USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 811 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 59 ASN : amide:sc= 3.01 K(o=3.7,f=-8.5!) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.734 K(o=3.7,f=2) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0.681 USER MOD Set 2.2: A 100 LYS NZ :NH3+ -166:sc= 0.699 (180deg=-0.129) USER MOD Set 3.1: A 32 CYS SG : rot -59:sc= -0.142 USER MOD Set 3.2: A 35 CYS SG : rot 70:sc= -0.863 USER MOD Set 4.1: A 8 THR OG1 : rot -47:sc= 0.95 USER MOD Set 4.2: A 11 SER OG : rot 98:sc= 2.29 USER MOD Single : A 6 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 18 LYS NZ :NH3+ 179:sc= 0.74 (180deg=0.726) USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= 1.04 (180deg=-0.237) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0775 X(o=-0.078,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 152:sc= 0.637 (180deg=0.248) USER MOD Single : A 54 THR OG1 : rot 76:sc= 0.831 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0.945 (180deg=0.885) USER MOD Single : A 63 ASN : amide:sc= 0.648 K(o=0.65,f=-4.7!) USER MOD Single : A 66 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0.698 (180deg=0.669) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -55:sc= 1.24 USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= 0.744 (180deg=0.654) USER MOD Single : A 83 ASN : amide:sc= 0.954 K(o=0.95,f=-0.18) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.21) USER MOD Single : A 95 SER OG : rot -92:sc= 0.0801 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.14) USER MOD Single : A 106 ASN : amide:sc= 1.03 K(o=1,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 -9.361 -2.483 -9.588 1.00 0.00 N ATOM 47 CA ILE A 4 -7.961 -2.663 -9.261 1.00 0.00 C ATOM 48 C ILE A 4 -7.432 -3.916 -9.949 1.00 0.00 C ATOM 49 O ILE A 4 -8.082 -4.962 -9.942 1.00 0.00 O ATOM 50 CB ILE A 4 -7.763 -2.735 -7.739 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.290 -1.438 -7.104 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.287 -2.982 -7.406 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.915 -1.308 -5.627 1.00 0.00 C ATOM 0 HA ILE A 4 -7.396 -1.804 -9.623 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.326 -3.572 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.893 -0.583 -7.652 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.375 -1.405 -7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.161 -3.031 -6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.966 -3.924 -7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.683 -2.167 -7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.313 -0.374 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.334 -2.146 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.830 -1.312 -5.525 1.00 0.00 H new ATOM 65 N ILE A 5 -6.230 -3.804 -10.512 1.00 0.00 N ATOM 66 CA ILE A 5 -5.550 -4.901 -11.183 1.00 0.00 C ATOM 67 C ILE A 5 -4.737 -5.693 -10.151 1.00 0.00 C ATOM 68 O ILE A 5 -3.743 -5.190 -9.628 1.00 0.00 O ATOM 69 CB ILE A 5 -4.663 -4.354 -12.318 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.419 -3.412 -13.276 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.009 -5.505 -13.096 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.688 -4.012 -13.894 1.00 0.00 C ATOM 0 H ILE A 5 -5.697 -2.934 -10.513 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.277 -5.576 -11.635 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.886 -3.755 -11.843 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.688 -2.505 -12.735 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.745 -3.115 -14.080 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.387 -5.098 -13.893 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.392 -6.097 -12.420 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.784 -6.139 -13.528 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.153 -3.279 -14.553 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.428 -4.902 -14.467 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.386 -4.282 -13.102 1.00 0.00 H new ATOM 84 N HIS A 6 -5.140 -6.930 -9.856 1.00 0.00 N ATOM 85 CA HIS A 6 -4.414 -7.792 -8.929 1.00 0.00 C ATOM 86 C HIS A 6 -3.272 -8.463 -9.699 1.00 0.00 C ATOM 87 O HIS A 6 -3.502 -9.412 -10.443 1.00 0.00 O ATOM 88 CB HIS A 6 -5.354 -8.799 -8.261 1.00 0.00 C ATOM 89 CG HIS A 6 -6.141 -8.187 -7.126 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.111 -8.599 -5.806 1.00 0.00 N ATOM 91 CD2 HIS A 6 -6.934 -7.075 -7.200 1.00 0.00 C ATOM 92 CE1 HIS A 6 -6.883 -7.754 -5.096 1.00 0.00 C ATOM 93 NE2 HIS A 6 -7.398 -6.828 -5.925 1.00 0.00 N ATOM 0 H HIS A 6 -5.976 -7.359 -10.253 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.989 -7.206 -8.114 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.044 -9.197 -9.005 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.772 -9.640 -7.884 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.155 -6.500 -8.087 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -7.060 -7.811 -4.032 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.026 -6.071 -5.656 1.00 0.00 H new ATOM 102 N LEU A 7 -2.053 -7.948 -9.535 1.00 0.00 N ATOM 103 CA LEU A 7 -0.861 -8.414 -10.226 1.00 0.00 C ATOM 104 C LEU A 7 -0.235 -9.625 -9.540 1.00 0.00 C ATOM 105 O LEU A 7 -0.480 -9.889 -8.363 1.00 0.00 O ATOM 106 CB LEU A 7 0.177 -7.285 -10.215 1.00 0.00 C ATOM 107 CG LEU A 7 -0.263 -6.019 -10.958 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.712 -4.896 -10.610 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.257 -6.233 -12.469 1.00 0.00 C ATOM 0 H LEU A 7 -1.868 -7.173 -8.898 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.151 -8.699 -11.237 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.404 -7.025 -9.181 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.101 -7.652 -10.662 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.279 -5.766 -10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.417 -3.984 -11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.698 -4.722 -9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.718 -5.179 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.574 -5.317 -12.967 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.750 -6.494 -12.795 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.943 -7.041 -12.725 1.00 0.00 H new ATOM 121 N THR A 8 0.638 -10.315 -10.280 1.00 0.00 N ATOM 122 CA THR A 8 1.452 -11.418 -9.803 1.00 0.00 C ATOM 123 C THR A 8 2.877 -11.127 -10.270 1.00 0.00 C ATOM 124 O THR A 8 3.058 -10.322 -11.182 1.00 0.00 O ATOM 125 CB THR A 8 0.945 -12.741 -10.386 1.00 0.00 C ATOM 126 OG1 THR A 8 1.124 -12.724 -11.788 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.532 -12.987 -10.064 1.00 0.00 C ATOM 0 H THR A 8 0.797 -10.106 -11.266 1.00 0.00 H new ATOM 0 HA THR A 8 1.408 -11.511 -8.718 1.00 0.00 H new ATOM 0 HB THR A 8 1.518 -13.550 -9.932 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.800 -11.873 -12.149 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.846 -13.936 -10.498 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.668 -13.019 -8.983 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.135 -12.180 -10.482 1.00 0.00 H new ATOM 135 N ASP A 9 3.891 -11.772 -9.687 1.00 0.00 N ATOM 136 CA ASP A 9 5.278 -11.554 -10.082 1.00 0.00 C ATOM 137 C ASP A 9 5.448 -11.896 -11.563 1.00 0.00 C ATOM 138 O ASP A 9 6.026 -11.133 -12.333 1.00 0.00 O ATOM 139 CB ASP A 9 6.207 -12.398 -9.192 1.00 0.00 C ATOM 140 CG ASP A 9 7.678 -11.990 -9.269 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.027 -11.171 -10.146 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.443 -12.509 -8.427 1.00 0.00 O ATOM 0 H ASP A 9 3.772 -12.452 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 9 5.546 -10.506 -9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.872 -12.320 -8.158 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.115 -13.446 -9.479 1.00 0.00 H new ATOM 147 N ASP A 10 4.896 -13.041 -11.970 1.00 0.00 N ATOM 148 CA ASP A 10 4.949 -13.497 -13.351 1.00 0.00 C ATOM 149 C ASP A 10 4.225 -12.534 -14.293 1.00 0.00 C ATOM 150 O ASP A 10 4.726 -12.255 -15.380 1.00 0.00 O ATOM 151 CB ASP A 10 4.401 -14.924 -13.471 1.00 0.00 C ATOM 152 CG ASP A 10 2.974 -15.053 -12.952 1.00 0.00 C ATOM 153 OD1 ASP A 10 2.844 -15.159 -11.713 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.052 -15.035 -13.797 1.00 0.00 O ATOM 0 H ASP A 10 4.399 -13.676 -11.345 1.00 0.00 H new ATOM 0 HA ASP A 10 5.995 -13.512 -13.658 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.432 -15.234 -14.516 1.00 0.00 H new ATOM 0 HB3 ASP A 10 5.047 -15.605 -12.917 1.00 0.00 H new ATOM 159 N SER A 11 3.059 -12.013 -13.897 1.00 0.00 N ATOM 160 CA SER A 11 2.302 -11.134 -14.781 1.00 0.00 C ATOM 161 C SER A 11 2.893 -9.719 -14.794 1.00 0.00 C ATOM 162 O SER A 11 2.745 -9.000 -15.781 1.00 0.00 O ATOM 163 CB SER A 11 0.816 -11.167 -14.405 1.00 0.00 C ATOM 164 OG SER A 11 0.552 -10.456 -13.203 1.00 0.00 O ATOM 0 H SER A 11 2.629 -12.183 -12.988 1.00 0.00 H new ATOM 0 HA SER A 11 2.381 -11.497 -15.806 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.228 -10.738 -15.216 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.494 -12.202 -14.291 1.00 0.00 H new ATOM 0 HG SER A 11 0.227 -9.557 -13.419 1.00 0.00 H new ATOM 170 N PHE A 12 3.572 -9.327 -13.708 1.00 0.00 N ATOM 171 CA PHE A 12 4.229 -8.037 -13.515 1.00 0.00 C ATOM 172 C PHE A 12 4.971 -7.568 -14.766 1.00 0.00 C ATOM 173 O PHE A 12 4.882 -6.403 -15.151 1.00 0.00 O ATOM 174 CB PHE A 12 5.221 -8.143 -12.350 1.00 0.00 C ATOM 175 CG PHE A 12 5.607 -6.815 -11.744 1.00 0.00 C ATOM 176 CD1 PHE A 12 6.656 -6.060 -12.293 1.00 0.00 C ATOM 177 CD2 PHE A 12 4.938 -6.359 -10.596 1.00 0.00 C ATOM 178 CE1 PHE A 12 7.023 -4.841 -11.701 1.00 0.00 C ATOM 179 CE2 PHE A 12 5.373 -5.193 -9.948 1.00 0.00 C ATOM 180 CZ PHE A 12 6.413 -4.431 -10.504 1.00 0.00 C ATOM 0 H PHE A 12 3.681 -9.938 -12.899 1.00 0.00 H new ATOM 0 HA PHE A 12 3.453 -7.303 -13.298 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.786 -8.772 -11.573 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.123 -8.646 -12.700 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.179 -6.416 -13.168 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.089 -6.906 -10.212 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.774 -4.219 -12.166 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.909 -4.882 -9.024 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.744 -3.529 -10.011 1.00 0.00 H new ATOM 190 N ASP A 13 5.716 -8.477 -15.399 1.00 0.00 N ATOM 191 CA ASP A 13 6.472 -8.165 -16.601 1.00 0.00 C ATOM 192 C ASP A 13 5.565 -7.533 -17.660 1.00 0.00 C ATOM 193 O ASP A 13 5.756 -6.391 -18.071 1.00 0.00 O ATOM 194 CB ASP A 13 7.138 -9.437 -17.135 1.00 0.00 C ATOM 195 CG ASP A 13 7.766 -9.186 -18.502 1.00 0.00 C ATOM 196 OD1 ASP A 13 8.871 -8.605 -18.523 1.00 0.00 O ATOM 197 OD2 ASP A 13 7.115 -9.555 -19.505 1.00 0.00 O ATOM 0 H ASP A 13 5.808 -9.445 -15.090 1.00 0.00 H new ATOM 0 HA ASP A 13 7.249 -7.441 -16.356 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.902 -9.774 -16.435 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.400 -10.236 -17.210 1.00 0.00 H new ATOM 202 N THR A 14 4.579 -8.295 -18.120 1.00 0.00 N ATOM 203 CA THR A 14 3.678 -7.862 -19.167 1.00 0.00 C ATOM 204 C THR A 14 2.791 -6.705 -18.708 1.00 0.00 C ATOM 205 O THR A 14 2.551 -5.763 -19.456 1.00 0.00 O ATOM 206 CB THR A 14 2.851 -9.076 -19.610 1.00 0.00 C ATOM 207 OG1 THR A 14 3.677 -10.228 -19.596 1.00 0.00 O ATOM 208 CG2 THR A 14 2.273 -8.883 -21.013 1.00 0.00 C ATOM 0 H THR A 14 4.386 -9.234 -17.772 1.00 0.00 H new ATOM 0 HA THR A 14 4.250 -7.479 -20.012 1.00 0.00 H new ATOM 0 HB THR A 14 2.018 -9.193 -18.917 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.155 -11.008 -19.876 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.694 -9.763 -21.292 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.627 -8.005 -21.023 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.086 -8.743 -21.725 1.00 0.00 H new ATOM 216 N ASP A 15 2.275 -6.797 -17.483 1.00 0.00 N ATOM 217 CA ASP A 15 1.332 -5.825 -16.958 1.00 0.00 C ATOM 218 C ASP A 15 1.968 -4.470 -16.667 1.00 0.00 C ATOM 219 O ASP A 15 1.415 -3.440 -17.038 1.00 0.00 O ATOM 220 CB ASP A 15 0.692 -6.355 -15.668 1.00 0.00 C ATOM 221 CG ASP A 15 -0.067 -7.669 -15.816 1.00 0.00 C ATOM 222 OD1 ASP A 15 -0.490 -7.982 -16.949 1.00 0.00 O ATOM 223 OD2 ASP A 15 -0.212 -8.342 -14.771 1.00 0.00 O ATOM 0 H ASP A 15 2.502 -7.548 -16.832 1.00 0.00 H new ATOM 0 HA ASP