USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0036 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 9:sc= 0.132! USER MOD Single : A 19 SER OG : rot 180:sc= -0.291 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -116:sc= -3.08 (180deg=-8.77!) USER MOD Single : A 29 SER OG : rot 33:sc= 0.374 USER MOD Single : A 33 SER OG : rot 180:sc=-0.00375 USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.384 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 54 SER OG : rot 101:sc= 0.405 USER MOD Single : A 58 THR OG1 : rot 130:sc= 1.02 USER MOD Single : A 59 ASN : amide:sc= 0.101 K(o=0.1,f=-2.5!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -3.24! C(o=-3.2!,f=-3.4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.657 USER MOD Single : A 72 ASN : amide:sc= -0.303 K(o=-0.3,f=-1.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -9.04! C(o=-9!,f=-10!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -11.994 -15.094 2.677 1.00 0.00 N ATOM 93 CA SER A 9 -10.953 -14.481 3.484 1.00 0.00 C ATOM 94 C SER A 9 -10.182 -13.455 2.652 1.00 0.00 C ATOM 95 O SER A 9 -9.239 -13.807 1.944 1.00 0.00 O ATOM 96 CB SER A 9 -9.997 -15.536 4.044 1.00 0.00 C ATOM 97 OG SER A 9 -9.808 -15.393 5.450 1.00 0.00 O ATOM 0 HA SER A 9 -11.426 -13.975 4.326 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.389 -16.530 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.034 -15.457 3.539 1.00 0.00 H new ATOM 0 HG SER A 9 -9.193 -16.086 5.770 1.00 0.00 H new ATOM 103 N LYS A 10 -10.611 -12.206 2.764 1.00 0.00 N ATOM 104 CA LYS A 10 -9.972 -11.127 2.030 1.00 0.00 C ATOM 105 C LYS A 10 -9.684 -9.967 2.986 1.00 0.00 C ATOM 106 O LYS A 10 -10.221 -9.922 4.092 1.00 0.00 O ATOM 107 CB LYS A 10 -10.817 -10.729 0.818 1.00 0.00 C ATOM 108 CG LYS A 10 -10.270 -11.363 -0.463 1.00 0.00 C ATOM 109 CD LYS A 10 -11.392 -12.011 -1.276 1.00 0.00 C ATOM 110 CE LYS A 10 -10.850 -12.622 -2.569 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.800 -13.618 -3.111 1.00 0.00 N ATOM 0 H LYS A 10 -11.393 -11.918 3.352 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.014 -11.455 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.850 -11.043 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.825 -9.644 0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.772 -10.603 -1.065 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.520 -12.112 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.878 -12.784 -0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.152 -11.266 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.679 -11.837 -3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.887 -13.096 -2.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.416 -14.022 -3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.943 -14.376 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.710 -13.156 -3.312 1.00 0.00 H new ATOM 125 N VAL A 11 -8.838 -9.058 2.525 1.00 0.00 N ATOM 126 CA VAL A 11 -8.473 -7.902 3.325 1.00 0.00 C ATOM 127 C VAL A 11 -8.435 -6.660 2.432 1.00 0.00 C ATOM 128 O VAL A 11 -7.827 -6.679 1.363 1.00 0.00 O ATOM 129 CB VAL A 11 -7.147 -8.161 4.045 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.283 -9.309 5.046 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.024 -8.437 3.043 1.00 0.00 C ATOM 0 H VAL A 11 -8.395 -9.099 1.607 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.219 -7.723 4.099 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.886 -7.261 4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.327 -9.473 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.040 -9.057 5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.578 -10.217 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.093 -8.618 3.580 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.275 -9.315 2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.902 -7.576 2.386 1.00 0.00 H new ATOM 141 N SER A 12 -9.092 -5.611 2.903 1.00 0.00 N ATOM 142 CA SER A 12 -9.142 -4.363 2.161 1.00 0.00 C ATOM 143 C SER A 12 -8.067 -3.404 2.676 1.00 0.00 C ATOM 144 O SER A 12 -7.961 -3.174 3.880 1.00 0.00 O ATOM 145 CB SER A 12 -10.524 -3.715 2.263 1.00 0.00 C ATOM 146 OG SER A 12 -11.055 -3.797 3.583 1.00 0.00 O ATOM 0 H SER A 12 -9.595 -5.600 3.790 1.00 0.00 H new ATOM 0 HA SER A 12 -8.951 -4.583 1.111 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.457 -2.669 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.206 -4.203 1.567 1.00 0.00 H new ATOM 0 HG SER A 12 -11.937 -3.371 3.608 1.00 0.00 H new ATOM 152 N PHE A 13 -7.296 -2.872 1.740 1.00 0.00 N ATOM 153 CA PHE A 13 -6.232 -1.943 2.084 1.00 0.00 C ATOM 154 C PHE A 13 -6.641 -0.502 1.772 1.00 0.00 C ATOM 155 O PHE A 13 -6.769 -0.128 0.608 1.00 0.00 O ATOM 156 CB PHE A 13 -5.020 -2.314 1.228 1.00 0.00 C ATOM 157 CG PHE A 13 -4.773 -3.820 1.118 1.00 0.00 C ATOM 158 CD1 PHE A 13 -4.067 -4.467 2.084 1.00 0.00 C ATOM 159 CD2 PHE A 13 -5.261 -4.512 0.053 1.00 0.00 C ATOM 160 CE1 PHE A 13 -3.839 -5.864 1.981 1.00 0.00 C ATOM 161 CE2 PHE A 13 -5.032 -5.910 -0.050 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.326 -6.557 0.916 1.00 0.00 C ATOM 0 H PHE A 13 -7.386 -3.066 0.743 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.012 -2.007 3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.156 -1.905 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.133 -1.840 1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.680 -3.918 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.822 -3.999 -0.714 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.279 -6.377 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.419 -6.459 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.152 -7.620 0.838 1.00 0.00 H new ATOM 172 N LYS A 14 -6.833 0.268 2.833 1.00 0.00 N ATOM 173 CA LYS A 14 -7.224 1.659 2.687 1.00 0.00 C ATOM 174 C LYS A 14 -5.969 2.525 2.551 1.00 0.00 C ATOM 175 O LYS A 14 -5.368 2.916 3.550 1.00 0.00 O ATOM 176 CB LYS A 14 -8.140 2.082 3.837 1.00 0.00 C ATOM 177 CG LYS A 14 -9.274 2.978 3.334 1.00 0.00 C ATOM 178 CD LYS A 14 -9.819 3.857 4.461 1.00 0.00 C ATOM 179 CE LYS A 14 -11.192 4.427 4.096 1.00 0.00 C ATOM 180 NZ LYS A 14 -12.120 4.317 5.243 1.00 0.00 N ATOM 0 H LYS A 14 -6.725 -0.046 3.798 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.808 1.797 1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.557 1.198 4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.560 2.613 4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.912 3.607 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.076 2.362 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.896 3.273 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.124 4.673 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.092 5.471 3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.599 3.891 3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.047 4.708 4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.229 3.317 5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.738 4.849 6.051 1.00 0.00 H new ATOM 194 N ILE A 15 -5.612 2.800 1.305 1.00 0.00 N ATOM 195 CA ILE A 15 -4.440 3.612 1.024 1.00 0.00 C ATOM 196 C ILE A 15 -4.834 4.767 0.102 1.00 0.00 C ATOM 197 O ILE A 15 -5.832 4.683 -0.613 1.00 0.00 O ATOM 198 CB ILE A 15 -3.306 2.745 0.473 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.151 1.461 1.291 1.00 0.00 C ATOM 200 CG2 ILE A 15 -1.999 3.536 0.395 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.217 0.474 0.589 1.00 0.00 C ATOM 0 H ILE A 15 -6.114 2.475 0.479 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.054 4.054 1.943 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.565 2.450 -0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.757 1.700 2.279 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.128 1.000 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.210 2.896 0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.132 4.395 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.722 3.881 1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.124 -0.430 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.626 0.218 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.235 0.929 0.464 1.00 0.00 H new ATOM 213 N THR A 16 -4.031 5.820 0.148 1.00 0.00 N ATOM 214 CA THR A 16 -4.284 6.991 -0.674 1.00 0.00 C ATOM 215 C THR A 16 -3.015 7.399 -1.426 1.00 0.00 C ATOM 216 O THR A 16 -1.939 7.480 -0.836 1.00 0.00 O ATOM 217 CB THR A 16 -4.836 8.094 0.230 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.115 7.609 0.630 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.148 9.380 -0.538 1.00 0.00 C ATOM 0 H THR A 16 -3.204 5.887 0.742 1.00 0.00 H new ATOM 0 HA THR A 16 -5.027 6.781 -1.444 1.00 0.00 H new ATOM 0 HB THR A 16 -4.116 8.309 1.020 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.543 8.263 1.221 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.537 10.130 0.151 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.237 9.754 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.892 9.173 -1.307 1.00 0.00 H new ATOM 227 N LEU A 17 -3.184 7.645 -2.717 1.00 0.00 N ATOM 228 CA LEU A 17 -2.066 8.042 -3.555 1.00 0.00 C ATOM 229 C LEU A 17 -1.334 9.215 -2.899 1.00 0.00 C ATOM 230 O LEU A 17 -1.756 10.363 -3.024 1.00 0.00 O ATOM 231 CB LEU A 17 -2.541 