USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 396 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 14 ASN : amide:sc= -1.41 K(o=-1.4,f=-3.8!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0495 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= -0.0499 (180deg=-0.651) USER MOD Single : A 25 MET CE :methyl -119:sc= -0.301 (180deg=-2.58!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.9!) USER MOD Single : A 31 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.7!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0673 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-3.3!) USER MOD Single : A 42 LYS NZ :NH3+ -117:sc= 0.666 (180deg=-0.0402) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.66) USER MOD Single : A 47 CYS SG : rot -160:sc= -0.79 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 118 N TRP A 12 -7.646 -0.722 -8.462 1.00 0.00 N ATOM 119 CA TRP A 12 -6.406 -0.040 -8.112 1.00 0.00 C ATOM 120 C TRP A 12 -5.641 0.376 -9.364 1.00 0.00 C ATOM 121 O TRP A 12 -5.547 -0.386 -10.326 1.00 0.00 O ATOM 122 CB TRP A 12 -5.531 -0.944 -7.241 1.00 0.00 C ATOM 123 CG TRP A 12 -5.845 -0.844 -5.779 1.00 0.00 C ATOM 124 CD1 TRP A 12 -6.857 -1.475 -5.114 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.143 -0.067 -4.803 1.00 0.00 C ATOM 126 NE1 TRP A 12 -6.826 -1.136 -3.782 1.00 0.00 N ATOM 127 CE2 TRP A 12 -5.784 -0.275 -3.566 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.034 0.782 -4.853 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.352 0.337 -2.392 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.607 1.389 -3.687 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.264 1.164 -2.470 1.00 0.00 C ATOM 0 HA TRP A 12 -6.661 0.858 -7.550 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.656 -1.978 -7.562 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.484 -0.686 -7.399 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -7.576 -2.142 -5.567 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.475 -1.472 -3.070 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.520 0.961 -5.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.858 0.165 -1.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.752 2.048 -3.714 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.905 1.653 -1.576 1.00 0.00 H new ATOM 142 N ARG A 13 -5.096 1.588 -9.344 1.00 0.00 N ATOM 143 CA ARG A 13 -4.340 2.104 -10.479 1.00 0.00 C ATOM 144 C ARG A 13 -2.852 2.183 -10.150 1.00 0.00 C ATOM 145 O ARG A 13 -2.471 2.420 -9.005 1.00 0.00 O ATOM 146 CB ARG A 13 -4.859 3.487 -10.877 1.00 0.00 C ATOM 147 CG ARG A 13 -6.303 3.482 -11.353 1.00 0.00 C ATOM 148 CD ARG A 13 -6.434 2.840 -12.726 1.00 0.00 C ATOM 149 NE ARG A 13 -6.085 3.767 -13.799 1.00 0.00 N ATOM 150 CZ ARG A 13 -6.914 4.691 -14.271 1.00 0.00 C ATOM 151 NH1 ARG A 13 -8.134 4.813 -13.765 1.00 0.00 N ATOM 152 NH2 ARG A 13 -6.523 5.498 -15.249 1.00 0.00 N ATOM 0 H ARG A 13 -5.164 2.231 -8.555 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.474 1.418 -11.315 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.769 4.159 -10.024 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.226 3.890 -11.668 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.922 2.941 -10.637 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.679 4.505 -11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.788 1.964 -12.780 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.457 2.491 -12.867 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.153 3.701 -14.209 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.438 4.196 -13.011 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.769 5.524 -14.129 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.585 5.409 -15.639 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.161 6.207 -15.611 1.00 0.00 H new ATOM 166 N ASN A 14 -2.017 1.980 -11.164 1.00 0.00 N ATOM 167 CA ASN A 14 -0.570 2.027 -10.983 1.00 0.00 C ATOM 168 C ASN A 14 -0.186 3.073 -9.941 1.00 0.00 C ATOM 169 O ASN A 14 0.524 2.777 -8.979 1.00 0.00 O ATOM 170 CB ASN A 14 0.121 2.337 -12.312 1.00 0.00 C ATOM 171 CG ASN A 14 -0.366 3.634 -12.929 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.563 3.818 -13.149 1.00 0.00 O ATOM 173 ND2 ASN A 14 0.563 4.540 -13.210 1.00 0.00 N ATOM 0 H ASN A 14 -2.317 1.782 -12.119 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.241 1.050 -10.629 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.198 2.395 -12.153 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.055 1.518 -13.009 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.296 5.432 -13.626 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.544 4.344 -13.010 1.00 0.00 H new ATOM 180 N THR A 15 -0.660 4.299 -10.138 1.00 0.00 N ATOM 181 CA THR A 15 -0.367 5.390 -9.217 1.00 0.00 C ATOM 182 C THR A 15 -0.664 4.988 -7.777 1.00 0.00 C ATOM 183 O THR A 15 0.229 4.972 -6.931 1.00 0.00 O ATOM 184 CB THR A 15 -1.178 6.652 -9.564 