A 15 0.580 -5.679 -17.734 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.474 -6.487 -14.920 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.007 -5.599 -15.283 1.00 0.00 H new ATOM 228 N VAL A 16 3.086 -4.476 -15.939 1.00 0.00 N ATOM 229 CA VAL A 16 3.753 -3.273 -15.468 1.00 0.00 C ATOM 230 C VAL A 16 4.943 -2.922 -16.353 1.00 0.00 C ATOM 231 O VAL A 16 5.009 -1.818 -16.892 1.00 0.00 O ATOM 232 CB VAL A 16 4.185 -3.446 -13.998 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.750 -2.136 -13.436 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.014 -3.889 -13.112 1.00 0.00 C ATOM 0 H VAL A 16 3.558 -5.336 -15.658 1.00 0.00 H new ATOM 0 HA VAL A 16 3.048 -2.443 -15.525 1.00 0.00 H new ATOM 0 HB VAL A 16 4.954 -4.218 -13.988 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.048 -2.284 -12.398 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.617 -1.833 -14.022 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.987 -1.359 -13.488 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.358 -4.000 -12.084 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.224 -3.139 -13.151 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.627 -4.843 -13.470 1.00 0.00 H new ATOM 244 N LEU A 17 5.903 -3.837 -16.493 1.00 0.00 N ATOM 245 CA LEU A 17 7.122 -3.516 -17.228 1.00 0.00 C ATOM 246 C LEU A 17 6.848 -3.203 -18.695 1.00 0.00 C ATOM 247 O LEU A 17 7.464 -2.288 -19.239 1.00 0.00 O ATOM 248 CB LEU A 17 8.242 -4.530 -16.970 1.00 0.00 C ATOM 249 CG LEU A 17 8.525 -4.666 -15.460 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.658 -5.663 -15.213 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.900 -3.321 -14.819 1.00 0.00 C ATOM 0 H LEU A 17 5.862 -4.784 -16.116 1.00 0.00 H new ATOM 0 HA LEU A 17 7.515 -2.582 -16.827 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.961 -5.500 -17.380 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.149 -4.216 -17.487 1.00 0.00 H new ATOM 0 HG LEU A 17 7.604 -5.024 -15.000 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.843 -5.745 -14.142 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.377 -6.639 -15.609 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.563 -5.316 -15.712 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.090 -3.465 -13.756 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.796 -2.927 -15.298 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.080 -2.615 -14.948 1.00 0.00 H new ATOM 263 N LYS A 18 5.900 -3.901 -19.326 1.00 0.00 N ATOM 264 CA LYS A 18 5.514 -3.597 -20.701 1.00 0.00 C ATOM 265 C LYS A 18 4.301 -2.653 -20.739 1.00 0.00 C ATOM 266 O LYS A 18 3.606 -2.589 -21.753 1.00 0.00 O ATOM 267 CB LYS A 18 5.297 -4.891 -21.494 1.00 0.00 C ATOM 268 CG LYS A 18 6.595 -5.701 -21.584 1.00 0.00 C ATOM 269 CD LYS A 18 6.394 -6.966 -22.427 1.00 0.00 C ATOM 270 CE LYS A 18 7.728 -7.636 -22.775 1.00 0.00 C ATOM 271 NZ LYS A 18 8.487 -8.014 -21.570 1.00 0.00 N ATOM 0 H LYS A 18 5.389 -4.677 -18.906 1.00 0.00 H new ATOM 0 HA LYS A 18 6.328 -3.061 -21.189 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.522 -5.490 -21.015 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.942 -4.653 -22.497 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.381 -5.087 -22.024 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.927 -5.975 -20.583 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.765 -7.670 -21.882 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.865 -6.711 -23.345 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.541 -8.524 -23.379 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.327 -6.957 -23.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.374 -8.479 -21.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.703 -7.162 -21.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.920 -8.669 -20.994 1.00 0.00 H new ATOM 285 N ALA A 19 4.041 -1.897 -19.664 1.00 0.00 N ATOM 286 CA ALA A 19 2.936 -0.948 -19.646 1.00 0.00 C ATOM 287 C ALA A 19 3.234 0.239 -20.557 1.00 0.00 C ATOM 288 O ALA A 19 4.393 0.544 -20.835 1.00 0.00 O ATOM 289 CB ALA A 19 2.708 -0.425 -18.229 1.00 0.00 C ATOM 0 H ALA A 19 4.583 -1.929 -18.801 1.00 0.00 H new ATOM 0 HA ALA A 19 2.045 -1.467 -19.998 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.879 0.283 -18.231 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.471 -1.258 -17.567 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.610 0.074 -17.876 1.00 0.00 H new ATOM 295 N ASP A 20 2.184 0.953 -20.969 1.00 0.00 N ATOM 296 CA ASP A 20 2.280 2.166 -21.771 1.00 0.00 C ATOM 297 C ASP A 20 1.269 3.172 -21.227 1.00 0.00 C ATOM 298 O ASP A 20 0.357 3.614 -21.917 1.00 0.00 O ATOM 299 CB ASP A 20 2.063 1.839 -23.250 1.00 0.00 C ATOM 300 CG ASP A 20 2.206 3.067 -24.147 1.00 0.00 C ATOM 301 OD1 ASP A 20 3.014 3.952 -23.788 1.00 0.00 O ATOM 302 OD2 ASP A 20 1.517 3.090 -25.190 1.00 0.00 O ATOM 0 H ASP A 20 1.223 0.694 -20.747 1.00 0.00 H new ATOM 0 HA ASP A 20 3.274 2.608 -21.703 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.782 1.081 -23.560 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.070 1.410 -23.382 1.00 0.00 H new ATOM 307 N GLY A 21 1.432 3.491 -19.945 1.00 0.00 N ATOM 308 CA GLY A 21 0.572 4.400 -19.211 1.00 0.00 C ATOM 309 C GLY A 21 1.004 4.421 -17.747 1.00 0.00 C ATOM 310 O GLY A 21 2.020 3.812 -17.400 1.00 0.00 O ATOM 0 H GLY A 21 2.189 3.110 -19.377 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.633 5.402 -19.636 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.468 4.083 -19.292 1.00 0.00 H new ATOM 314 N ALA A 22 0.235 5.121 -16.908 1.00 0.00 N ATOM 315 CA ALA A 22 0.477 5.251 -15.478 1.00 0.00 C ATOM 316 C ALA A 22 -0.162 4.084 -14.724 1.00 0.00 C ATOM 317 O ALA A 22 -1.353 3.807 -14.907 1.00 0.00 O ATOM 318 CB ALA A 22 -0.084 6.589 -14.988 1.00 0.00 C ATOM 0 H ALA A 22 -0.595 5.625 -17.219 1.00 0.00 H new ATOM 0 HA ALA A 22 1.550 5.227 -15.287 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.096 6.689 -13.918 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.408 7.405 -15.516 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.156 6.626 -15.181 1.00 0.00 H new ATOM 324 N ILE A 23 0.621 3.409 -13.876 1.00 0.00 N ATOM 325 CA ILE A 23 0.181 2.284 -13.072 1.00 0.00 C ATOM 326 C ILE A 23 0.656 2.467 -11.630 1.00 0.00 C ATOM 327 O ILE A 23 1.858 2.531 -11.384 1.00 0.00 O ATOM 328 CB ILE A 23 0.676 0.956 -13.679 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.378 0.859 -15.191 1.00 0.00 C ATOM 330 CG2 ILE A 23 0.128 -0.227 -12.871 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.320 -0.575 -15.722 1.00 0.00 C ATOM 0 H ILE A 23 1.603 3.643 -13.732 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.908 2.245 -13.066 1.00 0.00 H new ATOM 0 HB ILE A 23 1.763 0.922 -13.606 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.573 1.350 -15.396 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.145 1.408 -15.738 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.483 -1.161 -13.307 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.473 -0.154 -11.840 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.962 -0.208 -12.891 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.107 -0.559 -16.791 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.278 -1.065 -15.551 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.466 -1.124 -15.203 1.00 0.00 H new ATOM 343 N LEU A 24 -0.275 2.505 -10.671 1.00 0.00 N ATOM 344 CA LEU A 24 0.041 2.587 -9.250 1.00 0.00 C ATOM 345 C LEU A 24 0.023 1.163 -8.725 1.00 0.00 C ATOM 346 O LEU A 24 -1.047 0.570 -8.637 1.00 0.00 O ATOM 347 CB LEU A 24 -0.978 3.477 -8.525 1.00 0.00 C ATOM 348 CG LEU A 24 -0.711 3.706 -7.024 1.00 0.00 C ATOM 349 CD1 LEU A 24 -0.908 2.487 -6.119 1.00 0.00 C ATOM 350 CD2 LEU A 24 0.650 4.357 -6.766 1.00 0.00 C ATOM 0 H LEU A 24 -1.276 2.479 -10.866 1.00 0.00 H new ATOM 0 HA LEU A 24 1.017 3.041 -9.079 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.007 4.446 -9.023 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.967 3.032 -8.636 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.499 4.403 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.693 2.762 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.938 2.140 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.233 1.690 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.789 4.497 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.440 3.714 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.691 5.325 -7.266 1.00 0.00 H new ATOM 362 N VAL A 25 1.187 0.617 -8.387 1.00 0.00 N ATOM 363 CA VAL A 25 1.314 -0.749 -7.897 1.00 0.00 C ATOM 364 C VAL A 25 1.448 -0.749 -6.379 1.00 0.00 C ATOM 365 O VAL A 25 2.494 -0.369 -5.853 1.00 0.00 O ATOM 366 CB VAL A 25 2.504 -1.456 -8.558 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.576 -2.898 -8.042 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.365 -1.478 -10.084 1.00 0.00 C ATOM 0 H VAL A 25 2.075 1.115 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 25 0.413 -1.302 -8.162 1.00 0.00 H new ATOM 0 HB VAL A 25 3.412 -0.909 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.419 -3.409 -8.507 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.707 -2.891 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.653 -3.420 -8.292 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.225 -1.986 -10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.453 -2.008 -10.359 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.318 -0.456 -10.460 1.00 0.00 H new ATOM 378 N ASP A 26 0.401 -1.197 -5.682 1.00 0.00 N ATOM 379 CA ASP A 26 0.369 -1.297 -4.232 1.00 0.00 C ATOM 380 C ASP A 26 0.789 -2.702 -3.802 1.00 0.00 C ATOM 381 O ASP A 26 -0.010 -3.632 -3.892 1.00 0.00 O ATOM 382 CB ASP A 26 -1.043 -0.972 -3.723 1.00 0.00 C ATOM 383 CG ASP A 26 -1.223 -1.375 -2.264 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.284 -1.847 -1.871 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.168 -1.214 -1.426 1.00 0.00 O ATOM 0 H ASP A 26 -0.464 -1.506 -6.126 1.00 0.00 H new ATOM 0 HA ASP A 26 1.068 -0.580 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.232 0.096 -3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.779 -1.490 -4.337 1.00 0.00 H new ATOM 391 N PHE A 27 2.006 -2.851 -3.285 1.00 0.00 N ATOM 392 CA PHE A 27 2.491 -4.105 -2.732 1.00 0.00 C ATOM 393 C PHE A 27 1.880 -4.184 -1.330 1.00 0.00 C ATOM 394 O PHE A 27 2.198 -3.333 -0.497 1.00 0.00 O ATOM 395 CB PHE A 27 4.027 -4.117 -2.672 1.00 0.00 C ATOM 396 CG PHE A 27 4.758 -4.180 -4.006 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.679 -3.111 -4.920 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.626 -5.256 -4.285 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.406 -3.147 -6.122 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.387 -5.265 -5.466 1.00 0.00 C ATOM 401 CZ PHE A 27 6.266 -4.221 -6.394 1.00 0.00 C ATOM 0 H PHE A 27 2.688 -2.094 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 27 2.207 -4.961 -3.344 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.355 -3.221 -2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.338 -4.972 -2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.056 -2.258 -4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.706 -6.077 -3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.302 -2.345 -6.838 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.068 -6.080 -5.660 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.832 -4.244 -7.313 1.00 0.00 H new ATOM 411 N TRP A 28 0.990 -5.154 -1.088 1.00 0.00 N ATOM 412 CA TRP A 28 0.255 -5.319 0.164 1.00 0.00 C ATOM 413 C TRP A 28 0.375 -6.740 0.722 1.00 0.00 C ATOM 414 O TRP A 28 0.845 -7.647 0.037 1.00 0.00 O ATOM 415 CB TRP A 28 -1.228 -4.986 -0.072 1.00 0.00 C ATOM 416 CG TRP A 28 -2.008 -5.941 -0.925 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.995 -5.979 -2.272 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.947 -6.980 -0.513 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.819 -6.988 -2.722 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.452 -7.625 -1.679 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.441 -7.427 0.730 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.392 -8.665 -1.619 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.377 -8.477 0.803 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.853 -9.094 -0.365 1.00 0.00 C ATOM 0 H TRP A 28 0.757 -5.865 -1.781 1.00 0.00 H new ATOM 0 HA TRP A 28 0.690 -4.640 0.897 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.720 -4.918 0.899 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.286 -3.998 -0.528 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.423 -5.317 -2.905 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.944 -7.232 -3.704 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.097 -6.957 1.