8.334 -4.980 1.00 0.00 C ATOM 232 CG LEU A 17 -1.461 8.775 -5.970 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.332 7.746 -6.044 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.064 9.064 -7.346 1.00 0.00 C ATOM 0 H LEU A 17 -4.078 7.577 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.348 7.226 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.021 7.438 -5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.304 9.111 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.025 9.706 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.422 8.084 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.122 7.633 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.734 6.787 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.275 9.375 -8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.543 8.163 -7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.804 9.860 -7.259 1.00 0.00 H new ATOM 246 N THR A 18 -0.249 8.885 -2.214 1.00 0.00 N ATOM 247 CA THR A 18 0.546 9.896 -1.538 1.00 0.00 C ATOM 248 C THR A 18 1.514 10.558 -2.520 1.00 0.00 C ATOM 249 O THR A 18 2.709 10.268 -2.511 1.00 0.00 O ATOM 250 CB THR A 18 1.246 9.232 -0.350 1.00 0.00 C ATOM 251 OG1 THR A 18 0.210 8.496 0.295 1.00 0.00 O ATOM 252 CG2 THR A 18 1.697 10.244 0.705 1.00 0.00 C ATOM 0 H THR A 18 0.098 7.931 -2.113 1.00 0.00 H new ATOM 0 HA THR A 18 -0.081 10.701 -1.156 1.00 0.00 H new ATOM 0 HB THR A 18 2.110 8.670 -0.705 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.593 8.501 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.187 9.720 1.525 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.396 10.950 0.256 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.830 10.784 1.086 1.00 0.00 H new ATOM 260 N SER A 19 0.961 11.436 -3.344 1.00 0.00 N ATOM 261 CA SER A 19 1.760 12.142 -4.331 1.00 0.00 C ATOM 262 C SER A 19 0.927 13.244 -4.989 1.00 0.00 C ATOM 263 O SER A 19 1.322 14.409 -4.991 1.00 0.00 O ATOM 264 CB SER A 19 2.301 11.182 -5.392 1.00 0.00 C ATOM 265 OG SER A 19 1.254 10.546 -6.120 1.00 0.00 O ATOM 0 H SER A 19 -0.031 11.674 -3.348 1.00 0.00 H new ATOM 0 HA SER A 19 2.611 12.594 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.942 11.729 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.922 10.425 -4.913 1.00 0.00 H new ATOM 0 HG SER A 19 1.640 9.943 -6.789 1.00 0.00 H new ATOM 271 N ASP A 20 -0.212 12.837 -5.530 1.00 0.00 N ATOM 272 CA ASP A 20 -1.105 13.775 -6.190 1.00 0.00 C ATOM 273 C ASP A 20 -1.746 14.685 -5.140 1.00 0.00 C ATOM 274 O ASP A 20 -1.689 14.397 -3.946 1.00 0.00 O ATOM 275 CB ASP A 20 -2.226 13.042 -6.928 1.00 0.00 C ATOM 276 CG ASP A 20 -1.987 12.834 -8.425 1.00 0.00 C ATOM 277 OD1 ASP A 20 -1.290 11.850 -8.757 1.00 0.00 O ATOM 278 OD2 ASP A 20 -2.506 13.663 -9.203 1.00 0.00 O ATOM 0 H ASP A 20 -0.537 11.870 -5.525 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.520 14.352 -6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.373 12.068 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.153 13.601 -6.798 1.00 0.00 H new ATOM 283 N PRO A 21 -2.357 15.794 -5.637 1.00 0.00 N ATOM 284 CA PRO A 21 -3.008 16.748 -4.756 1.00 0.00 C ATOM 285 C PRO A 21 -4.342 16.201 -4.245 1.00 0.00 C ATOM 286 O PRO A 21 -4.571 16.143 -3.038 1.00 0.00 O ATOM 287 CB PRO A 21 -3.164 18.010 -5.590 1.00 0.00 C ATOM 288 CG PRO A 21 -3.021 17.573 -7.039 1.00 0.00 C ATOM 289 CD PRO A 21 -2.443 16.167 -7.046 1.00 0.00 C ATOM 0 HA PRO A 21 -2.430 16.951 -3.854 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.134 18.475 -5.416 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.405 18.748 -5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.989 17.591 -7.540 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.368 18.257 -7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.082 15.479 -7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.463 16.144 -7.522 1.00 0.00 H new ATOM 297 N ARG A 22 -5.186 15.812 -5.188 1.00 0.00 N ATOM 298 CA ARG A 22 -6.491 15.271 -4.848 1.00 0.00 C ATOM 299 C ARG A 22 -6.360 14.231 -3.733 1.00 0.00 C ATOM 300 O ARG A 22 -7.166 14.207 -2.805 1.00 0.00 O ATOM 301 CB ARG A 22 -7.153 14.622 -6.066 1.00 0.00 C ATOM 302 CG ARG A 22 -7.429 15.659 -7.157 1.00 0.00 C ATOM 303 CD ARG A 22 -8.458 15.137 -8.162 1.00 0.00 C ATOM 304 NE ARG A 22 -9.730 15.879 -8.015 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.804 15.690 -8.794 1.00 0.00 C ATOM 306 NH1 ARG A 22 -10.766 14.782 -9.779 1.00 0.00 N ATOM 307 NH2 ARG A 22 -11.916 16.408 -8.587 1.00 0.00 N ATOM 0 H ARG A 22 -4.992 15.861 -6.188 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.114 16.098 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.508 13.837 -6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.087 14.146 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.793 16.581 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.501 15.903 -7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.077 15.250 -9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.628 14.072 -8.002 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.793 16.578 -7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.920 14.235 -9.936 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.583 14.638 -10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.945 17.098 -7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.734 16.264 -9.180 1.00 0.00 H new ATOM 321 N LEU A 23 -5.339 13.397 -3.863 1.00 0.00 N ATOM 322 CA LEU A 23 -5.093 12.357 -2.878 1.00 0.00 C ATOM 323 C LEU A 23 -6.322 11.453 -2.779 1.00 0.00 C ATOM 324 O LEU A 23 -6.973 11.396 -1.736 1.00 0.00 O ATOM 325 CB LEU A 23 -4.673 12.974 -1.542 1.00 0.00 C ATOM 326 CG LEU A 23 -3.411 12.393 -0.902 1.00 0.00 C ATOM 327 CD1 LEU A 23 -2.153 12.909 -1.604 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.382 12.669 0.603 1.00 0.00 C ATOM 0 H LEU A 23 -4.673 13.420 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.259 11.727 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.522 14.043 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.498 12.863 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.430 11.311 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.270 12.481 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.177 12.619 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.114 13.996 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.475 12.245 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.397 13.745 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.253 12.213 1.073 1.00 0.00 H new ATOM 340 N PRO A 24 -6.611 10.749 -3.906 1.00 0.00 N ATOM 341 CA PRO A 24 -7.751 9.850 -3.956 1.00 0.00 C ATOM 342 C PRO A 24 -7.467 8.561 -3.183 1.00 0.00 C ATOM 343 O PRO A 24 -6.311 8.172 -3.021 1.00 0.00 O ATOM 344 CB PRO A 24 -8.000 9.613 -5.437 1.00 0.00 C ATOM 345 CG PRO A 24 -6.715 10.009 -6.145 1.00 0.00 C ATOM 346 CD PRO A 24 -5.862 10.792 -5.159 1.00 0.00 C ATOM 0 HA PRO A 24 -8.638 10.267 -3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.246 8.569 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.841 10.209 -5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.182 9.124 -6.492 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.935 10.614 -7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.875 10.344 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.710 11.818 -5.494 1.00 0.00 H new ATOM 354 N TYR A 25 -8.541 7.933 -2.727 1.00 0.00 N ATOM 355 CA TYR A 25 -8.421 6.695 -1.975 1.00 0.00 C ATOM 356 C TYR A 25 -9.135 5.547 -2.691 1.00 0.00 C ATOM 357 O TYR A 25 -10.089 5.772 -3.435 1.00 0.00 O ATOM 358 CB TYR A 25 -9.109 6.949 -0.633 1.00 0.00 C ATOM 359 CG TYR A 25 -10.629 6.779 -0.670 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.426 7.798 -1.152 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.203 5.607 -0.222 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.857 7.637 -1.187 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.634 5.446 -0.257 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.390 6.469 -0.738 1.00 0.00 C ATOM 365 OH TYR A 25 -14.741 6.318 -0.771 1.00 0.00 O ATOM 0 H TYR A 25 -9.498 8.258 -2.864 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.374 6.415 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.696 6.267 0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.875 7.961 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.977 8.715 -1.503 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.579 4.810 0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.492 8.426 -1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.096 4.534 0.091 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.980 5.434 -0.421 1.00 0.00 H new ATOM 375 N LYS A 26 -8.646 4.341 -2.443 1.00 0.00 N ATOM 376 CA LYS A 26 -9.225 3.158 -3.055 1.00 0.00 C ATOM 377 C LYS A 26 -8.837 1.924 -2.237 1.00 0.00 C ATOM 378 O LYS A 26 -7.662 1.718 -1.939 1.00 0.00 O ATOM 379 CB LYS A 26 -8.828 3.068 -4.530 1.00 0.00 C ATOM 380 CG LYS A 26 -7.401 2.540 -4.682 1.00 0.00 C ATOM 381 CD LYS A 26 -7.396 1.025 -4.897 1.00 0.00 C ATOM 382 CE LYS A 26 -6.011 0.536 -5.322 1.00 0.00 C ATOM 383 NZ LYS A 26 -6.085 -0.852 -5.831 1.00 0.00 N ATOM 0 H LYS A 26 -7.855 4.158 -1.826 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.313 3.218 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.520 2.412 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.907 4.052 -4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.915 3.032 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.822 2.786 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.696 0.523 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.129 0.760 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.608 1.192 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.326 0.583 -4.