USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 583 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.572 K(o=-0.57,f=-2.3!) USER MOD Single : A 19 THR OG1 : rot -81:sc= 0.0934 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -118:sc= 0.271 (180deg=-0.0297) USER MOD Single : A 28 ASN : amide:sc= -0.0554 K(o=-0.055,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0.975 (180deg=0.918) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc=-0.00115 K(o=-0.0012,f=-0.62) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 42 CYS SG : rot 49:sc= -0.304 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00823 USER MOD Single : A 47 HIS : no HD1:sc= 0.528 K(o=0.53,f=-1.7!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 52 SER OG : rot 150:sc= 1.84 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.3) USER MOD Single : A 65 ASN : amide:sc= 0.687 K(o=0.69,f=-2.5) USER MOD Single : A 66 LYS NZ :NH3+ -128:sc= 0.00472 (180deg=-0.168) USER MOD Single : A 68 GLN : amide:sc= 0.179 X(o=0.18,f=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.818 USER MOD Single : A 70 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= 0.0597 K(o=0.06,f=-1.3) USER MOD Single : A 77 MET CE :methyl -136:sc= -0.11 (180deg=-0.644) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -127:sc= -0.153 (180deg=-1.39) USER MOD Single : A 81 GLN : amide:sc= -0.266 K(o=-0.27,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 128 N VAL A 10 9.247 15.110 -11.357 1.00 0.00 N ATOM 129 CA VAL A 10 9.159 15.698 -10.025 1.00 0.00 C ATOM 130 C VAL A 10 8.394 17.016 -10.123 1.00 0.00 C ATOM 131 O VAL A 10 8.307 17.615 -11.192 1.00 0.00 O ATOM 132 CB VAL A 10 10.561 15.960 -9.458 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.293 14.650 -9.170 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.414 16.804 -10.409 1.00 0.00 C ATOM 0 HA VAL A 10 8.641 15.007 -9.359 1.00 0.00 H new ATOM 0 HB VAL A 10 10.419 16.512 -8.529 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.283 14.867 -8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.726 14.069 -8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.392 14.078 -10.093 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.398 16.966 -9.969 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.523 16.282 -11.360 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.929 17.766 -10.576 1.00 0.00 H new ATOM 144 N GLU A 11 7.839 17.463 -8.995 1.00 0.00 N ATOM 145 CA GLU A 11 7.123 18.725 -8.919 1.00 0.00 C ATOM 146 C GLU A 11 8.103 19.891 -8.834 1.00 0.00 C ATOM 147 O GLU A 11 9.244 19.714 -8.411 1.00 0.00 O ATOM 148 CB GLU A 11 6.184 18.724 -7.711 1.00 0.00 C ATOM 149 CG GLU A 11 5.015 17.757 -7.919 1.00 0.00 C ATOM 150 CD GLU A 11 4.059 18.194 -9.031 1.00 0.00 C ATOM 151 OE1 GLU A 11 4.249 19.303 -9.576 1.00 0.00 O ATOM 152 OE2 GLU A 11 3.135 17.403 -9.331 1.00 0.00 O ATOM 0 H GLU A 11 7.877 16.955 -8.111 1.00 0.00 H new ATOM 0 HA GLU A 11 6.528 18.845 -9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.739 18.441 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.801 19.731 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.408 16.768 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.459 17.665 -6.986 1.00 0.00 H new ATOM 159 N LYS A 12 7.648 21.080 -9.237 1.00 0.00 N ATOM 160 CA LYS A 12 8.456 22.290 -9.222 1.00 0.00 C ATOM 161 C LYS A 12 7.640 23.520 -8.853 1.00 0.00 C ATOM 162 O LYS A 12 6.441 23.592 -9.127 1.00 0.00 O ATOM 163 CB LYS A 12 9.143 22.500 -10.578 1.00 0.00 C ATOM 164 CG LYS A 12 10.507 21.816 -10.602 1.00 0.00 C ATOM 165 CD LYS A 12 11.201 22.061 -11.944 1.00 0.00 C ATOM 166 CE LYS A 12 12.616 21.490 -11.888 1.00 0.00 C ATOM 167 NZ LYS A 12 13.328 21.697 -13.167 1.00 0.00 N ATOM 0 H LYS A 12 6.700 21.225 -9.585 1.00 0.00 H new ATOM 0 HA LYS A 12 9.216 22.156 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.516 22.100 -11.375 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.262 23.566 -10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.126 22.196 -9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.387 20.745 -10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.638 21.591 -12.750 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.235 23.129 -12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.171 21.965 -11.079 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.572 20.425 -11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.286 21.299 -13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.810 21.223 -13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.390 22.715 -13.369 1.00 0.00 H new ATOM 181 N ILE A 13 8.321 24.482 -8.231 1.00 0.00 N ATOM 182 CA ILE A 13 7.764 25.761 -7.817 1.00 0.00 C ATOM 183 C ILE A 13 8.845 26.825 -7.992 1.00 0.00 C ATOM 184 O ILE A 13 10.031 26.520 -7.896 1.00 0.00 O ATOM 185 CB ILE A 13 7.278 25.683 -6.362 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.981 24.866 -6.295 1.00 0.00 C ATOM 187 CG2 ILE A 13 7.063 27.076 -5.757 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.427 24.798 -4.874 1.00 0.00 C ATOM 0 H ILE A 13 9.309 24.385 -7.995 1.00 0.00 H new ATOM 0 HA ILE A 13 6.900 26.021 -8.429 1.00 0.00 H new ATOM 0 HB ILE A 13 8.052 25.190 -5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.236 25.311 -6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.168 23.856 -6.661 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.719 26.976 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.002 27.629 -5.774 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.314 27.614 -6.339 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.509 24.211 -4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.161 24.329 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.215 25.806 -4.517 1.00 0.00 H new ATOM 200 N LYS A 14 8.432 28.069 -8.247 1.00 0.00 N ATOM 201 CA LYS A 14 9.350 29.191 -8.379 1.00 0.00 C ATOM 202 C LYS A 14 8.716 30.443 -7.787 1.00 0.00 C ATOM 203 O LYS A 14 7.525 30.688 -7.991 1.00 0.00 O ATOM 204 CB LYS A 14 9.731 29.373 -9.848 1.00 0.00 C ATOM 205 CG LYS A 14 10.672 30.564 -10.040 1.00 0.00 C ATOM 206 CD LYS A 14 11.052 30.686 -11.513 1.00 0.00 C ATOM 207 CE LYS A 14 11.998 31.870 -11.707 1.00 0.00 C ATOM 208 NZ LYS A 14 12.367 32.019 -13.129 1.00 0.00 N ATOM 0 H LYS A 14 7.451 28.321 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 14 10.268 28.995 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.211 28.466 -10.216 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.830 29.520 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.188 31.480 -9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.568 30.434 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.530 29.767 -11.852 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.156 30.821 -12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.521 32.784 -11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.896 31.726 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.010 32.829 -13.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.842 31.154 -13.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.509 32.179 -13.695 1.00 0.00 H new ATOM 222 N GLN A 15 9.504 31.230 -7.055 1.00 0.00 N ATOM 223 CA GLN A 15 9.015 32.448 -6.425 1.00 0.00 C ATOM 224 C GLN A 15 10.161 33.427 -6.179 1.00 0.00 C ATOM 225 O GLN A 15 11.289 33.012 -5.935 1.00 0.00 O ATOM 226 CB GLN A 15 8.288 32.082 -5.124 1.00 0.00 C ATOM 227 CG GLN A 15 7.788 33.326 -4.387 1.00 0.00 C ATOM 228 CD GLN A 15 6.884 34.177 -5.273 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.007 33.659 -5.961 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.091 35.492 -5.262 1.00 0.00 N ATOM 0 H GLN A 15 10.492 31.040 -6.885 1.00 0.00 H new ATOM 0 HA GLN A 15 8.309 32.948 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.445 31.429 -5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.961 31.521 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.243 33.025 -3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.639 33.921 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.828 35.887 -4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.512 36.104 -5.837 1.00 0.00 H new ATOM 239 N TRP A 16 9.860 34.726 -6.241 1.00 0.00 N ATOM 240 CA TRP A 16 10.828 35.791 -6.030 1.00 0.00 C ATOM 241 C TRP A 16 10.809 36.262 -4.578 1.00 0.00 C ATOM 242 O TRP A 16 9.763 36.227 -3.927 1.00 0.00 O ATOM 243 CB TRP A 16 10.492 36.949 -6.966 1.00 0.00 C ATOM 244 CG TRP A 16 10.439 36.585 -8.417 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.388 36.001 -9.039 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.481 36.707 -9.430 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.707 35.754 -10.357 1.00 0.00 N ATOM 248 CE2 TRP A 16 10.987 36.178 -10.657 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.787 37.232 -9.443 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.754 36.152 -11.825 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.561 37.221 -10.611 1.00 0.00 C ATOM 252 CH2 TRP A 16 13.047 36.683 -11.800 1.00 0.00 C ATOM 0 H TRP A 16 8.920 35.067 -6.443 1.00 0.00 H new ATOM 0 HA TRP A 16 11.829 35.418 -6.245 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.528 37.366 -6.675 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.234 37.736 -6.830 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.443 35.764 -8.573 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.077 35.313 -11.027 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.200 37.651 -8.