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.562 6.318 -9.720 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.659 7.295 -10.841 1.00 0.00 C ATOM 0 H THR A 15 -1.249 4.561 -10.928 1.00 0.00 H new ATOM 0 HA THR A 15 0.695 5.612 -9.318 1.00 0.00 H new ATOM 0 HB THR A 15 -1.067 7.364 -8.746 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.071 7.126 -9.939 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.248 8.185 -11.066 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.386 7.575 -10.709 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.743 6.587 -11.665 1.00 0.00 H new ATOM 194 N GLU A 16 -1.925 4.664 -7.506 1.00 0.00 N ATOM 195 CA GLU A 16 -2.338 4.262 -6.167 1.00 0.00 C ATOM 196 C GLU A 16 -1.381 3.223 -5.590 1.00 0.00 C ATOM 197 O GLU A 16 -0.969 3.317 -4.434 1.00 0.00 O ATOM 198 CB GLU A 16 -3.761 3.700 -6.195 1.00 0.00 C ATOM 199 CG GLU A 16 -4.793 4.681 -6.727 1.00 0.00 C ATOM 200 CD GLU A 16 -6.214 4.266 -6.401 1.00 0.00 C ATOM 201 OE1 GLU A 16 -6.470 3.047 -6.306 1.00 0.00 O ATOM 202 OE2 GLU A 16 -7.071 5.161 -6.241 1.00 0.00 O ATOM 0 H GLU A 16 -2.677 4.672 -8.195 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.316 5.145 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.775 2.801 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.044 3.400 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.601 5.668 -6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.683 4.768 -7.808 1.00 0.00 H new ATOM 209 N ASP A 17 -1.031 2.233 -6.404 1.00 0.00 N ATOM 210 CA ASP A 17 -0.122 1.176 -5.976 1.00 0.00 C ATOM 211 C ASP A 17 1.255 1.744 -5.647 1.00 0.00 C ATOM 212 O ASP A 17 1.846 1.407 -4.622 1.00 0.00 O ATOM 213 CB ASP A 17 0.000 0.108 -7.064 1.00 0.00 C ATOM 214 CG ASP A 17 -1.133 -0.898 -7.018 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.302 -0.470 -6.922 1.00 0.00 O ATOM 216 OD2 ASP A 17 -0.851 -2.113 -7.076 1.00 0.00 O ATOM 0 H ASP A 17 -1.363 2.140 -7.364 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.532 0.720 -5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.015 0.590 -8.042 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.950 -0.414 -6.952 1.00 0.00 H new ATOM 221 N GLU A 18 1.759 2.607 -6.524 1.00 0.00 N ATOM 222 CA GLU A 18 3.067 3.220 -6.326 1.00 0.00 C ATOM 223 C GLU A 18 3.135 3.936 -4.980 1.00 0.00 C ATOM 224 O GLU A 18 4.075 3.742 -4.209 1.00 0.00 O ATOM 225 CB GLU A 18 3.369 4.206 -7.456 1.00 0.00 C ATOM 226 CG GLU A 18 3.426 3.559 -8.829 1.00 0.00 C ATOM 227 CD GLU A 18 3.007 4.505 -9.938 1.00 0.00 C ATOM 228 OE1 GLU A 18 3.198 5.729 -9.776 1.00 0.00 O ATOM 229 OE2 GLU A 18 2.489 4.023 -10.966 1.00 0.00 O ATOM 0 H GLU A 18 1.282 2.897 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 18 3.816 2.428 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.606 4.984 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.322 4.696 -7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.440 3.209 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.778 2.682 -8.840 1.00 0.00 H new ATOM 236 N ILE A 19 2.132 4.762 -4.705 1.00 0.00 N ATOM 237 CA ILE A 19 2.077 5.506 -3.453 1.00 0.00 C ATOM 238 C ILE A 19 1.938 4.566 -2.260 1.00 0.00 C ATOM 239 O ILE A 19 2.643 4.706 -1.260 1.00 0.00 O ATOM 240 CB ILE A 19 0.905 6.506 -3.443 1.00 0.00 C ATOM 241 CG1 ILE A 19 1.045 7.501 -4.597 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.845 7.238 -2.110 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.277 8.049 -5.086 1.00 0.00 C ATOM 0 H ILE A 19 1.346 4.933 -5.332 1.00 0.00 H new ATOM 0 HA ILE A 19 3.014 6.056 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.026 5.954 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.676 8.330 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.556 7.013 -5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.012 7.941 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.703 6.517 -1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.777 7.781 -1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.101 8.747 -5.904 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.903 7.229 -5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.781 8.566 -4.269 1.00 0.00 H new ATOM 255 N LEU A 20 1.026 3.607 -2.373 1.00 0.00 N ATOM 256 CA LEU A 20 0.795 2.641 -1.305 1.00 0.00 C ATOM 257 C LEU A 20 2.064 1.851 -1.002 1.00 0.00 C ATOM 258 O LEU A 20 2.591 1.903 0.109 1.00 0.00 O ATOM 259 CB LEU A 20 -0.335 1.684 -1.691 1.00 0.00 C ATOM 260 CG LEU A 20 -0.592 0.526 -0.727 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.198 1.035 0.571 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.501 -0.512 -1.370 1.00 0.00 C ATOM 0 H LEU A 20 0.434 3.478 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 20 0.507 3.190 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.255 2.260 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.113 1.269 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 20 0.363 0.053 