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.537 -1.480 -5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.077 -1.163 -5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.693 -0.890 -6.793 1.00 0.00 H new ATOM 397 N VAL A 27 -9.847 1.137 -1.898 1.00 0.00 N ATOM 398 CA VAL A 27 -9.626 -0.071 -1.121 1.00 0.00 C ATOM 399 C VAL A 27 -9.494 -1.265 -2.068 1.00 0.00 C ATOM 400 O VAL A 27 -10.373 -1.507 -2.893 1.00 0.00 O ATOM 401 CB VAL A 27 -10.746 -0.244 -0.093 1.00 0.00 C ATOM 402 CG1 VAL A 27 -10.820 0.962 0.846 1.00 0.00 C ATOM 403 CG2 VAL A 27 -12.090 -0.486 -0.783 1.00 0.00 C ATOM 0 H VAL A 27 -10.821 1.312 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.695 0.002 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.516 -1.123 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.624 0.813 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.873 1.069 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.015 1.864 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.869 -0.606 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.330 0.364 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.030 -1.389 -1.390 1.00 0.00 H new ATOM 413 N LEU A 28 -8.388 -1.979 -1.918 1.00 0.00 N ATOM 414 CA LEU A 28 -8.129 -3.142 -2.750 1.00 0.00 C ATOM 415 C LEU A 28 -8.430 -4.412 -1.951 1.00 0.00 C ATOM 416 O LEU A 28 -7.944 -4.576 -0.833 1.00 0.00 O ATOM 417 CB LEU A 28 -6.708 -3.092 -3.314 1.00 0.00 C ATOM 418 CG LEU A 28 -6.308 -4.251 -4.229 1.00 0.00 C ATOM 419 CD1 LEU A 28 -7.232 -4.332 -5.446 1.00 0.00 C ATOM 420 CD2 LEU A 28 -4.836 -4.148 -4.633 1.00 0.00 C ATOM 0 H LEU A 28 -7.661 -1.775 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.790 -3.146 -3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.591 -2.161 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.008 -3.056 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.425 -5.181 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.926 -5.164 -6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.258 -4.487 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.170 -3.403 -6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.578 -4.984 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.669 -3.211 -5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.211 -4.176 -3.740 1.00 0.00 H new ATOM 432 N SER A 29 -9.229 -5.278 -2.557 1.00 0.00 N ATOM 433 CA SER A 29 -9.600 -6.528 -1.916 1.00 0.00 C ATOM 434 C SER A 29 -8.779 -7.679 -2.500 1.00 0.00 C ATOM 435 O SER A 29 -8.845 -7.949 -3.698 1.00 0.00 O ATOM 436 CB SER A 29 -11.096 -6.808 -2.078 1.00 0.00 C ATOM 437 OG SER A 29 -11.465 -6.962 -3.446 1.00 0.00 O ATOM 0 H SER A 29 -9.630 -5.139 -3.485 1.00 0.00 H new ATOM 0 HA SER A 29 -9.387 -6.442 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.357 -7.712 -1.528 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.668 -5.991 -1.638 1.00 0.00 H new ATOM 0 HG SER A 29 -10.721 -7.364 -3.942 1.00 0.00 H new ATOM 443 N VAL A 30 -8.023 -8.328 -1.625 1.00 0.00 N ATOM 444 CA VAL A 30 -7.190 -9.444 -2.039 1.00 0.00 C ATOM 445 C VAL A 30 -7.225 -10.528 -0.960 1.00 0.00 C ATOM 446 O VAL A 30 -7.571 -10.256 0.188 1.00 0.00 O ATOM 447 CB VAL A 30 -5.774 -8.953 -2.347 1.00 0.00 C ATOM 448 CG1 VAL A 30 -5.806 -7.613 -3.085 1.00 0.00 C ATOM 449 CG2 VAL A 30 -4.937 -8.856 -1.070 1.00 0.00 C ATOM 0 H VAL A 30 -7.970 -8.102 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.574 -9.887 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.301 -9.685 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.787 -7.287 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.348 -7.728 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.307 -6.869 -2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.935 -8.505 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.407 -8.156 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.872 -9.838 -0.602 1.00 0.00 H new ATOM 459 N PRO A 31 -6.852 -11.767 -1.379 1.00 0.00 N ATOM 460 CA PRO A 31 -6.837 -12.894 -0.462 1.00 0.00 C ATOM 461 C PRO A 31 -5.638 -12.815 0.485 1.00 0.00 C ATOM 462 O PRO A 31 -4.510 -12.600 0.046 1.00 0.00 O ATOM 463 CB PRO A 31 -6.811 -14.126 -1.352 1.00 0.00 C ATOM 464 CG PRO A 31 -6.344 -13.644 -2.716 1.00 0.00 C ATOM 465 CD PRO A 31 -6.436 -12.127 -2.731 1.00 0.00 C ATOM 0 HA PRO A 31 -7.706 -12.912 0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.135 -14.882 -0.953 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.799 -14.583 -1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.320 -13.966 -2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.963 -14.072 -3.505 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.477 -11.675 -2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.157 -11.781 -3.472 1.00 0.00 H new ATOM 473 N GLU A 32 -5.924 -12.994 1.766 1.00 0.00 N ATOM 474 CA GLU A 32 -4.883 -12.946 2.779 1.00 0.00 C ATOM 475 C GLU A 32 -3.635 -13.685 2.293 1.00 0.00 C ATOM 476 O GLU A 32 -2.546 -13.114 2.255 1.00 0.00 O ATOM 477 CB GLU A 32 -5.381 -13.524 4.105 1.00 0.00 C ATOM 478 CG GLU A 32 -6.510 -12.671 4.686 1.00 0.00 C ATOM 479 CD GLU A 32 -6.671 -12.922 6.186 1.00 0.00 C ATOM 480 OE1 GLU A 32 -6.811 -14.109 6.551 1.00 0.00 O ATOM 481 OE2 GLU A 32 -6.650 -11.921 6.935 1.00 0.00 O ATOM 0 H GLU A 32 -6.862 -13.173 2.126 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.619 -11.903 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.733 -14.544 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.556 -13.575 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.300 -11.616 4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.444 -12.900 4.173 1.00 0.00 H new ATOM 488 N SER A 33 -3.835 -14.945 1.932 1.00 0.00 N ATOM 489 CA SER A 33 -2.739 -15.768 1.450 1.00 0.00 C ATOM 490 C SER A 33 -1.793 -14.928 0.589 1.00 0.00 C ATOM 491 O SER A 33 -0.597 -14.852 0.866 1.00 0.00 O ATOM 492 CB SER A 33 -3.259 -16.966 0.653 1.00 0.00 C ATOM 493 OG SER A 33 -4.230 -16.581 -0.316 1.00 0.00 O ATOM 0 H SER A 33 -4.740 -15.415 1.964 1.00 0.00 H new ATOM 0 HA SER A 33 -2.193 -16.149 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.425 -17.459 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.697 -17.693 1.336 1.00 0.00 H new ATOM 0 HG SER A 33 -4.536 -17.373 -0.805 1.00 0.00 H new ATOM 499 N THR A 34 -2.365 -14.318 -0.439 1.00 0.00 N ATOM 500 CA THR A 34 -1.588 -13.487 -1.343 1.00 0.00 C ATOM 501 C THR A 34 -0.750 -12.479 -0.553 1.00 0.00 C ATOM 502 O THR A 34 -1.186 -11.981 0.484 1.00 0.00 O ATOM 503 CB THR A 34 -2.554 -12.831 -2.331 1.00 0.00 C ATOM 504 OG1 THR A 34 -2.974 -13.904 -3.170 1.00 0.00 O ATOM 505 CG2 THR A 34 -1.850 -11.865 -3.286 1.00 0.00 C ATOM 0 H THR A 34 -3.357 -14.383 -0.666 1.00 0.00 H new ATOM 0 HA THR A 34 -0.874 -14.082 -1.912 1.00 0.00 H new ATOM 0 HB THR A 34 -3.328 -12.297 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.475 -13.546 -3.933 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.581 -11.427 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.368 -11.073 -2.713 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.098 -12.405 -3.861 1.00 0.00 H new ATOM 513 N PRO A 35 0.469 -12.202 -1.087 1.00 0.00 N ATOM 514 CA PRO A 35 1.372 -11.263 -0.444 1.00 0.00 C ATOM 515 C PRO A 35 0.910 -9.821 -0.662 1.00 0.00 C ATOM 516 O PRO A 35 0.118 -9.548 -1.563 1.00 0.00 O ATOM 517 CB PRO A 35 2.736 -11.548 -1.052 1.00 0.00 C ATOM 518 CG PRO A 35 2.467 -12.310 -2.340 1.00 0.00 C ATOM 519 CD PRO A 35 1.019 -12.773 -2.314 1.00 0.00 C ATOM 0 HA PRO A 35 1.401 -11.383 0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.276 -10.622 -1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.352 -12.136 -0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.649 -11.673 -3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.139 -13.164 -2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.476 -12.423 -3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.951 -13.861 -2.310 1.00 0.00 H new ATOM 527 N PHE A 36 1.424 -8.935 0.178 1.00 0.00 N ATOM 528 CA PHE A 36 1.075 -7.527 0.089 1.00 0.00 C ATOM 529 C PHE A 36 1.858 -6.838 -1.030 1.00 0.00 C ATOM 530 O PHE A 36 1.521 -5.726 -1.435 1.00 0.00 O ATOM 531 CB PHE A 36 1.449 -6.887 1.427 1.00 0.00 C ATOM 532 CG PHE A 36 0.599 -5.669 1.793 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.849 -4.466 1.210 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.406 -5.788 2.702 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.060 -3.335 1.550 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.194 -4.658 3.042 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.944 -3.454 2.459 1.00 0.00 C ATOM 0 H PHE A 36 2.080 -9.165 0.924 1.00 0.00 H new ATOM 0 HA PHE A 36 0.012 -7.420 -0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.353 -7.634 2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.497 -6.590 1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.647 -4.371 0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.604 -6.743 3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.258 -2.380 1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.992 -4.753 3.763 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.543 -2.593 2.718 1.00 0.00 H new ATOM 547 N THR A 37 2.889 -7.526 -1.498 1.00 0.00 N ATOM 548 CA THR A 37 3.723 -6.994 -2.562 1.00 0.00 C ATOM 549 C THR A 37 2.926 -6.891 -3.864 1.00 0.00 C ATOM 550 O THR A 37 3.185 -6.015 -4.688 1.00 0.00 O ATOM 551 CB THR A 37 4.964 -7.880 -2.678 1.00 0.00 C ATOM 552 OG1 THR A 37 5.952 -7.022 -3.243 1.00 0.00 O ATOM 553 CG2 THR A 37 4.796 -8.990 -3.718 1.00 0.00 C ATOM 0 H THR A 37 3.166 -8.448 -1.160 1.00 0.00 H new ATOM 0 HA THR A 37 4.051 -5.979 -2.337 1.00 0.00 H new ATOM 0 HB THR A 37 5.185 -8.323 -1.707 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.791 -7.516 -3.351 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.705 -9.590 -3.760 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.955 -9.625 -3.440 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.608 -8.547 -4.696 1.00 0.00 H new ATOM 561 N ALA A 38 1.972 -7.799 -4.009 1.00 0.00 N ATOM 562 CA ALA A 38 1.135 -7.822 -5.197 1.00 0.00 C ATOM 563 C ALA A 38 0.145 -6.656 -5.141 1.00 0.00 C ATOM 564 O ALA A 38 -0.269 -6.138 -6.177 1.00 0.00 O ATOM 565 CB ALA A 38 0.433 -9.177 -5.302 1.00 0.00 C ATOM 0 H ALA A 38 1.760 -8.524 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 38 1.741 -7.698 -6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.195 -9.194 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.179 -9.969 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.186 -9.335 -4.419 1.00 0.00 H new ATOM 571 N VAL A 39 -0.205 -6.277 -3.920 1.00 0.00 N ATOM 572 CA VAL A 39 -1.138 -5.182 -3.716 1.00 0.00 C ATOM 573 C VAL A 39 -0.560 -3.904 -4.326 1.00 0.00 C ATOM 574 O VAL A 39 -1.278 -3.138 -4.966 1.00 0.00 O ATOM 575 CB VAL A 39 -1.460 -5.041 -2.227 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.336 -3.813 -1.970 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.123 -6.310 -1.687 1.00 0.00 C ATOM 0 H VAL A 39 0.141 -6.709 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.082 -5.385 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.520 -4.900 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.550 -3.736 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.812 -2.916 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.271 -3.911 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.341 -6.183 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.050 -6.495 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.450 -7.157 -1.820 1.00 0.00 H new ATOM 587 N LEU A 40 0.733 -3.714 -4.106 1.00 0.00 N ATOM 588 CA LEU A 40 1.416 -2.542 -4.627 1.00 0.00 C ATOM 589 C LEU A 40 1.141 -2.420 -6.127 1.00 0.00 C ATOM 590 O LEU A 40 0.516 -1.459 -6.571 1.00 0.00 O ATOM 591 CB LEU A 40 2.905 -2.589 -4.276 1.00 0.00 C ATOM 592 CG LEU A 40 3.581 -1.238 -4.038 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.636 -1.340 -2.935 1.00 0.00 C ATOM 594 CD2 LEU A 40 4.164 -0.680 -5.338 1.00 0.00 C ATOM 0 H LEU A 40 1.325 -4.352 -3.574 1.00 0.00 H new ATOM 0 HA LEU A 40 1.030 -1.637 -4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.028 -3.197 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.432 -3.100 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 40 2.824 -0.533 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.102 -0.366 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.163 -1.662 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.397 -2.065 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.639 0.281 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.904 -1.376 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.365 -0.547 -6.067 1.00 0.00 H new ATOM 606 N LYS A 41 1.621 -3.410 -6.866 1.00 0.00 N ATOM 607 CA LYS A 41 1.435 -3.426 -8.307 1.00 0.00 C ATOM 608 C LYS A 41 -0.014 -3.060 -8.633 1.00 0.00 C ATOM 609 O LYS A 41 -0.270 -2.060 -9.303 1.00 0.00 O ATOM 610 CB LYS A 41 1.876 -4.770 -8.889 1.00 0.00 C ATOM 611 CG LYS A 41 3.385 -4.966 -8.735 1.00 0.00 C ATOM 612 CD LYS A 41 3.721 -6.428 -8.431 1.00 0.00 C ATOM 613 CE LYS A 41 4.140 -7.169 -9.702 1.00 0.00 C ATOM 614 NZ LYS A 41 3.035 -8.023 -10.193 1.00 0.00 N ATOM 0 H LYS A 41 2.138 -4.206 -6.494 1.00 0.00 H new ATOM 0 HA LYS A 41 2.068 -2.677 -8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.347 -5.579 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.605 -4.820 -9.944 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.891 -4.656 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.758 -4.329 -7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.525 -6.475 -7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.855 -6.920 -7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.422 -6.451 -10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.019 -7.782 -9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.337 -8.519 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.784 -8.720 -9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.207 -7.431 -10.405 1.00 0.00 H new ATOM 628 N PHE A 42 -0.925 -3.889 -8.145 1.00 0.00 N ATOM 629 CA PHE A 42 -2.342 -3.665 -8.377 1.00 0.00 C ATOM 630 C PHE A 42 -2.721 -2.210 -8.093 1.00 0.00 C ATOM 631 O PHE A 42 -3.190 -1.502 -8.983 1.00 0.00 O ATOM 632 CB PHE A 42 -3.102 -4.576 -7.411 1.00 0.00 C ATOM 633 CG PHE A 42 -4.523 -4.917 -7.865 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.367 -3.927 -8.261 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.942 -6.211 -7.874 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.685 -4.244 -8.683 1.00 0.00 C ATOM 637 CE2 PHE A 42 -6.260 -6.528 -8.295 1.00 0.00 C ATOM 638 CZ PHE A 42 -7.104 -5.538 -8.692 1.00 0.00 C ATOM 0 H PHE A 42 -0.709 -4.717 -7.590 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.588 -3.879 -9.417 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.541 -5.501 -7.283 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.149 -4.094 -6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.035 -2.899 -8.254 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.272 -6.998 -7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.355 -3.457 -8.997 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.593 -7.555 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.106 -5.779 -9.014 1.00 0.00 H new ATOM 648 N ALA A 43 -2.503 -1.807 -6.850 1.00 0.00 N ATOM 649 CA ALA A 43 -2.816 -0.450 -6.437 1.00 0.00 C ATOM 650 C ALA A 43 -2.280 0.532 -7.482 1.00 0.00 C ATOM 651 O ALA A 43 -3.035 1.332 -8.032 1.00 0.00 O ATOM 652 CB ALA A 43 -2.237 -0.193 -5.045 1.00 0.00 C ATOM 0 H ALA A 43 -2.113 -2.397 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.895 -0.308 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.472 0.825 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.670 -0.897 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.155 -0.324 -5.071 1.00 0.00 H new ATOM 658 N ALA A 44 -0.981 0.439 -7.723 1.00 0.00 N ATOM 659 CA ALA A 44 -0.335 1.309 -8.691 1.00 0.00 C ATOM 660 C ALA A 44 -1.197 1.388 -9.953 1.00 0.00 C ATOM 661 O ALA A 44 -1.776 2.432 -10.249 1.00 0.00 O ATOM 662 CB ALA A 44 1.076 0.793 -8.980 1.00 0.00 C ATOM 0 H ALA A 44 -0.358 -0.226 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.237 2.319 -8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.560 1.446 -9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.656 0.783 -8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.018 -0.218 -9.383 1.00 0.00 H new ATOM 668 N GLU A 45 -1.254 0.271 -10.663 1.00 0.00 N ATOM 669 CA GLU A 45 -2.035 0.201 -11.886 1.00 0.00 C ATOM 670 C GLU A 45 -3.375 0.915 -11.702 1.00 0.00 C ATOM 671 O GLU A 45 -3.784 1.705 -12.552 1.00 0.00 O ATOM 672 CB GLU A 45 -2.243 -1.251 -12.321 1.00 0.00 C ATOM 673 CG GLU A 45 -1.162 -1.687 -13.312 1.00 0.00 C ATOM 674 CD GLU A 45 -1.783 -2.346 -14.546 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.558 -3.306 -14.347 1.00 0.00 O ATOM 676 OE2 GLU A 45 -1.468 -1.875 -15.660 1.00 0.00 O ATOM 0 H GLU A 45 -0.772 -0.593 -10.415 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.481 0.707 -12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.224 -1.902 -11.447 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.226 -1.360 -12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.572 -0.822 -13.615 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.479 -2.385 -12.827 1.00 0.00 H new ATOM 683 N GLU A 46 -4.022 0.613 -10.586 1.00 0.00 N ATOM 684 CA GLU A 46 -5.308 1.217 -10.279 1.00 0.00 C ATOM 685 C GLU A 46 -5.223 2.739 -10.407 1.00 0.00 C ATOM 686 O GLU A 46 -6.107 3.367 -10.989 1.00 0.00 O ATOM 687 CB GLU A 46 -5.786 0.810 -8.884 1.00 0.00 C ATOM 688 CG GLU A 46 -7.132 0.086 -8.955 1.00 0.00 C ATOM 689 CD GLU A 46 -8.288 1.051 -8.682 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.307 2.115 -9.338 1.00 0.00 O ATOM 691 OE2 GLU A 46 -9.127 0.702 -7.823 1.00 0.00 O ATOM 0 H GLU A 46 -3.680 -0.042 -9.883 