USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 601 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 CYS SG : rot 70:sc= -4.84! USER MOD Set 1.2: A 51 THR OG1 : rot 121:sc= 0.889 USER MOD Single : A 10 THR OG1 : rot -31:sc= 0.77 USER MOD Single : A 16 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.042) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -93:sc= 1.07 USER MOD Single : A 21 GLN : amide:sc= -0.0199 K(o=-0.02,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc=0.000949 USER MOD Single : A 34 GLN : amide:sc= -0.0693 K(o=-0.069,f=-1.4!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 154:sc=-0.00551 (180deg=-0.284) USER MOD Single : A 44 CYS SG : rot -147:sc= -3.74! USER MOD Single : A 50 HIS : no HD1:sc= -1.22 K(o=-1.2,f=0.0051) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0254) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 12:sc= 1.25 USER MOD Single : A 60 GLN : amide:sc=-0.00484 K(o=-0.0048,f=-0.67) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -1.18 USER MOD Single : A 70 ASN : amide:sc= -0.058 X(o=-0.058,f=-0.39) USER MOD Single : A 78 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 80 MET CE :methyl -132:sc= -0.324 (180deg=-1.42) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 0.379 -14.570 -4.623 1.00 0.00 N ATOM 104 CA THR A 10 0.521 -13.127 -4.534 1.00 0.00 C ATOM 105 C THR A 10 0.397 -12.492 -5.920 1.00 0.00 C ATOM 106 O THR A 10 0.748 -13.111 -6.924 1.00 0.00 O ATOM 107 CB THR A 10 1.853 -12.825 -3.845 1.00 0.00 C ATOM 108 OG1 THR A 10 2.741 -13.816 -4.356 1.00 0.00 O ATOM 109 CG2 THR A 10 1.811 -13.103 -2.341 1.00 0.00 C ATOM 0 HA THR A 10 -0.278 -12.687 -3.937 1.00 0.00 H new ATOM 0 HB THR A 10 2.120 -11.782 -4.014 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.240 -14.636 -4.550 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.781 -12.872 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.045 -12.481 -1.877 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.577 -14.154 -2.172 1.00 0.00 H new ATOM 117 N VAL A 11 -0.105 -11.266 -5.932 1.00 0.00 N ATOM 118 CA VAL A 11 -0.280 -10.541 -7.179 1.00 0.00 C ATOM 119 C VAL A 11 0.733 -9.396 -7.244 1.00 0.00 C ATOM 120 O VAL A 11 1.177 -8.896 -6.212 1.00 0.00 O ATOM 121 CB VAL A 11 -1.729 -10.066 -7.309 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.687 -11.253 -7.420 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.115 -9.158 -6.139 1.00 0.00 C ATOM 0 H VAL A 11 -0.396 -10.756 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.088 -11.193 -8.031 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.810 -9.483 -8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.710 -10.888 -7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.433 -11.844 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.602 -11.874 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.149 -8.834 -6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.010 -9.706 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.461 -8.286 -6.124 1.00 0.00 H new ATOM 133 N ARG A 12 1.068 -9.015 -8.468 1.00 0.00 N ATOM 134 CA ARG A 12 2.020 -7.938 -8.682 1.00 0.00 C ATOM 135 C ARG A 12 1.323 -6.581 -8.562 1.00 0.00 C ATOM 136 O ARG A 12 0.399 -6.285 -9.317 1.00 0.00 O ATOM 137 CB ARG A 12 2.674 -8.047 -10.061 1.00 0.00 C ATOM 138 CG ARG A 12 1.725 -7.560 -11.158 1.00 0.00 C ATOM 139 CD ARG A 12 2.192 -8.033 -12.536 1.00 0.00 C ATOM 140 NE ARG A 12 1.081 -7.936 -13.508 1.00 0.00 N ATOM 141 CZ ARG A 12 1.218 -8.121 -14.828 1.00 0.00 C ATOM 142 NH1 ARG A 12 2.421 -8.414 -15.342 1.00 0.00 N ATOM 143 NH2 ARG A 12 0.154 -8.012 -15.635 1.00 0.00 N ATOM 0 H ARG A 12 0.697 -9.433 -9.322 1.00 0.00 H new ATOM 0 HA ARG A 12 2.793 -8.022 -7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.591 -7.458 -10.080 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.956 -9.082 -10.253 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.718 -7.931 -10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.672 -6.471 -11.142 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.034 -7.427 -12.872 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.545 -9.063 -12.476 1.00 0.00 H new ATOM 0 HE ARG A 12 0.152 -7.714 -13.151 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.232 -8.496 -14.728 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.526 -8.555 -16.347 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.761 -7.788 -15.245 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.259 -8.153 -16.640 1.00 0.00 H new ATOM 157 N VAL A 13 1.793 -5.793 -7.606 1.00 0.00 N ATOM 158 CA VAL A 13 1.226 -4.475 -7.377 1.00 0.00 C ATOM 159 C VAL A 13 2.275 -3.410 -7.706 1.00 0.00 C ATOM 160 O VAL A 13 3.463 -3.606 -7.456 1.00 0.00 O ATOM 161 CB VAL A 13 0.700 -4.373 -5.944 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.224 -2.952 -5.634 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.415 -5.391 -5.696 1.00 0.00 C ATOM 0 H VAL A 13 2.560 -6.042 -6.981 1.00 0.00 H new ATOM 0 HA VAL A 13 0.373 -4.306 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 13 1.523 -4.605 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.145 -2.907 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.055 -2.256 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.578 -2.679 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.771 -5.298 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.239 -5.203 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.030 -6.398 -5.856 1.00 0.00 H new ATOM 173 N VAL A 14 1.796 -2.306 -8.260 1.00 0.00 N ATOM 174 CA VAL A 14 2.677 -1.210 -8.626 1.00 0.00 C ATOM 175 C VAL A 14 2.767 -0.223 -7.460 1.00 0.00 C ATOM 176 O VAL A 14 1.804 0.482 -7.163 1.00 0.00 O ATOM 177 CB VAL A 14 2.193 -0.559 -9.924 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.973 0.724 -10.218 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.287 -1.539 -11.095 1.00 0.00 C ATOM 0 H VAL A 14 0.809 -2.147 -8.464 1.00 0.00 H new ATOM 0 HA VAL A 14 3.684 -1.579 -8.819 1.00 0.00 H new ATOM 0 HB VAL A 14 1.145 -0.290 -9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.609 1.166 -11.145 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.833 1.430 -9.400 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.033 0.490 -10.319 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.937 -1.052 -12.006 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.323 -1.852 -11.226 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.668 -2.412 -10.889 1.00 0.00 H new ATOM 189 N ILE A 15 3.933 -0.204 -6.831 1.00 0.00 N ATOM 190 CA ILE A 15 4.160 0.685 -5.704 1.00 0.00 C ATOM 191 C ILE A 15 4.781 1.990 -6.207 1.00 0.00 C ATOM 192 O ILE A 15 5.993 2.072 -6.397 1.00 0.00 O ATOM 193 CB ILE A 15 4.992 -0.017 -4.628 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.306 -1.301 -4.156 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.296 0.931 -3.466 1.00 0.00 C ATOM 196 CD1 ILE A 15 3.076 -0.985 -3.304 1.00 0.00 C ATOM 0 H ILE A 15 4.730 -0.790 -7.080 1.00 0.00 H new ATOM 0 HA ILE A 15 3.215 0.944 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 15 5.947 -0.305 -5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.011 -1.898 -5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.009 -1.901 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.888 0.408 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.855 1.791 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.361 1.270 -3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.608 -1.915 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.378 -0.409 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.365 -0.406 -3.893 1.00 0.00 H new ATOM 208 N ASN A 16 3.921 2.977 -6.408 1.00 0.00 N ATOM 209 CA ASN A 16 4.369 4.275 -6.885 1.00 0.00 C ATOM 210 C ASN A 16 4.786 5.136 -5.691 1.00 0.00 C ATOM 211 O ASN A 16 4.001 5.344 -4.767 1.00 0.00 O ATOM 212 CB ASN A 16 3.249 5.006 -7.627 1.00 0.00 C ATOM 213 CG ASN A 16 2.836 4.242 -8.887 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.516 4.250 -9.900 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.687 3.583 -8.767 1.00 0.00 N ATOM 0 H ASN A 16 2.916 2.905 -6.249 1.00 0.00 H new ATOM 0 HA ASN A 16 5.206 4.114 -7.564 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.388 5.122 -6.969 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.581 6.008 -7.898 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.325 3.042 -9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.168 3.619 -7.890 1.00 0.00 H new ATOM 222 N PHE A 17 6.021 5.613 -5.749 1.00 0.00 N ATOM 223 CA PHE A 17 6.551 6.448 -4.684 1.00 0.00 C ATOM 224 C PHE A 17 7.483 7.525 -5.244 1.00 0.00 C ATOM 225 O PHE A 17 8.006 7.385 -6.348 1.00 0.00 O ATOM 226 CB PHE A 17 7.350 5.532 -3.754 1.00 0.00 C ATOM 227 CG PHE A 17 8.603 4.933 -4.397 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.787 5.599 -4.328 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.533 3.735 -5.036 1.00 0.00 C ATOM 230 CE1 PHE A 17 10.950 5.044 -4.924 1.00 0.00 C ATOM 231 CE2 PHE A 17 9.696 3.179 -5.632 1.00 0.00 C