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.374 0.196 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.512 1.740 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.143 1.535 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.673 -1.329 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.454 -0.050 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.028 -0.901 -2.272 1.00 0.00 H new ATOM 274 N LYS A 21 2.552 1.119 -1.999 1.00 0.00 N ATOM 275 CA LYS A 21 3.761 0.321 -1.841 1.00 0.00 C ATOM 276 C LYS A 21 4.838 1.105 -1.098 1.00 0.00 C ATOM 277 O LYS A 21 5.455 0.596 -0.163 1.00 0.00 O ATOM 278 CB LYS A 21 4.288 -0.120 -3.209 1.00 0.00 C ATOM 279 CG LYS A 21 3.406 -1.146 -3.899 1.00 0.00 C ATOM 280 CD LYS A 21 3.505 -1.039 -5.411 1.00 0.00 C ATOM 281 CE LYS A 21 4.790 -1.665 -5.931 1.00 0.00 C ATOM 282 NZ LYS A 21 5.935 -0.715 -5.865 1.00 0.00 N ATOM 0 H LYS A 21 2.128 1.063 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 21 3.509 -0.562 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.384 0.755 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.288 -0.536 -3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.697 -2.148 -3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.370 -1.003 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.648 -1.532 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.464 0.010 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.023 -2.555 -5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.645 -1.989 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.624 -0.950 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.589 0.256 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.392 -0.787 -4.934 1.00 0.00 H new ATOM 296 N ALA A 22 5.058 2.345 -1.521 1.00 0.00 N ATOM 297 CA ALA A 22 6.058 3.200 -0.893 1.00 0.00 C ATOM 298 C ALA A 22 5.688 3.506 0.555 1.00 0.00 C ATOM 299 O ALA A 22 6.375 3.082 1.483 1.00 0.00 O ATOM 300 CB ALA A 22 6.220 4.491 -1.682 1.00 0.00 C ATOM 0 H ALA A 22 4.557 2.780 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 22 7.008 2.665 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.970 5.119 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.538 4.259 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.268 5.021 -1.712 1.00 0.00 H new ATOM 306 N ALA A 23 4.599 4.245 0.739 1.00 0.00 N ATOM 307 CA ALA A 23 4.137 4.606 2.073 1.00 0.00 C ATOM 308 C ALA A 23 4.311 3.445 3.047 1.00 0.00 C ATOM 309 O ALA A 23 4.954 3.586 4.088 1.00 0.00 O ATOM 310 CB ALA A 23 2.681 5.045 2.027 1.00 0.00 C ATOM 0 H ALA A 23 4.020 4.605 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 23 4.745 5.438 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.349 5.312 3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.582 5.910 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.067 4.229 1.647 1.00 0.00 H new ATOM 316 N VAL A 24 3.734 2.299 2.703 1.00 0.00 N ATOM 317 CA VAL A 24 3.826 1.113 3.547 1.00 0.00 C ATOM 318 C VAL A 24 5.276 0.798 3.897 1.00 0.00 C ATOM 319 O VAL A 24 5.570 0.314 4.989 1.00 0.00 O ATOM 320 CB VAL A 24 3.197 -0.114 2.861 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.322 -1.344 3.747 1.00 0.00 C ATOM 322 CG2 VAL A 24 1.740 0.158 2.515 1.00 0.00 C ATOM 0 H VAL A 24 3.198 2.166 1.846 1.00 0.00 H new ATOM 0 HA VAL A 24 3.274 1.332 4.461 1.00 0.00 H new ATOM 0 HB VAL A 24 3.737 -0.307 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.872 -2.201 3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.375 -1.548 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.808 -1.166 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.311 -0.719 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.184 0.377 3.427 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.680 1.011 1.839 1.00 0.00 H new ATOM 332 N MET A 25 6.178 1.078 2.962 1.00 0.00 N ATOM 333 CA MET A 25 7.599 0.827 3.173 1.00 0.00 C ATOM 334 C MET A 25 8.210 1.888 4.083 1.00 0.00 C ATOM 335 O MET A 25 9.149 1.613 4.831 1.00 0.00 O ATOM 336 CB MET A 25 8.338 0.799 1.834 1.00 0.00 C ATOM 337 CG MET A 25 7.952 -0.377 0.951 1.00 0.00 C ATOM 338 SD MET A 25 8.852 -1.883 1.368 1.00 0.00 S ATOM 339 CE MET A 25 7.920 -3.101 0.442 1.00 0.00 C ATOM 0 H MET A 25 5.951 1.478 2.052 1.00 0.00 H new ATOM 0 HA MET A 25 7.703 -0.144 3.657 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.137 1.727 1.298 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.411 0.765 2.021 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.882 -0.560 1.044 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.142 -0.122 -0.091 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.495 -3.833 1.129 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.117 -2.606 -0.104 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.581 -3.606 -0.263 1.00 0.00 H new ATOM 349 N LYS A 26 7.673 3.101 4.013 1.00 0.00 N ATOM 350 CA LYS A 26 8.164 4.204 4.831 1.00 0.00 C ATOM 351 C LYS A 26 7.559 