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.040 0.851 -10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.045 0.162 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.878 1.695 -8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.255 -0.365 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.151 -0.726 -8.228 1.00 0.00 H new ATOM 698 N PHE A 47 -4.152 3.289 -9.855 1.00 0.00 N ATOM 699 CA PHE A 47 -3.941 4.726 -9.900 1.00 0.00 C ATOM 700 C PHE A 47 -3.199 5.131 -11.176 1.00 0.00 C ATOM 701 O PHE A 47 -2.648 6.228 -11.256 1.00 0.00 O ATOM 702 CB PHE A 47 -3.082 5.090 -8.687 1.00 0.00 C ATOM 703 CG PHE A 47 -3.856 5.137 -7.368 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.898 5.999 -7.222 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.501 4.317 -6.343 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.616 6.042 -5.997 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.220 4.361 -5.118 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.262 5.222 -4.972 1.00 0.00 C ATOM 0 H PHE A 47 -3.421 2.765 -9.374 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.900 5.244 -9.889 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.274 4.365 -8.596 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.620 6.062 -8.860 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.179 6.650 -8.037 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.673 3.633 -6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.443 6.726 -5.880 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.939 3.711 -4.303 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.809 5.255 -4.041 1.00 0.00 H new ATOM 718 N LYS A 48 -3.208 4.224 -12.141 1.00 0.00 N ATOM 719 CA LYS A 48 -2.543 4.473 -13.409 1.00 0.00 C ATOM 720 C LYS A 48 -1.133 5.004 -13.144 1.00 0.00 C ATOM 721 O LYS A 48 -0.770 6.077 -13.623 1.00 0.00 O ATOM 722 CB LYS A 48 -3.392 5.394 -14.287 1.00 0.00 C ATOM 723 CG LYS A 48 -4.124 4.598 -15.369 1.00 0.00 C ATOM 724 CD LYS A 48 -5.273 3.785 -14.769 1.00 0.00 C ATOM 725 CE LYS A 48 -6.448 3.693 -15.745 1.00 0.00 C ATOM 726 NZ LYS A 48 -6.790 2.279 -16.013 1.00 0.00 N ATOM 0 H LYS A 48 -3.665 3.315 -12.071 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.435 3.546 -13.971 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.116 5.926 -13.669 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.756 6.147 -14.752 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.512 5.279 -16.126 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.424 3.930 -15.870 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.923 2.783 -14.520 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.604 4.247 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.313 4.210 -15.331 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.193 4.195 -16.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.589 2.235 -16.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.968 1.796 -16.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.054 1.811 -15.123 1.00 0.00 H new ATOM 740 N VAL A 49 -0.376 4.228 -12.382 1.00 0.00 N ATOM 741 CA VAL A 49 0.986 4.606 -12.048 1.00 0.00 C ATOM 742 C VAL A 49 1.915 3.412 -12.282 1.00 0.00 C ATOM 743 O VAL A 49 1.469 2.266 -12.283 1.00 0.00 O ATOM 744 CB VAL A 49 1.045 5.138 -10.615 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.048 6.281 -10.413 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.806 4.016 -9.603 1.00 0.00 C ATOM 0 H VAL A 49 -0.681 3.339 -11.986 1.00 0.00 H new ATOM 0 HA VAL A 49 1.327 5.414 -12.695 1.00 0.00 H new ATOM 0 HB VAL A 49 2.046 5.533 -10.446 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.110 6.641 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.284 7.095 -11.098 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.962 5.922 -10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.853 4.421 -8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.177 3.577 -9.772 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.571 3.249 -9.722 1.00 0.00 H new ATOM 756 N PRO A 50 3.222 3.731 -12.478 1.00 0.00 N ATOM 757 CA PRO A 50 4.217 2.698 -12.712 1.00 0.00 C ATOM 758 C PRO A 50 4.555 1.959 -11.415 1.00 0.00 C ATOM 759 O PRO A 50 4.804 2.586 -10.386 1.00 0.00 O ATOM 760 CB PRO A 50 5.409 3.428 -13.308 1.00 0.00 C ATOM 761 CG PRO A 50 5.218 4.894 -12.957 1.00 0.00 C ATOM 762 CD PRO A 50 3.786 5.077 -12.483 1.00 0.00 C ATOM 0 HA PRO A 50 3.865 1.920 -13.389 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.345 3.047 -12.899 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.453 3.288 -14.388 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.919 5.195 -12.178 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.416 5.523 -13.825 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.752 5.524 -11.490 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.230 5.737 -13.149 1.00 0.00 H new ATOM 770 N ALA A 51 4.555 0.638 -11.507 1.00 0.00 N ATOM 771 CA ALA A 51 4.859 -0.193 -10.354 1.00 0.00 C ATOM 772 C ALA A 51 6.376 -0.350 -10.230 1.00 0.00 C ATOM 773 O ALA A 51 6.879 -1.465 -10.103 1.00 0.00 O ATOM 774 CB ALA A 51 4.142 -1.538 -10.491 1.00 0.00 C ATOM 0 H ALA A 51 4.349 0.122 -12.362 1.00 0.00 H new ATOM 0 HA ALA A 51 4.500 0.275 -9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.370 -2.161 -9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.066 -1.373 -10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.479 -2.039 -11.399 1.00 0.00 H new ATOM 780 N ALA A 52 7.061 0.783 -10.272 1.00 0.00 N ATOM 781 CA ALA A 52 8.510 0.785 -10.165 1.00 0.00 C ATOM 782 C ALA A 52 8.945 1.889 -9.199 1.00 0.00 C ATOM 783 O ALA A 52 9.724 1.643 -8.280 1.00 0.00 O ATOM 784 CB ALA A 52 9.124 0.953 -11.557 1.00 0.00 C ATOM 0 H ALA A 52 6.640 1.706 -10.379 1.00 0.00 H new ATOM 0 HA ALA A 52 8.866 -0.163 -9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.211 0.955 -11.477 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.808 0.128 -12.196 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.791 1.896 -11.990 1.00 0.00 H new ATOM 790 N THR A 53 8.422 3.082 -9.441 1.00 0.00 N ATOM 791 CA THR A 53 8.746 4.224 -8.604 1.00 0.00 C ATOM 792 C THR A 53 7.663 4.433 -7.544 1.00 0.00 C ATOM 793 O THR A 53 7.201 5.554 -7.335 1.00 0.00 O ATOM 794 CB THR A 53 8.947 5.437 -9.515 1.00 0.00 C ATOM 795 OG1 THR A 53 7.694 5.583 -10.179 1.00 0.00 O ATOM 796 CG2 THR A 53 9.938 5.161 -10.647 1.00 0.00 C ATOM 0 H THR A 53 7.776 3.282 -10.205 1.00 0.00 H new ATOM 0 HA THR A 53 9.670 4.059 -8.051 1.00 0.00 H new ATOM 0 HB THR A 53 9.299 6.282 -8.923 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.734 6.349 -10.789 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.044 6.054 -11.263 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.907 4.894 -10.225 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.570 4.338 -11.260 1.00 0.00 H new ATOM 804 N SER A 54 7.289 3.337 -6.902 1.00 0.00 N ATOM 805 CA SER A 54 6.269 3.385 -5.868 1.00 0.00 C ATOM 806 C SER A 54 6.671 2.493 -4.693 1.00 0.00 C ATOM 807 O SER A 54 7.478 1.578 -4.851 1.00 0.00 O ATOM 808 CB SER A 54 4.907 2.956 -6.418 1.00 0.00 C ATOM 809 OG SER A 54 4.573 3.649 -7.618 1.00 0.00 O ATOM 0 H SER A 54 7.674 2.409 -7.078 1.00 0.00 H new ATOM 0 HA SER A 54 6.183 4.415 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.915 1.883 -6.609 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.139 3.140 -5.667 1.00 0.00 H new ATOM 0 HG SER A 54 4.746 3.070 -8.389 1.00 0.00 H new ATOM 815 N ALA A 55 6.090 2.790 -3.539 1.00 0.00 N ATOM 816 CA ALA A 55 6.379 2.026 -2.338 1.00 0.00 C ATOM 817 C ALA A 55 5.293 2.297 -1.294 1.00 0.00 C ATOM 818 O ALA A 55 4.589 3.303 -1.372 1.00 0.00 O ATOM 819 CB ALA A 55 7.778 2.381 -1.830 1.00 0.00 C ATOM 0 H ALA A 55 5.421 3.549 -3.411 1.00 0.00 H new ATOM 0 HA ALA A 55 6.372 0.957 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.994 1.807 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.515 2.143 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.823 3.446 -1.602 1.00 0.00 H new ATOM 825 N ILE A 56 5.192 1.382 -0.341 1.00 0.00 N ATOM 826 CA ILE A 56 4.205 1.510 0.717 1.00 0.00 C ATOM 827 C ILE A 56 4.915 1.533 2.072 1.00 0.00 C ATOM 828 O ILE A 56 5.829 0.745 2.312 1.00 0.00 O ATOM 829 CB ILE A 56 3.146 0.412 0.597 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.373 0.536 -0.717 1.00 0.00 C ATOM 831 CG2 ILE A 56 2.215 0.413 1.812 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.557 -0.728 -0.996 1.00 0.00 C ATOM 0 H ILE A 56 5.778 0.549 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 56 3.666 2.453 0.623 1.00 0.00 H new ATOM 0 HB ILE A 56 3.654 -0.552 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.709 1.399 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.069 0.712 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.472 -0.377 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.797 0.239 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.712 1.377 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.017 -0.613 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.226 -1.585 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.845 -0.888 -0.186 1.00 0.00 H new ATOM 844 N ILE A 57 4.468 2.445 2.923 1.00 0.00 N ATOM 845 CA ILE A 57 5.050 2.582 4.247 1.00 0.00 