ATOM 232 CZ PHE A 17 10.880 3.845 -5.563 1.00 0.00 C ATOM 0 H PHE A 17 6.670 5.437 -6.516 1.00 0.00 H new ATOM 0 HA PHE A 17 5.735 6.948 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.643 6.096 -2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.704 4.721 -3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.842 6.550 -3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.593 3.206 -5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.890 5.573 -4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.640 2.228 -6.140 1.00 0.00 H new ATOM 0 HZ PHE A 17 11.765 3.422 -6.016 1.00 0.00 H new ATOM 242 N LYS A 18 7.662 8.574 -4.455 1.00 0.00 N ATOM 243 CA LYS A 18 8.522 9.674 -4.858 1.00 0.00 C ATOM 244 C LYS A 18 7.888 10.402 -6.045 1.00 0.00 C ATOM 245 O LYS A 18 8.527 11.246 -6.673 1.00 0.00 O ATOM 246 CB LYS A 18 9.942 9.173 -5.130 1.00 0.00 C ATOM 247 CG LYS A 18 10.825 9.329 -3.891 1.00 0.00 C ATOM 248 CD LYS A 18 12.293 9.513 -4.284 1.00 0.00 C ATOM 249 CE LYS A 18 13.218 8.806 -3.292 1.00 0.00 C ATOM 250 NZ LYS A 18 14.118 9.781 -2.637 1.00 0.00 N ATOM 0 H LYS A 18 7.227 8.686 -3.539 1.00 0.00 H new ATOM 0 HA LYS A 18 8.615 10.400 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.911 8.125 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.375 9.729 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.491 10.187 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.723 8.450 -3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.457 9.117 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.534 10.576 -4.318 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.625 8.287 -2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.807 8.050 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.739 9.284 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.697 10.258 -3.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.551 10.487 -2.126 1.00 0.00 H new ATOM 264 N LYS A 19 6.641 10.049 -6.318 1.00 0.00 N ATOM 265 CA LYS A 19 5.914 10.659 -7.419 1.00 0.00 C ATOM 266 C LYS A 19 6.775 10.607 -8.683 1.00 0.00 C ATOM 267 O LYS A 19 6.666 11.475 -9.548 1.00 0.00 O ATOM 268 CB LYS A 19 5.457 12.070 -7.043 1.00 0.00 C ATOM 269 CG LYS A 19 4.363 12.025 -5.974 1.00 0.00 C ATOM 270 CD LYS A 19 3.489 13.279 -6.032 1.00 0.00 C ATOM 271 CE LYS A 19 3.800 14.219 -4.866 1.00 0.00 C ATOM 272 NZ LYS A 19 2.572 14.509 -4.092 1.00 0.00 N ATOM 0 H LYS A 19 6.115 9.348 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 19 5.002 10.100 -7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.307 12.645 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.084 12.584 -7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.744 11.139 -6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.817 11.939 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.654 13.798 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.437 12.995 -6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.548 13.766 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.227 15.148 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.801 15.148 -3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.870 14.961 -4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.181 13.622 -3.715 1.00 0.00 H new ATOM 286 N THR A 20 7.611 9.581 -8.750 1.00 0.00 N ATOM 287 CA THR A 20 8.489 9.405 -9.893 1.00 0.00 C ATOM 288 C THR A 20 8.928 7.944 -10.009 1.00 0.00 C ATOM 289 O THR A 20 8.767 7.325 -11.059 1.00 0.00 O ATOM 290 CB THR A 20 9.658 10.381 -9.746 1.00 0.00 C ATOM 291 OG1 THR A 20 10.059 10.240 -8.386 1.00 0.00 O ATOM 292 CG2 THR A 20 9.219 11.843 -9.855 1.00 0.00 C ATOM 0 H THR A 20 7.698 8.863 -8.031 1.00 0.00 H new ATOM 0 HA THR A 20 7.973 9.631 -10.826 1.00 0.00 H new ATOM 0 HB THR A 20 10.405 10.169 -10.511 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.600 10.911 -7.838 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.087 12.493 -9.744 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.761 12.014 -10.829 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.496 12.065 -9.070 1.00 0.00 H new ATOM 300 N GLN A 21 9.474 7.436 -8.914 1.00 0.00 N ATOM 301 CA GLN A 21 9.938 6.059 -8.879 1.00 0.00 C ATOM 302 C GLN A 21 8.791 5.123 -8.492 1.00 0.00 C ATOM 303 O GLN A 21 7.819 5.549 -7.871 1.00 0.00 O ATOM 304 CB GLN A 21 11.120 5.902 -7.921 1.00 0.00 C ATOM 305 CG GLN A 21 12.387 6.530 -8.507 1.00 0.00 C ATOM 306 CD GLN A 21 13.617 6.157 -7.677 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.658 5.141 -7.002 1.00 0.00 O ATOM 308 NE2 GLN A 21 14.614 7.033 -7.765 1.00 0.00 N ATOM 0 H GLN A 21 9.606 7.953 -8.045 1.00 0.00 H new ATOM 0 HA GLN A 21 10.283 5.787 -9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.884 6.373 -6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.293 4.845 -7.721 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.522 6.194 -9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.279 7.614 -8.538 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.513 7.863 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.479 6.874 -7.249 1.00 0.00 H new ATOM 317 N LYS A 22 8.943 3.863 -8.875 1.00 0.00 N ATOM 318 CA LYS A 22 7.932 2.863 -8.576 1.00 0.00 C ATOM 319 C LYS A 22 8.597 1.489 -8.467 1.00 0.00 C ATOM 320 O LYS A 22 9.612 1.234 -9.113 1.00 0.00 O ATOM 321 CB LYS A 22 6.802 2.919 -9.606 1.00 0.00 C ATOM 322 CG LYS A 22 7.350 2.796 -11.029 1.00 0.00 C ATOM 323 CD LYS A 22 6.501 1.834 -11.862 1.00 0.00 C ATOM 324 CE LYS A 22 7.369 1.045 -12.844 1.00 0.00 C ATOM 325 NZ LYS A 22 7.732 1.886 -14.006 1.00 0.00 N ATOM 0 H LYS A 22 9.751 3.512 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 22 7.465 3.069 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.091 2.115 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.257 3.857 -9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.365 3.777 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.381 2.442 -10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.974 1.145 -11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.743 2.394 -12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.272 0.698 -12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.832 0.159 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.321 1.335 -14.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.867 2.196 -14.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.263 2.718 -13.680 1.00 0.00 H new ATOM 339 N THR A 23 7.998 0.641 -7.645 1.00 0.00 N ATOM 340 CA THR A 23 8.519 -0.700 -7.443 1.00 0.00 C ATOM 341 C THR A 23 7.378 -1.719 -7.426 1.00 0.00 C ATOM 342 O THR A 23 6.294 -1.435 -6.918 1.00 0.00 O ATOM 343 CB THR A 23 9.349 -0.696 -6.157 1.00 0.00 C ATOM 344 OG1 THR A 23 9.997 -1.966 -6.158 1.00 0.00 O ATOM 345 CG2 THR A 23 8.479 -0.723 -4.899 1.00 0.00 C ATOM 0 H THR A 23 7.156 0.856 -7.111 1.00 0.00 H new ATOM 0 HA THR A 23 9.168 -1.000 -8.266 1.00 0.00 H new ATOM 0 HB THR A 23 9.986 0.188 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.558 -2.048 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.117 -0.719 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.833 0.155 -4.884 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.866 -1.624 -4.900 1.00 0.00 H new ATOM 353 N ILE A 24 7.660 -2.885 -7.988 1.00 0.00 N ATOM 354 CA ILE A 24 6.671 -3.948 -8.044 1.00 0.00 C ATOM 355 C ILE A 24 6.904 -4.918 -6.884 1.00 0.00 C ATOM 356 O ILE A 24 8.046 -5.240 -6.559 1.00 0.00 O ATOM 357 CB ILE A 24 6.683 -4.620 -9.419 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.239 -3.644 -10.510 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.840 -5.896 -9.413 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.723 -3.438 -10.477 1.00 0.00 C ATOM 0 H ILE A 24 8.560 -3.117 -8.409 1.00 0.00 H new ATOM 0 HA ILE A 24 5.667 -3.540 -7.923 1.00 0.00 H new ATOM 0 HB ILE A 24 7.708 -4.913 -9.647 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.743 -2.687 -10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.537 -4.025 -11.487 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.866 -6.354 -10.402 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.242 -6.595 -8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.810 -5.651 -9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.433 -2.740 -11.262 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.222 -4.393 -10.638 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.432 -3.034 -9.507 1.00 0.00 H new ATOM 372 N VAL A 25 5.803 -5.356 -6.291 1.00 0.00 N ATOM 373 CA VAL A 25 5.874 -6.283 -5.174 1.00 0.00 C ATOM 374 C VAL A 25 4.797 -7.358 -5.340 1.00 0.00 C ATOM 375 O VAL A 25 3.763 -7.115 -5.959 1.00 0.00 O ATOM 376 CB VAL A 25 5.757 -5.520 -3.853 1.00 0.00 C ATOM 377 CG1 VAL A 25 6.845 -4.450 -3.740 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.365 -4.905 -3.695 1.00 0.00 C ATOM 0 H VAL A 25 4.858 -5.086 -6.563 1.00 0.00 H new ATOM 0 HA VAL A 25 6.839 -6.789 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 25 5.902 -6.233 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.739 -3.922 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.826 -4.923 -3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.746 -3.742 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.310 -4.369 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.178 -4.212 -4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.614 -5.695 -3.709 1.00 0.00 H new ATOM 388 N ARG A 26 5.078 -8.523 -4.775 1.00 0.00 N ATOM 389 CA ARG A 26 4.147 -9.636 -4.853 1.00 0.00 C ATOM 390 C ARG A 26 3.544 -9.921 -3.475 1.00 0.00 C ATOM 391 O ARG A 26 4.219 -10.455 -2.597 1.00 0.00 O ATOM 392 CB ARG A 26 4.840 -10.898 -5.369 1.00 0.00 C ATOM 393 CG ARG A 26 4.213 -11.369 -6.683 1.00 0.00 C ATOM 394 CD ARG A 26 5.278 -11.924 -7.631 1.00 0.00 C ATOM 395 NE ARG A 26 4.704 -13.007 -8.460 1.00 0.00 N ATOM 396 CZ ARG A 26 5.434 -13.911 -9.127 1.00 0.00 C ATOM 397 NH1 ARG A 26 6.772 -13.867 -9.066 1.00 0.00 N ATOM 398 NH2 ARG A 26 4.827 -14.858 -9.854 1.00 0.00 N ATOM 0 H ARG A 26 5.937 -8.720 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 26 3.356 -9.359 -5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.901 -10.699 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.766 -11.689 -4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.467 -12.137 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.693 -10.538 -7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.657 -11.127 -8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.124 -12.303 -7.058 1.00 0.00 H new ATOM 0 HE ARG A 26 3.688 -13.069 -8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.234 -13.146 -8.512 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.329 -14.555 -9.573 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.809 -14.891 -9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.383 -15.546 -10.362 1.00 0.00 H new ATOM 412 N VAL A 27 2.280 -9.551 -3.330 1.00 0.00 N ATOM 413 CA VAL A 27 1.578 -9.760 -2.075 1.00 0.00 C ATOM 414 C VAL A 27 0.198 -10.354 -2.361 1.00 0.00 C ATOM 415 O VAL A 27 -0.221 -10.435 -3.514 1.00 0.00 O ATOM 416 CB VAL A 27 1.514 -8.450 -1.287 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.867 -8.127 -0.649 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.038 -7.298 -2.175 1.00 0.00 C ATOM 0 H VAL A 27 1.724 -9.108 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 27 2.116 -10.473 -1.450 1.00 0.00 H new ATOM 0 HB VAL A 27 0.787 -8.577 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.794 -7.191 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.149 -8.930 0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.623 -8.029 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.002 -6.379 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.730 -7.171 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.043 -7.523 -2.560 1.00 0.00 H new ATOM 428 N SER A 28 -0.472 -10.754 -1.289 1.00 0.00 N ATOM 429 CA SER A 28 -1.797 -11.338 -1.410 1.00 0.00 C ATOM 430 C SER A 28 -2.848 -10.233 -1.524 1.00 0.00 C ATOM 431 O SER A 28 -2.831 -9.273 -0.755 1.00 0.00 O ATOM 432 CB SER A 28 -2.109 -12.247 -0.219 1.00 0.00 C ATOM 433 OG SER A 28 -2.422 -13.575 -0.629 1.00 0.00 O ATOM 0 H SER A 28 -0.122 -10.685 -0.334 1.00 0.00 H new ATOM 0 HA SER A 28 -1.821 -11.947 -2.314 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.253 -12.268 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.947 -11.834 0.343 1.00 0.00 H new ATOM 0 HG SER A 28 -2.613 -14.124 0.160 1.00 0.00 H new ATOM 439 N PRO A 29 -3.762 -10.409 -2.516 1.00 0.00 N ATOM 440 CA PRO A 29 -4.819 -9.437 -2.740 1.00 0.00 C ATOM 441 C PRO A 29 -5.906 -9.553 -1.670 1.00 0.00 C ATOM 442 O PRO A 29 -6.809 -8.720 -1.605 1.00 0.00 O ATOM 443 CB PRO A 29 -5.331 -9.730 -4.141 1.00 0.00 C ATOM 444 CG PRO A 29 -4.867 -11.139 -4.469 1.00 0.00 C ATOM 445 CD PRO A 29 -3.814 -11.533 -3.446 1.00 0.00 C ATOM 0 HA PRO A 29 -4.468 -8.408 -2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.418 -9.657 -4.183 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.936 -9.012 -4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.706 -11.834 -4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.454 -11.180 -5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.084 -12.457 -2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.846 -11.701 -3.918 1.00 0.00 H new ATOM 453 N HIS A 30 -5.784 -10.592 -0.857 1.00 0.00 N ATOM 454 CA HIS A 30 -6.745 -10.827 0.207 1.00 0.00 C ATOM 455 C HIS A 30 -6.429 -9.916 1.394 1.00 0.00 C ATOM 456 O HIS A 30 -7.197 -9.006 1.705 1.00 0.00 O ATOM 457 CB HIS A 30 -6.781 -12.308 0.589 1.00 0.00 C ATOM 458 CG HIS A 30 -7.297 -13.213 -0.505 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.626 -13.239 -0.891 1.00 0.00 N ATOM 460 CD2 HIS A 30 -6.650 -14.121 -1.290 1.00 0.00 C ATOM 461 CE1 HIS A 30 -8.761 -14.127 -1.865 1.00 0.00 C ATOM 462 NE2 HIS A 30 -7.535 -14.673 -2.111 1.00 0.00 N ATOM 0 H HIS A 30 -5.034 -11.281 -0.914 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.747 -10.577 -0.141 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.776 -12.626 0.865 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.408 -12.430 1.473 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.596 -14.352 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.680 -14.375 -2.375 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.332 -15.387 -2.810 1.00 0.00 H new ATOM 470 N ALA A 31 -5.298 -10.192 2.026 1.00 0.00 N ATOM 471 CA ALA A 31 -4.871 -9.408 3.173 1.00 0.00 C ATOM 472 C ALA A 31 -5.164 -7.930 2.912 1.00 0.00 C ATOM 473 O ALA A 31 -5.105 -7.473 1.771 1.00 0.00 O ATOM 474 CB ALA A 31 -3.389 -9.670 3.447 1.00 0.00 C ATOM 0 H ALA A 31 -4.664 -10.947 1.766 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.424 -9.701 4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.069 -9.082 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.239 -10.729 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.802 -9.385 2.574 1.00 0.00 H new ATOM 480 N SER A 32 -5.472 -7.221 3.989 1.00 0.00 N ATOM 481 CA SER A 32 -5.774 -5.804 3.891 1.00 0.00 C ATOM 482 C SER A 32 -4.477 -4.997 3.802 1.00 0.00 C ATOM 483 O SER A 32 -3.446 -5.413 4.329 1.00 0.00 O ATOM 484 CB SER A 32 -6.610 -5.335 5.083 1.00 0.00 C ATOM 485 OG SER A 32 -7.371 -6.396 5.652 1.00 0.00 O ATOM 0 H SER A 32 -5.519 -7.603 4.934 1.00 0.00 H new ATOM 0 HA SER A 32 -6.359 -5.641 2.985 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.953 -4.912 5.843 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.282 -4.538 4.764 1.00 0.00 H new ATOM 0 HG SER A 32 -7.889 -6.056 6.411 1.00 0.00 H new ATOM 491 N LEU A 33 -4.570 -3.858 3.132 1.00 0.00 N ATOM 492 CA LEU A 33 -3.417 -2.990 2.968 1.00 0.00 C ATOM 493 C LEU A 33 -2.779 -2.732 4.335 1.00 0.00 C ATOM 494 O LEU A 33 -1.563 -2.576 4.437 1.00 0.00 O ATOM 495 CB LEU A 33 -3.809 -1.713 2.222 1.00 0.00 C ATOM 496 CG LEU A 33 -4.305 -1.901 0.787 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.334 -0.830 0.418 1.00 0.00 C ATOM 498 CD2 LEU A 33 -3.135 -1.935 -0.198 1.00 0.00 C ATOM 0 H LEU A 33 -5.427 -3.516 2.696 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.661 -3.474 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.589 -1.208 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.946 -1.047 2.203 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.807 -2.866 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.670 -0.986 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.187 -0.896 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.879 0.157 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.516 -2.070 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.583 -0.997 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.472 -2.763 0.053 1.00 0.00 H new ATOM 510 N GLN A 34 -3.629 -2.695 5.351 1.00 0.00 N ATOM 511 CA GLN A 34 -3.163 -2.459 6.707 1.00 0.00 C ATOM 512 C GLN A 34 -2.043 -3.438 7.062 1.00 0.00 C ATOM 513 O GLN A 34 -1.118 -3.089 7.794 1.00 0.00 O ATOM 514 CB GLN A 34 -4.316 -2.559 7.707 1.00 0.00 C ATOM 515 CG GLN A 34 -3.798 -2.872 9.112 1.00 0.00 C ATOM 516 CD GLN A 34 -4.875 -2.607 10.166 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.786 -1.818 9.975 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.720 -3.307 11.286 1.00 0.00 N ATOM 0 H GLN A 34 -4.637 -2.824 5.262 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.764 -1.446 6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.872 -1.622 7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.011 -3.337 7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.483 -3.914 9.163 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.919 -2.262 9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.935 -3.951 11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.387 -3.200 12.051 1.00 0.00 H new ATOM 527 N GLU A 35 -2.162 -4.644 6.526 1.00 0.00 N ATOM 528 CA GLU A 35 -1.171 -5.676 6.777 1.00 0.00 C ATOM 529 C GLU A 35 -0.100 -5.660 5.684 1.00 0.00 C ATOM 530 O GLU A 35 1.018 -6.127 5.899 1.00 0.00 O ATOM 531 CB GLU A 35 -1.827 -7.054 6.882 1.00 0.00 C ATOM 532 CG GLU A 35 -1.989 -7.474 8.344 1.00 0.00 C ATOM 533 CD GLU A 35 -0.632 -7.554 9.045 1.00 0.00 