4.155 6.230 1.00 0.00 C ATOM 352 O LYS A 26 8.271 3.981 7.219 1.00 0.00 O ATOM 353 CB LYS A 26 7.835 5.543 4.168 1.00 0.00 C ATOM 354 CG LYS A 26 8.303 6.748 4.965 1.00 0.00 C ATOM 355 CD LYS A 26 7.846 8.050 4.329 1.00 0.00 C ATOM 356 CE LYS A 26 8.124 9.240 5.234 1.00 0.00 C ATOM 357 NZ LYS A 26 9.579 9.546 5.317 1.00 0.00 N ATOM 0 H LYS A 26 6.897 3.346 3.398 1.00 0.00 H new ATOM 0 HA LYS A 26 9.246 4.105 4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.293 5.572 3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.757 5.611 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.917 6.684 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.391 6.739 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.356 8.189 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.779 7.996 4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.590 10.113 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.739 9.035 6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.727 10.363 5.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.086 8.722 5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.942 9.767 4.368 1.00 0.00 H new ATOM 371 N TYR A 27 6.242 4.308 6.306 1.00 0.00 N ATOM 372 CA TYR A 27 5.541 4.283 7.585 1.00 0.00 C ATOM 373 C TYR A 27 5.481 2.864 8.144 1.00 0.00 C ATOM 374 O TYR A 27 5.459 2.664 9.358 1.00 0.00 O ATOM 375 CB TYR A 27 4.126 4.841 7.426 1.00 0.00 C ATOM 376 CG TYR A 27 4.063 6.105 6.599 1.00 0.00 C ATOM 377 CD1 TYR A 27 5.039 7.087 6.719 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.028 6.318 5.697 1.00 0.00 C ATOM 379 CE1 TYR A 27 4.986 8.244 5.966 1.00 0.00 C ATOM 380 CE2 TYR A 27 2.967 7.471 4.939 1.00 0.00 C ATOM 381 CZ TYR A 27 3.948 8.431 5.077 1.00 0.00 C ATOM 382 OH TYR A 27 3.890 9.581 4.324 1.00 0.00 O ATOM 0 H TYR A 27 5.638 4.451 5.497 1.00 0.00 H new ATOM 0 HA TYR A 27 6.093 4.908 8.286 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.495 4.082 6.963 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.711 5.042 8.414 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.854 6.943 7.413 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.258 5.569 5.587 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.752 8.997 6.073 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.156 7.620 4.242 1.00 0.00 H new ATOM 0 HH TYR A 27 3.098 9.555 3.748 1.00 0.00 H new ATOM 392 N GLY A 28 5.454 1.882 7.248 1.00 0.00 N ATOM 393 CA GLY A 28 5.397 0.495 7.670 1.00 0.00 C ATOM 394 C GLY A 28 4.017 -0.107 7.498 1.00 0.00 C ATOM 395 O GLY A 28 3.068 0.589 7.137 1.00 0.00 O ATOM 0 H GLY A 28 5.471 2.022 6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.118 -0.086 7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.693 0.424 8.717 1.00 0.00 H new ATOM 399 N LYS A 29 3.904 -1.406 7.754 1.00 0.00 N ATOM 400 CA LYS A 29 2.630 -2.104 7.624 1.00 0.00 C ATOM 401 C LYS A 29 1.809 -1.980 8.904 1.00 0.00 C ATOM 402 O LYS A 29 1.214 -2.952 9.367 1.00 0.00 O ATOM 403 CB LYS A 29 2.864 -3.580 7.297 1.00 0.00 C ATOM 404 CG LYS A 29 3.415 -3.813 5.900 1.00 0.00 C ATOM 405 CD LYS A 29 4.272 -5.066 5.841 1.00 0.00 C ATOM 406 CE LYS A 29 5.362 -4.946 4.788 1.00 0.00 C ATOM 407 NZ LYS A 29 6.596 -4.318 5.336 1.00 0.00 N ATOM 0 H LYS A 29 4.680 -1.997 8.053 1.00 0.00 H new ATOM 0 HA LYS A 29 2.073 -1.642 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.557 -4.000 8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.923 -4.121 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.590 -3.901 5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.007 -2.951 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.725 -5.245 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.643 -5.928 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.601 -5.935 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.994 -4.353 3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.315 -4.254 4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.374 -3.364 5.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.962 -4.897 6.119 1.00 0.00 H new ATOM 421 N ASN A 30 1.782 -0.778 9.471 1.00 0.00 N ATOM 422 CA ASN A 30 1.034 -0.528 10.697 1.00 0.00 C ATOM 423 C ASN A 30 0.165 0.719 10.559 1.00 0.00 C ATOM 424 O ASN A 30 -0.969 0.753 11.037 1.00 0.00 O ATOM 425 CB ASN A 30 1.991 -0.368 11.880 1.00 0.00 C ATOM 426 CG ASN A 30 3.092 0.637 11.601 1.00 0.00 C ATOM 427 OD1 ASN A 30 3.828 0.512 10.622 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.209 1.640 12.463 1.00 0.00 N ATOM 0 H ASN A 30 2.270 0.038 9.101 1.00 0.00 H new ATOM 0 HA ASN A 30 0.384 -1.384 10.878 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.429 -0.052 12.759 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.436 -1.334 12.117 1.00 0.00 H new ATOM 0 HD21 ASN A 30 3.931 2.347 12.328 1.00 0.00 H new ATOM 0 HD22 ASN A 30 2.576 1.703 13.261 1.00 0.00 H new ATOM 435 N GLN A 31 0.706 1.741 9.903 1.00 0.00 N ATOM 436 CA GLN A 31 -0.020 2.989 