C ATOM 846 C ILE A 57 3.929 2.675 5.285 1.00 0.00 C ATOM 847 O ILE A 57 2.754 2.740 4.929 1.00 0.00 O ATOM 848 CB ILE A 57 6.023 3.762 4.286 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.319 5.066 3.904 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.247 3.493 3.408 1.00 0.00 C ATOM 851 CD1 ILE A 57 5.921 6.255 4.656 1.00 0.00 C ATOM 0 H ILE A 57 3.709 3.096 2.721 1.00 0.00 H new ATOM 0 HA ILE A 57 5.643 1.702 4.495 1.00 0.00 H new ATOM 0 HB ILE A 57 6.380 3.877 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.406 5.229 2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.255 4.989 4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.922 4.347 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.763 2.603 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.928 3.337 2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.403 7.169 4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 57 5.811 6.100 5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.979 6.344 4.409 1.00 0.00 H new ATOM 863 N THR A 58 4.333 2.677 6.547 1.00 0.00 N ATOM 864 CA THR A 58 3.378 2.760 7.638 1.00 0.00 C ATOM 865 C THR A 58 3.203 4.214 8.084 1.00 0.00 C ATOM 866 O THR A 58 3.672 5.133 7.415 1.00 0.00 O ATOM 867 CB THR A 58 3.857 1.835 8.758 1.00 0.00 C ATOM 868 OG1 THR A 58 5.220 2.202 8.952 1.00 0.00 O ATOM 869 CG2 THR A 58 3.925 0.371 8.319 1.00 0.00 C ATOM 0 H THR A 58 5.309 2.622 6.838 1.00 0.00 H new ATOM 0 HA THR A 58 2.389 2.428 7.323 1.00 0.00 H new ATOM 0 HB THR A 58 3.190 1.927 9.615 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.384 2.359 9.905 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.271 -0.243 9.151 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.935 0.038 8.009 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.618 0.273 7.484 1.00 0.00 H new ATOM 877 N ASN A 59 2.526 4.376 9.211 1.00 0.00 N ATOM 878 CA ASN A 59 2.283 5.701 9.754 1.00 0.00 C ATOM 879 C ASN A 59 3.573 6.237 10.377 1.00 0.00 C ATOM 880 O ASN A 59 3.723 7.444 10.563 1.00 0.00 O ATOM 881 CB ASN A 59 1.212 5.662 10.846 1.00 0.00 C ATOM 882 CG ASN A 59 -0.146 6.105 10.298 1.00 0.00 C ATOM 883 OD1 ASN A 59 -0.694 7.127 10.678 1.00 0.00 O ATOM 884 ND2 ASN A 59 -0.657 5.282 9.386 1.00 0.00 N ATOM 0 H ASN A 59 2.138 3.611 9.763 1.00 0.00 H new ATOM 0 HA ASN A 59 1.944 6.341 8.939 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.134 4.652 11.248 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.505 6.312 11.671 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.560 5.490 8.960 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.146 4.443 9.113 1.00 0.00 H new ATOM 891 N ASP A 60 4.473 5.313 10.683 1.00 0.00 N ATOM 892 CA ASP A 60 5.746 5.677 11.282 1.00 0.00 C ATOM 893 C ASP A 60 6.866 5.447 10.266 1.00 0.00 C ATOM 894 O ASP A 60 8.042 5.428 10.627 1.00 0.00 O ATOM 895 CB ASP A 60 6.041 4.820 12.514 1.00 0.00 C ATOM 896 CG ASP A 60 5.706 5.477 13.854 1.00 0.00 C ATOM 897 OD1 ASP A 60 4.806 6.344 13.852 1.00 0.00 O ATOM 898 OD2 ASP A 60 6.359 5.097 14.851 1.00 0.00 O ATOM 0 H ASP A 60 4.345 4.313 10.527 1.00 0.00 H new ATOM 0 HA ASP A 60 5.692 6.725 11.577 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.480 3.889 12.433 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.099 4.557 12.510 1.00 0.00 H new ATOM 903 N GLY A 61 6.463 5.278 9.015 1.00 0.00 N ATOM 904 CA GLY A 61 7.418 5.049 7.945 1.00 0.00 C ATOM 905 C GLY A 61 8.460 4.006 8.354 1.00 0.00 C ATOM 906 O GLY A 61 9.659 4.282 8.340 1.00 0.00 O ATOM 0 H GLY A 61 5.487 5.295 8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.894 4.713 7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.915 5.985 7.690 1.00 0.00 H new ATOM 910 N ILE A 62 7.966 2.829 8.707 1.00 0.00 N ATOM 911 CA ILE A 62 8.839 1.743 9.119 1.00 0.00 C ATOM 912 C ILE A 62 9.068 0.801 7.935 1.00 0.00 C ATOM 913 O ILE A 62 9.704 -0.241 8.081 1.00 0.00 O ATOM 914 CB ILE A 62 8.279 1.046 10.360 1.00 0.00 C ATOM 915 CG1 ILE A 62 9.218 1.217 11.556 1.00 0.00 C ATOM 916 CG2 ILE A 62 7.978 -0.426 10.073 1.00 0.00 C ATOM 917 CD1 ILE A 62 10.435 0.299 11.432 1.00 0.00 C ATOM 0 H ILE A 62 6.971 2.603 8.716 1.00 0.00 H new ATOM 0 HA ILE A 62 9.815 2.130 9.413 1.00 0.00 H new ATOM 0 HB ILE A 62 7.334 1.522 10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.546 2.255 11.620 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.682 0.994 12.479 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.581 -0.898 10.972 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.243 -0.497 9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.895 -0.933 9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.086 0.440 12.294 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.105 -0.739 11.392 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.982 0.541 10.521 1.00 0.00 H new ATOM 929 N GLY A 63 8.536 1.203 6.790 1.00 0.00 N ATOM 930 CA GLY A 63 8.674 0.407 5.582 1.00 0.00 C ATOM 931 C GLY A 63 8.085 -0.992 5.776 1.00 0.00 C ATOM 932 O GLY A 63 8.552 -1.754 6.621 1.00 0.00 O ATOM 0 H GLY A 63 8.009 2.069 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.170 0.906 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.727 0.328 5.313 1.00 0.00 H new ATOM 936 N ILE A 64 7.069 -1.287 4.979 1.00 0.00 N ATOM 937 CA ILE A 64 6.412 -2.580 5.052 1.00 0.00 C ATOM 938 C ILE A 64 7.315 -3.643 4.424 1.00 0.00 C ATOM 939 O ILE A 64 8.007 -3.374 3.443 1.00 0.00 O ATOM 940 CB ILE A 64 5.018 -2.510 4.425 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.202 -1.364 5.028 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.294 -3.853 4.543 1.00 0.00 C ATOM 943 CD1 ILE A 64 2.779 -1.350 4.468 1.00 0.00 C ATOM 0 H ILE A 64 6.685 -0.652 4.279 1.00 0.00 H new ATOM 0 HA ILE A 64 6.255 -2.868 6.091 1.00 0.00 H new ATOM 0 HB ILE A 64 5.133 -2.299 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.169 -1.468 6.113 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.690 -0.413 4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.306 -3.775 4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.869 -4.623 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.190 -4.119 5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.221 -0.526 4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.815 -1.221 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.285 -2.292 4.705 1.00 0.00 H new ATOM 955 N ASN A 65 7.280 -4.828 5.015 1.00 0.00 N ATOM 956 CA ASN A 65 8.088 -5.933 4.526 1.00 0.00 C ATOM 957 C ASN A 65 7.169 -7.068 4.069 1.00 0.00 C ATOM 958 O ASN A 65 6.567 -7.754 4.893 1.00 0.00 O ATOM 959 CB ASN A 65 9.000 -6.478 5.626 1.00 0.00 C ATOM 960 CG ASN A 65 10.469 -6.417 5.201 1.00 0.00 C ATOM 961 OD1 ASN A 65 11.226 -5.553 5.611 1.00 0.00 O ATOM 962 ND2 ASN A 65 10.828 -7.381 4.357 1.00 0.00 N ATOM 0 H ASN A 65 6.705 -5.048 5.828 1.00 0.00 H new ATOM 0 HA ASN A 65 8.698 -5.565 3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.858 -5.901 6.540 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.726 -7.508 5.853 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.787 -7.427 4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.144 -8.074 4.053 1.00 0.00 H new ATOM 969 N PRO A 66 7.087 -7.234 2.722 1.00 0.00 N ATOM 970 CA PRO A 66 6.251 -8.274 2.145 1.00 0.00 C ATOM 971 C PRO A 66 6.897 -9.651 2.311 1.00 0.00 C ATOM 972 O PRO A 66 7.030 -10.399 1.344 1.00 0.00 O ATOM 973 CB PRO A 66 6.073 -7.873 0.690 1.00 0.00 C ATOM 974 CG PRO A 66 7.187 -6.883 0.390 1.00 0.00 C ATOM 975 CD PRO A 66 7.786 -6.440 1.715 1.00 0.00 C ATOM 0 HA PRO A 66 5.284 -8.361 2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.136 -8.742 0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.095 -7.421 0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.949 -7.345 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.798 -6.025 -0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.860 -6.621 1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.638 -5.373 1.879 1.00 0.00 H new ATOM 983 N ALA A 67 7.281 -9.944 3.545 1.00 0.00 N ATOM 984 CA ALA A 67 7.909 -11.218 3.850 1.00 0.00 C ATOM 985 C ALA A 67 6.826 -12.261 4.133 1.00 0.00 C ATOM 986 O ALA A 67 7.059 -13.460 3.980 1.00 0.00 O ATOM 987 CB ALA A 67 8.872 -11.044 5.026 1.00 0.00 C ATOM 0 H ALA A 67 7.169 -9.321 4.345 1.00 0.00 H new ATOM 0 HA ALA A 67 8.493 -11.571 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.343 -12.000 5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.639 -10.315 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.321 -10.693 5.899 1.00 0.00 H new ATOM 993 N GLN A 68 5.666 -11.768 4.540 1.00 0.00 N ATOM 994 CA GLN A 68 4.547 -12.642 4.846 1.00 0.00 C ATOM 995 C GLN A 68 3.374 -12.350 3.908 1.00 0.00 C ATOM 996 O GLN A 68 3.490 -11.528 3.000 1.00 0.00 O ATOM 997 CB GLN A 68 4.126 -12.503 6.310 1.00 0.00 C ATOM 998 CG GLN A 68 4.175 -11.041 6.758 1.00 0.00 C ATOM 999 CD GLN A 68 5.604 -10.621 7.106 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.404 -11.399 7.600 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.880 -9.352 6.823 1.00 0.00 N ATOM 0 H GLN A 68 5.477 -10.774 4.665 1.00 0.00 H new ATOM 0 HA GLN A 68 4.864 -13.673 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.117 -12.893 6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.784 -13.102 6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.787 -10.401 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.530 -10.901 7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.164 -8.754 6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.808 -8.976 7.019 1.00 0.00 H new ATOM 1010 N THR A 69 2.271 -13.040 4.159 1.00 0.00 N ATOM 1011 CA THR A 69 1.078 -12.865 3.348 1.00 0.00 C ATOM 1012 C THR A 69 0.428 -11.512 3.641 1.00 0.00 C ATOM 1013 O THR A 69 0.515 -11.006 4.759 1.00 0.00 O ATOM 1014 CB THR A 69 0.150 -14.054 3.609 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.237 -13.899 4.972 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.892 -15.392 3.583 1.00 0.00 C ATOM 0 H THR A 69 2.178 -13.721 4.912 1.00 0.00 H new ATOM 0 HA THR A 69 1.321 -12.851 2.285 1.00 0.00 H new ATOM 0 HB THR A 69 -0.645 -14.065 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.842 -14.627 5.225 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.188 -16.202 3.774 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.352 -15.534 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.665 -15.394 4.352 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.209 -10.963 2.616 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.873 -9.678 2.750 1.00 0.00 C ATOM 1026 C ALA A 70 -1.696 -9.665 4.039 1.00 0.00 C ATOM 1027 O ALA A 70 -1.584 -8.740 4.843 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.729 -9.414 1.509 1.00 0.00 C ATOM 0 H ALA A 70 -0.279 -11.385 1.690 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.141 -8.873 2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.227 -8.450 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.093 -9.403 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.477 -10.200 1.409 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.505 -10.702 4.197 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.347 -10.822 5.375 1.00 0.00 C ATOM 1036 C GLY A 71 -2.517 -10.709 6.656 1.00 0.00 C ATOM 1037 O GLY A 71 -3.037 -10.336 7.706 1.00 0.00 O ATOM 0 H GLY A 71 -2.595 -11.467 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.110 -10.044 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.868 -11.779 5.358 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.241 -11.039 6.526 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.334 -10.980 7.660 1.00 0.00 C ATOM 1043 C ASN A 72 0.418 -9.647 7.638 1.00 0.00 C ATOM 1044 O ASN A 72 0.954 -9.216 8.657 1.00 0.00 O ATOM 1045 CB ASN A 72 0.700 -12.106 7.598 1.00 0.00 C ATOM 1046 CG ASN A 72 0.428 -13.160 8.674 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -0.106 -12.879 9.734 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.824 -14.386 8.343 1.00 0.00 N ATOM 0 H ASN A 72 -0.813 -11.348 5.653 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.926 -11.083 8.570 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.677 -12.572 6.613 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.700 -11.694 7.732 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.687 -15.159 8.994 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.265 -14.553 7.438 1.00 0.00 H new ATOM 1055 N VAL A 73 0.432 -9.032 6.464 1.00 0.00 N ATOM 1056 CA VAL A 73 1.108 -7.757 6.296 1.00 0.00 C ATOM 1057 C VAL A 73 0.159 -6.625 6.693 1.00 0.00 C ATOM 1058 O VAL A 73 0.546 -5.715 7.426 1.00 0.00 O ATOM 1059 CB VAL A 73 1.628 -7.626 4.862 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.211 -6.233 4.616 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.657 -8.715 4.551 1.00 0.00 C ATOM 0 H VAL A 73 -0.014 -9.393 5.621 1.00 0.00 H new ATOM 0 HA VAL A 73 1.978 -7.696 6.950 1.00 0.00 H new ATOM 0 HB VAL A 73 0.784 -7.760 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.573 -6.166 3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.438 -5.481 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.037 -6.058 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.011 -8.600 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.499 -8.627 5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.195 -9.696 4.667 1.00 0.00 H new ATOM 1071 N PHE A 74 -1.064 -6.718 6.194 1.00 0.00 N ATOM 1072 CA PHE A 74 -2.071 -5.713 6.488 1.00 0.00 C ATOM 1073 C PHE A 74 -2.540 -5.815 7.941 1.00 0.00 C ATOM 1074 O PHE A 74 -3.193 -4.906 8.451 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.258 -5.984 5.561 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.420 -6.716 6.236 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.218 -7.938 6.798 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.654 -6.146 6.273 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.296 -8.618 7.424 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.731 -6.826 6.899 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.530 -8.047 7.462 1.00 0.00 C ATOM 0 H PHE A 74 -1.381 -7.474 5.587 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.657 -4.716 6.337 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.621 -5.035 5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.915 -6.574 4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.238 -8.391 6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.814 -5.176 5.826 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.136 -9.589 7.870 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.711 -6.373 6.928 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.350 -8.563 7.939 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.188 -6.929 8.566 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.564 -7.162 9.950 1.00 0.00 C ATOM 1093 C LEU A 75 -1.458 -6.640 10.869 1.00 0.00 C ATOM 1094 O LEU A 75 -1.731 -5.916 11.825 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.904 -8.637 10.172 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.627 -8.969 11.478 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.139 -9.060 11.261 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -3.061 -10.243 12.109 1.00 0.00 C ATOM 0 H LEU A 75 -1.646 -7.680 8.139 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.471 -6.610 10.197 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.523 -8.976 9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.979 -9.212 10.136 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.452 -8.155 12.182 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.629 -9.297 12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.511 -8.105 10.889 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.356 -9.842 10.534 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.592 -10.457 13.036 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.186 -11.077 11.419 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.001 -10.104 12.322 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.233 -7.028 10.547 1.00 0.00 N ATOM 1111 CA LYS A 76 0.915 -6.609 11.332 1.00 0.00 C ATOM 1112 C LYS A 76 1.101 -5.097 11.189 1.00 0.00 C ATOM 1113 O LYS A 76 1.337 -4.401 12.175 1.00 0.00 O ATOM 1114 CB LYS A 76 2.154 -7.420 10.946 1.00 0.00 C ATOM 1115 CG LYS A 76 2.776 -6.888 9.653 1.00 0.00 C ATOM 1116 CD LYS A 76 4.090 -7.606 9.341 1.00 0.00 C ATOM 1117 CE LYS A 76 5.285 -6.828 9.896 1.00 0.00 C ATOM 1118 NZ LYS A 76 5.922 -7.577 11.002 1.00 0.00 N ATOM 0 H LYS A 76 -0.011 -7.628 9.753 1.00 0.00 H new ATOM 0 HA LYS A 76 0.747 -6.812 12.390 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.887 -7.376 11.751 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.882 -8.468 10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.078 -7.024 8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.956 -5.817 9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.072 -8.608 9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.197 -7.724 8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.011 -6.651 9.103 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.957 -5.851 10.