C ATOM 534 OE1 GLU A 35 0.206 -8.352 8.570 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.462 -6.816 10.039 1.00 0.00 O ATOM 0 H GLU A 35 -2.930 -4.929 5.919 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.691 -5.466 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.802 -7.035 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.222 -7.790 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.629 -6.760 8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.486 -8.443 8.395 1.00 0.00 H new ATOM 542 N LEU A 36 -0.479 -5.118 4.536 1.00 0.00 N ATOM 543 CA LEU A 36 0.434 -5.036 3.409 1.00 0.00 C ATOM 544 C LEU A 36 1.104 -3.660 3.401 1.00 0.00 C ATOM 545 O LEU A 36 1.769 -3.295 2.433 1.00 0.00 O ATOM 546 CB LEU A 36 -0.291 -5.374 2.105 1.00 0.00 C ATOM 547 CG LEU A 36 -0.973 -6.743 2.053 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.839 -6.877 0.798 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.054 -7.872 2.164 1.00 0.00 C ATOM 0 H LEU A 36 -1.407 -4.731 4.362 1.00 0.00 H new ATOM 0 HA LEU A 36 1.227 -5.778 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.044 -4.608 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.428 -5.317 1.287 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.637 -6.826 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.312 -7.859 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.607 -6.104 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.215 -6.764 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.457 -8.834 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.762 -7.803 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.590 -7.785 3.109 1.00 0.00 H new ATOM 561 N ALA A 37 0.906 -2.935 4.492 1.00 0.00 N ATOM 562 CA ALA A 37 1.483 -1.608 4.623 1.00 0.00 C ATOM 563 C ALA A 37 3.000 -1.729 4.781 1.00 0.00 C ATOM 564 O ALA A 37 3.756 -1.064 4.074 1.00 0.00 O ATOM 565 CB ALA A 37 0.830 -0.881 5.800 1.00 0.00 C ATOM 0 H ALA A 37 0.354 -3.241 5.293 1.00 0.00 H new ATOM 0 HA ALA A 37 1.291 -1.016 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.263 0.114 5.898 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.242 -0.795 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.003 -1.444 6.717 1.00 0.00 H new ATOM 571 N PRO A 38 3.410 -2.605 5.737 1.00 0.00 N ATOM 572 CA PRO A 38 4.823 -2.822 5.996 1.00 0.00 C ATOM 573 C PRO A 38 5.459 -3.672 4.895 1.00 0.00 C ATOM 574 O PRO A 38 6.555 -3.369 4.426 1.00 0.00 O ATOM 575 CB PRO A 38 4.875 -3.485 7.363 1.00 0.00 C ATOM 576 CG PRO A 38 3.480 -4.035 7.612 1.00 0.00 C ATOM 577 CD PRO A 38 2.543 -3.409 6.592 1.00 0.00 C ATOM 0 HA PRO A 38 5.397 -1.896 5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.618 -4.282 7.383 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.156 -2.768 8.135 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.476 -5.121 7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.153 -3.801 8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.017 -4.171 6.017 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.784 -2.794 7.076 1.00 0.00 H new ATOM 585 N ILE A 39 4.744 -4.721 4.514 1.00 0.00 N ATOM 586 CA ILE A 39 5.224 -5.617 3.477 1.00 0.00 C ATOM 587 C ILE A 39 5.544 -4.809 2.218 1.00 0.00 C ATOM 588 O ILE A 39 6.428 -5.178 1.446 1.00 0.00 O ATOM 589 CB ILE A 39 4.223 -6.750 3.242 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.240 -7.746 4.403 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.475 -7.434 1.897 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.836 -7.942 4.978 1.00 0.00 C ATOM 0 H ILE A 39 3.836 -4.970 4.906 1.00 0.00 H new ATOM 0 HA ILE A 39 6.150 -6.100 3.790 1.00 0.00 H new ATOM 0 HB ILE A 39 3.223 -6.319 3.202 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.633 -8.703 4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.910 -7.388 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.750 -8.235 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.372 -6.705 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.483 -7.850 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.876 -8.655 5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.455 -6.988 5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.174 -8.323 4.200 1.00 0.00 H new ATOM 604 N ILE A 40 4.807 -3.721 2.049 1.00 0.00 N ATOM 605 CA ILE A 40 5.002 -2.857 0.897 1.00 0.00 C ATOM 606 C ILE A 40 6.060 -1.802 1.228 1.00 0.00 C ATOM 607 O ILE A 40 7.059 -1.677 0.521 1.00 0.00 O ATOM 608 CB ILE A 40 3.667 -2.266 0.439 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.827 -3.312 -0.297 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.884 -1.008 -0.405 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.381 -2.839 -0.461 1.00 0.00 C ATOM 0 H ILE A 40 4.074 -3.418 2.690 1.00 0.00 H new ATOM 0 HA ILE A 40 5.378 -3.431 0.050 1.00 0.00 H new ATOM 0 HB ILE A 40 3.105 -1.967 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.262 -3.509 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.845 -4.252 0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.919 -0.608 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.412 -0.260 0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.475 -1.258 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.806 -3.601 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.941 -2.666 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.364 -1.912 -1.034 1.00 0.00 H new ATOM 623 N CYS A 41 5.804 -1.071 2.303 1.00 0.00 N ATOM 624 CA CYS A 41 6.722 -0.031 2.736 1.00 0.00 C ATOM 625 C CYS A 41 8.130 -0.627 2.794 1.00 0.00 C ATOM 626 O CYS A 41 9.086 -0.017 2.317 1.00 0.00 O ATOM 627 CB CYS A 41 6.302 0.571 4.079 1.00 0.00 C ATOM 628 SG CYS A 41 5.406 2.143 3.806 1.00 0.00 S ATOM 0 H CYS A 41 4.974 -1.178 2.887 1.00 0.00 H new ATOM 0 HA CYS A 41 6.706 0.792 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.666 -0.131 4.619 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.181 0.747 4.699 1.00 0.00 H new ATOM 0 HG CYS A 41 4.247 1.895 3.272 1.00 0.00 H new ATOM 634 N SER A 42 8.213 -1.811 3.382 1.00 0.00 N ATOM 635 CA SER A 42 9.488 -2.496 3.508 1.00 0.00 C ATOM 636 C SER A 42 10.166 -2.597 2.140 1.00 0.00 C ATOM 637 O SER A 42 11.339 -2.257 1.998 1.00 0.00 O ATOM 638 CB SER A 42 9.308 -3.889 4.115 1.00 0.00 C ATOM 639 OG SER A 42 10.556 -4.538 4.342 1.00 0.00 O ATOM 0 H SER A 42 7.418 -2.314 3.777 1.00 0.00 H new ATOM 0 HA SER A 42 10.122 -1.916 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.766 -3.807 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.698 -4.499 3.448 1.00 0.00 H new ATOM 0 HG SER A 42 10.398 -5.423 4.731 1.00 0.00 H new ATOM 645 N LYS A 43 9.397 -3.066 1.168 1.00 0.00 N ATOM 646 CA LYS A 43 9.908 -3.216 -0.184 1.00 0.00 C ATOM 647 C LYS A 43 10.497 -1.883 -0.653 1.00 0.00 C ATOM 648 O LYS A 43 11.538 -1.856 -1.306 1.00 0.00 O ATOM 649 CB LYS A 43 8.823 -3.768 -1.109 1.00 0.00 C ATOM 650 CG LYS A 43 9.011 -5.269 -1.341 1.00 0.00 C ATOM 651 CD LYS A 43 8.721 -6.062 -0.066 1.00 0.00 C ATOM 652 CE LYS A 43 7.535 -7.008 -0.266 1.00 0.00 C ATOM 653 NZ LYS A 43 7.856 -8.033 -1.283 1.00 0.00 N ATOM 0 H LYS A 43 8.424 -3.347 1.290 1.00 0.00 H new ATOM 0 HA LYS A 43 10.716 -3.948 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.841 -3.584 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.852 -3.242 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.348 -5.603 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.031 -5.464 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.604 -6.635 0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.509 -5.375 0.753 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.284 -7.491 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.658 -6.441 -0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.284 -8.884 -1.