9.703 1.00 0.00 C ATOM 437 C GLN A 31 -0.955 2.889 8.502 1.00 0.00 C ATOM 438 O GLN A 31 -1.113 3.846 7.744 1.00 0.00 O ATOM 439 CB GLN A 31 0.960 4.147 9.506 1.00 0.00 C ATOM 440 CG GLN A 31 2.043 4.216 10.570 1.00 0.00 C ATOM 441 CD GLN A 31 2.665 5.594 10.682 1.00 0.00 C ATOM 442 OE1 GLN A 31 2.601 6.394 9.748 1.00 0.00 O ATOM 443 NE2 GLN A 31 3.273 5.878 11.827 1.00 0.00 N ATOM 0 H GLN A 31 1.644 1.729 9.502 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.621 3.177 10.593 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.430 4.052 8.527 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.405 5.085 9.503 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.619 3.934 11.534 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.821 3.488 10.339 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.302 5.185 12.575 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.711 6.790 11.959 1.00 0.00 H new ATOM 452 N TRP A 32 -1.572 1.725 8.335 1.00 0.00 N ATOM 453 CA TRP A 32 -2.492 1.500 7.226 1.00 0.00 C ATOM 454 C TRP A 32 -3.551 2.595 7.165 1.00 0.00 C ATOM 455 O TRP A 32 -3.944 3.032 6.084 1.00 0.00 O ATOM 456 CB TRP A 32 -3.163 0.132 7.362 1.00 0.00 C ATOM 457 CG TRP A 32 -2.243 -1.013 7.064 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.892 -2.025 7.912 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.555 -1.262 5.833 1.00 0.00 C ATOM 460 NE1 TRP A 32 -1.028 -2.888 7.282 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.806 -2.442 6.006 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.501 -0.604 4.601 1.00 0.00 C ATOM 463 CZ2 TRP A 32 -0.013 -2.975 4.993 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.713 -1.134 3.597 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.022 -2.310 3.797 1.00 0.00 C ATOM 0 H TRP A 32 -1.452 0.923 8.953 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.917 1.525 6.300 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.549 0.024 8.375 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.018 0.086 6.688 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.242 -2.131 8.928 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.618 -3.725 7.697 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.065 0.302 4.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.554 -3.881 5.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.663 -0.633 2.642 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.628 -2.699 2.992 1.00 0.00 H new ATOM 476 N SER A 33 -4.009 3.035 8.333 1.00 0.00 N ATOM 477 CA SER A 33 -5.025 4.077 8.412 1.00 0.00 C ATOM 478 C SER A 33 -4.514 5.382 7.808 1.00 0.00 C ATOM 479 O SER A 33 -5.165 5.979 6.952 1.00 0.00 O ATOM 480 CB SER A 33 -5.441 4.305 9.867 1.00 0.00 C ATOM 481 OG SER A 33 -4.321 4.625 10.673 1.00 0.00 O ATOM 0 H SER A 33 -3.692 2.686 9.237 1.00 0.00 H new ATOM 0 HA SER A 33 -5.892 3.747 7.840 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.172 5.112 9.917 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.928 3.410 10.254 1.00 0.00 H new ATOM 0 HG SER A 33 -4.613 4.768 11.597 1.00 0.00 H new ATOM 487 N ARG A 34 -3.342 5.817 8.261 1.00 0.00 N ATOM 488 CA ARG A 34 -2.743 7.051 7.767 1.00 0.00 C ATOM 489 C ARG A 34 -2.496 6.971 6.263 1.00 0.00 C ATOM 490 O ARG A 34 -2.756 7.926 5.530 1.00 0.00 O ATOM 491 CB ARG A 34 -1.428 7.332 8.496 1.00 0.00 C ATOM 492 CG ARG A 34 -0.966 8.775 8.384 1.00 0.00 C ATOM 493 CD ARG A 34 0.549 8.883 8.460 1.00 0.00 C ATOM 494 NE ARG A 34 0.980 10.165 9.012 1.00 0.00 N ATOM 495 CZ ARG A 34 2.249 10.554 9.063 1.00 0.00 C ATOM 496 NH1 ARG A 34 3.207 9.764 8.596 1.00 0.00 N ATOM 497 NH2 ARG A 34 2.562 11.735 9.580 1.00 0.00 N ATOM 0 H ARG A 34 -2.789 5.333 8.969 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.440 7.867 7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.545 7.078 9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.653 6.679 8.094 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.315 9.198 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.414 9.365 9.184 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.940 8.073 9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.972 8.757 7.463 1.00 0.00 H new ATOM 0 HE ARG A 34 0.267 10.796 9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.970 8.856 8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.181 10.065 8.636 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.828 12.345 9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.537 12.033 9.619 1.00 0.00 H new ATOM 511 N ILE A 35 -1.992 5.827 5.811 1.00 0.00 N ATOM 512 CA ILE A 35 -1.711 5.623 4.396 1.00 0.00 C ATOM 513 C ILE A 35 -2.967 5.816 3.552 1.00 0.00 C ATOM 514 O ILE A 35 -2.930 6.458 2.503 1.00 0.00 O ATOM 515 CB ILE A 35 -1.140 4.218 4.132 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.154 4.013 4.923 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.895 4.016 2.644 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.588 