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.755 -9.128 -2.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.732 -8.811 1.767 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.572 -9.897 -0.298 1.00 0.00 H new ATOM 435 N ALA A 29 -0.101 -6.926 1.959 1.00 0.00 N ATOM 436 CA ALA A 29 -0.161 -8.203 2.653 1.00 0.00 C ATOM 437 C ALA A 29 -1.407 -8.197 3.531 1.00 0.00 C ATOM 438 O ALA A 29 -1.629 -7.234 4.261 1.00 0.00 O ATOM 439 CB ALA A 29 1.070 -8.399 3.535 1.00 0.00 C ATOM 0 H ALA A 29 -0.467 -6.157 2.519 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.193 -9.014 1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.003 -9.360 4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.968 -8.377 2.917 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.119 -7.600 4.274 1.00 0.00 H new ATOM 445 N GLU A 30 -2.213 -9.257 3.470 1.00 0.00 N ATOM 446 CA GLU A 30 -3.452 -9.383 4.231 1.00 0.00 C ATOM 447 C GLU A 30 -3.273 -9.108 5.727 1.00 0.00 C ATOM 448 O GLU A 30 -4.148 -8.521 6.354 1.00 0.00 O ATOM 449 CB GLU A 30 -4.129 -10.739 3.951 1.00 0.00 C ATOM 450 CG GLU A 30 -3.327 -11.992 4.346 1.00 0.00 C ATOM 451 CD GLU A 30 -2.118 -12.302 3.462 1.00 0.00 C ATOM 452 OE1 GLU A 30 -2.074 -11.770 2.330 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.249 -13.059 3.941 1.00 0.00 O ATOM 0 H GLU A 30 -2.018 -10.065 2.879 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.124 -8.599 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.082 -10.762 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.353 -10.797 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.984 -11.874 5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.997 -12.852 4.331 1.00 0.00 H new ATOM 460 N TRP A 31 -2.146 -9.524 6.304 1.00 0.00 N ATOM 461 CA TRP A 31 -1.862 -9.314 7.717 1.00 0.00 C ATOM 462 C TRP A 31 -1.408 -7.879 8.013 1.00 0.00 C ATOM 463 O TRP A 31 -1.494 -7.428 9.154 1.00 0.00 O ATOM 464 CB TRP A 31 -0.815 -10.338 8.174 1.00 0.00 C ATOM 465 CG TRP A 31 0.428 -10.419 7.341 1.00 0.00 C ATOM 466 CD1 TRP A 31 0.655 -11.328 6.367 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.620 -9.574 7.381 1.00 0.00 C ATOM 468 NE1 TRP A 31 1.890 -11.104 5.800 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.531 -10.028 6.380 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.023 -8.465 8.156 1.00 0.00 C ATOM 471 CZ2 TRP A 31 3.770 -9.412 6.155 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.270 -7.847 7.948 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.146 -8.323 6.957 1.00 0.00 C ATOM 0 H TRP A 31 -1.406 -10.016 5.802 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.783 -9.460 8.281 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -0.528 -10.102 9.199 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.282 -11.323 8.192 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.029 -12.112 6.077 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.283 -11.665 5.044 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.363 -8.084 8.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.426 -9.770 5.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.556 -7.000 8.554 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.107 -7.852 6.813 1.00 0.00 H new ATOM 484 N CYS A 32 -0.926 -7.139 7.010 1.00 0.00 N ATOM 485 CA CYS A 32 -0.428 -5.786 7.215 1.00 0.00 C ATOM 486 C CYS A 32 -1.583 -4.791 7.295 1.00 0.00 C ATOM 487 O CYS A 32 -1.806 -4.024 6.359 1.00 0.00 O ATOM 488 CB CYS A 32 0.582 -5.421 6.128 1.00 0.00 C ATOM 489 SG CYS A 32 1.208 -3.750 6.433 1.00 0.00 S ATOM 0 H CYS A 32 -0.872 -7.462 6.044 1.00 0.00 H new ATOM 0 HA CYS A 32 0.095 -5.740 8.170 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.405 -6.136 6.125 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.112 -5.472 5.146 1.00 0.00 H new ATOM 0 HG CYS A 32 0.218 -2.907 6.422 1.00 0.00 H new ATOM 495 N GLY A 33 -2.290 -4.813 8.431 1.00 0.00 N ATOM 496 CA GLY A 33 -3.429 -3.972 8.808 1.00 0.00 C ATOM 497 C GLY A 33 -3.720 -2.788 7.875 1.00 0.00 C ATOM 498 O GLY A 33 -4.718 -2.839 7.159 1.00 0.00 O ATOM 0 H GLY A 33 -2.059 -5.476 9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.319 -4.599 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.255 -3.585 9.812 1.00 0.00 H new ATOM 502 N PRO A 34 -2.876 -1.736 7.867 1.00 0.00 N ATOM 503 CA PRO A 34 -3.023 -0.543 7.033 1.00 0.00 C ATOM 504 C PRO A 34 -3.477 -0.795 5.589 1.00 0.00 C ATOM 505 O PRO A 34 -4.205 0.016 5.018 1.00 0.00 O ATOM 506 CB PRO A 34 -1.659 0.146 7.078 1.00 0.00 C ATOM 507 CG PRO A 34 -1.173 -0.187 8.488 1.00 0.00 C ATOM 508 CD PRO A 34 -1.683 -1.614 8.693 1.00 0.00 C ATOM 0 HA PRO A 34 -3.832 0.071 7.429 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.984 -0.238 6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.741 1.221 6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.087 -0.130 8.566 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.582 0.499 9.230 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.929 -2.344 8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.914 -1.799 9.742 1.00 0.00 H new ATOM 516 N CYS A 35 -3.081 -1.925 4.999 1.00 0.00 N ATOM 517 CA CYS A 35 -3.487 -2.312 3.652 1.00 0.00 C ATOM 518 C CYS A 35 -5.012 -2.264 3.525 1.00 0.00 C ATOM 519 O CYS A 35 -5.547 -1.765 2.536 1.00 0.00 O ATOM 520 CB CYS A 35 -2.959 -3.708 3.300 1.00 0.00 C ATOM 521 SG CYS A 35 -1.152 -3.678 3.183 1.00 0.00 S ATOM 0 H CYS A 35 -2.464 -2.601 5.449 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.055 -1.602 2.946 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.270 -4.425 4.059 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.387 -4.039 2.354 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.643 -3.513 4.368 1.00 0.00 H new ATOM 527 N LYS A 36 -5.716 -2.744 4.555 1.00 0.00 N ATOM 528 CA LYS A 36 -7.171 -2.747 4.608 1.00 0.00 C ATOM 529 C LYS A 36 -7.726 -1.323 4.671 1.00 0.00 C ATOM 530 O LYS A 36 -8.824 -1.076 4.182 1.00 0.00 O ATOM 531 CB LYS A 36 -7.662 -3.539 5.824 1.00 0.00 C ATOM 532 CG LYS A 36 -7.101 -4.962 5.876 1.00 0.00 C ATOM 533 CD LYS A 36 -7.752 -5.723 7.040 1.00 0.00 C ATOM 534 CE LYS A 36 -7.056 -7.065 7.282 1.00 0.00 C ATOM 535 NZ LYS A 36 -5.728 -6.881 7.896 1.00 0.00 N ATOM 0 H LYS A 36 -5.279 -3.146 5.385 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.532 -3.222 3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.380 -3.009 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.751 -3.584 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.297 -5.477 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.019 -4.934 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.705 -5.118 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.807 -5.891 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.675 -7.686 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.951 -7.597 6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.075 -7.605 7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.364 -5.936 7.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.808 -6.972 8.929 1.00 0.00 H new ATOM 549 N MET A 37 -6.979 -0.388 5.268 1.00 0.00 N ATOM 550 CA MET A 37 -7.403 0.997 5.384 1.00 0.00 C ATOM 551 C MET A 37 -7.239 1.682 4.029 1.00 0.00 C ATOM 552 O MET A 37 -8.141 2.393 3.592 1.00 0.00 O ATOM 553 CB MET A 37 -6.638 1.731 6.495 1.00 0.00 C ATOM 554 CG MET A 37 -7.022 1.265 7.906 1.00 0.00 C ATOM 555 SD MET A 37 -6.533 -0.414 8.382 1.00 0.00 S ATOM 556 CE MET A 37 -7.135 -0.452 10.083 1.00 0.00 C ATOM 0 H MET A 37 -6.066 -0.577 5.681 1.00 0.00 H new ATOM 0 HA MET A 37 -8.454 1.028 5.670 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.568 1.582 6.349 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.826 2.801 6.410 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.585 1.961 8.623 1.00 0.00 H new ATOM 0 HG3 MET A 37 -8.105 1.343 8.005 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.913 -1.423 10.526 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.644 0.331 10.660 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.212 -0.287 10.091 1.00 0.00 H new ATOM 566 N ILE A 38 -6.104 1.473 3.351 1.00 0.00 N ATOM 567 CA ILE A 38 -5.907 2.092 2.044 1.00 0.00 C ATOM 568 C ILE A 38 -6.752 1.429 0.953 1.00 0.00 C ATOM 569 O ILE A 38 -7.145 2.113 0.016 1.00 0.00 O ATOM 570 CB ILE A 38 -4.431 2.235 1.649 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.731 0.884 1.477 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.692 3.112 2.668 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.439 1.007 0.669 1.00 0.00 C ATOM 0 H ILE A 38 -5.330 0.895 3.678 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.274 3.113 2.144 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.403 2.722 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.507 0.465 2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.405 0.187 0.979 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.646 3.206 2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.150 4.100 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.754 2.654 3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.976 0.025 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.666 1.401 -0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.753 1.683 1.180 1.00 0.00 H new ATOM 585 N ALA A 39 -7.038 0.122 1.043 1.00 0.00 N ATOM 586 CA ALA A 39 -7.844 -0.601 0.057 1.00 0.00 C ATOM 587 C ALA A 39 -9.051 0.201 -0.481 1.00 0.00 C ATOM 588 O ALA A 39 -9.092 0.465 -1.684 1.00 0.00 O ATOM 589 CB ALA A 39 -8.235 -1.984 0.593 1.00 0.00 C ATOM 0 H ALA A 39 -6.712 -0.465 1.810 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.213 -0.745 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.834 -2.507 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.334 -2.560 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.815 -1.869 1.508 1.00 0.00 H new ATOM 595 N PRO A 40 -10.022 0.621 0.351 1.00 0.00 N ATOM 596 CA PRO A 40 -11.155 1.410 -0.109 1.00 0.00 C ATOM 597 C PRO A 40 -10.709 2.714 -0.778 1.00 0.00 C ATOM 598 O PRO A 40 -11.304 3.125 -1.770 1.00 0.00 O ATOM 599 CB PRO A 40 -12.035 1.665 1.117 1.00 0.00 C ATOM 600 CG PRO A 40 -11.076 1.490 2.288 1.00 0.00 C ATOM 601 CD PRO A 40 -10.124 0.408 1.784 1.00 0.00 C ATOM 0 HA PRO A 40 -11.713 0.874 -0.876 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.468 2.665 1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.864 0.960 1.169 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.550 2.415 2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.596 1.181 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.148 0.489 2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.508 -0.588 2.007 1.00 0.00 H new ATOM 609 N ILE A 41 -9.647 3.354 -0.273 1.00 0.00 N ATOM 610 CA ILE A 41 -9.124 4.570 -0.881 1.00 0.00 C ATOM 611 C ILE A 41 -8.688 4.232 -2.309 1.00 0.00 C ATOM 612 O ILE A 41 -9.113 4.881 -3.258 1.00 0.00 O ATOM 613 CB ILE A 41 -7.975 5.192 -0.064 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.315 5.277 1.435 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.679 6.596 -0.612 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.170 5.880 2.251 1.00 0.00 C ATOM 0 H ILE A 41 -9.138 3.045 0.555 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.906 5.329 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.099 4.551 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.212 5.881 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.542 4.280 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.867 7.046 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.389 6.524 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.571 7.216 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.454 5.920 3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.279 5.262 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.960 6.888 1.893 1.00 0.00 H new ATOM 628 N LEU A 42 -7.870 3.189 -2.468 1.00 0.00 N ATOM 629 CA LEU A 42 -7.414 2.726 -3.769 1.00 0.00 C ATOM 630 C LEU A 42 -8.616 2.406 -4.666 1.00 0.00 C ATOM 631 O LEU A 42 -8.602 2.762 -5.839 1.00 0.00 O ATOM 632 CB LEU A 42 -6.449 1.540 -3.613 1.00 0.00 C ATOM 633 CG LEU A 42 -5.079 1.934 -3.037 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.332 0.654 -2.651 