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.644 -7.660 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.865 -8.276 -1.224 1.00 0.00 H new ATOM 667 N CYS A 44 9.803 -0.811 -0.301 1.00 0.00 N ATOM 668 CA CYS A 44 10.244 0.522 -0.678 1.00 0.00 C ATOM 669 C CYS A 44 11.011 1.125 0.501 1.00 0.00 C ATOM 670 O CYS A 44 11.167 2.342 0.586 1.00 0.00 O ATOM 671 CB CYS A 44 9.070 1.405 -1.107 1.00 0.00 C ATOM 672 SG CYS A 44 9.238 1.854 -2.873 1.00 0.00 S ATOM 0 H CYS A 44 8.939 -0.838 0.241 1.00 0.00 H new ATOM 0 HA CYS A 44 10.902 0.459 -1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.130 0.878 -0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.040 2.307 -0.495 1.00 0.00 H new ATOM 0 HG CYS A 44 8.742 3.040 -3.068 1.00 0.00 H new ATOM 678 N GLU A 45 11.470 0.246 1.379 1.00 0.00 N ATOM 679 CA GLU A 45 12.217 0.676 2.548 1.00 0.00 C ATOM 680 C GLU A 45 11.620 1.967 3.114 1.00 0.00 C ATOM 681 O GLU A 45 12.348 2.828 3.606 1.00 0.00 O ATOM 682 CB GLU A 45 13.699 0.858 2.216 1.00 0.00 C ATOM 683 CG GLU A 45 14.337 -0.472 1.808 1.00 0.00 C ATOM 684 CD GLU A 45 15.573 -0.243 0.935 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.518 0.396 1.447 1.00 0.00 O ATOM 686 OE2 GLU A 45 15.544 -0.711 -0.223 1.00 0.00 O ATOM 0 H GLU A 45 11.339 -0.763 1.304 1.00 0.00 H new ATOM 0 HA GLU A 45 12.142 -0.101 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.808 1.581 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.222 1.266 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.616 -1.034 2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.611 -1.076 1.265 1.00 0.00 H new ATOM 693 N PHE A 46 10.301 2.059 3.026 1.00 0.00 N ATOM 694 CA PHE A 46 9.598 3.230 3.523 1.00 0.00 C ATOM 695 C PHE A 46 9.238 3.066 5.001 1.00 0.00 C ATOM 696 O PHE A 46 9.456 2.004 5.583 1.00 0.00 O ATOM 697 CB PHE A 46 8.311 3.358 2.707 1.00 0.00 C ATOM 698 CG PHE A 46 8.395 4.374 1.566 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.605 4.711 1.044 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.261 4.940 1.074 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.684 5.654 -0.014 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.339 5.883 0.016 1.00 0.00 C ATOM 703 CZ PHE A 46 8.549 6.220 -0.506 1.00 0.00 C ATOM 0 H PHE A 46 9.701 1.342 2.618 1.00 0.00 H new ATOM 0 HA PHE A 46 10.230 4.113 3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.057 2.382 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.497 3.643 3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.506 4.261 1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.300 4.672 1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.645 5.922 -0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.438 6.333 -0.374 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.609 6.937 -1.311 1.00 0.00 H new ATOM 713 N ASP A 47 8.692 4.133 5.566 1.00 0.00 N ATOM 714 CA ASP A 47 8.299 4.121 6.964 1.00 0.00 C ATOM 715 C ASP A 47 6.773 4.059 7.060 1.00 0.00 C ATOM 716 O ASP A 47 6.085 5.010 6.693 1.00 0.00 O ATOM 717 CB ASP A 47 8.766 5.390 7.679 1.00 0.00 C ATOM 718 CG ASP A 47 10.096 5.261 8.423 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.140 5.353 7.741 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.040 5.073 9.658 1.00 0.00 O ATOM 0 H ASP A 47 8.513 5.012 5.080 1.00 0.00 H new ATOM 0 HA ASP A 47 8.758 3.252 7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.854 6.191 6.945 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.997 5.692 8.390 1.00 0.00 H new ATOM 725 N PRO A 48 6.276 2.900 7.569 1.00 0.00 N ATOM 726 CA PRO A 48 4.844 2.701 7.718 1.00 0.00 C ATOM 727 C PRO A 48 4.301 3.496 8.907 1.00 0.00 C ATOM 728 O PRO A 48 3.102 3.471 9.179 1.00 0.00 O ATOM 729 CB PRO A 48 4.670 1.199 7.878 1.00 0.00 C ATOM 730 CG PRO A 48 6.034 0.662 8.278 1.00 0.00 C ATOM 731 CD PRO A 48 7.060 1.752 8.014 1.00 0.00 C ATOM 0 HA PRO A 48 4.277 3.065 6.861 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.922 0.971 8.638 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.328 0.744 6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.039 0.380 9.331 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.274 -0.235 7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.629 1.986 8.914 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.778 1.444 7.254 1.00 0.00 H new ATOM 739 N LEU A 49 5.210 4.183 9.583 1.00 0.00 N ATOM 740 CA LEU A 49 4.837 4.984 10.736 1.00 0.00 C ATOM 741 C LEU A 49 3.946 6.142 10.282 1.00 0.00 C ATOM 742 O LEU A 49 2.883 6.374 10.854 1.00 0.00 O ATOM 743 CB LEU A 49 6.083 5.432 11.503 1.00 0.00 C ATOM 744 CG LEU A 49 6.474 4.572 12.707 1.00 0.00 C ATOM 745 CD1 LEU A 49 7.984 4.623 12.949 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.681 4.977 13.951 1.00 0.00 C ATOM 0 H LEU A 49 6.204 4.201 9.354 1.00 0.00 H new ATOM 0 HA LEU A 49 4.254 4.389 11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.924 5.455 10.810 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.926 6.454 11.847 1.00 0.00 H new ATOM 0 HG LEU A 49 6.217 3.536 12.485 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.236 4.004 13.810 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.506 4.250 12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.287 5.652 13.141 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.978 4.350 14.792 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.884 6.022 14.188 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.615 4.848 13.761 1.00 0.00 H new ATOM 758 N HIS A 50 4.413 6.838 9.256 1.00 0.00 N ATOM 759 CA HIS A 50 3.672 7.966 8.717 1.00 0.00 C ATOM 760 C HIS A 50 3.542 7.818 7.200 1.00 0.00 C ATOM 761 O HIS A 50 4.001 8.675 6.447 1.00 0.00 O ATOM 762 CB HIS A 50 4.321 9.289 9.130 1.00 0.00 C ATOM 763 CG HIS A 50 5.823 9.221 9.265 1.00 0.00 C ATOM 764 ND1 HIS A 50 6.528 9.982 10.181 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.745 8.474 8.593 1.00 0.00 C ATOM 766 CE1 HIS A 50 7.817 9.699 10.056 1.00 0.00 C ATOM 767 NE2 HIS A 50 7.949 8.764 9.071 1.00 0.00 N ATOM 0 H HIS A 50 5.296 6.643 8.783 1.00 0.00 H new ATOM 0 HA HIS A 50 2.665 7.976 9.133 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.067 10.052 8.394 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.895 9.609 10.081 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.532 7.766 7.805 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.621 10.132 10.632 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.828 8.355 8.754 1.00 0.00 H new ATOM 775 N THR A 51 2.915 6.723 6.797 1.00 0.00 N ATOM 776 CA THR A 51 2.718 6.450 5.383 1.00 0.00 C ATOM 777 C THR A 51 1.227 6.317 5.067 1.00 0.00 C ATOM 778 O THR A 51 0.485 5.683 5.816 1.00 0.00 O ATOM 779 CB THR A 51 3.530 5.204 5.024 1.00 0.00 C ATOM 780 OG1 THR A 51 4.840 5.703 4.770 1.00 0.00 O ATOM 781 CG2 THR A 51 3.099 4.589 3.691 1.00 0.00 C ATOM 0 H THR A 51 2.536 6.014 7.425 1.00 0.00 H new ATOM 0 HA THR A 51 3.075 7.276 4.768 1.00 0.00 H new ATOM 0 HB THR A 51 3.426 4.463 5.816 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.477 5.274 5.378 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.706 3.708 3.483 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.049 4.301 3.746 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.234 5.319 2.893 1.00 0.00 H new ATOM 789 N LEU A 52 0.833 6.924 3.958 1.00 0.00 N ATOM 790 CA LEU A 52 -0.556 6.880 3.534 1.00 0.00 C ATOM 791 C LEU A 52 -0.670 6.045 2.257 1.00 0.00 C ATOM 792 O LEU A 52 0.331 5.785 1.590 1.00 0.00 O ATOM 793 CB LEU A 52 -1.118 8.296 3.394 1.00 0.00 C ATOM 794 CG LEU A 52 -2.075 8.750 4.499 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.645 10.137 4.195 1.00 0.00 C ATOM 796 CD2 LEU A 52 -3.177 7.714 4.730 1.00 0.00 C ATOM 0 H LEU A 52 1.451 7.449 3.340 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.169 6.391 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.283 8.995 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.638 8.366 2.439 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.511 8.831 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.322 10.436 4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.830 10.857 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.190 10.108 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.843 8.061 5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.746 7.576 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.728 6.765 5.025 1.00 0.00 H new ATOM 808 N LEU A 53 -1.897 5.648 1.955 1.00 0.00 N ATOM 809 CA LEU A 53 -2.154 4.848 0.770 1.00 0.00 C ATOM 810 C LEU A 53 -3.183 5.561 -0.109 1.00 0.00 C ATOM 811 O LEU A 53 -4.385 5.469 0.136 1.00 0.00 O ATOM 812 CB LEU A 53 -2.560 3.426 1.161 1.00 0.00 C ATOM 813 CG LEU A 53 -1.513 2.616 1.928 1.00 0.00 C ATOM 814 CD1 LEU A 53 -2.016 1.199 2.214 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.174 2.610 1.187 1.00 0.00 C ATOM 0 H LEU A 53 -2.724 5.865 2.511 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.245 4.744 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.464 3.481 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.819 2.881 0.253 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.347 3.099 2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.252 0.645 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.925 1.250 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.229 0.692 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.553 2.028 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.306 2.165 0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.186 3.633 1.078 1.00 0.00 H new ATOM 827 N LEU A 54 -2.674 6.258 -1.115 1.00 0.00 N ATOM 828 CA LEU A 54 -3.534 6.987 -2.031 1.00 0.00 C ATOM 829 C LEU A 54 -3.772 6.141 -3.283 1.00 0.00 C ATOM 830 O LEU A 54 -3.083 5.145 -3.504 1.00 0.00 O ATOM 831 CB LEU A 54 -2.952 8.371 -2.326 1.00 0.00 C ATOM 832 CG LEU A 54 -2.683 9.258 -1.108 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.977 9.546 -0.343 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.610 8.643 -0.208 1.00 0.00 C ATOM 0 H LEU A 54 -1.677 6.333 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.508 7.166 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.017 8.242 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.637 8.898 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.298 10.215 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.758 