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.354 35.728 -12.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.561 37.630 -10.596 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.650 36.679 -12.696 1.00 0.00 H new ATOM 263 N ILE A 17 11.965 36.705 -4.079 1.00 0.00 N ATOM 264 CA ILE A 17 12.104 37.287 -2.751 1.00 0.00 C ATOM 265 C ILE A 17 13.005 38.517 -2.892 1.00 0.00 C ATOM 266 O ILE A 17 13.917 38.521 -3.720 1.00 0.00 O ATOM 267 CB ILE A 17 12.675 36.259 -1.758 1.00 0.00 C ATOM 268 CG1 ILE A 17 14.187 36.080 -1.935 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.944 34.918 -1.865 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.762 35.057 -0.957 1.00 0.00 C ATOM 0 H ILE A 17 12.842 36.667 -4.598 1.00 0.00 H new ATOM 0 HA ILE A 17 11.135 37.583 -2.349 1.00 0.00 H new ATOM 0 HB ILE A 17 12.508 36.651 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.397 35.763 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.685 37.039 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.370 34.213 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.886 35.062 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.054 34.523 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.836 34.963 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 17 14.577 35.387 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 17 14.285 34.091 -1.119 1.00 0.00 H new ATOM 282 N PRO A 18 12.772 39.566 -2.096 1.00 0.00 N ATOM 283 CA PRO A 18 13.563 40.783 -2.130 1.00 0.00 C ATOM 284 C PRO A 18 14.986 40.505 -1.665 1.00 0.00 C ATOM 285 O PRO A 18 15.236 39.541 -0.943 1.00 0.00 O ATOM 286 CB PRO A 18 12.838 41.758 -1.204 1.00 0.00 C ATOM 287 CG PRO A 18 12.124 40.838 -0.216 1.00 0.00 C ATOM 288 CD PRO A 18 11.726 39.657 -1.098 1.00 0.00 C ATOM 0 HA PRO A 18 13.654 41.194 -3.135 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.535 42.427 -0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.134 42.385 -1.751 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.778 40.533 0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 18 11.256 41.320 0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.653 38.737 -0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.752 39.820 -1.560 1.00 0.00 H new ATOM 296 N THR A 19 15.932 41.354 -2.074 1.00 0.00 N ATOM 297 CA THR A 19 17.342 41.157 -1.759 1.00 0.00 C ATOM 298 C THR A 19 17.689 41.067 -0.278 1.00 0.00 C ATOM 299 O THR A 19 18.691 40.460 0.095 1.00 0.00 O ATOM 300 CB THR A 19 18.228 42.166 -2.492 1.00 0.00 C ATOM 301 OG1 THR A 19 17.586 42.627 -3.659 1.00 0.00 O ATOM 302 CG2 THR A 19 19.576 41.547 -2.851 1.00 0.00 C ATOM 0 H THR A 19 15.741 42.189 -2.628 1.00 0.00 H new ATOM 0 HA THR A 19 17.560 40.157 -2.135 1.00 0.00 H new ATOM 0 HB THR A 19 18.401 43.010 -1.824 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.703 41.971 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.188 42.284 -3.371 1.00 0.00 H new ATOM 0 HG22 THR A 19 20.085 41.230 -1.941 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.419 40.684 -3.498 1.00 0.00 H new ATOM 310 N THR A 20 16.857 41.675 0.572 1.00 0.00 N ATOM 311 CA THR A 20 17.035 41.625 2.017 1.00 0.00 C ATOM 312 C THR A 20 16.635 40.298 2.653 1.00 0.00 C ATOM 313 O THR A 20 16.954 40.043 3.814 1.00 0.00 O ATOM 314 CB THR A 20 16.387 42.825 2.716 1.00 0.00 C ATOM 315 OG1 THR A 20 15.048 42.515 3.046 1.00 0.00 O ATOM 316 CG2 THR A 20 16.403 44.086 1.853 1.00 0.00 C ATOM 0 H THR A 20 16.044 42.214 0.274 1.00 0.00 H new ATOM 0 HA THR A 20 18.111 41.695 2.175 1.00 0.00 H new ATOM 0 HB THR A 20 16.973 43.027 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.635 43.283 3.494 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.932 44.905 2.397 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.433 44.352 1.617 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.855 43.901 0.929 1.00 0.00 H new ATOM 324 N GLU A 21 15.940 39.447 1.896 1.00 0.00 N ATOM 325 CA GLU A 21 15.495 38.145 2.364 1.00 0.00 C ATOM 326 C GLU A 21 16.380 37.026 1.821 1.00 0.00 C ATOM 327 O GLU A 21 16.278 35.892 2.279 1.00 0.00 O ATOM 328 CB GLU A 21 14.027 37.939 1.992 1.00 0.00 C ATOM 329 CG GLU A 21 13.148 38.858 2.846 1.00 0.00 C ATOM 330 CD GLU A 21 11.654 38.629 2.610 1.00 0.00 C ATOM 331 OE1 GLU A 21 10.861 39.313 3.296 1.00 0.00 O ATOM 332 OE2 GLU A 21 11.309 37.782 1.755 1.00 0.00 O ATOM 0 H GLU A 21 15.671 39.650 0.933 1.00 0.00 H new ATOM 0 HA GLU A 21 15.583 38.112 3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.876 38.154 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.744 36.898 2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.375 38.695 3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.392 39.897 2.624 1.00 0.00 H new ATOM 339 N VAL A 22 17.250 37.330 0.853 1.00 0.00 N ATOM 340 CA VAL A 22 18.195 36.341 0.351 1.00 0.00 C ATOM 341 C VAL A 22 19.211 36.005 1.440 1.00 0.00 C ATOM 342 O VAL A 22 19.691 34.875 1.524 1.00 0.00 O ATOM 343 CB VAL A 22 18.898 36.870 -0.901 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.869 35.827 -1.456 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.883 37.213 -1.992 1.00 0.00 C ATOM 0 H VAL A 22 17.316 38.245 0.408 1.00 0.00 H new ATOM 0 HA VAL A 22 17.657 35.432 0.080 1.00 0.00 H new ATOM 0 HB VAL A 22 19.444 37.768 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 22 20.358 36.223 -2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.621 35.592 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 22 19.321 34.921 -1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 22 18.407 37.587 -2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.319 36.319 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.199 37.978 -1.625 1.00 0.00 H new ATOM 355 N GLY A 23 19.541 36.986 2.285 1.00 0.00 N ATOM 356 CA GLY A 23 20.490 36.793 3.370 1.00 0.00 C ATOM 357 C GLY A 23 19.892 35.952 4.494 1.00 0.00 C ATOM 358 O GLY A 23 20.630 35.401 5.310 1.00 0.00 O ATOM 0 H GLY A 23 19.157 37.929 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.387 36.306 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.797 37.762 3.763 1.00 0.00 H new ATOM 362 N LYS A 24 18.558 35.843 4.544 1.00 0.00 N ATOM 363 CA LYS A 24 17.885 35.040 5.554 1.00 0.00 C ATOM 364 C LYS A 24 17.901 33.553 5.183 1.00 0.00 C ATOM 365 O LYS A 24 17.616 32.711 6.028 1.00 0.00 O ATOM 366 CB LYS A 24 16.445 35.528 5.736 1.00 0.00 C ATOM 367 CG LYS A 24 16.419 36.977 6.232 1.00 0.00 C ATOM 368 CD LYS A 24 14.976 37.391 6.542 1.00 0.00 C ATOM 369 CE LYS A 24 14.925 38.791 7.148 1.00 0.00 C ATOM 370 NZ LYS A 24 15.394 39.819 6.200 1.00 0.00 N ATOM 0 H LYS A 24 17.927 36.306 3.890 1.00 0.00 H new ATOM 0 HA LYS A 24 18.423 35.155 6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.909 35.453 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.926 34.886 6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.036 37.077 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.843 37.638 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.382 37.365 5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.529 36.676 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.903 39.018 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.540 38.820 8.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.237 40.289 6.