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.221 2.707 -4.046 1.00 0.00 C ATOM 0 H LEU A 42 -7.506 2.642 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.852 3.519 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.906 0.793 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.304 1.070 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.251 2.582 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.356 0.912 -2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.908 0.108 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.200 0.030 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.264 2.962 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.050 2.089 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.738 3.621 -4.339 1.00 0.00 H new ATOM 647 N ASP A 43 -9.668 1.773 -4.134 1.00 0.00 N ATOM 648 CA ASP A 43 -10.873 1.498 -4.918 1.00 0.00 C ATOM 649 C ASP A 43 -11.498 2.814 -5.404 1.00 0.00 C ATOM 650 O ASP A 43 -11.816 2.955 -6.585 1.00 0.00 O ATOM 651 CB ASP A 43 -11.888 0.668 -4.121 1.00 0.00 C ATOM 652 CG ASP A 43 -11.391 -0.737 -3.796 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.999 -1.441 -4.752 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.436 -1.099 -2.600 1.00 0.00 O ATOM 0 H ASP A 43 -9.708 1.444 -3.169 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.585 0.906 -5.786 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.123 1.187 -3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.815 0.596 -4.689 1.00 0.00 H new ATOM 659 N GLU A 44 -11.657 3.794 -4.506 1.00 0.00 N ATOM 660 CA GLU A 44 -12.200 5.100 -4.868 1.00 0.00 C ATOM 661 C GLU A 44 -11.349 5.716 -5.977 1.00 0.00 C ATOM 662 O GLU A 44 -11.873 6.103 -7.019 1.00 0.00 O ATOM 663 CB GLU A 44 -12.266 6.027 -3.648 1.00 0.00 C ATOM 664 CG GLU A 44 -13.357 5.616 -2.652 1.00 0.00 C ATOM 665 CD GLU A 44 -14.747 5.970 -3.167 1.00 0.00 C ATOM 666 OE1 GLU A 44 -15.051 7.183 -3.169 1.00 0.00 O ATOM 667 OE2 GLU A 44 -15.474 5.030 -3.556 1.00 0.00 O ATOM 0 H GLU A 44 -11.415 3.702 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.219 4.970 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.300 6.026 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.450 7.048 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.298 4.543 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.185 6.112 -1.697 1.00 0.00 H new ATOM 674 N ILE A 45 -10.031 5.774 -5.770 1.00 0.00 N ATOM 675 CA ILE A 45 -9.090 6.288 -6.753 1.00 0.00 C ATOM 676 C ILE A 45 -9.288 5.554 -8.083 1.00 0.00 C ATOM 677 O ILE A 45 -9.347 6.189 -9.131 1.00 0.00 O ATOM 678 CB ILE A 45 -7.649 6.155 -6.226 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.372 7.034 -4.989 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.601 6.425 -7.311 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.400 8.547 -5.222 1.00 0.00 C ATOM 0 H ILE A 45 -9.589 5.461 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.274 7.348 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.559 5.114 -5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.108 6.791 -4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.394 6.766 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.603 6.318 -6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.728 5.711 -8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.726 7.438 -7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.192 9.063 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.644 8.816 -5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.384 8.841 -5.588 1.00 0.00 H new ATOM 693 N ALA A 46 -9.399 4.224 -8.056 1.00 0.00 N ATOM 694 CA ALA A 46 -9.594 3.422 -9.254 1.00 0.00 C ATOM 695 C ALA A 46 -10.824 3.884 -10.035 1.00 0.00 C ATOM 696 O ALA A 46 -10.794 3.894 -11.261 1.00 0.00 O ATOM 697 CB ALA A 46 -9.664 1.934 -8.901 1.00 0.00 C ATOM 0 H ALA A 46 -9.355 3.676 -7.197 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.733 3.564 -9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.810 1.351 -9.810 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.734 1.630 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.498 1.760 -8.221 1.00 0.00 H new ATOM 703 N ASP A 47 -11.888 4.293 -9.340 1.00 0.00 N ATOM 704 CA ASP A 47 -13.079 4.828 -9.987 1.00 0.00 C ATOM 705 C ASP A 47 -12.806 6.249 -10.495 1.00 0.00 C ATOM 706 O ASP A 47 -12.937 6.531 -11.684 1.00 0.00 O ATOM 707 CB ASP A 47 -14.267 4.798 -9.016 1.00 0.00 C ATOM 708 CG ASP A 47 -15.495 5.459 -9.633 1.00 0.00 C ATOM 709 OD1 ASP A 47 -16.198 4.759 -10.392 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.704 6.656 -9.337 1.00 0.00 O ATOM 0 H ASP A 47 -11.945 4.262 -8.322 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.334 4.206 -10.845 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.499 3.766 -8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.999 5.311 -8.092 1.00 0.00 H new ATOM 715 N GLU A 48 -12.423 7.149 -9.585 1.00 0.00 N ATOM 716 CA GLU A 48 -12.161 8.558 -9.867 1.00 0.00 C ATOM 717 C GLU A 48 -11.213 8.753 -11.058 1.00 0.00 C ATOM 718 O GLU A 48 -11.424 9.641 -11.883 1.00 0.00 O ATOM 719 CB GLU A 48 -11.592 9.224 -8.610 1.00 0.00 C ATOM 720 CG GLU A 48 -12.616 9.309 -7.470 1.00 0.00 C ATOM 721 CD GLU A 48 -11.949 9.768 -6.178 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.214 8.944 -5.593 1.00 0.00 O ATOM 723 OE2 GLU A 48 -12.172 10.939 -5.798 1.00 0.00 O ATOM 0 H GLU A 48 -12.283 6.908 -8.604 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.105 9.028 -10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.721 8.664 -8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.248 10.228 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.412 10.003 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.081 8.335 -7.319 1.00 0.00 H new ATOM 730 N TYR A 49 -10.163 7.934 -11.132 1.00 0.00 N ATOM 731 CA TYR A 49 -9.152 7.978 -12.177 1.00 0.00 C ATOM 732 C TYR A 49 -9.306 6.795 -13.142 1.00 0.00 C ATOM 733 O TYR A 49 -8.330 6.392 -13.777 1.00 0.00 O ATOM 734 CB TYR A 49 -7.752 8.009 -11.544 1.00 0.00 C ATOM 735 CG TYR A 49 -7.431 9.224 -10.691 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.917 9.307 -9.375 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.529 10.201 -11.155 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.514 10.352 -8.533 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.081 11.219 -10.292 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.569 11.290 -8.977 1.00 0.00 C ATOM 741 OH TYR A 49 -6.130 12.256 -8.120 1.00 0.00 O ATOM 0 H TYR A 49 -9.992 7.201 -10.443 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.287 8.888 -12.761 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.634 7.117 -10.929 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.013 7.946 -12.343 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.606 8.560 -9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.180 10.169 -12.176 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.931 10.436 -7.540 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.362 11.945 -10.641 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.477 12.827 -8.577 1.00 0.00 H new ATOM 751 N GLN A 50 -10.510 6.227 -13.274 1.00 0.00 N ATOM 752 CA GLN A 50 -10.735 5.096 -14.164 1.00 0.00 C ATOM 753 C GLN A 50 -10.322 5.452 -15.593 1.00 0.00 C ATOM 754 O GLN A 50 -10.813 6.426 -16.158 1.00 0.00 O ATOM 755 CB GLN A 50 -12.205 4.664 -14.091 1.00 0.00 C ATOM 756 CG GLN A 50 -12.488 3.397 -14.908 1.00 0.00 C ATOM 757 CD GLN A 50 -13.842 2.782 -14.563 1.00 0.00 C ATOM 758 OE1 GLN A 50 -13.968 1.567 -14.460 1.00 0.00 O ATOM 759 NE2 GLN A 50 -14.870 3.605 -14.366 1.00 0.00 N ATOM 0 H GLN A 50 -11.342 6.537 -12.772 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.118 4.256 -13.845 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -12.477 4.489 -13.050 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.837 5.475 -14.454 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.460 3.638 -15.971 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.701 2.665 -14.726 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.741 4.613 -14.457 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.786 3.228 -14.124 1.00 0.00 H new ATOM 768 N GLY A 51 -9.388 4.685 -16.165 1.00 0.00 N ATOM 769 CA GLY A 51 -8.876 4.919 -17.508 1.00 0.00 C ATOM 770 C GLY A 51 -7.786 5.994 -17.550 1.00 0.00 C ATOM 771 O GLY A 51 -7.131 6.153 -18.577 1.00 0.00 O ATOM 0 H GLY A 51 -8.967 3.880 -15.701 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.476 3.987 -17.907 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.698 5.217 -18.158 1.00 0.00 H new ATOM 775 N LYS A 52 -7.573 6.718 -16.448 1.00 0.00 N ATOM 776 CA LYS A 52 -6.565 7.762 -16.324 1.00 0.00 C ATOM 777 C LYS A 52 -5.348 7.184 -15.598 1.00 0.00 C ATOM 778 O LYS A 52 -4.211 7.459 -15.972 1.00 0.00 O ATOM 779 CB LYS A 52 -7.139 8.968 -15.558 1.00 0.00 C ATOM 780 CG LYS A 52 -8.552 9.356 -16.013 1.00 0.00 C ATOM 781 CD LYS A 52 -9.069 10.557 -15.208 1.00 0.00 C ATOM 782 CE LYS A 52 -10.604 10.615 -15.251 1.00 0.00 C ATOM 783 NZ LYS A 52 -11.142 11.500 -14.204 1.00 0.00 N ATOM 0 H LYS A 52 -8.116 6.586 -15.595 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.264 8.109 -17.313 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.158 8.738 -14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.475 9.822 -15.688 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.543 9.600 -17.075 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.226 8.509 -15.886 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.731 10.482 -14.174 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.653 11.480 -15.613 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.928 10.969 -16.230 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.010 9.612 -15.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.052 11.895 -14.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.283 10.956 -13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.472 12.275 -14.026 1.00 0.00 H new ATOM 797 N LEU A 53 -5.597 6.379 -14.556 1.00 0.00 N ATOM 798 CA LEU A 53 -4.575 5.730 -13.753 1.00 0.00 C ATOM 799 C LEU A 53 -4.935 4.257 -13.601 1.00 0.00 C ATOM 800 O LEU A 53 -6.072 3.930 -13.265 1.00 0.00 O ATOM 801 CB LEU A 53 -4.535 6.385 -12.368 1.00 0.00 C ATOM 802 CG LEU A 53 -3.548 5.733 -11.391 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.090 5.970 -11.799 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.806 6.312 -10.001 1.00 0.00 C ATOM 0 H LEU A 53 -6.544 6.161 -14.247 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.601 5.829 -14.233 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.273 7.437 -12.484 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.534 6.351 -11.934 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.705 4.654 -11.399 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.428 5.490 -11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.916 5.548 -12.789 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.888 7.041 -11.821 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.116 5.864 -9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.656 7.391 -10.023 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.831 6.094 -9.701 1.00 0.00 H new ATOM 816 N THR A 54 -3.962 3.372 -13.803 1.00 0.00 N ATOM 817 CA THR A 54 -4.166 1.947 -13.620 1.00 0.00 C ATOM 818 C THR A 54 -3.874 1.635 -12.150 1.00 0.00 C ATOM 819 O THR A 54 -2.715 1.495 -11.760 1.00 0.00 O ATOM 820 CB THR A 54 -3.250 1.173 -14.577 1.00 0.00 C ATOM 821 OG1 THR A 54 -3.157 1.831 -15.825 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.697 -0.273 -14.780 1.00 0.00 C ATOM 0 H THR A 54 -3.018 3.625 -14.096 1.00 0.00 H new ATOM 0 HA THR A 54 -5.188 1.646 -13.852 1.00 0.00 H new ATOM 0 HB THR A 54 -2.266 1.146 -14.109 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.563 2.606 -15.743 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.013 -0.772 -15.466 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.694 -0.793 -13.822 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.704 -0.287 -15.197 1.00 0.00 H new ATOM 830 N VAL A 55 -4.903 1.532 -11.308 1.00 0.00 N ATOM 831 CA VAL A 55 -4.677 1.199 -9.910 1.00 0.00 C ATOM 832 C VAL A 55 -4.454 -0.310 -9.854 1.00 0.00 C ATOM 833 O VAL A 55 -5.231 -1.081 -10.418 1.00 0.00 O ATOM 834 CB VAL A 55 -5.852 1.646 -9.030 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.605 1.267 -7.566 1.00 0.00 C ATOM 836 CG2 VAL A 55 -6.011 3.169 -9.093 1.00 0.00 C ATOM 0 H VAL A 55 -5.880 1.672 -11.566 