10.178 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.681 10.058 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.415 8.608 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.438 9.293 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.943 7.665 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.683 8.532 -0.771 1.00 0.00 H new ATOM 846 N LYS A 55 -4.748 6.567 -4.071 1.00 0.00 N ATOM 847 CA LYS A 55 -5.085 5.861 -5.295 1.00 0.00 C ATOM 848 C LYS A 55 -3.851 5.797 -6.198 1.00 0.00 C ATOM 849 O LYS A 55 -3.326 4.716 -6.462 1.00 0.00 O ATOM 850 CB LYS A 55 -6.303 6.500 -5.965 1.00 0.00 C ATOM 851 CG LYS A 55 -7.506 6.510 -5.019 1.00 0.00 C ATOM 852 CD LYS A 55 -8.328 5.228 -5.164 1.00 0.00 C ATOM 853 CE LYS A 55 -9.510 5.440 -6.113 1.00 0.00 C ATOM 854 NZ LYS A 55 -9.185 4.932 -7.465 1.00 0.00 N ATOM 0 H LYS A 55 -5.317 7.393 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.374 4.833 -5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.064 7.520 -6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.554 5.950 -6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.163 6.612 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.134 7.375 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.694 4.426 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.693 4.913 -4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.391 4.927 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.756 6.500 -6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.029 4.990 -8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.423 5.507 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.874 3.942 -7.398 1.00 0.00 H new ATOM 868 N ASP A 56 -3.423 6.968 -6.646 1.00 0.00 N ATOM 869 CA ASP A 56 -2.261 7.058 -7.513 1.00 0.00 C ATOM 870 C ASP A 56 -1.607 8.431 -7.342 1.00 0.00 C ATOM 871 O ASP A 56 -2.057 9.240 -6.531 1.00 0.00 O ATOM 872 CB ASP A 56 -2.656 6.903 -8.983 1.00 0.00 C ATOM 873 CG ASP A 56 -2.147 5.629 -9.658 1.00 0.00 C ATOM 874 OD1 ASP A 56 -0.931 5.586 -9.946 1.00 0.00 O ATOM 875 OD2 ASP A 56 -2.984 4.725 -9.872 1.00 0.00 O ATOM 0 H ASP A 56 -3.860 7.863 -6.425 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.573 6.258 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.743 6.925 -9.056 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.282 7.764 -9.537 1.00 0.00 H new ATOM 880 N TYR A 57 -0.557 8.652 -8.118 1.00 0.00 N ATOM 881 CA TYR A 57 0.163 9.913 -8.062 1.00 0.00 C ATOM 882 C TYR A 57 -0.763 11.088 -8.384 1.00 0.00 C ATOM 883 O TYR A 57 -0.441 12.237 -8.086 1.00 0.00 O ATOM 884 CB TYR A 57 1.249 9.827 -9.137 1.00 0.00 C ATOM 885 CG TYR A 57 1.705 11.186 -9.671 1.00 0.00 C ATOM 886 CD1 TYR A 57 2.665 11.908 -8.992 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.156 11.690 -10.833 1.00 0.00 C ATOM 888 CE1 TYR A 57 3.094 13.187 -9.495 1.00 0.00 C ATOM 889 CE2 TYR A 57 1.586 12.969 -11.336 1.00 0.00 C ATOM 890 CZ TYR A 57 2.533 13.654 -10.642 1.00 0.00 C ATOM 891 OH TYR A 57 2.939 14.862 -11.117 1.00 0.00 O ATOM 0 H TYR A 57 -0.187 7.979 -8.789 1.00 0.00 H new ATOM 0 HA TYR A 57 0.573 10.077 -7.065 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.111 9.302 -8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.877 9.228 -9.968 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.095 11.514 -8.083 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.404 11.125 -11.365 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.844 13.762 -8.973 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.166 13.375 -12.244 1.00 0.00 H new ATOM 0 HH TYR A 57 2.454 15.068 -11.943 1.00 0.00 H new ATOM 901 N GLN A 58 -1.896 10.759 -8.987 1.00 0.00 N ATOM 902 CA GLN A 58 -2.871 11.772 -9.352 1.00 0.00 C ATOM 903 C GLN A 58 -4.270 11.352 -8.895 1.00 0.00 C ATOM 904 O GLN A 58 -5.023 10.753 -9.661 1.00 0.00 O ATOM 905 CB GLN A 58 -2.845 12.041 -10.858 1.00 0.00 C ATOM 906 CG GLN A 58 -2.730 10.735 -11.647 1.00 0.00 C ATOM 907 CD GLN A 58 -3.303 10.894 -13.057 1.00 0.00 C ATOM 908 OE1 GLN A 58 -4.477 10.672 -13.306 1.00 0.00 O ATOM 909 NE2 GLN A 58 -2.413 11.290 -13.961 1.00 0.00 N ATOM 0 H GLN A 58 -2.160 9.805 -9.232 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.608 12.700 -8.845 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.752 12.569 -11.152 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.005 12.692 -11.100 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.684 10.433 -11.707 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.261 9.941 -11.122 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.446 11.458 -13.685 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.697 11.426 -14.931 1.00 0.00 H new ATOM 918 N SER A 59 -4.574 11.683 -7.649 1.00 0.00 N ATOM 919 CA SER A 59 -5.869 11.348 -7.080 1.00 0.00 C ATOM 920 C SER A 59 -6.061 12.078 -5.750 1.00 0.00 C ATOM 921 O SER A 59 -7.102 12.691 -5.519 1.00 0.00 O ATOM 922 CB SER A 59 -6.009 9.837 -6.882 1.00 0.00 C ATOM 923 OG SER A 59 -6.319 9.165 -8.100 1.00 0.00 O ATOM 0 H SER A 59 -3.946 12.180 -7.017 1.00 0.00 H new ATOM 0 HA SER A 59 -6.643 11.669 -7.778 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.081 9.437 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.791 9.638 -6.149 1.00 0.00 H new ATOM 0 HG SER A 59 -6.188 9.777 -8.854 1.00 0.00 H new ATOM 929 N GLN A 60 -5.041 11.987 -4.909 1.00 0.00 N ATOM 930 CA GLN A 60 -5.084 12.631 -3.607 1.00 0.00 C ATOM 931 C GLN A 60 -6.180 12.005 -2.742 1.00 0.00 C ATOM 932 O GLN A 60 -6.583 12.581 -1.732 1.00 0.00 O ATOM 933 CB GLN A 60 -5.293 14.140 -3.749 1.00 0.00 C ATOM 934 CG GLN A 60 -4.081 14.802 -4.408 1.00 0.00 C ATOM 935 CD GLN A 60 -4.162 16.326 -4.299 1.00 0.00 C ATOM 936 OE1 GLN A 60 -4.582 16.881 -3.297 1.00 0.00 O ATOM 937 NE2 GLN A 60 -3.738 16.969 -5.384 1.00 0.00 N ATOM 0 H GLN A 60 -4.180 11.477 -5.104 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.125 12.475 -3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.186 14.333 -4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.464 14.581 -2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.166 14.448 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.029 14.511 -5.457 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.399 16.442 -6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.752 17.989 -5.411 1.00 0.00 H new ATOM 946 N GLU A 61 -6.630 10.834 -3.168 1.00 0.00 N ATOM 947 CA GLU A 61 -7.670 10.123 -2.444 1.00 0.00 C ATOM 948 C GLU A 61 -7.077 8.922 -1.705 1.00 0.00 C ATOM 949 O GLU A 61 -6.520 8.019 -2.327 1.00 0.00 O ATOM 950 CB GLU A 61 -8.793 9.687 -3.387 1.00 0.00 C ATOM 951 CG GLU A 61 -10.133 9.624 -2.652 1.00 0.00 C ATOM 952 CD GLU A 61 -11.298 9.882 -3.610 1.00 0.00 C ATOM 953 OE1 GLU A 61 -11.533 11.073 -3.910 1.00 0.00 O ATOM 954 OE2 GLU A 61 -11.926 8.883 -4.022 1.00 0.00 O ATOM 0 H GLU A 61 -6.293 10.360 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.101 10.801 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.864 10.385 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.559 8.710 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.251 8.645 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.147 10.362 -1.850 1.00 0.00 H new ATOM 961 N PRO A 62 -7.221 8.952 -0.353 1.00 0.00 N ATOM 962 CA PRO A 62 -6.706 7.877 0.478 1.00 0.00 C ATOM 963 C PRO A 62 -7.591 6.633 0.377 1.00 0.00 C ATOM 964 O PRO A 62 -8.804 6.743 0.205 1.00 0.00 O ATOM 965 CB PRO A 62 -6.653 8.456 1.882 1.00 0.00 C ATOM 966 CG PRO A 62 -7.571 9.667 1.868 1.00 0.00 C ATOM 967 CD PRO A 62 -7.874 10.005 0.418 1.00 0.00 C ATOM 0 HA PRO A 62 -5.719 7.539 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.983 7.724 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.635 8.740 2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.492 9.454 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.096 10.512 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -8.948 10.024 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.487 10.989 0.152 1.00 0.00 H new ATOM 975 N LEU A 63 -6.950 5.479 0.486 1.00 0.00 N ATOM 976 CA LEU A 63 -7.664 4.216 0.409 1.00 0.00 C ATOM 977 C LEU A 63 -8.055 3.769 1.819 1.00 0.00 C ATOM 978 O LEU A 63 -7.681 4.407 2.802 1.00 0.00 O ATOM 979 CB LEU A 63 -6.840 3.180 -0.358 1.00 0.00 C ATOM 980 CG LEU A 63 -6.119 3.689 -1.608 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.910 2.812 -1.939 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.085 3.803 -2.789 1.00 0.00 C ATOM 0 H LEU A 63 -5.944 5.392 0.627 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.589 4.335 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.097 2.761 0.321 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.501 2.364 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.743 4.691 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.416 3.196 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.211 2.825 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.241 1.789 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.548 4.167 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.512 2.824 