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.633 39.371 5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.643 40.523 6.051 1.00 0.00 H new ATOM 384 N ILE A 25 18.236 33.234 3.928 1.00 0.00 N ATOM 385 CA ILE A 25 18.287 31.852 3.459 1.00 0.00 C ATOM 386 C ILE A 25 19.733 31.381 3.297 1.00 0.00 C ATOM 387 O ILE A 25 20.033 30.223 3.579 1.00 0.00 O ATOM 388 CB ILE A 25 17.544 31.729 2.123 1.00 0.00 C ATOM 389 CG1 ILE A 25 16.098 32.229 2.250 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.568 30.272 1.645 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.381 32.184 0.901 1.00 0.00 C ATOM 0 H ILE A 25 18.477 33.924 3.216 1.00 0.00 H new ATOM 0 HA ILE A 25 17.804 31.219 4.203 1.00 0.00 H new ATOM 0 HB ILE A 25 18.051 32.353 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.560 31.615 2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.095 33.249 2.633 1.00 0.00 H new ATOM 0 HG21 ILE A 25 17.039 30.192 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.601 29.949 1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 25 17.082 29.638 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.359 32.543 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.908 32.818 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.364 31.159 0.532 1.00 0.00 H new ATOM 403 N LEU A 26 20.624 32.266 2.841 1.00 0.00 N ATOM 404 CA LEU A 26 21.995 31.900 2.501 1.00 0.00 C ATOM 405 C LEU A 26 23.025 32.460 3.481 1.00 0.00 C ATOM 406 O LEU A 26 24.197 32.096 3.411 1.00 0.00 O ATOM 407 CB LEU A 26 22.305 32.403 1.088 1.00 0.00 C ATOM 408 CG LEU A 26 21.286 31.945 0.043 1.00 0.00 C ATOM 409 CD1 LEU A 26 21.696 32.528 -1.309 1.00 0.00 C ATOM 410 CD2 LEU A 26 21.266 30.421 -0.055 1.00 0.00 C ATOM 0 H LEU A 26 20.412 33.254 2.699 1.00 0.00 H new ATOM 0 HA LEU A 26 22.067 30.814 2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.340 33.492 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 26 23.296 32.055 0.796 1.00 0.00 H new ATOM 0 HG LEU A 26 20.292 32.287 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 26 20.983 32.215 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 26 21.707 33.616 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.691 32.169 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 26 20.535 30.114 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 26 22.254 30.062 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.995 29.998 0.912 1.00 0.00 H new ATOM 422 N GLY A 27 22.606 33.341 4.394 1.00 0.00 N ATOM 423 CA GLY A 27 23.529 34.024 5.294 1.00 0.00 C ATOM 424 C GLY A 27 24.109 33.096 6.359 1.00 0.00 C ATOM 425 O GLY A 27 25.179 33.377 6.893 1.00 0.00 O ATOM 0 H GLY A 27 21.627 33.596 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.343 34.457 4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 27 23.011 34.850 5.781 1.00 0.00 H new ATOM 429 N ASN A 28 23.414 31.998 6.661 1.00 0.00 N ATOM 430 CA ASN A 28 23.879 31.003 7.618 1.00 0.00 C ATOM 431 C ASN A 28 24.638 29.884 6.906 1.00 0.00 C ATOM 432 O ASN A 28 24.517 28.721 7.281 1.00 0.00 O ATOM 433 CB ASN A 28 22.698 30.447 8.423 1.00 0.00 C ATOM 434 CG ASN A 28 21.999 31.504 9.271 1.00 0.00 C ATOM 435 OD1 ASN A 28 22.299 32.692 9.190 1.00 0.00 O ATOM 436 ND2 ASN A 28 21.054 31.068 10.097 1.00 0.00 N ATOM 0 H ASN A 28 22.509 31.777 6.245 1.00 0.00 H new ATOM 0 HA ASN A 28 24.568 31.482 8.313 1.00 0.00 H new ATOM 0 HB2 ASN A 28 21.975 30.004 7.737 1.00 0.00 H new ATOM 0 HB3 ASN A 28 23.054 29.647 9.072 1.00 0.00 H new ATOM 0 HD21 ASN A 28 20.551 31.728 10.690 1.00 0.00 H new ATOM 0 HD22 ASN A 28 20.831 30.073 10.138 1.00 0.00 H new ATOM 443 N ARG A 29 25.417 30.221 5.871 1.00 0.00 N ATOM 444 CA ARG A 29 26.074 29.232 5.021 1.00 0.00 C ATOM 445 C ARG A 29 25.035 28.282 4.430 1.00 0.00 C ATOM 446 O ARG A 29 25.289 27.090 4.251 1.00 0.00 O ATOM 447 CB ARG A 29 27.191 28.502 5.774 1.00 0.00 C ATOM 448 CG ARG A 29 28.208 29.467 6.392 1.00 0.00 C ATOM 449 CD ARG A 29 28.887 30.328 5.328 1.00 0.00 C ATOM 450 NE ARG A 29 29.885 31.222 5.932 1.00 0.00 N ATOM 451 CZ ARG A 29 31.177 30.916 6.084 1.00 0.00 C ATOM 452 NH1 ARG A 29 31.653 29.735 5.697 1.00 0.00 N ATOM 453 NH2 ARG A 29 32.005 31.802 6.630 1.00 0.00 N ATOM 0 H ARG A 29 25.607 31.187 5.603 1.00 0.00 H new ATOM 0 HA ARG A 29 26.560 29.742 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 29 26.753 27.887 6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 29 27.705 27.826 5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 29 27.707 30.110 7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.962 28.901 6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 29 29.368 29.687 4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 29 28.138 30.918 4.800 1.00 0.00 H new ATOM 0 HE ARG A 29 29.571 32.136 6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.029 29.046 5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 29 32.642 29.518 5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 29 31.653 32.711 6.931 1.00 0.00 H new ATOM 0 HH22 ARG A 29 32.992 31.573 6.748 1.00 0.00 H new ATOM 467 N ALA A 30 23.855 28.832 4.135 1.00 0.00 N ATOM 468 CA ALA A 30 22.697 28.111 3.627 1.00 0.00 C ATOM 469 C ALA A 30 22.221 26.984 4.546 1.00 0.00 C ATOM 470 O ALA A 30 21.519 26.080 4.097 1.00 0.00 O ATOM 471 CB ALA A 30 22.931 27.664 2.185 1.00 0.00 C ATOM 0 H ALA A 30 23.678 29.830 4.250 1.00 0.00 H new ATOM 0 HA ALA A 30 21.861 28.811 3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 30 22.054 27.127 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 30 23.106 28.538 1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.801 27.008 2.144 1.00 0.00 H new ATOM 477 N ALA A 31 22.592 27.020 5.830 1.00 0.00 N ATOM 478 CA ALA A 31 22.116 26.034 6.788 1.00 0.00 C ATOM 479 C ALA A 31 20.604 26.167 6.975 1.00 0.00 C ATOM 480 O ALA A 31 19.949 25.209 7.377 1.00 0.00 O ATOM 481 CB ALA A 31 22.842 26.232 8.118 1.00 0.00 C ATOM 0 H ALA A 31 23.219 27.722 6.223 1.00 0.00 H new ATOM 0 HA ALA A 31 22.325 25.032 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.488 25.495 8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 31 23.915 26.108 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 31 22.642 27.235 8.496 1.00 0.00 H new ATOM 487 N VAL A 32 20.048 27.349 6.683 1.00 0.00 N ATOM 488 CA VAL A 32 18.614 27.581 6.770 1.00 0.00 C ATOM 489 C VAL A 32 17.935 26.874 5.603 1.00 0.00 C ATOM 490 O VAL A 32 16.851 26.314 5.768 1.00 0.00 O ATOM 491 CB VAL A 32 18.355 29.088 6.685 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.877 29.380 6.443 1.00 0.00 C ATOM 493 CG2 VAL A 32 18.798 29.756 7.982 1.00 0.00 C ATOM 0 H VAL A 32 20.583 28.164 6.382 1.00 0.00 H new ATOM 0 HA VAL A 32 18.218 27.196 7.710 1.00 0.00 H new ATOM 0 HB VAL A 32 18.926 29.486 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.723 30.458 6.387 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.564 28.920 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 32 16.286 28.971 7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 32 18.613 30.828 7.920 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.236 29.338 8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.862 29.580 8.137 1.00 0.00 H new ATOM 503 N LYS A 33 18.563 26.890 4.422 1.00 0.00 N ATOM 504 CA LYS A 33 17.991 26.245 3.249 1.00 0.00 C ATOM 505 C LYS A 33 17.999 24.734 3.444 1.00 0.00 C ATOM 506 O LYS A 33 17.029 24.057 3.114 1.00 0.00 O ATOM 507 CB LYS A 33 18.791 26.651 2.009 1.00 0.00 C ATOM 508 CG LYS A 33 18.072 26.199 0.740 1.00 0.00 C ATOM 509 CD LYS A 33 18.829 26.663 -0.508 1.00 0.00 C ATOM 510 CE LYS A 33 20.145 25.907 -0.687 1.00 0.00 C ATOM 511 NZ LYS A 33 19.911 24.484 -1.007 1.00 0.00 N ATOM 0 H LYS A 33 19.463 27.342 4.260 1.00 0.00 H new ATOM 0 HA LYS A 33 16.958 26.563 3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.925 27.733 1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.786 26.207 2.049 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.983 25.113 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.059 26.602 0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.203 26.517 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.031 27.732 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.726 26.370 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.737 25.984 0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.818 24.023 -1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.468 24.013 -0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.282 24.413 -1.832 1.00 0.00 H new ATOM 525 N LYS A 34 19.099 24.210 3.989 1.00 0.00 N ATOM 526 CA LYS A 34 19.262 22.780 4.233 1.00 0.00 C ATOM 527 C LYS A 34 18.412 22.294 5.409 1.00 0.00 C ATOM 528 O LYS A 34 18.248 21.088 5.582 1.00 0.00 O ATOM 529 CB LYS A 34 20.743 22.472 4.466 1.00 0.00 C ATOM 530 CG LYS A 34 21.534 22.736 3.179 1.00 0.00 C ATOM 531 CD LYS A 34 23.032 22.485 3.374 1.00 0.00 C ATOM 532 CE LYS A 34 23.623 23.480 4.376 1.00 0.00 C ATOM 533 NZ LYS A 34 25.088 23.333 4.477 1.00 0.00 N ATOM 0 H LYS A 34 19.903 24.770 4.274 1.00 0.00 H new ATOM 0 HA LYS A 34 18.911 22.242 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 34 21.130 23.091 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.865 21.433 4.773 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.158 22.094 2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.376 23.766 2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.192 21.467 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.548 22.575 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.378 