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.807 1.725 -9.516 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.749 1.150 -9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.449 1.593 -6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.494 0.186 -7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.695 1.753 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.848 3.474 -8.465 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.098 3.645 -8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.201 3.473 -10.122 1.00 0.00 H new ATOM 846 N ALA A 56 -3.371 -0.736 -9.208 1.00 0.00 N ATOM 847 CA ALA A 56 -3.000 -2.135 -9.128 1.00 0.00 C ATOM 848 C ALA A 56 -2.602 -2.505 -7.705 1.00 0.00 C ATOM 849 O ALA A 56 -2.095 -1.677 -6.947 1.00 0.00 O ATOM 850 CB ALA A 56 -1.877 -2.417 -10.127 1.00 0.00 C ATOM 0 H ALA A 56 -2.726 -0.111 -8.724 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.856 -2.757 -9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.595 -3.468 -10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.221 -2.188 -11.136 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.013 -1.796 -9.888 1.00 0.00 H new ATOM 856 N LYS A 57 -2.826 -3.768 -7.352 1.00 0.00 N ATOM 857 CA LYS A 57 -2.499 -4.340 -6.062 1.00 0.00 C ATOM 858 C LYS A 57 -1.676 -5.597 -6.311 1.00 0.00 C ATOM 859 O LYS A 57 -1.927 -6.318 -7.272 1.00 0.00 O ATOM 860 CB LYS A 57 -3.784 -4.679 -5.290 1.00 0.00 C ATOM 861 CG LYS A 57 -4.263 -3.507 -4.425 1.00 0.00 C ATOM 862 CD LYS A 57 -5.520 -3.903 -3.635 1.00 0.00 C ATOM 863 CE LYS A 57 -5.938 -2.820 -2.634 1.00 0.00 C ATOM 864 NZ LYS A 57 -4.987 -2.706 -1.512 1.00 0.00 N ATOM 0 H LYS A 57 -3.257 -4.441 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.931 -3.630 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.569 -4.953 -5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.607 -5.548 -4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.472 -3.208 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.479 -2.645 -5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.340 -4.090 -4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.334 -4.836 -3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.010 -1.861 -3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.930 -3.049 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.366 -2.049 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.847 -3.641 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.076 -2.347 -1.864 1.00 0.00 H new ATOM 878 N LEU A 58 -0.693 -5.861 -5.452 1.00 0.00 N ATOM 879 CA LEU A 58 0.155 -7.033 -5.536 1.00 0.00 C ATOM 880 C LEU A 58 0.268 -7.636 -4.141 1.00 0.00 C ATOM 881 O LEU A 58 0.800 -7.003 -3.232 1.00 0.00 O ATOM 882 CB LEU A 58 1.500 -6.637 -6.148 1.00 0.00 C ATOM 883 CG LEU A 58 2.375 -7.876 -6.406 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.243 -7.616 -7.632 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.291 -8.214 -5.224 1.00 0.00 C ATOM 0 H LEU A 58 -0.465 -5.251 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.264 -7.798 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.335 -6.103 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.021 -5.953 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 58 1.705 -8.722 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.869 -8.487 -7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.605 -7.427 -8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.876 -6.747 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.884 -9.097 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.956 -7.373 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.686 -8.413 -4.340 1.00 0.00 H new ATOM 897 N ASN A 59 -0.251 -8.854 -3.957 1.00 0.00 N ATOM 898 CA ASN A 59 -0.194 -9.529 -2.668 1.00 0.00 C ATOM 899 C ASN A 59 1.187 -10.164 -2.505 1.00 0.00 C ATOM 900 O ASN A 59 1.484 -11.184 -3.133 1.00 0.00 O ATOM 901 CB ASN A 59 -1.300 -10.574 -2.550 1.00 0.00 C ATOM 902 CG ASN A 59 -1.261 -11.204 -1.163 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.624 -12.232 -0.962 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.924 -10.602 -0.185 1.00 0.00 N ATOM 0 H ASN A 59 -0.716 -9.389 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.353 -8.804 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.272 -10.111 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.172 -11.342 -3.313 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.910 -10.994 0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.448 -9.747 -0.374 1.00 0.00 H new ATOM 911 N ILE A 60 2.037 -9.558 -1.675 1.00 0.00 N ATOM 912 CA ILE A 60 3.400 -10.026 -1.466 1.00 0.00 C ATOM 913 C ILE A 60 3.441 -11.462 -0.948 1.00 0.00 C ATOM 914 O ILE A 60 4.351 -12.205 -1.293 1.00 0.00 O ATOM 915 CB ILE A 60 4.198 -9.057 -0.573 1.00 0.00 C ATOM 916 CG1 ILE A 60 3.674 -8.993 0.873 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.213 -7.656 -1.197 1.00 0.00 C ATOM 918 CD1 ILE A 60 4.487 -9.873 1.829 1.00 0.00 C ATOM 0 H ILE A 60 1.796 -8.730 -1.131 1.00 0.00 H new ATOM 0 HA ILE A 60 3.891 -10.039 -2.439 1.00 0.00 H new ATOM 0 HB ILE A 60 5.214 -9.447 -0.517 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.702 -7.961 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.631 -9.308 0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.780 -6.979 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.679 -7.701 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.191 -7.291 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.077 -9.792 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.438 -10.911 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.526 -9.543 1.833 1.00 0.00 H new ATOM 930 N ASP A 61 2.468 -11.878 -0.133 1.00 0.00 N ATOM 931 CA ASP A 61 2.456 -13.237 0.394 1.00 0.00 C ATOM 932 C ASP A 61 2.320 -14.246 -0.748 1.00 0.00 C ATOM 933 O ASP A 61 3.037 -15.241 -0.782 1.00 0.00 O ATOM 934 CB ASP A 61 1.366 -13.416 1.453 1.00 0.00 C ATOM 935 CG ASP A 61 1.504 -12.397 2.573 1.00 0.00 C ATOM 936 OD1 ASP A 61 0.910 -11.309 2.411 1.00 0.00 O ATOM 937 OD2 ASP A 61 2.216 -12.700 3.554 1.00 0.00 O ATOM 0 H ASP A 61 1.687 -11.297 0.172 1.00 0.00 H new ATOM 0 HA ASP A 61 3.407 -13.424 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.385 -13.316 0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.421 -14.423 1.867 1.00 0.00 H new ATOM 942 N GLN A 62 1.419 -13.978 -1.698 1.00 0.00 N ATOM 943 CA GLN A 62 1.240 -14.839 -2.857 1.00 0.00 C ATOM 944 C GLN A 62 2.430 -14.691 -3.805 1.00 0.00 C ATOM 945 O GLN A 62 2.774 -15.640 -4.506 1.00 0.00 O ATOM 946 CB GLN A 62 -0.061 -14.517 -3.617 1.00 0.00 C ATOM 947 CG GLN A 62 -1.392 -14.699 -2.865 1.00 0.00 C ATOM 948 CD GLN A 62 -1.315 -15.582 -1.624 1.00 0.00 C ATOM 949 OE1 GLN A 62 -1.403 -16.802 -1.711 1.00 0.00 O ATOM 950 NE2 GLN A 62 -1.168 -14.968 -0.455 1.00 0.00 N ATOM 0 H GLN A 62 0.802 -13.166 -1.681 1.00 0.00 H new ATOM 0 HA GLN A 62 1.175 -15.865 -2.495 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.005 -13.482 -3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.092 -15.142 -4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.763 -13.717 -2.572 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.124 -15.125 -3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.098 -13.951 -0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.125 -15.514 0.406 1.00 0.00 H new ATOM 959 N ASN A 63 3.044 -13.500 -3.861 1.00 0.00 N ATOM 960 CA ASN A 63 4.150 -13.211 -4.773 1.00 0.00 C ATOM 961 C ASN A 63 5.370 -12.607 -4.059 1.00 0.00 C ATOM 962 O ASN A 63 5.674 -11.429 -4.275 1.00 0.00 O ATOM 963 CB ASN A 63 3.627 -12.266 -5.862 1.00 0.00 C ATOM 964 CG ASN A 63 2.590 -12.948 -6.741 1.00 0.00 C ATOM 965 OD1 ASN A 63 2.933 -13.560 -7.747 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.312 -12.815 -6.407 1.00 0.00 N ATOM 0 H ASN A 63 2.783 -12.710 -3.271 1.00 0.00 H new ATOM 0 HA ASN A 63 4.500 -14.147 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.188 -11.383 -5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.459 -11.923 -6.478 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.586 -13.227 -6.993 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.056 -12.300 -5.564 1.00 0.00 H new ATOM 973 N PRO A 64 6.092 -13.389 -3.233 1.00 0.00 N ATOM 974 CA PRO A 64 7.244 -12.914 -2.480 1.00 0.00 C ATOM 975 C PRO A 64 8.327 -12.292 -3.357 1.00 0.00 C ATOM 976 O PRO A 64 8.788 -11.192 -3.068 1.00 0.00 O ATOM 977 CB PRO A 64 7.784 -14.127 -1.710 1.00 0.00 C ATOM 978 CG PRO A 64 6.563 -15.033 -1.589 1.00 0.00 C ATOM 979 CD PRO A 64 5.833 -14.784 -2.905 1.00 0.00 C ATOM 0 HA PRO A 64 6.938 -12.110 -1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.597 -14.616 -2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.173 -13.843 -0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.845 -16.080 -1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.948 -14.771 -0.728 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.200 -15.447 -3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.764 -14.972 -2.803 1.00 0.00 H new ATOM 987 N GLY A 65 8.742 -13.008 -4.409 1.00 0.00 N ATOM 988 CA GLY A 65 9.808 -12.621 -5.329 1.00 0.00 C ATOM 989 C GLY A 65 9.797 -11.144 -5.720 1.00 0.00 C ATOM 990 O GLY A 65 10.850 -10.516 -5.819 1.00 0.00 O ATOM 0 H GLY A 65 8.325 -13.908 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.769 -12.857 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.728 -13.225 -6.233 1.00 0.00 H new ATOM 994 N THR A 66 8.616 -10.573 -5.949 1.00 0.00 N ATOM 995 CA THR A 66 8.470 -9.183 -6.333 1.00 0.00 C ATOM 996 C THR A 66 9.039 -8.206 -5.291 1.00 0.00 C ATOM 997 O THR A 66 9.508 -7.128 -5.652 1.00 0.00 O ATOM 998 CB THR A 66 6.995 -8.900 -6.669 1.00 0.00 C ATOM 999 OG1 THR A 66 6.231 -10.097 -6.663 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.917 -8.250 -8.055 1.00 0.00 C ATOM 0 H THR A 66 7.730 -11.072 -5.871 1.00 0.00 H new ATOM 0 HA THR A 66 9.071 -9.011 -7.226 1.00 0.00 H new ATOM 0 HB THR A 66 6.585 -8.231 -5.912 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.003 -10.335 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.875 -8.045 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.479 -7.316 -8.051 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.341 -8.926 -8.798 1.00 0.00 H new ATOM 1008 N ALA A 67 9.011 -8.565 -4.002 1.00 0.00 N ATOM 1009 CA ALA A 67 9.516 -7.708 -2.935 1.00 0.00 C ATOM 1010 C ALA A 67 10.983 -7.303 -3.157 1.00 0.00 C ATOM 1011 O ALA A 67 11.236 -6.115 -3.354 1.00 0.00 O ATOM 1012 CB ALA A 67 9.231 -8.316 -1.557 1.00 0.00 C ATOM 0 H ALA A 67 8.638 -9.456 -3.675 1.00 0.00 H new ATOM 0 HA ALA A 67 8.966 -6.768 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.618 -7.656 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.155 -8.436 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.716 -9.289 -1.481 1.00 0.00 H new ATOM 1018 N PRO A 68 11.960 -8.231 -3.148 1.00 0.00 N ATOM 1019 CA PRO A 68 13.350 -7.884 -3.399 1.00 0.00 C ATOM 1020 C PRO A 68 13.531 -7.259 -4.784 1.00 0.00 C ATOM 1021 O PRO A 68 14.322 -6.325 -4.908 1.00 0.00 O ATOM 1022 CB PRO A 68 14.158 -9.176 -3.231 1.00 0.00 C ATOM 1023 CG PRO A 68 13.129 -10.275 -3.474 1.00 0.00 C ATOM 1024 CD PRO A 68 11.848 -9.660 -2.909 1.00 0.00 C ATOM 0 HA PRO A 68 13.699 -7.126 -2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 68 14.980 -9.231 -3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.595 -9.249 -2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.032 -10.513 -4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.395 -11.200 -2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.966 -10.071 -3.400 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.748 -9.872 -1.845 1.00 0.00 H new ATOM 1032 N LYS A 69 12.806 -7.721 -5.815 1.00 0.00 N ATOM 1033 CA LYS A 69 12.923 -7.143 -7.156 1.00 0.00 C ATOM 1034 C LYS A 69 12.745 -5.621 -7.137 1.00 0.00 C ATOM 1035 O LYS A 69 13.431 -4.923 -7.880 1.00 0.00 O ATOM 1036 CB LYS A 69 11.933 -7.782 -8.139 1.00 0.00 C ATOM 1037 CG LYS A 69 12.317 -9.222 -8.496 1.00 0.00 C ATOM 1038 CD LYS A 69 11.310 -9.794 -9.505 1.00 0.00 C ATOM 1039 CE LYS A 69 11.604 -11.260 -9.837 1.00 0.00 C ATOM 1040 NZ LYS A 69 11.327 -12.145 -8.691 1.00 0.00 N ATOM 0 H LYS A 69 12.138 -8.488 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 69 13.934 -7.362 -7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.934 -7.772 -7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.890 -7.183 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.322 -9.246 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.334 -9.837 -7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.302 -9.709 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.337 -9.202 -10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.999 -11.568 -10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.648 -11.364 -10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.601 -13.119 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.872 -11.825 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.312 -12.116 -8.468 1.00 0.00 H new ATOM 1054 N TYR A 70 11.844 -5.106 -6.292 1.00 0.00 N ATOM 1055 CA TYR A 70 11.618 -3.670 -6.151 1.00 0.00 C ATOM 1056 C TYR A 70 12.091 -3.174 -4.782 1.00 0.00 C ATOM 1057 O TYR A 70 11.674 -2.111 -4.325 1.00 0.00 O ATOM 1058 CB TYR A 70 10.150 -3.357 -6.463 1.00 0.00 C ATOM 1059 CG TYR A 70 9.849 -3.548 -7.934 1.00 0.00 C ATOM 1060 CD1 TYR A 70 10.238 -2.550 -8.849 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.528 -4.833 -8.405 1.00 0.00 C ATOM 1062 CE1 TYR A 70 10.420 -2.869 -10.206 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.730 -5.159 -9.756 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.240 -4.195 -10.638 1.00 0.00 C ATOM 1065 OH TYR A 70 10.567 -4.555 -11.909 1.00 0.00 O ATOM 0 H TYR A 70 11.253 -5.677 -5.688 1.00 0.00 H new ATOM 0 HA TYR A 70 12.218 -3.117 -6.873 1.00 0.00 H new ATOM 0 HB2 TYR A 70 9.504 -4.004 -5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 70 9.925 -2.330 -6.174 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.397 -1.538 -8.507 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.125 -5.571 -7.727 1.00 0.00 H new ATOM 0 HE1 TYR A 70 10.696 -2.100 -10.912 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.493 -6.150 -10.115 1.00 0.00 H new ATOM 0 HH TYR A 70 10.379 -5.508 -12.038 1.00 0.00 H new ATOM 1075 N GLY A 71 12.981 -3.937 -4.136 1.00 0.00 N ATOM 1076 CA GLY A 71 13.567 -3.638 -2.842 1.00 0.00 C ATOM 1077 C GLY A 71 12.553 -3.088 -1.844 1.00 0.00 C ATOM 1078 O GLY A 71 12.843 -2.100 -1.176 1.00 0.00 O ATOM 0 H GLY A 71 13.321 -4.816 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.016 -4.544 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.371 -2.914 -2.972 1.00 0.00 H new ATOM 1082 N ILE A 72 11.367 -3.704 -1.758 1.00 0.00 N ATOM 1083 CA ILE A 72 10.307 -3.276 -0.843 1.00 0.00 C ATOM 1084 C ILE A 72 10.873 -3.052 0.563 1.00 0.00 C ATOM 1085 O ILE A 72 11.372 -3.978 1.198 1.00 0.00 O ATOM 1086 CB ILE A 72 9.122 -4.266 -0.889 1.00 0.00 C ATOM 1087 CG1 ILE A 72 8.089 -3.861 -1.955 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.355 -4.368 0.440 1.00 0.00 C ATOM 1089 CD1 ILE A 72 8.670 -3.654 -3.354 1.00 0.00 C ATOM 0 H ILE A 72 11.117 -4.515 -2.324 1.00 0.00 H new ATOM 0 HA ILE A 72 9.908 -2.314 -1.165 1.00 0.00 H new ATOM 0 HB ILE A 72 9.584 -5.226 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.318 -4.629 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.601 -2.939 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.537 -5.081 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.031 -4.706 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.952 -3.390 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.872 -3.371 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.420 -2.864 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.132 -4.580 -3.697 1.00 0.00 H new ATOM 1101 N ARG A 73 10.804 -1.801 1.026 1.00 0.00 N ATOM 1102 CA ARG A 73 11.323 -1.379 2.311 1.00 0.00 C ATOM 1103 C ARG A 73 10.351 -1.760 3.426 1.00 0.00 C ATOM 1104 O ARG A 73 10.746 -2.341 4.433 1.00 0.00 O ATOM 1105 CB ARG A 73 11.539 0.137 2.284 1.00 0.00 C ATOM 1106 CG ARG A 73 12.635 0.579 1.301 1.00 0.00 C ATOM 1107 CD ARG A 73 12.102 1.300 0.055 1.00 0.00 C ATOM 1108 NE ARG A 73 11.583 0.367 -0.958 1.00 0.00 N ATOM 1109 CZ ARG A 73 10.615 0.625 -1.852 1.00 0.00 C ATOM 1110 NH1 ARG A 73 9.863 1.721 -1.745 1.00 0.00 N ATOM 1111 NH2 ARG A 73 10.398 -0.212 -2.870 1.00 0.00 N ATOM 0 H ARG A 73 10.373 -1.042 0.498 1.00 0.00 H new ATOM 0 HA ARG A 73 12.272 -1.878 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.602 0.625 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.801 0.477 3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 73 13.330 1.239 1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 73 13.202 -0.297 0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.310 1.989 0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.900 1.900 -0.383 1.00 0.00 H new ATOM 0 HE ARG A 73 11.998 -0.564 -0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.020 2.374 -0.978 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.131 1.906 -2.431 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.969 -1.051 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.661 -0.012 -3.547 1.00 0.00 H new ATOM 1125 N GLY A 74 9.075 -1.420 3.246 1.00 0.00 N ATOM 1126 CA GLY A 74 8.017 -1.707 4.196 1.00 0.00 C ATOM 1127 C GLY A 74 6.695 -1.583 3.456 1.00 0.00 C ATOM 1128 O GLY A 74 6.569 -0.743 2.565 1.00 0.00 O ATOM 0 H GLY A 74 8.748 -0.927 2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.133 -2.709 4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.054 -1.011 5.034 1.00 0.00 H new ATOM 1132 N ILE A 75 5.727 -2.432 3.799 1.00 0.00 N ATOM 1133 CA ILE A 75 4.416 -2.464 3.168 1.00 0.00 C ATOM 1134 C ILE A 75 3.405 -1.663 4.002 1.00 0.00 C ATOM 1135 O ILE A 75 3.565 -1.587 5.221 1.00 0.00 O ATOM 1136 CB ILE A 75 3.971 -3.921 2.938 1.00 0.00 C ATOM 1137 CG1 ILE A 75 4.130 -4.780 4.203 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.763 -4.534 1.774 1.00 0.00 C ATOM 1139 CD1 ILE A 75 3.412 -6.116 4.043 1.00 0.00 C ATOM 0 H ILE A 75 5.838 -3.128 4.537 1.00 0.00 H new ATOM 0 HA ILE A 75 4.471 -1.988 2.189 1.00 0.00 H new ATOM 0 HB ILE A 75 2.910 -3.907 2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.188 -4.952 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.727 -4.246 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.442 -5.564 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.583 -3.957 0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.827 -4.517 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.538 -6.708 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.350 -5.940 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.834 -6.657 3.196 1.00 0.00 H new ATOM 1151 N PRO A 76 2.366 -1.066 3.392 1.00 0.00 N ATOM 1152 CA PRO A 76 2.079 -1.059 1.964 1.00 0.00 C ATOM 1153 C PRO A 76 3.100 -0.197 1.213 1.00 0.00 C ATOM 1154 O PRO A 76 3.454 0.882 1.687 1.00 0.00 O ATOM 1155 CB PRO A 76 0.669 -0.477 1.834 1.00 0.00 C ATOM 1156 CG PRO A 76 0.540 0.425 3.060 1.00 0.00 C ATOM 1157 CD PRO A 76 1.355 -0.317 4.119 1.00 0.00 C ATOM 0 HA PRO A 76 2.141 -2.058 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.551 0.086 0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.089 -1.260 1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.937 1.422 2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.500 0.548 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.814 0.381 4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.721 -0.983 4.704 1.00 0.00 H new ATOM 1165 N THR A 77 3.581 -0.674 0.061 1.00 0.00 N ATOM 1166 CA THR A 77 4.555 0.049 -0.755 1.00 0.00 C ATOM 1167 C THR A 77 3.877 0.392 -2.074 1.00 0.00 C ATOM 1168 O THR A 77 3.475 -0.521 -2.793 1.00 0.00 O ATOM 1169 CB THR A 77 5.812 -0.801 -1.004 1.00 0.00 C ATOM 1170 OG1 THR A 77 6.050 -1.687 0.067 1.00 0.00 O ATOM 1171 CG2 THR A 77 7.037 0.099 -1.177 1.00 0.00 C ATOM 0 H THR A 77 3.304 -1.574 -0.331 1.00 0.00 H new ATOM 0 HA THR A 77 4.878 0.953 -0.238 1.00 0.00 H new ATOM 0 HB THR A 77 5.641 -1.378 -1.913 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.108 -1.180 0.904 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.919 -0.517 -1.352 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.883 0.763 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.183 0.693 -0.275 1.00 0.00 H new ATOM 1179 N LEU A 78 3.743 1.677 -2.404 1.00 0.00 N ATOM 1180 CA LEU A 78 3.097 2.105 -3.634 1.00 0.00 C ATOM 1181 C LEU A 78 4.189 2.499 -4.627 1.00 0.00 C ATOM 1182 O LEU A 78 4.789 3.563 -4.480 1.00 0.00 O ATOM 1183 CB LEU A 78 2.091 3.247 -3.401 1.00 0.00 C ATOM 1184 CG LEU A 78 1.417 3.263 -2.021 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.587 4.541 -1.889 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.506 2.050 -1.808 1.00 0.00 C ATOM 0 H LEU A 78 4.080 2.445 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 78 2.507 1.283 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.606 4.197 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.315 3.186 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 78 2.201 3.226 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.104 4.562 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.238 5.410 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.173 4.564 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.052 2.105 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.277 2.045 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.094 1.135 -1.887 1.00 0.00 H new ATOM 1198 N LEU A 79 4.444 1.662 -5.633 1.00 0.00 N ATOM 1199 CA LEU A 79 5.393 1.956 -6.703 1.00 0.00 C ATOM 1200 C LEU A 79 4.547 2.555 -7.819 1.00 0.00 C ATOM 1201 O LEU A 79 3.694 1.865 -8.376 1.00 0.00 O ATOM 1202 CB LEU A 79 6.079 0.678 -7.214 1.00 0.00 C ATOM 1203 CG LEU A 79 7.229 0.093 -6.377 1.00 0.00 C ATOM 1204 CD1 LEU A 79 8.512 0.912 -6.524 1.00 0.00 C ATOM 1205 CD2 LEU A 79 6.878 -0.050 -4.895 1.00 0.00 C ATOM 0 H LEU A 79 3.992 0.752 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 79 6.184 2.622 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.315 -0.093 -7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.463 0.882 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 79 7.397 -0.907 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.300 0.466 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.820 0.921 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.332 1.934 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.730 -0.468 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.634 0.929 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.020 -0.713 -4.787 1.00 0.00 H new ATOM 1217 N LEU A 80 4.755 3.829 -8.141 1.00 0.00 N ATOM 1218 CA LEU A 80 3.999 4.505 -9.175 1.00 0.00 C ATOM 1219 C LEU A 80 4.819 4.472 -10.453 1.00 0.00 C ATOM 1220 O LEU A 80 5.804 5.197 -10.578 1.00 0.00 O ATOM 1221 CB LEU A 80 3.682 5.917 -8.701 1.00 0.00 C ATOM 1222 CG LEU A 80 2.893 6.760 -9.714 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.803 6.003 -10.486 1.00 0.00 C ATOM 1224 CD2 LEU A 80 2.221 7.861 -8.902 1.00 0.00 C ATOM 0 H LEU A 80 5.455 4.417 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 80 3.047 4.016 -9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.113 5.857 -7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.616 6.429 -8.469 1.00 0.00 H new ATOM 0 HG LEU A 80 3.593 7.111 -10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.305 6.685 -11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.256 5.186 -11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.074 5.599 -9.784 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.640 8.500 -9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.560 7.414 -8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.982 8.457 -8.398 1.00 0.00 H new ATOM 1236 N PHE A 81 4.405 3.619 -11.386 1.00 0.00 N ATOM 1237 CA PHE A 81 5.039 3.401 -12.669 1.00 0.00 C ATOM 1238 C PHE A 81 4.394 4.268 -13.743 1.00 0.00 C ATOM 1239 O PHE A 81 3.195 4.531 -13.686 1.00 0.00 O ATOM 1240 CB PHE A 81 4.883 1.925 -13.052 1.00 0.00 C ATOM 1241 CG PHE A 81 5.787 0.978 -12.292 1.00 0.00 C ATOM 1242 CD1 PHE A 81 5.367 0.405 -11.079 1.00 0.00 C ATOM 1243 CD2 PHE A 81 7.015 0.593 -12.857 1.00 0.00 C ATOM 1244 CE1 PHE A 81 6.157 -0.577 -10.457 1.00 0.00 C ATOM 1245 CE2 PHE A 81 7.802 -0.395 -12.244 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.384 -0.960 -11.027 1.00 0.00 C ATOM 0 H PHE A 81 3.578 3.036 -11.255 1.00 0.00 H new ATOM 0 HA PHE A 81 6.093 3.667 -12.594 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.847 1.628 -12.888 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.080 1.817 -14.119 1.00 0.00 H new ATOM 0 HD1 PHE A 81 4.438 0.719 -10.626 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.356 1.060 -13.769 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.821 -1.038 -9.540 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.723 -0.719 -12.705 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.006 -1.689 -10.529 1.00 0.00 H new ATOM 1256 N LYS A 82 5.182 4.653 -14.747 1.00 0.00 N ATOM 1257 CA LYS A 82 4.750 5.364 -15.937 1.00 0.00 C ATOM 1258 C LYS A 82 5.532 4.731 -17.080 1.00 0.00 C ATOM 1259 O LYS A 82 6.739 4.939 -17.178 1.00 0.00 O ATOM 1260 CB LYS A 82 5.032 6.870 -15.851 1.00 0.00 C ATOM 1261 CG LYS A 82 4.076 7.602 -14.901 1.00 0.00 C ATOM 1262 CD LYS A 82 4.425 9.098 -14.808 1.00 0.00 C ATOM 1263 CE LYS A 82 3.989 9.919 -16.029 1.00 0.00 C ATOM 1264 NZ LYS A 82 2.533 10.144 -16.047 1.00 0.00 N ATOM 0 H LYS A 82 6.185 4.466 -14.747 1.00 0.00 H new ATOM 0 HA LYS A 82 3.672 5.282 -16.072 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.058 7.024 -15.516 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.953 7.307 -16.846 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.050 7.486 -15.251 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.127 7.151 -13.910 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.956 9.515 -13.917 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.502 9.202 -14.680 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.505 10.879 -16.024 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.288 9.401 -16.