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.885 4.500 -2.539 1.00 0.00 H new ATOM 994 N ASP A 64 -8.803 2.676 1.873 1.00 0.00 N ATOM 995 CA ASP A 64 -9.248 2.137 3.147 1.00 0.00 C ATOM 996 C ASP A 64 -8.427 0.890 3.483 1.00 0.00 C ATOM 997 O ASP A 64 -8.695 -0.193 2.964 1.00 0.00 O ATOM 998 CB ASP A 64 -10.722 1.730 3.087 1.00 0.00 C ATOM 999 CG ASP A 64 -11.673 2.631 3.877 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.157 3.547 4.553 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.895 2.383 3.788 1.00 0.00 O ATOM 0 H ASP A 64 -9.112 2.150 1.056 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.117 2.909 3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.038 1.719 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.818 0.710 3.460 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.443 1.084 4.349 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.582 -0.011 4.760 1.00 0.00 C ATOM 1008 C LEU A 65 -7.443 -1.220 5.133 1.00 0.00 C ATOM 1009 O LEU A 65 -7.185 -2.334 4.680 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.638 0.440 5.877 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.749 1.643 5.558 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.129 2.220 6.833 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.687 1.281 4.518 1.00 0.00 C ATOM 0 H LEU A 65 -7.223 1.983 4.777 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.939 -0.320 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.236 0.678 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.997 -0.400 6.145 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.374 2.422 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.502 3.074 6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.921 2.541 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.522 1.457 7.320 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.069 2.154 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.060 0.476 4.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.174 0.954 3.599 1.00 0.00 H new ATOM 1025 N THR A 66 -8.448 -0.958 5.956 1.00 0.00 N ATOM 1026 CA THR A 66 -9.349 -2.011 6.395 1.00 0.00 C ATOM 1027 C THR A 66 -9.783 -2.871 5.207 1.00 0.00 C ATOM 1028 O THR A 66 -9.994 -4.074 5.352 1.00 0.00 O ATOM 1029 CB THR A 66 -10.519 -1.355 7.130 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.154 -0.560 6.133 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.058 -0.340 8.178 1.00 0.00 C ATOM 0 H THR A 66 -8.658 -0.033 6.330 1.00 0.00 H new ATOM 0 HA THR A 66 -8.854 -2.693 7.086 1.00 0.00 H new ATOM 0 HB THR A 66 -11.122 -2.125 7.611 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.926 -0.100 6.524 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.928 0.096 8.670 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.435 -0.840 8.919 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.483 0.448 7.693 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.903 -2.221 4.059 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.309 -2.912 2.847 1.00 0.00 C ATOM 1041 C LYS A 67 -9.103 -3.646 2.256 1.00 0.00 C ATOM 1042 O LYS A 67 -7.981 -3.487 2.732 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.973 -1.938 1.872 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.183 -1.258 2.515 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.490 -1.887 2.028 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.284 -2.475 3.196 1.00 0.00 C ATOM 1047 NZ LYS A 67 -14.796 -3.820 2.850 1.00 0.00 N ATOM 0 H LYS A 67 -9.726 -1.223 3.942 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.063 -3.666 3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.252 -1.184 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.286 -2.472 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.117 -1.342 3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.176 -0.195 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.091 -1.135 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.272 -2.669 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.649 -2.537 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.116 -1.816 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.332 -4.205 3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.418 -3.752 2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.998 -4.450 2.633 1.00 0.00 H new ATOM 1061 N SER A 68 -9.377 -4.435 1.227 1.00 0.00 N ATOM 1062 CA SER A 68 -8.329 -5.194 0.567 1.00 0.00 C ATOM 1063 C SER A 68 -8.324 -4.885 -0.932 1.00 0.00 C ATOM 1064 O SER A 68 -9.280 -4.314 -1.455 1.00 0.00 O ATOM 1065 CB SER A 68 -8.508 -6.696 0.798 1.00 0.00 C ATOM 1066 OG SER A 68 -9.882 -7.072 0.823 1.00 0.00 O ATOM 0 H SER A 68 -10.310 -4.565 0.835 1.00 0.00 H new ATOM 0 HA SER A 68 -7.371 -4.899 0.996 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.995 -7.248 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.038 -6.976 1.741 1.00 0.00 H new ATOM 0 HG SER A 68 -9.954 -8.038 0.971 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.237 -5.276 -1.580 1.00 0.00 N ATOM 1073 CA LEU A 69 -7.095 -5.048 -3.008 1.00 0.00 C ATOM 1074 C LEU A 69 -8.327 -5.592 -3.733 1.00 0.00 C ATOM 1075 O LEU A 69 -8.720 -5.069 -4.775 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.775 -5.633 -3.516 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.509 -4.865 -3.131 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.437 -3.524 -3.865 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.411 -4.694 -1.614 1.00 0.00 C ATOM 0 H LEU A 69 -6.446 -5.749 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.046 -3.980 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.685 -6.653 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.822 -5.695 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.645 -5.451 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.528 -2.998 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.426 -3.698 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.305 -2.919 -3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.502 -4.145 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.278 -4.141 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.383 -5.674 -1.138 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.903 -6.634 -3.152 1.00 0.00 N ATOM 1092 CA ASN A 70 -10.083 -7.255 -3.729 1.00 0.00 C ATOM 1093 C ASN A 70 -11.287 -6.329 -3.537 1.00 0.00 C ATOM 1094 O ASN A 70 -11.989 -6.012 -4.496 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.397 -8.586 -3.044 1.00 0.00 C ATOM 1096 CG ASN A 70 -10.058 -9.766 -3.957 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.354 -9.773 -5.141 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.424 -10.761 -3.343 1.00 0.00 N ATOM 0 H ASN A 70 -8.574 -7.064 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.887 -7.432 -4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.830 -8.664 -2.117 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.453 -8.621 -2.776 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.155 -11.594 -3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.206 -10.691 -2.349 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.487 -5.923 -2.292 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.593 -5.041 -1.962 1.00 0.00 C ATOM 1107 C ASP A 71 -12.477 -3.755 -2.783 1.00 0.00 C ATOM 1108 O ASP A 71 -13.430 -3.348 -3.444 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.571 -4.660 -0.481 1.00 0.00 C ATOM 1110 CG ASP A 71 -12.342 -5.825 0.484 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -12.458 -6.979 0.017 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -12.056 -5.536 1.666 1.00 0.00 O ATOM 0 H ASP A 71 -10.902 -6.189 -1.500 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.521 -5.567 -2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.788 -3.919 -0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.518 -4.181 -0.231 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.299 -3.151 -2.713 1.00 0.00 N ATOM 1118 CA LEU A 72 -11.046 -1.920 -3.442 1.00 0.00 C ATOM 1119 C LEU A 72 -11.088 -2.203 -4.945 1.00 0.00 C ATOM 1120 O LEU A 72 -11.733 -1.477 -5.699 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.738 -1.280 -2.973 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.774 -0.607 -1.599 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.362 -0.419 -1.043 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.549 0.711 -1.655 1.00 0.00 C ATOM 0 H LEU A 72 -10.510 -3.491 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.826 -1.187 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.965 -2.049 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.435 -0.537 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.305 -1.264 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.417 0.061 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.878 -1.390 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.784 0.206 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.560 1.169 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.068 1.386 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.572 