24.497 4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.171 23.324 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.459 24.020 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.319 22.369 4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.519 23.505 3.546 1.00 0.00 H new ATOM 547 N HIS A 35 17.868 23.209 6.218 1.00 0.00 N ATOM 548 CA HIS A 35 16.991 22.839 7.320 1.00 0.00 C ATOM 549 C HIS A 35 15.570 22.577 6.820 1.00 0.00 C ATOM 550 O HIS A 35 14.843 21.784 7.412 1.00 0.00 O ATOM 551 CB HIS A 35 16.990 23.965 8.360 1.00 0.00 C ATOM 552 CG HIS A 35 16.219 23.614 9.604 1.00 0.00 C ATOM 553 ND1 HIS A 35 16.582 22.677 10.555 1.00 0.00 N ATOM 554 CD2 HIS A 35 15.046 24.185 10.011 1.00 0.00 C ATOM 555 CE1 HIS A 35 15.641 22.675 11.515 1.00 0.00 C ATOM 556 NE2 HIS A 35 14.700 23.585 11.207 1.00 0.00 N ATOM 0 H HIS A 35 18.024 24.213 6.125 1.00 0.00 H new ATOM 0 HA HIS A 35 17.360 21.920 7.776 1.00 0.00 H new ATOM 0 HB2 HIS A 35 18.019 24.203 8.631 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.562 24.863 7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 35 14.495 24.958 9.496 1.00 0.00 H new ATOM 0 HE1 HIS A 35 15.641 22.045 12.392 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.871 23.797 11.762 1.00 0.00 H new ATOM 565 N ILE A 36 15.172 23.239 5.730 1.00 0.00 N ATOM 566 CA ILE A 36 13.851 23.061 5.146 1.00 0.00 C ATOM 567 C ILE A 36 13.830 21.832 4.235 1.00 0.00 C ATOM 568 O ILE A 36 12.794 21.187 4.084 1.00 0.00 O ATOM 569 CB ILE A 36 13.454 24.341 4.399 1.00 0.00 C ATOM 570 CG1 ILE A 36 13.306 25.482 5.412 1.00 0.00 C ATOM 571 CG2 ILE A 36 12.149 24.147 3.625 1.00 0.00 C ATOM 572 CD1 ILE A 36 13.050 26.821 4.725 1.00 0.00 C ATOM 0 H ILE A 36 15.758 23.910 5.233 1.00 0.00 H new ATOM 0 HA ILE A 36 13.117 22.884 5.932 1.00 0.00 H new ATOM 0 HB ILE A 36 14.232 24.585 3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.484 25.260 6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.210 25.551 6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.893 25.071 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.273 23.344 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.350 23.887 4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.951 27.603 5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.885 27.056 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.131 26.761 4.141 1.00 0.00 H new ATOM 584 N GLU A 37 14.974 21.499 3.628 1.00 0.00 N ATOM 585 CA GLU A 37 15.071 20.337 2.758 1.00 0.00 C ATOM 586 C GLU A 37 14.915 19.036 3.545 1.00 0.00 C ATOM 587 O GLU A 37 14.407 18.052 3.010 1.00 0.00 O ATOM 588 CB GLU A 37 16.417 20.360 2.035 1.00 0.00 C ATOM 589 CG GLU A 37 16.467 21.532 1.057 1.00 0.00 C ATOM 590 CD GLU A 37 17.831 21.671 0.376 1.00 0.00 C ATOM 591 OE1 GLU A 37 17.937 22.537 -0.520 1.00 0.00 O ATOM 592 OE2 GLU A 37 18.757 20.915 0.751 1.00 0.00 O ATOM 0 H GLU A 37 15.843 22.023 3.728 1.00 0.00 H new ATOM 0 HA GLU A 37 14.261 20.380 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.227 20.446 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.567 19.423 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.697 21.400 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.235 22.455 1.589 1.00 0.00 H new ATOM 599 N ARG A 38 15.345 19.023 4.814 1.00 0.00 N ATOM 600 CA ARG A 38 15.205 17.849 5.670 1.00 0.00 C ATOM 601 C ARG A 38 13.870 17.864 6.417 1.00 0.00 C ATOM 602 O ARG A 38 13.475 16.852 6.993 1.00 0.00 O ATOM 603 CB ARG A 38 16.390 17.778 6.640 1.00 0.00 C ATOM 604 CG ARG A 38 16.415 18.968 7.598 1.00 0.00 C ATOM 605 CD ARG A 38 17.673 18.938 8.460 1.00 0.00 C ATOM 606 NE ARG A 38 18.879 19.095 7.638 1.00 0.00 N ATOM 607 CZ ARG A 38 20.019 18.418 7.815 1.00 0.00 C ATOM 608 NH1 ARG A 38 20.147 17.532 8.795 1.00 0.00 N ATOM 609 NH2 ARG A 38 21.044 18.633 6.995 1.00 0.00 N ATOM 0 H ARG A 38 15.794 19.819 5.267 1.00 0.00 H new ATOM 0 HA ARG A 38 15.209 16.954 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.335 16.852 7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 38 17.321 17.748 6.074 1.00 0.00 H new ATOM 0 HG2 ARG A 38 16.378 19.898 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.531 18.947 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.628 19.735 9.202 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.721 17.996 9.006 1.00 0.00 H new ATOM 0 HE ARG A 38 18.845 19.771 6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.368 17.357 9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.025 17.026 8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 38 20.958 19.310 6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 38 21.916 18.120 7.124 1.00 0.00 H new ATOM 623 N GLN A 39 13.177 19.006 6.412 1.00 0.00 N ATOM 624 CA GLN A 39 11.884 19.153 7.062 1.00 0.00 C ATOM 625 C GLN A 39 10.757 18.611 6.180 1.00 0.00 C ATOM 626 O GLN A 39 9.735 18.158 6.688 1.00 0.00 O ATOM 627 CB GLN A 39 11.664 20.637 7.365 1.00 0.00 C ATOM 628 CG GLN A 39 10.245 20.944 7.846 1.00 0.00 C ATOM 629 CD GLN A 39 9.868 20.180 9.112 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.721 19.819 9.919 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.575 19.929 9.293 1.00 0.00 N ATOM 0 H GLN A 39 13.504 19.856 5.953 1.00 0.00 H new ATOM 0 HA GLN A 39 11.874 18.576 7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.377 20.957 8.125 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.872 21.220 6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.154 22.014 8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.537 20.697 7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.893 20.243 8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.265 19.422 10.122 1.00 0.00 H new ATOM 640 N PHE A 40 10.952 18.660 4.859 1.00 0.00 N ATOM 641 CA PHE A 40 9.941 18.247 3.899 1.00 0.00 C ATOM 642 C PHE A 40 10.442 17.281 2.825 1.00 0.00 C ATOM 643 O PHE A 40 9.707 16.973 1.887 1.00 0.00 O ATOM 644 CB PHE A 40 9.260 19.476 3.289 1.00 0.00 C ATOM 645 CG PHE A 40 8.455 20.298 4.270 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.786 21.645 4.469 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.388 19.726 4.976 1.00 0.00 C ATOM 648 CE1 PHE A 40 8.048 22.424 5.370 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.651 20.502 5.885 1.00 0.00 C ATOM 650 CZ PHE A 40 6.983 21.853 6.081 1.00 0.00 C ATOM 0 H PHE A 40 11.818 18.988 4.431 1.00 0.00 H new ATOM 0 HA PHE A 40 9.206 17.669 4.459 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.022 20.113 2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.603 19.149 2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.611 22.083 3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.133 18.688 4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.299 23.464 5.517 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.831 20.061 6.432 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.418 22.452 6.780 1.00 0.00 H new ATOM 660 N ASN A 41 11.684 16.807 2.965 1.00 0.00 N ATOM 661 CA ASN A 41 12.343 15.936 1.994 1.00 0.00 C ATOM 662 C ASN A 41 12.421 16.572 0.602 1.00 0.00 C ATOM 663 O ASN A 41 12.654 15.878 -0.388 1.00 0.00 O ATOM 664 CB ASN A 41 11.690 14.549 1.990 1.00 0.00 C ATOM 665 CG ASN A 41 11.754 13.871 3.355 1.00 0.00 C ATOM 666 OD1 ASN A 41 12.558 14.238 4.212 1.00 0.00 O ATOM 667 ND2 ASN A 41 10.905 12.869 3.563 1.00 0.00 N ATOM 0 H ASN A 41 12.268 17.024 3.773 1.00 0.00 H new ATOM 0 HA ASN A 41 13.380 15.803 2.303 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.648 14.642 1.682 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.186 13.919 1.251 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.906 12.377 4.456 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.253 12.593 2.829 1.00 0.00 H new ATOM 674 N CYS A 42 12.225 17.893 0.526 1.00 0.00 N ATOM 675 CA CYS A 42 12.278 18.652 -0.710 1.00 0.00 C ATOM 676 C CYS A 42 13.698 19.143 -0.984 1.00 0.00 C ATOM 677 O CYS A 42 14.608 18.905 -0.189 1.00 0.00 O ATOM 678 CB CYS A 42 11.311 19.833 -0.595 1.00 0.00 C ATOM 679 SG CYS A 42 9.622 19.197 -0.452 1.00 0.00 S ATOM 0 H CYS A 42 12.022 18.468 1.344 1.00 0.00 H new ATOM 0 HA CYS A 42 11.986 18.015 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.560 20.440 0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.398 20.478 -1.469 1.00 0.00 H new ATOM 0 HG CYS A 42 9.582 18.273 0.462 1.00 0.00 H new ATOM 685 N VAL A 43 13.886 19.831 -2.109 1.00 0.00 N ATOM 686 CA VAL A 43 15.147 20.467 -2.460 1.00 0.00 C ATOM 687 C VAL A 43 14.860 21.914 -2.850 1.00 0.00 C ATOM 688 O VAL A 43 13.814 22.192 -3.430 1.00 0.00 O ATOM 689 CB VAL A 43 15.837 19.694 -3.593 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.135 20.381 -4.017 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.160 18.267 -3.146 1.00 0.00 C ATOM 0 H VAL A 43 13.155 19.962 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 43 15.830 20.458 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 43 15.150 19.671 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.602 19.812 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.915 21.390 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.814 20.432 -3.166 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.649 17.732 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.824 18.298 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.238 17.753 -2.876 1.00 0.00 H new ATOM 701 N ILE A 44 15.776 22.835 -2.534 1.00 0.00 N ATOM 702 CA ILE A 44 15.584 24.254 -2.806 1.00 0.00 C ATOM 703 C ILE A 44 16.832 24.841 -3.456 1.00 0.00 C ATOM 704 O ILE A 44 17.951 24.457 -3.114 1.00 0.00 O ATOM 705 CB ILE A 44 15.217 24.992 -1.508 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.917 24.422 -0.931 1.00 0.00 C ATOM 707 CG2 ILE A 44 15.069 26.497 -1.763 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.520 25.092 0.389 1.00 0.00 C ATOM 0 H ILE A 44 16.665 22.615 -2.085 1.00 0.00 H new ATOM 0 HA ILE A 44 14.759 24.380 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 44 16.021 24.845 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.114 24.551 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.033 23.350 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.809 27.000 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.010 26.896 -2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.282 26.666 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.593 24.652 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.309 24.941 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.375 26.160 0.226 1.00 0.00 H new ATOM 720 N THR A 45 16.639 25.776 -4.390 1.00 0.00 N ATOM 721 CA THR A 45 17.731 26.432 -5.099 1.00 0.00 C ATOM 722 C THR A 45 17.550 27.927 -5.318 1.00 0.00 C ATOM 723 O THR A 45 16.680 28.341 -6.080 1.00 0.00 O ATOM 724 CB THR A 45 18.072 25.709 -6.406 1.00 0.00 C ATOM 725 OG1 THR A 45 17.908 24.312 -6.282 1.00 0.00 O ATOM 726 CG2 THR A 45 19.503 26.027 -6.833 1.00 0.00 C ATOM 0 H THR A 45 15.714 26.098 -4.674 1.00 0.00 H new ATOM 0 HA THR A 45 18.583 26.352 -4.424 1.00 0.00 H new ATOM 0 HB THR A 45 17.381 26.066 -7.170 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.132 23.880 -7.133 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.730 25.506 -7.763 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.607 27.101 -6.985 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.195 25.701 -6.057 1.00 0.00 H new ATOM 734 N VAL A 46 18.374 28.742 -4.652 1.00 0.00 N ATOM 735 CA VAL A 46 18.377 30.183 -4.866 1.00 0.00 C ATOM 736 C VAL A 46 19.190 30.514 -6.114 1.00 0.00 C ATOM 737 O VAL A 46 20.173 29.834 -6.407 1.00 0.00 O ATOM 738 CB VAL A 46 18.902 30.917 -3.625 1.00 0.00 C ATOM 739 CG1 VAL A 46 18.815 32.431 -3.829 1.00 0.00 C ATOM 740 CG2 VAL A 46 18.077 30.538 -2.393 1.00 0.00 C ATOM 0 H VAL A 46 19.049 28.421 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 46 17.355 30.527 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 46 19.941 30.625 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.191 32.940 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.416 32.717 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 46 17.777 32.716 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 46 18.462 31.067 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.035 30.814 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.146 29.463 -2.225 1.00 0.00 H new ATOM 750 N HIS A 47 18.782 31.551 -6.850 1.00 0.00 N ATOM 751 CA HIS A 47 19.428 31.931 -8.098 1.00 0.00 C ATOM 752 C HIS A 47 19.778 33.416 -8.118 1.00 0.00 C ATOM 753 O HIS A 47 19.171 34.194 -8.850 1.00 0.00 O ATOM 754 CB HIS A 47 18.522 31.522 -9.258 1.00 0.00 C ATOM 755 CG HIS A 47 18.490 30.032 -9.459 1.00 0.00 C ATOM 756 ND1 HIS A 47 19.542 29.245 -9.894 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.411 29.218 -9.274 1.00 0.00 C ATOM 758 CE1 HIS A 47 19.099 27.975 -9.977 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.804 27.936 -9.613 1.00 0.00 N ATOM 0 H HIS A 47 17.995 32.147 -6.593 1.00 0.00 H new ATOM 0 HA HIS A 47 20.379 31.408 -8.198 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.511 31.883 -9.071 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.868 32.003 -10.173 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.433 29.518 -8.928 1.00 0.00 H new ATOM 0 HE1 HIS A 47 19.689 27.125 -10.286 1.00 0.00 H new ATOM 0 HE2 HIS A 47 17.214 27.104 -9.591 1.00 0.00 H new ATOM 768 N THR A 48 20.767 33.805 -7.304 1.00 0.00 N ATOM 769 CA THR A 48 21.241 35.180 -7.228 1.00 0.00 C ATOM 770 C THR A 48 21.880 35.722 -8.507 1.00 0.00 C ATOM 771 O THR A 48 22.198 36.907 -8.581 1.00 0.00 O ATOM 772 CB THR A 48 22.123 35.421 -5.997 1.00 0.00 C ATOM 773 OG1 THR A 48 23.474 35.174 -6.329 1.00 0.00 O ATOM 774 CG2 THR A 48 21.753 34.528 -4.812 1.00 0.00 C ATOM 0 H THR A 48 21.259 33.167 -6.679 1.00 0.00 H new ATOM 0 HA THR A 48 20.331 35.769 -7.111 1.00 0.00 H new ATOM 0 HB THR A 48 21.966 36.458 -5.699 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.038 35.330 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.413 34.746 -3.972 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.720 34.719 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.862 33.482 -5.097 1.00 0.00 H new ATOM 782 N GLU A 49 22.070 34.864 -9.512 1.00 0.00 N ATOM 783 CA GLU A 49 22.602 35.270 -10.807 1.00 0.00 C ATOM 784 C GLU A 49 21.554 36.081 -11.568 1.00 0.00 C ATOM 785 O GLU A 49 21.881 36.828 -12.490 1.00 0.00 O ATOM 786 CB GLU A 49 22.954 34.029 -11.641 1.00 0.00 C ATOM 787 CG GLU A 49 23.926 33.092 -10.923 1.00 0.00 C ATOM 788 CD GLU A 49 23.252 32.126 -9.947 1.00 0.00 C ATOM 789 OE1 GLU A 49 22.005 32.144 -9.852 1.00 0.00 O ATOM 790 OE2 GLU A 49 24.001 31.366 -9.295 1.00 0.00 O ATOM 0 H GLU A 49 21.858 33.868 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 49 23.494 35.874 -10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 49 22.040 33.485 -11.879 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.392 34.345 -12.588 1.00 0.00 H new ATOM 0 HG2 GLU A 49 24.476 32.516 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 49 24.657 33.690 -10.379 1.00 0.00 H new ATOM 797 N VAL A 50 20.289 35.931 -11.170 1.00 0.00 N ATOM 798 CA VAL A 50 19.150 36.565 -11.813 1.00 0.00 C ATOM 799 C VAL A 50 18.769 37.867 -11.119 1.00 0.00 C ATOM 800 O VAL A 50 19.048 38.046 -9.938 1.00 0.00 O ATOM 801 CB VAL A 50 17.978 35.580 -11.857 1.00 0.00 C ATOM 802 CG1 VAL A 50 16.816 36.122 -12.691 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.439 34.232 -12.427 1.00 0.00 C ATOM 0 H VAL A 50 20.028 35.351 -10.373 1.00 0.00 H new ATOM 0 HA VAL A 50 19.422 36.829 -12.835 1.00 0.00 H new ATOM 0 HB VAL A 50 17.626 35.443 -10.835 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.004 35.395 -12.699 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.462 37.057 -12.257 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.153 36.300 -13.712 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.597 33.541 -12.453 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.822 34.376 -13.437 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.227 33.820 -11.796 1.00 0.00 H new ATOM 813 N GLN A 51 18.130 38.772 -11.863 1.00 0.00 N ATOM 814 CA GLN A 51 17.668 40.042 -11.328 1.00 0.00 C ATOM 815 C GLN A 51 16.380 40.461 -12.032 1.00 0.00 C ATOM 816 O GLN A 51 16.362 40.631 -13.252 1.00 0.00 O ATOM 817 CB GLN A 51 18.777 41.087 -11.490 1.00 0.00 C ATOM 818 CG GLN A 51 18.307 42.471 -11.034 1.00 0.00 C ATOM 819 CD GLN A 51 19.447 43.484 -11.026 1.00 0.00 C ATOM 820 OE1 GLN A 51 20.604 43.150 -11.271 1.00 0.00 O ATOM 821 NE2 GLN A 51 19.126 44.742 -10.740 1.00 0.00 N ATOM 0 H GLN A 51 17.921 38.639 -12.853 1.00 0.00 H new ATOM 0 HA GLN A 51 17.443 39.948 -10.266 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.650 40.787 -10.910 1.00 0.00 H new ATOM 0 HB3 GLN A 51 19.088 41.132 -12.534 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.514 42.821 -11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 51 17.879 42.398 -10.034 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.156 44.988 -10.541 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.849 45.461 -10.720 1.00 0.00 H new ATOM 830 N SER A 52 15.308 40.625 -11.255 1.00 0.00 N ATOM 831 CA SER A 52 14.009 41.045 -11.758 1.00 0.00 C ATOM 832 C SER A 52 13.993 42.542 -12.056 1.00 0.00 C ATOM 833 O SER A 52 14.988 43.240 -11.864 1.00 0.00 O ATOM 834 CB SER A 52 12.947 40.714 -10.713 1.00 0.00 C ATOM 835 OG SER A 52 13.082 41.578 -9.606 1.00 0.00 O ATOM 0 H SER A 52 15.323 40.467 -10.247 