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.731 -7.035 11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.231 -7.724 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.252 -8.499 10.652 1.00 0.00 H new ATOM 1132 N HIS A 77 0.987 -4.633 9.953 1.00 0.00 N ATOM 1133 CA HIS A 77 1.140 -3.217 9.668 1.00 0.00 C ATOM 1134 C HIS A 77 -0.206 -2.510 9.843 1.00 0.00 C ATOM 1135 O HIS A 77 -0.294 -1.495 10.532 1.00 0.00 O ATOM 1136 CB HIS A 77 1.745 -3.004 8.279 1.00 0.00 C ATOM 1137 CG HIS A 77 3.145 -3.548 8.130 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.271 -2.830 8.494 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.590 -4.746 7.653 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.340 -3.572 8.242 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.915 -4.759 7.721 1.00 0.00 N ATOM 0 H HIS A 77 0.790 -5.213 9.137 1.00 0.00 H new ATOM 0 HA HIS A 77 1.839 -2.774 10.377 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.101 -3.477 7.537 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.755 -1.937 8.058 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.969 -5.548 7.283 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.367 -3.287 8.418 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.517 -5.530 7.431 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.222 -3.076 9.207 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.559 -2.513 9.284 1.00 0.00 C ATOM 1151 C GLY A 78 -3.162 -2.340 7.888 1.00 0.00 C ATOM 1152 O GLY A 78 -2.551 -2.725 6.892 1.00 0.00 O ATOM 0 H GLY A 78 -1.146 -3.918 8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.198 -3.163 9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.523 -1.549 9.791 1.00 0.00 H new ATOM 1156 N SER A 79 -4.353 -1.759 7.860 1.00 0.00 N ATOM 1157 CA SER A 79 -5.045 -1.530 6.603 1.00 0.00 C ATOM 1158 C SER A 79 -4.819 -0.091 6.137 1.00 0.00 C ATOM 1159 O SER A 79 -4.835 0.186 4.938 1.00 0.00 O ATOM 1160 CB SER A 79 -6.542 -1.816 6.739 1.00 0.00 C ATOM 1161 OG SER A 79 -7.243 -0.724 7.328 1.00 0.00 O ATOM 0 H SER A 79 -4.856 -1.440 8.688 1.00 0.00 H new ATOM 0 HA SER A 79 -4.639 -2.214 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.961 -2.028 5.755 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.687 -2.709 7.346 1.00 0.00 H new ATOM 0 HG SER A 79 -8.195 -0.945 7.396 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.615 0.787 7.108 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.387 2.191 6.811 1.00 0.00 C ATOM 1169 C GLU A 80 -2.893 2.456 6.616 1.00 0.00 C ATOM 1170 O GLU A 80 -2.126 2.442 7.578 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.964 3.085 7.911 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.493 3.051 7.900 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.074 4.344 8.474 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.655 5.418 7.992 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.925 4.230 9.383 1.00 0.00 O ATOM 0 H GLU A 80 -4.603 0.553 8.101 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.904 2.435 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.596 2.755 8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.619 4.109 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.850 2.909 6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.846 2.200 8.482 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.525 2.692 5.365 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.136 2.960 5.032 1.00 0.00 C ATOM 1184 C LEU A 81 -1.076 4.016 3.927 1.00 0.00 C ATOM 1185 O LEU A 81 -2.111 4.486 3.455 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.409 1.660 4.681 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.871 0.409 5.431 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.512 -0.859 4.654 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.313 0.387 6.855 1.00 0.00 C ATOM 0 H LEU A 81 -3.164 2.703 4.570 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.609 3.370 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.522 1.481 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.655 1.800 4.870 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.958 0.440 5.512 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.851 -1.734 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.997 -0.837 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.569 -0.910 4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.656 -0.512 7.366 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.776 0.391 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.661 1.267 7.396 1.00 0.00 H new ATOM 1201 N ARG A 82 0.145 4.359 3.546 1.00 0.00 N ATOM 1202 CA ARG A 82 0.354 5.352 2.505 1.00 0.00 C ATOM 1203 C ARG A 82 1.294 4.803 1.429 1.00 0.00 C ATOM 1204 O ARG A 82 2.178 4.000 1.723 1.00 0.00 O ATOM 1205 CB ARG A 82 0.946 6.639 3.082 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.117 7.443 3.834 1.00 0.00 C ATOM 1207 CD ARG A 82 0.386 7.856 5.218 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.746 7.919 6.170 1.00 0.00 N ATOM 1209 CZ ARG A 82 -0.618 8.214 7.471 1.00 0.00 C ATOM 1210 NH1 ARG A 82 0.593 8.475 7.983 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -1.701 8.249 8.259 1.00 0.00 N ATOM 0 H ARG A 82 1.001 3.967 3.939 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.616 5.579 2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.767 6.395 3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.363 7.244 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.381 8.331 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.024 6.848 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.130 7.142 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.878 8.827 5.160 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.682 7.726 5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.417 8.449 7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.690 8.700 8.973 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.622 8.051 7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.604 8.473 9.249 1.00 0.00 H new ATOM 1225 N ILE A 83 1.070 5.259 0.205 1.00 0.00 N ATOM 1226 CA ILE A 83 1.886 4.824 -0.916 1.00 0.00 C ATOM 1227 C ILE A 83 2.708 6.007 -1.432 1.00 0.00 C ATOM 1228 O ILE A 83 2.169 6.910 -2.071 1.00 0.00 O ATOM 1229 CB ILE A 83 1.016 4.165 -1.988 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.830 3.171 -2.819 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.331 5.218 -2.861 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.911 2.232 -3.604 1.00 0.00 C ATOM 0 H ILE A 83 0.336 5.925 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 83 2.594 4.058 -0.598 1.00 0.00 H new ATOM 0 HB ILE A 83 0.229 3.599 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.478 3.712 -3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.478 2.588 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.281 4.723 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.301 5.851 -2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.087 5.831 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.514 1.535 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.282 1.675 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.282 2.816 -4.275 1.00 0.00 H new ATOM 1244 N ILE A 84 3.999 5.964 -1.136 1.00 0.00 N ATOM 1245 CA ILE A 84 4.900 7.021 -1.562 1.00 0.00 C ATOM 1246 C ILE A 84 5.782 6.505 -2.701 1.00 0.00 C ATOM 1247 O ILE A 84 6.005 5.301 -2.821 1.00 0.00 O ATOM 1248 CB ILE A 84 5.690 7.565 -0.370 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.743 6.558 0.095 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.752 7.980 0.766 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.121 6.902 -0.475 1.00 0.00 C ATOM 0 H ILE A 84 4.442 5.214 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 84 4.336 7.868 -1.953 1.00 0.00 H new ATOM 0 HB ILE A 84 6.221 8.461 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.788 6.550 1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.456 5.555 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.339 8.363 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.074 8.757 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.174 7.116 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.851 6.170 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.079 6.885 -1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.416 7.896 -0.139 1.00 0.00 H new ATOM 1263 N PRO A 85 6.273 7.466 -3.528 1.00 0.00 N ATOM 1264 CA PRO A 85 7.126 7.121 -4.653 1.00 0.00 C ATOM 1265 C PRO A 85 8.535 6.758 -4.181 1.00 0.00 C ATOM 1266 O PRO A 85 9.073 7.392 -3.274 1.00 0.00 O ATOM 1267 CB PRO A 85 7.098 8.342 -5.557 1.00 0.00 C ATOM 1268 CG PRO A 85 6.612 9.492 -4.690 1.00 0.00 C ATOM 1269 CD PRO A 85 6.030 8.901 -3.416 1.00 0.00 C ATOM 0 HA PRO A 85 6.779 6.238 -5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.088 8.550 -5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.432 8.184 -6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.434 10.168 -4.456 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.859 10.077 -5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.512 9.316 -2.531 1.00 0.00 H new ATOM 0 HD3 PRO A 85 4.965 9.117 -3.330 1.00 0.00 H new ATOM 1277 N ARG A 86 9.094 5.739 -4.818 1.00 0.00 N ATOM 1278 CA ARG A 86 10.431 5.285 -4.474 1.00 0.00 C ATOM 1279 C ARG A 86 11.469 5.961 -5.373 1.00 0.00 C ATOM 1280 O ARG A 86 11.697 5.524 -6.500 1.00 0.00 O ATOM 1281 CB ARG A 86 10.551 3.766 -4.621 1.00 0.00 C ATOM 1282 CG ARG A 86 11.345 3.164 -3.460 1.00 0.00 C ATOM 1283 CD ARG A 86 12.132 1.934 -3.914 1.00 0.00 C ATOM 1284 NE ARG A 86 12.613 1.177 -2.736 1.00 0.00 N ATOM 1285 CZ ARG A 86 13.199 -0.026 -2.804 1.00 0.00 C ATOM 1286 NH1 ARG A 86 13.381 -0.617 -3.992 1.00 0.00 N ATOM 1287 NH2 ARG A 86 13.603 -0.638 -1.682 1.00 0.00 N ATOM 0 H ARG A 86 8.646 5.215 -5.570 1.00 0.00 H new ATOM 0 HA ARG A 86 10.616 5.554 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.557 3.321 -4.656 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.041 3.526 -5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.030 3.910 -3.058 1.00 0.00 H new ATOM 0 HG3 ARG A 86 10.665 2.888 -2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.501 1.297 -4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.978 2.240 -4.530 1.00 0.00 H new ATOM 0 HE ARG A 86 12.491 1.598 -1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.073 -0.151 -4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.827 -1.533 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.464 -0.188 -0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.049 -1.554 -1.733 1.00 0.00 H new