2.566 5.007 1.00 0.00 C ATOM 0 H ILE A 35 -1.770 5.028 6.405 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.967 6.368 4.112 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.868 3.478 4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.950 4.596 4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.019 4.403 5.932 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.491 3.018 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.835 4.124 2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.183 4.761 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.512 2.496 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.190 1.981 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.755 2.177 4.002 1.00 0.00 H new ATOM 530 N ALA A 36 -4.078 5.257 4.020 1.00 0.00 N ATOM 531 CA ALA A 36 -5.347 5.370 3.310 1.00 0.00 C ATOM 532 C ALA A 36 -5.639 6.819 2.936 1.00 0.00 C ATOM 533 O ALA A 36 -6.113 7.103 1.837 1.00 0.00 O ATOM 534 CB ALA A 36 -6.477 4.803 4.157 1.00 0.00 C ATOM 0 H ALA A 36 -4.126 4.722 4.887 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.273 4.792 2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.419 4.894 3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.280 3.752 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.543 5.357 5.094 1.00 0.00 H new ATOM 540 N SER A 37 -5.353 7.733 3.859 1.00 0.00 N ATOM 541 CA SER A 37 -5.590 9.153 3.627 1.00 0.00 C ATOM 542 C SER A 37 -4.894 9.619 2.352 1.00 0.00 C ATOM 543 O SER A 37 -5.434 10.426 1.595 1.00 0.00 O ATOM 544 CB SER A 37 -5.098 9.975 4.820 1.00 0.00 C ATOM 545 OG SER A 37 -6.017 9.913 5.896 1.00 0.00 O ATOM 0 H SER A 37 -4.957 7.515 4.773 1.00 0.00 H new ATOM 0 HA SER A 37 -6.663 9.303 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.126 9.603 5.146 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.957 11.013 4.517 1.00 0.00 H new ATOM 0 HG SER A 37 -5.679 10.445 6.646 1.00 0.00 H new ATOM 551 N LEU A 38 -3.691 9.104 2.121 1.00 0.00 N ATOM 552 CA LEU A 38 -2.918 9.467 0.937 1.00 0.00 C ATOM 553 C LEU A 38 -3.719 9.208 -0.335 1.00 0.00 C ATOM 554 O LEU A 38 -3.778 10.056 -1.227 1.00 0.00 O ATOM 555 CB LEU A 38 -1.608 8.678 0.898 1.00 0.00 C ATOM 556 CG LEU A 38 -0.710 8.807 2.129 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.326 7.694 2.153 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.033 10.169 2.155 1.00 0.00 C ATOM 0 H LEU A 38 -3.230 8.434 2.737 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.692 10.532 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.846 7.624 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.041 8.998 0.024 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.332 8.716 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.956 7.802 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.178 6.728 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.944 7.753 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.602 10.243 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.576 10.290 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.791 10.952 2.187 1.00 0.00 H new ATOM 570 N LEU A 39 -4.335 8.034 -0.412 1.00 0.00 N ATOM 571 CA LEU A 39 -5.135 7.664 -1.575 1.00 0.00 C ATOM 572 C LEU A 39 -6.591 8.077 -1.388 1.00 0.00 C ATOM 573 O LEU A 39 -7.152 7.939 -0.300 1.00 0.00 O ATOM 574 CB LEU A 39 -5.048 6.157 -1.820 1.00 0.00 C ATOM 575 CG LEU A 39 -3.639 5.566 -1.877 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.653 4.108 -1.448 1.00 0.00 C ATOM 577 CD2 LEU A 39 -3.058 5.707 -3.277 1.00 0.00 C ATOM 0 H LEU A 39 -4.296 7.322 0.317 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.736 8.190 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.602 5.648 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.553 5.932 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.005 6.120 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.641 3.705 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.026 4.033 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.302 3.539 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.055 5.281 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.692 5.179 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.010 6.762 -3.547 1.00 0.00 H new ATOM 589 N HIS A 40 -7.199 8.584 -2.456 1.00 0.00 N ATOM 590 CA HIS A 40 -8.592 9.014 -2.410 1.00 0.00 C ATOM 591 C HIS A 40 -9.534 7.827 -2.585 1.00 0.00 C ATOM 592 O HIS A 40 -9.347 7.000 -3.478 1.00 0.00 O ATOM 593 CB HIS A 40 -8.861 10.058 -3.495 1.00 0.00 C ATOM 594 CG HIS A 40 -9.204 9.464 -4.826 1.00 0.00 C ATOM 595 ND1 HIS A 40 -8.434 8.500 -5.441 1.00 0.00 N ATOM 596 CD2 HIS A 40 -10.244 9.701 -5.660 1.00 0.00 C ATOM 597 CE1 HIS A 40 -8.983 8.171 -6.596 1.00 0.00 C ATOM 598 NE2 HIS A 40 -10.083 8.885 -6.753 1.00 0.00 N ATOM 0 H HIS A 40 -6.749 8.707 -3.363 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.777 9.460 -1.433 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.679 