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.249 10.503 -16.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.041 9.248 -15.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.280 10.840 -15.317 1.00 0.00 H new ATOM 1278 N ASN A 83 4.857 3.934 -17.915 1.00 0.00 N ATOM 1279 CA ASN A 83 5.477 3.245 -19.043 1.00 0.00 C ATOM 1280 C ASN A 83 6.729 2.472 -18.609 1.00 0.00 C ATOM 1281 O ASN A 83 7.856 2.842 -18.929 1.00 0.00 O ATOM 1282 CB ASN A 83 5.747 4.235 -20.188 1.00 0.00 C ATOM 1283 CG ASN A 83 6.530 3.643 -21.363 1.00 0.00 C ATOM 1284 OD1 ASN A 83 7.403 4.303 -21.916 1.00 0.00 O ATOM 1285 ND2 ASN A 83 6.234 2.417 -21.786 1.00 0.00 N ATOM 0 H ASN A 83 3.858 3.750 -17.823 1.00 0.00 H new ATOM 0 HA ASN A 83 4.783 2.496 -19.424 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.794 4.615 -20.556 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.298 5.088 -19.792 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.735 2.016 -22.579 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.506 1.878 -21.318 1.00 0.00 H new ATOM 1292 N GLY A 84 6.533 1.382 -17.863 1.00 0.00 N ATOM 1293 CA GLY A 84 7.612 0.500 -17.434 1.00 0.00 C ATOM 1294 C GLY A 84 8.522 1.044 -16.330 1.00 0.00 C ATOM 1295 O GLY A 84 8.953 0.271 -15.475 1.00 0.00 O ATOM 0 H GLY A 84 5.612 1.088 -17.539 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.174 -0.436 -17.088 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.228 0.263 -18.302 1.00 0.00 H new ATOM 1299 N GLU A 85 8.835 2.342 -16.326 1.00 0.00 N ATOM 1300 CA GLU A 85 9.733 2.937 -15.349 1.00 0.00 C ATOM 1301 C GLU A 85 8.972 3.431 -14.123 1.00 0.00 C ATOM 1302 O GLU A 85 7.836 3.888 -14.233 1.00 0.00 O ATOM 1303 CB GLU A 85 10.496 4.100 -15.995 1.00 0.00 C ATOM 1304 CG GLU A 85 11.286 3.659 -17.236 1.00 0.00 C ATOM 1305 CD GLU A 85 12.269 2.533 -16.934 1.00 0.00 C ATOM 1306 OE1 GLU A 85 13.122 2.749 -16.045 1.00 0.00 O ATOM 1307 OE2 GLU A 85 12.147 1.475 -17.587 1.00 0.00 O ATOM 0 H GLU A 85 8.468 3.008 -17.006 1.00 0.00 H new ATOM 0 HA GLU A 85 10.436 2.172 -15.020 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.792 4.883 -16.275 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.181 4.533 -15.266 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.590 3.332 -18.008 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.830 4.513 -17.639 1.00 0.00 H new ATOM 1314 N VAL A 86 9.629 3.368 -12.965 1.00 0.00 N ATOM 1315 CA VAL A 86 9.100 3.881 -11.706 1.00 0.00 C ATOM 1316 C VAL A 86 9.194 5.409 -11.765 1.00 0.00 C ATOM 1317 O VAL A 86 10.292 5.958 -11.805 1.00 0.00 O ATOM 1318 CB VAL A 86 9.870 3.296 -10.503 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.443 3.956 -9.190 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.609 1.789 -10.362 1.00 0.00 C ATOM 0 H VAL A 86 10.556 2.953 -12.876 1.00 0.00 H new ATOM 0 HA VAL A 86 8.061 3.581 -11.569 1.00 0.00 H new ATOM 0 HB VAL A 86 10.926 3.486 -10.693 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.005 3.520 -8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.642 5.027 -9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.377 3.792 -9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.163 1.402 -9.507 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.543 1.617 -10.211 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.935 1.277 -11.267 1.00 0.00 H new ATOM 1330 N ALA A 87 8.048 6.091 -11.768 1.00 0.00 N ATOM 1331 CA ALA A 87 7.950 7.542 -11.787 1.00 0.00 C ATOM 1332 C ALA A 87 8.121 8.091 -10.375 1.00 0.00 C ATOM 1333 O ALA A 87 8.871 9.039 -10.156 1.00 0.00 O ATOM 1334 CB ALA A 87 6.587 7.952 -12.344 1.00 0.00 C ATOM 0 H ALA A 87 7.138 5.631 -11.757 1.00 0.00 H new ATOM 0 HA ALA A 87 8.737 7.950 -12.422 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.512 9.039 -12.359 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.477 7.567 -13.358 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.798 7.543 -11.713 1.00 0.00 H new ATOM 1340 N ALA A 88 7.420 7.483 -9.415 1.00 0.00 N ATOM 1341 CA ALA A 88 7.478 7.868 -8.013 1.00 0.00 C ATOM 1342 C ALA A 88 7.256 6.629 -7.160 1.00 0.00 C ATOM 1343 O ALA A 88 6.930 5.554 -7.666 1.00 0.00 O ATOM 1344 CB ALA A 88 6.453 8.963 -7.709 1.00 0.00 C ATOM 0 H ALA A 88 6.791 6.701 -9.597 1.00 0.00 H new ATOM 0 HA ALA A 88 8.458 8.285 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.514 9.236 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.663 9.839 -8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.451 8.596 -7.932 1.00 0.00 H new ATOM 1350 N THR A 89 7.460 6.751 -5.851 1.00 0.00 N ATOM 1351 CA THR A 89 7.334 5.635 -4.936 1.00 0.00 C ATOM 1352 C THR A 89 6.952 6.171 -3.561 1.00 0.00 C ATOM 1353 O THR A 89 7.394 7.255 -3.187 1.00 0.00 O ATOM 1354 CB THR A 89 8.667 4.872 -4.912 1.00 0.00 C ATOM 1355 OG1 THR A 89 8.931 4.316 -6.182 1.00 0.00 O ATOM 1356 CG2 THR A 89 8.678 3.734 -3.894 1.00 0.00 C ATOM 0 H THR A 89 7.717 7.629 -5.401 1.00 0.00 H new ATOM 0 HA THR A 89 6.554 4.942 -5.253 1.00 0.00 H new ATOM 0 HB THR A 89 9.429 5.599 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.783 3.833 -6.157 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.644 3.231 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.507 4.137 -2.896 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.890 3.021 -4.137 1.00 0.00 H new ATOM 1364 N LYS A 90 6.132 5.416 -2.828 1.00 0.00 N ATOM 1365 CA LYS A 90 5.688 5.742 -1.484 1.00 0.00 C ATOM 1366 C LYS A 90 5.797 4.474 -0.637 1.00 0.00 C ATOM 1367 O LYS A 90 5.547 3.374 -1.131 1.00 0.00 O ATOM 1368 CB LYS A 90 4.247 6.269 -1.537 1.00 0.00 C ATOM 1369 CG LYS A 90 3.631 6.545 -0.159 1.00 0.00 C ATOM 1370 CD LYS A 90 4.364 7.668 0.587 1.00 0.00 C ATOM 1371 CE LYS A 90 3.659 8.069 1.889 1.00 0.00 C ATOM 1372 NZ LYS A 90 3.377 6.909 2.755 1.00 0.00 N ATOM 0 H LYS A 90 5.750 4.534 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 90 6.305 6.522 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.229 7.188 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.625 5.544 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.582 6.815 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.659 5.634 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.381 7.346 0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.443 8.540 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.281 8.781 2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.725 8.578 1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.010 7.240 3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.670 6.299 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.253 6.369 2.908 1.00 0.00 H new ATOM 1386 N VAL A 91 6.167 4.641 0.633 1.00 0.00 N ATOM 1387 CA VAL A 91 6.310 3.587 1.622 1.00 0.00 C ATOM 1388 C VAL A 91 5.363 3.973 2.756 1.00 0.00 C ATOM 1389 O VAL A 91 5.490 5.069 3.300 1.00 0.00 O ATOM 1390 CB VAL A 91 7.774 3.519 2.099 1.00 0.00 C ATOM 1391 CG1 VAL A 91 8.054 2.225 2.876 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.737 3.563 0.911 1.00 0.00 C ATOM 0 H VAL A 91 6.384 5.562 1.013 1.00 0.00 H new ATOM 0 HA VAL A 91 6.066 2.600 1.230 1.00 0.00 H new ATOM 0 HB VAL A 91 7.929 4.381 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.096 2.211 3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.404 2.178 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.861 1.366 2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.764 3.514 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.543 2.715 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.591 4.491 0.359 1.00 0.00 H new ATOM 1402 N GLY A 92 4.396 3.117 3.075 1.00 0.00 N ATOM 1403 CA GLY A 92 3.396 3.386 4.096 1.00 0.00 C ATOM 1404 C GLY A 92 2.111 3.941 3.480 1.00 0.00 C ATOM 1405 O GLY A 92 2.060 4.273 2.295 1.00 0.00 O ATOM 0 H GLY A 92 4.286 2.208 2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.174 2.469 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.793 4.099 4.819 1.00 0.00 H new ATOM 1409 N ALA A 93 1.060 4.020 4.300 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.259 4.485 3.891 1.00 0.00 C ATOM 1411 C ALA A 93 -0.285 5.980 3.550 1.00 0.00 C ATOM 1412 O ALA A 93 0.668 6.711 3.816 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.261 4.160 5.003 1.00 0.00 C ATOM 0 H ALA A 93 1.107 3.757 5.284 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.533 3.966 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.253 4.503 4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.283 3.083 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.960 4.663 5.922 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.409 6.427 2.982 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.683 7.804 2.595 1.00 0.00 C ATOM 1421 C LEU A 94 -3.150 8.105 2.878 1.00 0.00 C ATOM 1422 O LEU A 94 -3.982 7.200 2.851 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.488 7.971 1.081 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.074 8.389 0.676 1.00 0.00 C ATOM 1425 CD1 LEU A 94 0.169 8.039 -0.792 1.00 0.00 C ATOM 1426 CD2 LEU A 94 0.049 9.908 0.795 1.00 0.00 C ATOM 0 H LEU A 94 -2.188 5.803 2.771 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.014 8.464 3.147 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.732 7.030 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.194 8.716 0.714 1.00 0.00 H new ATOM 0 HG LEU A 94 0.641 7.877 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.178 8.339 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.057 6.964 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.554 8.564 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.055 10.215 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.678 10.385 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.142 10.209 1.825 1.00 0.00 H new ATOM 1438 N SER A 95 -3.464 9.386 3.066 1.00 0.00 N ATOM 1439 CA SER A 95 -4.822 9.880 3.169 1.00 0.00 C ATOM 1440 C SER A 95 -5.282 10.179 1.737 1.00 0.00 C ATOM 1441 O SER A 95 -4.455 10.455 0.862 1.00 0.00 O ATOM 1442 CB SER A 95 -4.814 11.128 4.054 1.00 0.00 C ATOM 1443 OG SER A 95 -3.701 11.939 3.718 1.00 0.00 O ATOM 0 H SER A 95 -2.760 10.119 3.152 1.00 0.00 H new ATOM 0 HA SER A 95 -5.508 9.165 3.624 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.739 11.688 3.919 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.765 10.842 5.105 1.00 0.00 H new ATOM 0 HG SER A 95 -2.940 11.703 4.288 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.591 10.101 1.483 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.149 10.296 0.149 1.00 0.00 C ATOM 1451 C LYS A 96 -6.602 11.555 -0.532 1.00 0.00 C ATOM 1452 O LYS A 96 -6.110 11.475 -1.651 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.685 10.276 0.212 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.295 10.168 -1.193 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.807 9.932 -1.113 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.383 9.741 -2.519 1.00 0.00 C ATOM 1457 NZ LYS A 96 -12.838 9.504 -2.487 1.00 0.00 N ATOM 0 H LYS A 96 -7.290 9.901 2.198 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.829 9.465 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.016 9.435 0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.044 11.183 