -3.707 0.876 0.153 1.00 0.77 C ATOM 988 CD2 LEU A 78 -4.436 -0.083 -2.040 1.00 0.81 C ATOM 0 H LEU A 78 -2.055 3.261 -3.289 1.00 0.22 H new ATOM 0 HA LEU A 78 -4.212 1.553 -3.809 1.00 0.27 H new ATOM 0 HB2 LEU A 78 -2.944 2.972 -1.550 1.00 0.36 H new ATOM 0 HB3 LEU A 78 -4.666 2.730 -1.326 1.00 0.36 H new ATOM 0 HG LEU A 78 -2.497 0.657 -1.603 1.00 0.35 H new ATOM 0 HD11 LEU A 78 -3.519 -0.137 0.508 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -3.007 1.563 0.629 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -4.727 1.165 0.405 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -4.220 -1.083 -1.665 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -5.476 0.166 -1.832 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -4.265 -0.055 -3.116 1.00 0.81 H new ATOM 1000 N LEU A 79 -4.974 4.728 -3.389 1.00 0.30 N ATOM 1001 CA LEU A 79 -6.017 5.730 -3.562 1.00 0.38 C ATOM 1002 C LEU A 79 -6.542 5.758 -4.991 1.00 0.34 C ATOM 1003 O LEU A 79 -7.695 6.113 -5.221 1.00 0.37 O ATOM 1004 CB LEU A 79 -5.498 7.108 -3.160 1.00 0.48 C ATOM 1005 CG LEU A 79 -5.784 7.514 -1.710 1.00 0.68 C ATOM 1006 CD1 LEU A 79 -5.277 6.465 -0.736 1.00 1.61 C ATOM 1007 CD2 LEU A 79 -5.157 8.863 -1.405 1.00 1.08 C ATOM 0 H LEU A 79 -4.070 5.109 -3.109 1.00 0.30 H new ATOM 0 HA LEU A 79 -6.848 5.457 -2.912 1.00 0.38 H new ATOM 0 HB2 LEU A 79 -4.420 7.135 -3.322 1.00 0.48 H new ATOM 0 HB3 LEU A 79 -5.939 7.853 -3.823 1.00 0.48 H new ATOM 0 HG LEU A 79 -6.865 7.592 -1.590 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -5.494 6.781 0.284 1.00 1.61 H new ATOM 0 HD12 LEU A 79 -5.772 5.514 -0.935 1.00 1.61 H new ATOM 0 HD13 LEU A 79 -4.200 6.346 -0.858 1.00 1.61 H new ATOM 0 HD21 LEU A 79 -5.369 9.137 -0.372 1.00 1.08 H new ATOM 0 HD22 LEU A 79 -4.078 8.804 -1.551 1.00 1.08 H new ATOM 0 HD23 LEU A 79 -5.573 9.617 -2.073 1.00 1.08 H new ATOM 1019 N GLU A 80 -5.702 5.389 -5.949 1.00 0.30 N ATOM 1020 CA GLU A 80 -6.125 5.295 -7.334 1.00 0.33 C ATOM 1021 C GLU A 80 -7.036 4.090 -7.532 1.00 0.27 C ATOM 1022 O GLU A 80 -8.085 4.191 -8.158 1.00 0.30 O ATOM 1023 CB GLU A 80 -4.899 5.180 -8.223 1.00 0.43 C ATOM 1024 CG GLU A 80 -3.947 6.345 -8.054 1.00 0.80 C ATOM 1025 CD GLU A 80 -4.541 7.646 -8.551 1.00 1.46 C ATOM 1026 OE1 GLU A 80 -4.604 7.843 -9.782 1.00 2.13 O ATOM 1027 OE2 GLU A 80 -4.938 8.480 -7.713 1.00 1.86 O ATOM 0 H GLU A 80 -4.723 5.150 -5.789 1.00 0.30 H new ATOM 0 HA GLU A 80 -6.685 6.191 -7.601 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -4.375 4.252 -7.995 1.00 0.43 H new ATOM 0 HB3 GLU A 80 -5.214 5.121 -9.265 1.00 0.43 H new ATOM 0 HG2 GLU A 80 -3.683 6.447 -7.001 1.00 0.80 H new ATOM 0 HG3 GLU A 80 -3.024 6.139 -8.595 1.00 0.80 H new ATOM 1034 N LEU A 81 -6.637 2.966 -6.952 1.00 0.23 N ATOM 1035 CA LEU A 81 -7.396 1.726 -7.045 1.00 0.24 C ATOM 1036 C LEU A 81 -8.769 1.930 -6.418 1.00 0.25 C ATOM 1037 O LEU A 81 -9.801 1.610 -7.007 1.00 0.32 O ATOM 1038 CB LEU A 81 -6.628 0.618 -6.313 1.00 0.31 C ATOM 1039 CG LEU A 81 -7.062 -0.828 -6.590 1.00 0.41 C ATOM 1040 CD1 LEU A 81 -5.997 -1.788 -6.087 1.00 1.08 C ATOM 1041 CD2 LEU A 81 -8.397 -1.152 -5.933 1.00 1.17 C ATOM 0 H LEU A 81 -5.780 2.888 -6.405 1.00 0.23 H new ATOM 0 HA LEU A 81 -7.528 1.438 -8.088 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.573 0.710 -6.570 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -6.712 0.798 -5.241 1.00 0.31 H new ATOM 0 HG LEU A 81 -7.184 -0.939 -7.667 1.00 0.41 H new ATOM 0 HD11 LEU A 81 -6.309 -2.814 -6.285 1.00 1.08 H new ATOM 0 HD12 LEU A 81 -5.056 -1.589 -6.600 1.00 1.08 H new ATOM 0 HD13 LEU A 81 -5.861 -1.651 -5.014 1.00 1.08 H new ATOM 0 HD21 LEU A 81 -8.669 -2.184 -6.152 1.00 1.17 H new ATOM 0 HD22 LEU A 81 -8.313 -1.020 -4.854 1.00 1.17 H new ATOM 0 HD23 LEU A 81 -9.165 -0.484 -6.321 1.00 1.17 H new ATOM 1053 N LEU A 82 -8.754 2.491 -5.221 1.00 0.28 N ATOM 1054 CA LEU A 82 -9.961 2.765 -4.457 1.00 0.41 C ATOM 1055 C LEU A 82 -10.854 3.802 -5.132 1.00 0.46 C ATOM 1056 O LEU A 82 -12.050 3.879 -4.843 1.00 0.63 O ATOM 1057 CB LEU A 82 -9.560 3.240 -3.066 1.00 0.50 C ATOM 1058 CG LEU A 82 -9.423 2.144 -2.008 1.00 0.59 C ATOM 1059 CD1 LEU A 82 -8.865 0.852 -2.591 1.00 0.86 C ATOM 1060 CD2 LEU A 82 -8.540 2.625 -0.869 1.00 1.15 C ATOM 0 H LEU A 82 -7.896 2.772 -4.747 1.00 0.28 H new ATOM 0 HA LEU A 82 -10.543 1.845 -4.394 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -8.609 3.768 -3.142 1.00 0.50 H new ATOM 0 HB3 LEU A 82 -10.299 3.963 -2.721 1.00 0.50 H new ATOM 0 HG LEU A 82 -10.422 1.928 -1.630 1.00 0.59 H new ATOM 0 HD11 LEU A 82 -8.785 0.102 -1.804 1.00 0.86 H new ATOM 0 HD12 LEU A 82 -9.532 0.488 -3.373 1.00 0.86 H new ATOM 0 HD13 LEU A 82 -7.878 1.040 -3.014 1.00 0.86 H new ATOM 0 HD21 LEU A 82 -8.449 1.837 -0.121 1.00 1.15 H new ATOM 0 HD22 LEU A 82 -7.552 2.874 -1.255 1.00 1.15 H new ATOM 0 HD23 LEU A 82 -8.985 3.509 -0.412 1.00 1.15 H new ATOM 1072 N ASN A 83 -10.283 4.589 -6.029 1.00 0.45 N ATOM 1073 CA ASN A 83 -11.048 5.609 -6.737 1.00 0.55 C ATOM 1074 C ASN A 83 -11.579 5.032 -8.044 1.00 0.53 C ATOM 1075 O ASN A 83 -12.326 5.676 -8.778 1.00 0.59 O ATOM 1076 CB ASN A 83 -10.170 6.839 -6.995 1.00 0.67 C ATOM 1077 CG ASN A 83 -10.954 8.039 -7.494 1.00 0.85 C ATOM 1078 OD1 ASN A 83 -11.550 8.775 -6.705 1.00 1.37 O ATOM 1079 ND2 ASN A 83 -10.926 8.272 -8.796 1.00 1.46 N ATOM 0 H ASN A 83 -9.297 4.544 -6.285 1.00 0.45 H new ATOM 0 HA ASN A 83 -11.895 5.921 -6.126 1.00 0.55 H new ATOM 0 HB2 ASN A 83 -9.653 7.108 -6.074 1.00 0.67 H new ATOM 0 HB3 ASN A 83 -9.404 6.584 -7.727 1.00 0.67 H new ATOM 0 HD21 ASN A 83 -11.409 9.085 -9.179 1.00 1.46 H new ATOM 0 HD22 ASN A 83 -10.421 7.639 -9.417 1.00 1.46 H new