0.518 -1.977 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.391 -3.261 -5.334 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.341 -3.650 -6.734 1.00 0.00 C ATOM 1138 C GLY A 73 -9.274 -2.852 -7.486 1.00 0.00 C ATOM 1139 O GLY A 73 -9.471 -2.481 -8.642 1.00 0.00 O ATOM 0 H GLY A 73 -9.857 -3.860 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.126 -4.716 -6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.315 -3.487 -7.196 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.166 -2.613 -6.800 1.00 0.00 N ATOM 1144 CA LEU A 74 -7.068 -1.866 -7.389 1.00 0.00 C ATOM 1145 C LEU A 74 -5.856 -2.788 -7.544 1.00 0.00 C ATOM 1146 O LEU A 74 -5.687 -3.732 -6.774 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.780 -0.604 -6.574 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.973 0.322 -6.327 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.610 1.434 -5.342 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.517 0.878 -7.645 1.00 0.00 C ATOM 0 H LEU A 74 -8.005 -2.924 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.335 -1.518 -8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.372 -0.904 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.003 -0.035 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.771 -0.263 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.476 2.077 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.307 0.994 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.788 2.024 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.364 1.533 -7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.735 1.443 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.840 0.054 -8.282 1.00 0.00 H new ATOM 1162 N ARG A 75 -5.043 -2.480 -8.544 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.852 -3.269 -8.810 1.00 0.00 C ATOM 1164 C ARG A 75 -2.597 -2.478 -8.434 1.00 0.00 C ATOM 1165 O ARG A 75 -1.522 -3.053 -8.272 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.773 -3.668 -10.284 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.591 -4.932 -10.555 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.863 -6.177 -10.043 1.00 0.00 C ATOM 1169 NE ARG A 75 -3.658 -7.136 -11.151 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.478 -8.453 -10.981 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -3.475 -8.975 -9.747 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -3.300 -9.247 -12.045 1.00 0.00 N ATOM 0 H ARG A 75 -5.186 -1.695 -9.180 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.911 -4.173 -8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.142 -2.852 -10.905 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.733 -3.837 -10.563 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.564 -4.850 -10.071 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.775 -5.028 -11.625 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.902 -5.895 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.443 -6.646 -9.248 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.653 -6.772 -12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.610 -8.370 -8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.338 -9.977 -9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.301 -8.849 -12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.163 -10.249 -11.916 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.776 -1.171 -8.308 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.672 -0.296 -7.955 1.00 0.00 C ATOM 1188 C GLU A 76 -2.119 0.727 -6.908 1.00 0.00 C ATOM 1189 O GLU A 76 -3.310 1.001 -6.772 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.106 0.400 -9.194 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.114 1.395 -9.773 1.00 0.00 C ATOM 1192 CD GLU A 76 -3.026 0.717 -10.797 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -3.188 -0.518 -10.684 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -3.542 1.448 -11.670 1.00 0.00 O ATOM 0 H GLU A 76 -3.669 -0.697 -8.444 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.876 -0.904 -7.525 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.184 0.921 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.850 -0.344 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.716 1.818 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.584 2.223 -10.244 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.139 1.264 -6.196 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.417 2.250 -5.165 1.00 0.00 C ATOM 1203 C LEU A 77 -0.188 3.142 -4.975 1.00 0.00 C ATOM 1204 O LEU A 77 0.884 2.848 -5.501 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.885 1.565 -3.880 1.00 0.00 C ATOM 1206 CG LEU A 77 -1.060 0.360 -3.424 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.305 0.671 -2.130 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.938 -0.886 -3.289 1.00 0.00 C ATOM 0 H LEU A 77 -0.152 1.035 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.239 2.899 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.887 2.303 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.917 1.242 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.314 0.147 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.274 -0.202 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.368 1.513 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.018 0.924 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.327 -1.728 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.722 -0.701 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.391 -1.118 -4.253 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.385 4.213 -4.221 1.00 0.00 N ATOM 1221 CA TYR A 78 0.693 5.150 -3.954 1.00 0.00 C ATOM 1222 C TYR A 78 0.945 5.283 -2.451 1.00 0.00 C ATOM 1223 O TYR A 78 0.007 5.254 -1.656 1.00 0.00 O ATOM 1224 CB TYR A 78 0.225 6.499 -4.502 1.00 0.00 C ATOM 1225 CG TYR A 78 1.185 7.655 -4.214 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.348 7.784 -4.946 1.00 0.00 C ATOM 1227 CD2 TYR A 78 0.889 8.568 -3.223 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.252 8.872 -4.675 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.792 9.656 -2.952 1.00 0.00 C ATOM 1230 CZ TYR A 78 2.930 9.754 -3.691 1.00 0.00 C ATOM 1231 OH TYR A 78 3.784 10.781 -3.435 1.00 0.00 O ATOM 0 H TYR A 78 -1.276 4.453 -3.786 1.00 0.00 H new ATOM 0 HA TYR A 78 1.620 4.810 -4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.088 6.414 -5.580 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.750 6.735 -4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.580 7.069 -5.722 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.021 8.466 -2.650 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.165 8.985 -5.241 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.571 10.378 -2.180 1.00 0.00 H new ATOM 0 HH TYR A 78 3.425 11.332 -2.708 1.00 0.00 H new ATOM 1241 N ALA A 79 2.216 5.425 -2.107 1.00 0.00 N ATOM 1242 CA ALA A 79 2.603 5.563 -0.713 1.00 0.00 C ATOM 1243 C ALA A 79 3.022 7.010 -0.445 1.00 0.00 C ATOM 1244 O ALA A 79 4.055 7.462 -0.937 1.00 0.00 O ATOM 1245 CB ALA A 79 3.717 4.564 -0.391 1.00 0.00 C ATOM 0 H ALA A 79 2.991 5.448 -2.769 1.00 0.00 H new ATOM 0 HA ALA A 79 1.762 5.337 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.007 4.667 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.359 3.550 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.579 4.762 -1.028 1.00 0.00 H new ATOM 1251 N MET A 80 2.199 7.696 0.335 1.00 0.00 N ATOM 1252 CA MET A 80 2.472 9.082 0.674 1.00 0.00 C ATOM 1253 C MET A 80 3.208 9.185 2.012 1.00 0.00 C ATOM 1254 O MET A 80 2.912 8.441 2.946 1.00 0.00 O ATOM 1255 CB MET A 80 1.155 9.856 0.755 1.00 0.00 C ATOM 1256 CG MET A 80 1.399 11.313 1.154 1.00 0.00 C ATOM 1257 SD MET A 80 0.756 12.406 -0.102 1.00 0.00 S ATOM 1258 CE MET A 80 -0.990 12.292 0.252 1.00 0.00 C ATOM 0 H MET A 80 1.343 7.318 0.742 1.00 0.00 H new ATOM 0 HA MET A 80 3.108 9.508 -0.102 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.648 9.819 -0.209 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.495 9.382 1.481 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.919 11.522 2.110 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.466 11.488 1.288 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.538 12.115 -0.673 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.168 11.468 0.943 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.331 13.224 0.703 1.00 0.00 H new ATOM 1268 N ASP A 81 4.152 10.112 2.061 1.00 0.00 N ATOM 1269 CA ASP A 81 4.933 10.322 3.269 1.00 0.00 C ATOM 1270 C ASP A 81 4.349 11.500 4.050 1.00 0.00 C ATOM 1271 O ASP A 81 4.486 12.652 3.640 1.00 0.00 O ATOM 1272 CB ASP A 81 6.389 10.652 2.933 1.00 0.00 C ATOM 1273 CG ASP A 81 7.424 9.709 3.548 1.00 0.00 C ATOM 1274 OD1 ASP A 81 7.685 9.866 4.761 1.00 0.00 O ATOM 1275 OD2 ASP A 81 7.931 8.852 2.793 1.00 0.00 O ATOM 0 H ASP A 81 4.394 10.727 1.284 1.00 0.00 H new ATOM 0 HA ASP A 81 4.898 9.405 3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.508 10.641 1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.602 11.668 3.266 1.00 0.00 H new