1.00 0.00 H new ATOM 0 HA SER A 52 13.801 40.516 -12.688 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.952 40.816 -11.147 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.050 39.677 -10.392 1.00 0.00 H new ATOM 0 HG SER A 52 12.205 41.717 -9.190 1.00 0.00 H new ATOM 841 N SER A 53 12.848 43.043 -12.525 1.00 0.00 N ATOM 842 CA SER A 53 12.666 44.464 -12.803 1.00 0.00 C ATOM 843 C SER A 53 12.593 45.278 -11.510 1.00 0.00 C ATOM 844 O SER A 53 12.416 46.494 -11.551 1.00 0.00 O ATOM 845 CB SER A 53 11.402 44.674 -13.634 1.00 0.00 C ATOM 846 OG SER A 53 11.563 44.088 -14.909 1.00 0.00 O ATOM 0 H SER A 53 12.024 42.474 -12.721 1.00 0.00 H new ATOM 0 HA SER A 53 13.530 44.814 -13.369 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.545 44.232 -13.126 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.197 45.740 -13.737 1.00 0.00 H new ATOM 0 HG SER A 53 10.749 44.224 -15.437 1.00 0.00 H new ATOM 852 N PHE A 54 12.732 44.599 -10.364 1.00 0.00 N ATOM 853 CA PHE A 54 12.716 45.198 -9.039 1.00 0.00 C ATOM 854 C PHE A 54 13.871 44.815 -8.116 1.00 0.00 C ATOM 855 O PHE A 54 13.841 45.101 -6.921 1.00 0.00 O ATOM 856 CB PHE A 54 11.317 45.155 -8.415 1.00 0.00 C ATOM 857 CG PHE A 54 10.566 43.870 -8.685 1.00 0.00 C ATOM 858 CD1 PHE A 54 10.804 42.736 -7.896 1.00 0.00 C ATOM 859 CD2 PHE A 54 9.631 43.807 -9.729 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.108 41.543 -8.146 1.00 0.00 C ATOM 861 CE2 PHE A 54 8.942 42.609 -9.984 1.00 0.00 C ATOM 862 CZ PHE A 54 9.179 41.480 -9.190 1.00 0.00 C ATOM 0 H PHE A 54 12.862 43.588 -10.341 1.00 0.00 H new ATOM 0 HA PHE A 54 12.939 46.254 -9.192 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.406 45.293 -7.337 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.733 45.993 -8.797 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.525 42.780 -7.093 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.441 44.679 -10.337 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.290 40.673 -7.532 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.229 42.559 -10.793 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.645 40.561 -9.384 1.00 0.00 H new ATOM 872 N GLY A 55 14.895 44.166 -8.681 1.00 0.00 N ATOM 873 CA GLY A 55 16.114 43.809 -7.966 1.00 0.00 C ATOM 874 C GLY A 55 15.998 42.515 -7.160 1.00 0.00 C ATOM 875 O GLY A 55 16.974 42.106 -6.532 1.00 0.00 O ATOM 0 H GLY A 55 14.896 43.873 -9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.929 43.708 -8.683 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.381 44.623 -7.292 1.00 0.00 H new ATOM 879 N ALA A 56 14.830 41.870 -7.167 1.00 0.00 N ATOM 880 CA ALA A 56 14.605 40.657 -6.396 1.00 0.00 C ATOM 881 C ALA A 56 15.341 39.464 -7.000 1.00 0.00 C ATOM 882 O ALA A 56 15.775 39.503 -8.151 1.00 0.00 O ATOM 883 CB ALA A 56 13.106 40.387 -6.318 1.00 0.00 C ATOM 0 H ALA A 56 14.020 42.176 -7.706 1.00 0.00 H new ATOM 0 HA ALA A 56 15.003 40.800 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.929 39.479 -5.741 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.610 41.227 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.706 40.261 -7.324 1.00 0.00 H new ATOM 889 N THR A 57 15.480 38.398 -6.207 1.00 0.00 N ATOM 890 CA THR A 57 16.176 37.186 -6.609 1.00 0.00 C ATOM 891 C THR A 57 15.135 36.065 -6.566 1.00 0.00 C ATOM 892 O THR A 57 14.401 35.943 -5.583 1.00 0.00 O ATOM 893 CB THR A 57 17.286 36.916 -5.591 1.00 0.00 C ATOM 894 OG1 THR A 57 18.395 37.741 -5.882 1.00 0.00 O ATOM 895 CG2 THR A 57 17.748 35.463 -5.624 1.00 0.00 C ATOM 0 H THR A 57 15.106 38.358 -5.259 1.00 0.00 H new ATOM 0 HA THR A 57 16.620 37.263 -7.602 1.00 0.00 H new ATOM 0 HB THR A 57 16.884 37.129 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 57 19.108 37.572 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.536 35.315 -4.886 1.00 0.00 H new ATOM 0 HG22 THR A 57 16.907 34.809 -5.393 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.131 35.225 -6.617 1.00 0.00 H new ATOM 903 N PRO A 58 15.058 35.236 -7.614 1.00 0.00 N ATOM 904 CA PRO A 58 14.151 34.105 -7.680 1.00 0.00 C ATOM 905 C PRO A 58 14.713 32.899 -6.932 1.00 0.00 C ATOM 906 O PRO A 58 15.918 32.800 -6.695 1.00 0.00 O ATOM 907 CB PRO A 58 14.008 33.810 -9.168 1.00 0.00 C ATOM 908 CG PRO A 58 15.393 34.161 -9.708 1.00 0.00 C ATOM 909 CD PRO A 58 15.833 35.337 -8.837 1.00 0.00 C ATOM 0 HA PRO A 58 13.192 34.323 -7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.753 32.766 -9.352 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.227 34.415 -9.629 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.081 33.320 -9.623 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.354 34.436 -10.762 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.902 35.290 -8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.648 36.286 -9.340 1.00 0.00 H new ATOM 917 N VAL A 59 13.822 31.979 -6.566 1.00 0.00 N ATOM 918 CA VAL A 59 14.150 30.736 -5.886 1.00 0.00 C ATOM 919 C VAL A 59 13.314 29.597 -6.460 1.00 0.00 C ATOM 920 O VAL A 59 12.160 29.804 -6.821 1.00 0.00 O ATOM 921 CB VAL A 59 13.949 30.857 -4.369 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.514 29.634 -3.649 1.00 0.00 C ATOM 923 CG2 VAL A 59 14.616 32.114 -3.814 1.00 0.00 C ATOM 0 H VAL A 59 12.823 32.085 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 59 15.205 30.518 -6.054 1.00 0.00 H new ATOM 0 HB VAL A 59 12.875 30.922 -4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.361 29.741 -2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.004 28.737 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.581 29.550 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.453 32.167 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.686 32.078 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.185 32.995 -4.290 1.00 0.00 H new ATOM 933 N GLU A 60 13.896 28.402 -6.544 1.00 0.00 N ATOM 934 CA GLU A 60 13.215 27.224 -7.064 1.00 0.00 C ATOM 935 C GLU A 60 13.092 26.146 -5.996 1.00 0.00 C ATOM 936 O GLU A 60 13.885 26.103 -5.055 1.00 0.00 O ATOM 937 CB GLU A 60 13.951 26.692 -8.293 1.00 0.00 C ATOM 938 CG GLU A 60 13.843 27.681 -9.457 1.00 0.00 C ATOM 939 CD GLU A 60 14.728 27.284 -10.639 1.00 0.00 C ATOM 940 OE1 GLU A 60 15.569 26.374 -10.465 1.00 0.00 O ATOM 941 OE2 GLU A 60 14.558 27.899 -11.715 1.00 0.00 O ATOM 0 H GLU A 60 14.857 28.226 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 60 12.206 27.512 -7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.000 26.522 -8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.531 25.730 -8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.806 27.740 -9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.125 28.676 -9.113 1.00 0.00 H new ATOM 948 N ILE A 61 12.092 25.273 -6.144 1.00 0.00 N ATOM 949 CA ILE A 61 11.843 24.184 -5.213 1.00 0.00 C ATOM 950 C ILE A 61 11.508 22.924 -6.002 1.00 0.00 C ATOM 951 O ILE A 61 10.906 23.009 -7.075 1.00 0.00 O ATOM 952 CB ILE A 61 10.705 24.557 -4.247 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.970 25.929 -3.608 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.504 23.469 -3.189 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.830 26.372 -2.691 1.00 0.00 C ATOM 0 H ILE A 61 11.431 25.308 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 61 12.734 23.998 -4.614 1.00 0.00 H new ATOM 0 HB ILE A 61 9.778 24.628 -4.816 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.898 25.888 -3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.111 26.672 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.694 23.758 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.252 22.528 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.422 23.345 -2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.065 27.347 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.906 26.440 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.705 25.645 -1.889 1.00 0.00 H new ATOM 967 N VAL A 62 11.895 21.762 -5.475 1.00 0.00 N ATOM 968 CA VAL A 62 11.630 20.470 -6.098 1.00 0.00 C ATOM 969 C VAL A 62 11.169 19.472 -5.043 1.00 0.00 C ATOM 970 O VAL A 62 11.658 19.486 -3.914 1.00 0.00 O ATOM 971 CB VAL A 62 12.880 19.963 -6.825 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.609 18.616 -7.494 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.342 20.958 -7.891 1.00 0.00 C ATOM 0 H VAL A 62 12.406 21.693 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 62 10.836 20.584 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 62 13.664 19.850 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.510 18.275 -8.004 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.322 17.885 -6.738 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.802 18.725 -8.218 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.231 20.571 -8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.548 21.101 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.577 21.913 -7.420 1.00 0.00 H new ATOM 983 N ALA A 63 10.227 18.599 -5.409 1.00 0.00 N ATOM 984 CA ALA A 63 9.689 17.600 -4.498 1.00 0.00 C ATOM 985 C ALA A 63 9.049 16.446 -5.271 1.00 0.00 C ATOM 986 O ALA A 63 8.831 16.540 -6.478 1.00 0.00 O ATOM 987 CB ALA A 63 8.639 18.259 -3.611 1.00 0.00 C ATOM 0 H ALA A 63 9.820 18.569 -6.344 1.00 0.00 H new ATOM 0 HA ALA A 63 10.502 17.199 -3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.228 17.520 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.098 19.068 -3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.839 18.661 -4.232 1.00 0.00 H new ATOM 993 N GLN A 64 8.747 15.354 -4.565 1.00 0.00 N ATOM 994 CA GLN A 64 8.090 14.203 -5.162 1.00 0.00 C ATOM 995 C GLN A 64 6.625 14.510 -5.477 1.00 0.00 C ATOM 996 O GLN A 64 6.057 13.920 -6.394 1.00 0.00 O ATOM 997 CB GLN A 64 8.203 13.028 -4.175 1.00 0.00 C ATOM 998 CG GLN A 64 7.494 11.764 -4.677 1.00 0.00 C ATOM 999 CD GLN A 64 8.103 11.212 -5.962 1.00 0.00 C ATOM 1000 OE1 GLN A 64 9.203 11.585 -6.361 1.00 0.00 O ATOM 1001 NE2 GLN A 64 7.384 10.313 -6.625 1.00 0.00 N ATOM 0 H GLN A 64 8.952 15.249 -3.571 1.00 0.00 H new ATOM 0 HA GLN A 64 8.572 13.948 -6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.256 12.805 -4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.777 13.322 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.536 10.998 -3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.441 11.988 -4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.474 10.024 -6.267 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.742 9.912 -7.492 1.00 0.00 H new ATOM 1010 N ASN A 65 6.019 15.429 -4.720 1.00 0.00 N ATOM 1011 CA ASN A 65 4.614 15.782 -4.861 1.00 0.00 C ATOM 1012 C ASN A 65 4.329 17.152 -4.247 1.00 0.00 C ATOM 1013 O ASN A 65 5.109 17.651 -3.434 1.00 0.00 O ATOM 1014 CB ASN A 65 3.749 14.683 -4.238 1.00 0.00 C ATOM 1015 CG ASN A 65 4.201 14.310 -2.831 1.00 0.00 C ATOM 1016 OD1 ASN A 65 5.278 13.754 -2.634 1.00 0.00 O ATOM 1017 ND2 ASN A 65 3.377 14.613 -1.834 1.00 0.00 N ATOM 0 H ASN A 65 6.499 15.951 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 65 4.364 15.857 -5.919 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.712 15.016 -4.206 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.780 13.797 -4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.633 14.384 -0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.489 15.075 -2.029 1.00 0.00 H new ATOM 1024 N LYS A 66 3.209 17.775 -4.630 1.00 0.00 N ATOM 1025 CA LYS A 66 2.890 19.145 -4.232 1.00 0.00 C ATOM 1026 C LYS A 66 2.493 19.276 -2.763 1.00 0.00 C ATOM 1027 O LYS A 66 2.581 20.369 -2.208 1.00 0.00 O ATOM 1028 CB LYS A 66 1.782 19.706 -5.128 1.00 0.00 C ATOM 1029 CG LYS A 66 2.289 19.837 -6.567 1.00 0.00 C ATOM 1030 CD LYS A 66 1.270 20.557 -7.450 1.00 0.00 C ATOM 1031 CE LYS A 66 -0.038 19.775 -7.563 1.00 0.00 C ATOM 1032 NZ LYS A 66 0.167 18.479 -8.238 1.00 0.00 N ATOM 0 H LYS A 66 2.501 17.342 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 66 3.805 19.725 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.912 19.050 -5.098 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.460 20.679 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.232 20.384 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.492 18.847 -6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.068 21.546 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.692 20.705 -8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.451 19.608 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.769 20.364 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.513 18.383 -9.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.136 18.433 -8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.023 17.706 -7.557 1.00 0.00 H new ATOM 1046 N GLU A 67 2.062 18.186 -2.124 1.00 0.00 N ATOM 1047 CA GLU A 67 1.686 18.219 -0.714 1.00 0.00 C ATOM 1048 C GLU A 67 2.903 18.459 0.183 1.00 0.00 C ATOM 1049 O GLU A 67 2.764 18.549 1.401 1.00 0.00 O ATOM 1050 CB GLU A 67 0.963 16.933 -0.302 1.00 0.00 C ATOM 1051 CG GLU A 67 -0.353 16.733 -1.064 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.170 16.106 -2.443 1.00 0.00 C ATOM 1053 OE1 GLU A 67 0.987 15.784 -2.799 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -1.195 15.950 -3.145 1.00 0.00 O ATOM 0 H GLU A 67 1.966 17.271 -2.563 1.00 0.00 H new ATOM 0 HA GLU A 67 0.998 19.054 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.616 16.079 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.759 16.961 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.014 16.101 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.849 17.697 -1.175 1.00 0.00 H new ATOM 1061 N GLN A 68 4.095 18.567 -0.413 1.00 0.00 N ATOM 1062 CA GLN A 68 5.321 18.871 0.314 1.00 0.00 C ATOM 1063 C GLN A 68 6.063 20.031 -0.347 1.00 0.00 C ATOM 1064 O GLN A 68 6.809 20.738 0.327 1.00 0.00 O ATOM 1065 CB GLN A 68 6.204 17.619 0.362 1.00 0.00 C ATOM 1066 CG GLN A 68 5.505 16.478 1.103 1.00 0.00 C ATOM 1067 CD GLN A 68 6.267 15.159 0.983 1.00 0.00 C ATOM 1068 OE1 GLN A 68 5.659 14.099 0.879 1.00 0.00 O ATOM 1069 NE2 GLN A 68 7.596 15.203 0.997 1.00 0.00 N ATOM 0 H GLN A 68 4.232 18.445 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 68 5.072 19.172 1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.447 17.303 -0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.146 17.854 0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.401 16.741 2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.498 16.351 0.705 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.076 16.099 1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.136 14.341 0.920 1.00 0.00 H new ATOM 1078 N CYS A 69 5.870 20.242 -1.655 1.00 0.00 N ATOM 1079 CA CYS A 69 6.547 21.321 -2.358 1.00 0.00 C ATOM 1080 C CYS A 69 5.949 22.656 -1.917 1.00 0.00 C ATOM 1081 O CYS A 69 6.669 23.643 -1.779 1.00 0.00 O ATOM 1082 CB CYS A 69 6.350 21.121 -3.863 1.00 0.00 C ATOM 1083 SG CYS A 69 7.573 22.105 -4.768 1.00 0.00 S ATOM 0 H CYS A 69 5.252 19.679 -2.239 1.00 0.00 H new ATOM 0 HA CYS A 69 7.613 21.319 -2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.456 20.066 -4.117 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.342 21.419 -4.151 1.00 0.00 H new ATOM 0 HG CYS A 69 7.408 21.934 -6.046 1.00 0.00 H new ATOM 1089 N GLN A 70 4.630 22.691 -1.692 1.00 0.00 N ATOM 1090 CA GLN A 70 3.953 23.899 -1.241 1.00 0.00 C ATOM 1091 C GLN A 70 4.330 24.214 0.203 1.00 0.00 C ATOM 1092 O GLN A 70 4.411 25.382 0.581 1.00 0.00 O ATOM 1093 CB GLN A 70 2.439 23.716 -1.350 1.00 0.00 C ATOM 1094 CG GLN A 70 1.975 23.485 -2.791 1.00 0.00 C ATOM 1095 CD GLN A 70 2.108 24.722 -3.669 1.00 0.00 C ATOM 1096 OE1 GLN A 70 2.473 25.802 -3.205 1.00 0.00 O ATOM 1097 NE2 GLN A 70 1.805 24.571 -4.954 1.00 0.00 N ATOM 0 H GLN A 70 4.013 21.889 -1.818 1.00 0.00 H new ATOM 0 HA GLN A 70 4.264 24.730 -1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.134 22.870 -0.734 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.940 24.598 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.557 22.673 -3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.934 23.163 -2.783 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.506 23.661 -5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.872 25.365 -5.590 1.00 0.00 H new ATOM 1106 N GLU A 71 4.561 23.183 1.019 1.00 0.00 N ATOM 1107 CA GLU A 71 4.925 23.387 2.412 1.00 0.00 C ATOM 1108 C GLU A 71 6.343 23.941 2.497 1.00 0.00 C ATOM 1109 O GLU A 71 6.655 24.704 3.409 1.00 0.00 O ATOM 1110 CB GLU A 71 4.823 22.062 3.169 1.00 0.00 C ATOM 1111 CG GLU A 71 3.424 21.449 3.086 1.00 0.00 C ATOM 1112 CD GLU A 71 2.345 22.308 3.741 1.00 0.00 C ATOM 1113 OE1 GLU A 71 1.154 22.001 3.516 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.701 23.269 4.462 1.00 0.00 O ATOM 0 H GLU A 71 4.501 22.205 0.736 1.00 0.00 H new ATOM 0 HA GLU A 71 4.241 24.104 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.550 21.358 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.085 22.223 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.166 21.291 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.436 20.469 3.562 1.00 0.00 H new ATOM 1121 N ALA A 72 7.205 23.564 1.549 1.00 0.00 N ATOM 1122 CA ALA A 72 8.565 24.067 1.500 1.00 0.00 C ATOM 1123 C ALA A 72 8.607 25.483 0.918 1.00 0.00 C ATOM 1124 O ALA A 72 9.570 26.211 1.154 1.00 0.00 O ATOM 1125 CB ALA A 72 9.413 23.111 0.662 1.00 0.00 C ATOM 0 H ALA A 72 6.975 22.907 0.803 1.00 0.00 H new ATOM 0 HA ALA A 72 8.967 24.121 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.438 23.478 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.402 