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.094 11.081 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.823 9.350 -1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.014 9.052 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.290 10.779 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.172 10.624 -3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.888 8.899 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.191 9.380 -3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.038 8.647 -1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.313 10.318 -2.048 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.674 12.709 0.137 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.188 13.969 -0.413 1.00 0.00 C ATOM 1473 C GLY A 97 -4.733 13.867 -0.877 1.00 0.00 C ATOM 1474 O GLY A 97 -4.424 14.107 -2.043 1.00 0.00 O ATOM 0 H GLY A 97 -7.071 12.792 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.817 14.265 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.274 14.751 0.341 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.832 13.487 0.035 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.420 13.361 -0.278 1.00 0.00 C ATOM 1480 C GLN A 98 -2.196 12.376 -1.423 1.00 0.00 C ATOM 1481 O GLN A 98 -1.379 12.628 -2.309 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.642 12.953 0.975 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.756 13.985 2.104 1.00 0.00 C ATOM 1484 CD GLN A 98 -1.431 15.415 1.679 1.00 0.00 C ATOM 1485 OE1 GLN A 98 -2.162 16.339 2.013 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -0.342 15.615 0.942 1.00 0.00 N ATOM 0 H GLN A 98 -4.067 13.261 1.002 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.047 14.329 -0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.011 11.990 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.592 12.817 0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.769 13.958 2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.085 13.697 2.914 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.248 14.826 0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.097 16.558 0.640 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.927 11.261 -1.423 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.817 10.287 -2.493 1.00 0.00 C ATOM 1497 C LEU A 99 -3.234 10.927 -3.820 1.00 0.00 C ATOM 1498 O LEU A 99 -2.486 10.851 -4.790 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.614 9.033 -2.120 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.602 7.915 -3.171 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.191 7.467 -3.575 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.323 6.711 -2.563 1.00 0.00 C ATOM 0 H LEU A 99 -3.597 11.016 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.784 9.965 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.219 8.635 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.648 9.322 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.085 8.299 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.260 6.675 -4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.647 8.313 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.662 7.094 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.335 5.893 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.802 6.393 -1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.347 6.989 -2.312 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.389 11.601 -3.866 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.833 12.297 -5.068 1.00 0.00 C ATOM 1516 C LYS A 100 -3.752 13.265 -5.554 1.00 0.00 C ATOM 1517 O LYS A 100 -3.445 13.285 -6.743 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.163 13.031 -4.838 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.336 12.051 -4.725 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.695 12.767 -4.695 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.367 12.842 -6.074 1.00 0.00 C ATOM 1522 NZ LYS A 100 -8.542 13.546 -7.072 1.00 0.00 N ATOM 0 H LYS A 100 -5.032 11.676 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.004 11.550 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.097 13.627 -3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.344 13.723 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.311 11.360 -5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.222 11.455 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.357 12.248 -4.002 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.558 13.777 -4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.575 11.832 -6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.327 13.350 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.124 13.777 -7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.167 14.423 -6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.752 12.935 -7.362 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.166 14.050 -4.641 1.00 0.00 N ATOM 1537 CA GLU A 101 -2.094 14.984 -4.969 1.00 0.00 C ATOM 1538 C GLU A 101 -0.909 14.240 -5.602 1.00 0.00 C ATOM 1539 O GLU A 101 -0.472 14.582 -6.699 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.657 15.744 -3.710 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.752 16.678 -3.173 1.00 0.00 C ATOM 1542 CD GLU A 101 -2.515 17.033 -1.705 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -1.361 17.390 -1.384 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -3.492 16.928 -0.932 1.00 0.00 O ATOM 0 H GLU A 101 -3.426 14.052 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.464 15.707 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.383 15.028 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.764 16.328 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.778 17.590 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.725 16.199 -3.280 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.396 13.221 -4.908 1.00 0.00 N ATOM 1552 CA PHE A 102 0.723 12.390 -5.351 1.00 0.00 C ATOM 1553 C PHE A 102 0.473 11.860 -6.767 1.00 0.00 C ATOM 1554 O PHE A 102 1.305 12.014 -7.665 1.00 0.00 O ATOM 1555 CB PHE A 102 0.918 11.253 -4.336 1.00 0.00 C ATOM 1556 CG PHE A 102 1.927 10.173 -4.696 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.285 10.330 -4.356 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.474 8.931 -5.182 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.167 9.237 -4.445 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.354 7.838 -5.266 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.697 7.984 -4.876 1.00 0.00 C ATOM 0 H PHE A 102 -0.759 12.944 -3.996 1.00 0.00 H new ATOM 0 HA PHE A 102 1.638 12.981 -5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.219 11.695 -3.386 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.048 10.774 -4.174 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.650 11.291 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.446 8.818 -5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.207 9.361 -4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.998 6.886 -5.630 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.365 7.136 -4.907 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.691 11.242 -6.969 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.077 10.692 -8.257 1.00 0.00 C ATOM 1573 C LEU A 103 -1.149 11.798 -9.309 1.00 0.00 C ATOM 1574 O LEU A 103 -0.513 11.692 -10.355 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.418 9.961 -8.128 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.347 8.741 -7.198 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.761 8.229 -6.939 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.451 7.631 -7.751 1.00 0.00 C ATOM 0 H LEU A 103 -1.391 11.111 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.324 9.974 -8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.170 10.655 -7.752 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.747 9.640 -9.116 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.891 9.055 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.719 7.362 -6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.352 9.015 -6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.223 7.944 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.437 6.793 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.839 7.296 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.438 8.012 -7.881 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.905 12.862 -9.033 1.00 0.00 N ATOM 1591 CA ASP A 104 -2.071 13.994 -9.936 1.00 0.00 C ATOM 1592 C ASP A 104 -0.718 14.533 -10.395 1.00 0.00 C ATOM 1593 O ASP A 104 -0.494 14.702 -11.591 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.897 15.094 -9.260 1.00 0.00 C ATOM 1595 CG ASP A 104 -3.071 16.288 -10.191 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -3.967 16.202 -11.059 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -2.301 17.258 -10.022 1.00 0.00 O ATOM 0 H ASP A 104 -2.426 12.960 -8.161 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.608 13.652 -10.821 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -3.874 14.701 -8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.405 15.412 -8.341 1.00 0.00 H new ATOM 1602 N ALA A 105 0.184 14.789 -9.446 1.00 0.00 N ATOM 1603 CA ALA A 105 1.520 15.296 -9.727 1.00 0.00 C ATOM 1604 C ALA A 105 2.266 14.402 -10.721 1.00 0.00 C ATOM 1605 O ALA A 105 2.989 14.902 -11.582 1.00 0.00 O ATOM 1606 CB ALA A 105 2.303 15.428 -8.418 1.00 0.00 C ATOM 0 H ALA A 105 0.002 14.647 -8.452 1.00 0.00 H new ATOM 0 HA ALA A 105 1.426 16.278 -10.190 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.303 15.807 -8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.785 16.119 -7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.379 14.452 -7.939 1.00 0.00 H new ATOM 1612 N ASN A 106 2.085 13.084 -10.618 1.00 0.00 N ATOM 1613 CA ASN A 106 2.752 12.130 -11.500 1.00 0.00 C ATOM 1614 C ASN A 106 2.049 12.067 -12.851 1.00 0.00 C ATOM 1615 O ASN A 106 2.706 12.045 -13.889 1.00 0.00 O ATOM 1616 CB ASN A 106 2.776 10.743 -10.855 1.00 0.00 C ATOM 1617 CG ASN A 106 3.936 10.598 -9.882 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.978 10.063 -10.244 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.769 11.050 -8.641 1.00 0.00 N ATOM 0 H ASN A 106 1.475 12.652 -9.924 1.00 0.00 H new ATOM 0 HA ASN A 106 3.777 12.465 -11.658 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.836 10.569 -10.331 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.854 9.982 -11.631 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.521 10.956 -7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.889 11.490 -8.373 1.00 0.00 H new ATOM 1626 N LEU A 107 0.715 12.032 -12.855 1.00 0.00 N ATOM 1627 CA LEU A 107 -0.074 11.999 -14.076 1.00 0.00 C ATOM 1628 C LEU A 107 0.247 13.234 -14.918 1.00 0.00 C ATOM 1629 O LEU A 107 0.506 13.126 -16.114 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.562 11.926 -13.716 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.961 10.552 -13.148 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.281 10.678 -12.387 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -2.126 9.511 -14.265 1.00 0.00 C ATOM 0 H LEU A 107 0.154 12.026 -12.003 1.00 0.00 H new ATOM 0 HA LEU A 107 0.172 11.116 -14.666 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.795 12.700 -12.985 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.159 12.137 -14.604 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.166 10.220 -12.480 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.563 9.705 -11.985 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.163 11.388 -11.569 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.059 11.030 -13.064 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.408 8.552 -13.830 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.903 9.839 -14.956 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.184 9.402 -14.803 1.00 0.00 H new ATOM 1645 N ALA A 108 0.262 14.410 -14.286 1.00 0.00 N ATOM 1646 CA ALA A 108 0.598 15.664 -14.939 1.00 0.00 C ATOM 1647 C ALA A 108 2.019 15.588 -15.501 1.00 0.00 C ATOM 1648 O ALA A 108 2.471 16.511 -16.177 1.00 0.00 O ATOM 1649 CB ALA A 108 0.459 16.813 -13.936 1.00 0.00 C ATOM 0 H ALA A 108 0.038 14.513 -13.296 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.085 15.847 -15.769 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.711 17.755 -14.424 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.568 16.856 -13.572 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.135 16.647 -13.097 1.00 0.00 H new