22.121 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.005 23.052 -0.347 1.00 0.00 H new ATOM 1131 N ARG A 73 7.576 25.879 0.162 1.00 0.00 N ATOM 1132 CA ARG A 73 7.488 27.226 -0.392 1.00 0.00 C ATOM 1133 C ARG A 73 6.969 28.198 0.655 1.00 0.00 C ATOM 1134 O ARG A 73 7.558 29.253 0.880 1.00 0.00 O ATOM 1135 CB ARG A 73 6.541 27.220 -1.593 1.00 0.00 C ATOM 1136 CG ARG A 73 6.453 28.611 -2.223 1.00 0.00 C ATOM 1137 CD ARG A 73 5.202 28.708 -3.096 1.00 0.00 C ATOM 1138 NE ARG A 73 5.118 30.018 -3.755 1.00 0.00 N ATOM 1139 CZ ARG A 73 4.521 31.081 -3.213 1.00 0.00 C ATOM 1140 NH1 ARG A 73 3.990 30.997 -1.998 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.451 32.229 -3.880 1.00 0.00 N ATOM 0 H ARG A 73 6.788 25.277 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 73 8.483 27.544 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.891 26.502 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.549 26.895 -1.278 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.423 29.372 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.342 28.805 -2.823 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.218 27.919 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.314 28.548 -2.484 1.00 0.00 H new ATOM 0 HE ARG A 73 5.539 30.121 -4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.039 30.120 -1.480 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.534 31.810 -1.584 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.856 32.302 -4.814 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.993 33.037 -3.458 1.00 0.00 H new ATOM 1155 N ASN A 74 5.858 27.839 1.301 1.00 0.00 N ATOM 1156 CA ASN A 74 5.184 28.715 2.244 1.00 0.00 C ATOM 1157 C ASN A 74 5.958 28.837 3.555 1.00 0.00 C ATOM 1158 O ASN A 74 5.693 29.738 4.350 1.00 0.00 O ATOM 1159 CB ASN A 74 3.759 28.200 2.442 1.00 0.00 C ATOM 1160 CG ASN A 74 2.969 28.299 1.143 1.00 0.00 C ATOM 1161 OD1 ASN A 74 3.097 29.274 0.404 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.149 27.298 0.848 1.00 0.00 N ATOM 0 H ASN A 74 5.406 26.933 1.181 1.00 0.00 H new ATOM 0 HA ASN A 74 5.139 29.728 1.845 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.784 27.164 2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.262 28.778 3.221 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.602 27.323 -0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.065 26.503 1.482 1.00 0.00 H new ATOM 1169 N ALA A 75 6.923 27.936 3.787 1.00 0.00 N ATOM 1170 CA ALA A 75 7.819 28.026 4.928 1.00 0.00 C ATOM 1171 C ALA A 75 8.902 29.083 4.689 1.00 0.00 C ATOM 1172 O ALA A 75 9.707 29.354 5.577 1.00 0.00 O ATOM 1173 CB ALA A 75 8.452 26.657 5.180 1.00 0.00 C ATOM 0 H ALA A 75 7.097 27.130 3.186 1.00 0.00 H new ATOM 0 HA ALA A 75 7.248 28.328 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.125 26.719 6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.670 25.927 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.013 26.348 4.298 1.00 0.00 H new ATOM 1179 N VAL A 76 8.921 29.678 3.492 1.00 0.00 N ATOM 1180 CA VAL A 76 9.899 30.689 3.104 1.00 0.00 C ATOM 1181 C VAL A 76 9.243 32.032 2.781 1.00 0.00 C ATOM 1182 O VAL A 76 9.934 33.012 2.507 1.00 0.00 O ATOM 1183 CB VAL A 76 10.778 30.156 1.958 1.00 0.00 C ATOM 1184 CG1 VAL A 76 11.973 31.067 1.676 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.335 28.777 2.309 1.00 0.00 C ATOM 0 H VAL A 76 8.246 29.465 2.758 1.00 0.00 H new ATOM 0 HA VAL A 76 10.551 30.887 3.955 1.00 0.00 H new ATOM 0 HB VAL A 76 10.137 30.112 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.564 30.650 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.617 32.058 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.592 31.143 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.954 28.415 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.938 28.848 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.511 28.083 2.475 1.00 0.00 H new ATOM 1195 N MET A 77 7.908 32.098 2.809 1.00 0.00 N ATOM 1196 CA MET A 77 7.194 33.332 2.508 1.00 0.00 C ATOM 1197 C MET A 77 7.072 34.262 3.715 1.00 0.00 C ATOM 1198 O MET A 77 6.686 35.418 3.546 1.00 0.00 O ATOM 1199 CB MET A 77 5.807 33.009 1.953 1.00 0.00 C ATOM 1200 CG MET A 77 5.854 32.326 0.585 1.00 0.00 C ATOM 1201 SD MET A 77 6.483 33.358 -0.764 1.00 0.00 S ATOM 1202 CE MET A 77 8.197 32.782 -0.823 1.00 0.00 C ATOM 0 H MET A 77 7.304 31.308 3.038 1.00 0.00 H new ATOM 0 HA MET A 77 7.782 33.864 1.760 1.00 0.00 H new ATOM 0 HB2 MET A 77 5.281 32.364 2.657 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.230 33.930 1.873 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.477 31.435 0.662 1.00 0.00 H new ATOM 0 HG3 MET A 77 4.849 31.991 0.328 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.865 33.638 -0.918 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.430 32.239 0.093 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.329 32.121 -1.680 1.00 0.00 H new ATOM 1212 N SER A 78 7.388 33.785 4.921 1.00 0.00 N ATOM 1213 CA SER A 78 7.308 34.625 6.110 1.00 0.00 C ATOM 1214 C SER A 78 8.136 34.080 7.269 1.00 0.00 C ATOM 1215 O SER A 78 8.753 34.852 8.002 1.00 0.00 O ATOM 1216 CB SER A 78 5.843 34.746 6.534 1.00 0.00 C ATOM 1217 OG SER A 78 5.749 35.498 7.724 1.00 0.00 O ATOM 0 H SER A 78 7.699 32.829 5.096 1.00 0.00 H new ATOM 0 HA SER A 78 7.719 35.602 5.857 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.265 35.225 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.416 33.755 6.685 1.00 0.00 H new ATOM 0 HG SER A 78 4.809 35.573 7.990 1.00 0.00 H new ATOM 1223 N LEU A 79 8.159 32.755 7.448 1.00 0.00 N ATOM 1224 CA LEU A 79 8.893 32.152 8.552 1.00 0.00 C ATOM 1225 C LEU A 79 10.377 32.051 8.217 1.00 0.00 C ATOM 1226 O LEU A 79 11.227 32.348 9.054 1.00 0.00 O ATOM 1227 CB LEU A 79 8.325 30.756 8.841 1.00 0.00 C ATOM 1228 CG LEU A 79 6.815 30.780 9.098 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.343 29.357 9.388 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.474 31.669 10.293 1.00 0.00 C ATOM 0 H LEU A 79 7.679 32.088 6.844 1.00 0.00 H new ATOM 0 HA LEU A 79 8.782 32.781 9.435 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.537 30.099 7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.832 30.333 9.709 1.00 0.00 H new ATOM 0 HG LEU A 79 6.317 31.181 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.269 29.361 9.573 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.562 28.719 8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.861 28.974 10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.396 31.667 10.452 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.973 31.288 11.184 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.810 32.687 10.097 1.00 0.00 H new ATOM 1242 N MET A 80 10.670 31.633 6.982 1.00 0.00 N ATOM 1243 CA MET A 80 12.002 31.487 6.414 1.00 0.00 C ATOM 1244 C MET A 80 12.944 30.579 7.207 1.00 0.00 C ATOM 1245 O MET A 80 14.074 30.372 6.771 1.00 0.00 O ATOM 1246 CB MET A 80 12.615 32.865 6.161 1.00 0.00 C ATOM 1247 CG MET A 80 11.666 33.712 5.308 1.00 0.00 C ATOM 1248 SD MET A 80 12.456 35.156 4.561 1.00 0.00 S ATOM 1249 CE MET A 80 13.361 34.292 3.253 1.00 0.00 C ATOM 0 H MET A 80 9.939 31.374 6.319 1.00 0.00 H new ATOM 0 HA MET A 80 11.873 30.966 5.465 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.809 33.365 7.110 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.574 32.758 5.655 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.247 33.089 4.518 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.833 34.044 5.928 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.415 34.567 3.297 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.261 33.215 3.391 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.953 34.573 2.282 1.00 0.00 H new ATOM 1259 N GLN A 81 12.509 30.037 8.351 1.00 0.00 N ATOM 1260 CA GLN A 81 13.315 29.152 9.184 1.00 0.00 C ATOM 1261 C GLN A 81 14.708 29.722 9.473 1.00 0.00 C ATOM 1262 O GLN A 81 15.662 28.966 9.660 1.00 0.00 O ATOM 1263 CB GLN A 81 13.363 27.743 8.581 1.00 0.00 C ATOM 1264 CG GLN A 81 11.961 27.139 8.437 1.00 0.00 C ATOM 1265 CD GLN A 81 11.237 26.992 9.771 1.00 0.00 C ATOM 1266 OE1 GLN A 81 11.851 26.969 10.834 1.00 0.00 O ATOM 1267 NE2 GLN A 81 9.911 26.892 9.720 1.00 0.00 N ATOM 0 H GLN A 81 11.575 30.206 8.724 1.00 0.00 H new ATOM 0 HA GLN A 81 12.829 29.077 10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 81 13.845 27.782 7.604 1.00 0.00 H new ATOM 0 HB3 GLN A 81 13.974 27.098 9.212 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.367 27.768 7.774 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.040 26.161 7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.432 26.915 8.820 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.374 26.793 10.581 1.00 0.00 H new