10.703 -3.173 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.980 10.691 -3.605 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.050 10.401 -5.496 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.598 7.442 -7.294 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.711 8.838 -7.555 1.00 0.00 H new ATOM 607 N ARG A 41 -10.546 7.749 -1.727 1.00 0.00 N ATOM 608 CA ARG A 41 -11.516 6.662 -1.787 1.00 0.00 C ATOM 609 C ARG A 41 -10.888 5.348 -1.330 1.00 0.00 C ATOM 610 O ARG A 41 -11.208 4.280 -1.852 1.00 0.00 O ATOM 611 CB ARG A 41 -12.060 6.512 -3.208 1.00 0.00 C ATOM 612 CG ARG A 41 -12.459 7.831 -3.850 1.00 0.00 C ATOM 613 CD ARG A 41 -13.557 7.638 -4.884 1.00 0.00 C ATOM 614 NE ARG A 41 -14.260 8.885 -5.175 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.005 9.533 -4.287 1.00 0.00 C ATOM 616 NH1 ARG A 41 -15.144 9.055 -3.058 1.00 0.00 N ATOM 617 NH2 ARG A 41 -15.613 10.662 -4.627 1.00 0.00 N ATOM 0 H ARG A 41 -10.716 8.425 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.339 6.906 -1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.304 6.030 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.926 5.850 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.800 8.523 -3.080 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.588 8.285 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.124 7.243 -5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.269 6.896 -4.522 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.174 9.280 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.678 8.187 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.717 9.555 -2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.509 11.033 -5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.185 11.159 -3.944 1.00 0.00 H new ATOM 631 N LYS A 42 -9.992 5.434 -0.353 1.00 0.00 N ATOM 632 CA LYS A 42 -9.319 4.254 0.176 1.00 0.00 C ATOM 633 C LYS A 42 -9.364 4.239 1.700 1.00 0.00 C ATOM 634 O LYS A 42 -9.470 5.286 2.338 1.00 0.00 O ATOM 635 CB LYS A 42 -7.866 4.213 -0.303 1.00 0.00 C ATOM 636 CG LYS A 42 -7.724 3.970 -1.796 1.00 0.00 C ATOM 637 CD LYS A 42 -8.102 2.547 -2.168 1.00 0.00 C ATOM 638 CE LYS A 42 -8.358 2.410 -3.661 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.673 2.988 -4.053 1.00 0.00 N ATOM 0 H LYS A 42 -9.715 6.310 0.089 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.842 3.372 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.382 5.156 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.336 3.428 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.357 4.670 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.696 4.166 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.303 1.868 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.994 2.250 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.562 2.910 -4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.327 1.357 -3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.284 2.236 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.126 3.416 -3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.529 3.716 -4.781 1.00 0.00 H new ATOM 653 N SER A 43 -9.280 3.045 2.279 1.00 0.00 N ATOM 654 CA SER A 43 -9.313 2.894 3.729 1.00 0.00 C ATOM 655 C SER A 43 -8.344 1.807 4.184 1.00 0.00 C ATOM 656 O SER A 43 -7.894 0.987 3.385 1.00 0.00 O ATOM 657 CB SER A 43 -10.731 2.557 4.195 1.00 0.00 C ATOM 658 OG SER A 43 -11.242 1.432 3.502 1.00 0.00 O ATOM 0 H SER A 43 -9.189 2.168 1.766 1.00 0.00 H new ATOM 0 HA SER A 43 -9.006 3.840 4.176 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.727 2.357 5.266 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.384 3.415 4.033 1.00 0.00 H new ATOM 0 HG SER A 43 -12.148 1.236 3.819 1.00 0.00 H new ATOM 664 N ALA A 44 -8.026 1.809 5.474 1.00 0.00 N ATOM 665 CA ALA A 44 -7.112 0.824 6.038 1.00 0.00 C ATOM 666 C ALA A 44 -7.422 -0.575 5.514 1.00 0.00 C ATOM 667 O ALA A 44 -6.517 -1.337 5.175 1.00 0.00 O ATOM 668 CB ALA A 44 -7.182 0.848 7.558 1.00 0.00 C ATOM 0 H ALA A 44 -8.388 2.483 6.149 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.100 1.084 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.494 0.107 7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.905 1.838 7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.197 0.616 7.879 1.00 0.00 H new ATOM 674 N LYS A 45 -8.707 -0.907 5.452 1.00 0.00 N ATOM 675 CA LYS A 45 -9.138 -2.213 4.969 1.00 0.00 C ATOM 676 C LYS A 45 -8.640 -2.460 3.549 1.00 0.00 C ATOM 677 O LYS A 45 -8.083 -3.517 3.252 1.00 0.00 O ATOM 678 CB LYS A 45 -10.664 -2.318 5.011 1.00 0.00 C ATOM 679 CG LYS A 45 -11.172 -3.739 5.177 1.00 0.00 C ATOM 680 CD LYS A 45 -10.907 -4.575 3.937 1.00 0.00 C ATOM 681 CE LYS A 45 -11.893 -5.728 3.819 1.00 0.00 C ATOM 682 NZ LYS A 45 -13.149 -5.315 3.135 1.00 0.00 N ATOM 0 H LYS A 45 -9.469 -0.289 5.731 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.710 -2.973 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.039 -1.709 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.074 -1.900 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.689 -4.201 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.242 -3.722 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.976 -3.944 3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.890 -4.967 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.431 -6.546 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.129 -6.108 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.795 -6.128 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.604 -4.551 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.927 -4.977 2.177 1.00 0.00 H new ATOM 696 N GLN A 46 -8.843 -1.478 2.676 1.00 0.00 N ATOM 697 CA GLN A 46 -8.413 -1.590 1.288 1.00 0.00 C ATOM 698 C GLN A 46 -6.891 -1.640 1.191 1.00 0.00 C ATOM 699 O GLN A 46 -6.327 -2.563 0.603 1.00 0.00 O ATOM 700 CB GLN A 46 -8.949 -0.414 0.469 1.00 0.00 C ATOM 701 CG GLN A 46 -10.333 -0.656 -0.110 1.00 0.00 C ATOM 702 CD GLN A 46 -10.451 -2.003 -0.795 1.00 0.00 C ATOM 703 OE1 GLN A 46 -11.043 -2.938 -0.254 1.00 0.00 O ATOM 704 NE2 GLN A 46 -9.888 -2.110 -1.992 1.00 0.00 N ATOM 0 H GLN A 46 -9.302 -0.597 2.906 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.815 -2.519 0.884 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.979 0.474 1.100 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.256 -0.203 -0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.073 -0.592 0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.567 0.133 -0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.407 -1.310 -2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.936 -2.993 -2.501 1.00 0.00 H new ATOM 713 N CYS A 47 -6.234 -0.642 1.771 1.00 0.00 N ATOM 714 CA CYS A 47 -4.777 -0.572 1.749 1.00 0.00 C ATOM 715 C CYS A 47 -4.162 -1.875 2.249 1.00 0.00 C ATOM 716 O CYS A 47 -3.206 -2.387 1.667 1.00 0.00 O ATOM 717 CB CYS A 47 -4.289 0.598 2.606 1.00 0.00 C ATOM 718 SG CYS A 47 -4.642 2.225 1.902 1.00 0.00 S ATOM 0 H CYS A 47 -6.686 0.129 2.262 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.461 -0.415 0.718 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.752 0.532 3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.213 0.503 2.753 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.858 3.111 2.441 1.00 0.00 H new ATOM 724 N LYS A 48 -4.716 -2.407 3.334 1.00 0.00 N ATOM 725 CA LYS A 48 -4.224 -3.650 3.914 1.00 0.00 C ATOM 726 C LYS A 48 -4.549 -4.837 3.013 1.00 0.00 C ATOM 727 O LYS A 48 -3.717 -5.722 2.812 1.00 0.00 O ATOM 728 CB LYS A 48 -4.834 -3.867 5.301 1.00 0.00 C ATOM 729 CG LYS A 48 -4.057 -4.850 6.160 1.00 0.00 C ATOM 730 CD LYS A 48 -4.268 -4.583 7.641 1.00 0.00 C ATOM 731 CE LYS A 48 -3.344 -5.435 8.498 1.00 0.00 C ATOM 732 NZ LYS A 48 -3.811 -6.847 8.583 1.00 0.00 N ATOM 0 H LYS A 48 -5.507 -1.995 3.829 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.141 -3.574 4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.889 -2.909 5.819 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.857 -4.226 5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.370 -5.867 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.995 -4.781 5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.091 -3.528 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.305 -4.790 7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.337 -5.410 8.082 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.285 -5.011 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.155 -7.395 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.762 -6.873 9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.843 -7.260 7.629 1.00 0.00 H new ATOM 746 N ALA A 49 -5.763 -4.849 2.473 1.00 0.00 N ATOM 747 CA ALA A 49 -6.196 -5.926 1.591 1.00 0.00 C ATOM 748 C ALA A 49 -5.398 -5.926 0.291 1.00 0.00 C ATOM 749 O ALA A 49 -4.650 -6.863 0.011 1.00 0.00 O ATOM 750 CB ALA A 49 -7.684 -5.802 1.298 1.00 0.00 C ATOM 0 H ALA A 49 -6.464 -4.125 2.631 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.014 -6.873 2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.994 -6.613 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.245 -5.859 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.881 -4.845 0.814 1.00 0.00 H new ATOM 756 N ARG A 50 -5.562 -4.869 -0.498 1.00 0.00 N ATOM 757 CA ARG A 50 -4.858 -4.749 -1.769 1.00 0.00 C ATOM 758 C ARG A 50 -3.387 -5.127 -1.614 1.00 0.00 C ATOM 759 O ARG A 50 -2.811 -5.785 -2.480 1.00 0.00 O ATOM 760 CB ARG A 50 -4.974 -3.322 -2.308 1.00 0.00 C ATOM 761 CG ARG A 50 -3.907 -2.967 -3.330 1.00 0.00 C ATOM 762 CD ARG A 50 -3.976 -3.878 -4.546 1.00 0.00 C ATOM 763 NE ARG A 50 -3.512 -3.208 -5.758 1.00 0.00 N ATOM 764 CZ ARG A 50 -3.789 -3.634 -6.986 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.526 -4.723 -7.162 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.331 -2.971 -8.039 1.00 0.00 N ATOM 0 H ARG A 50 -6.176 -4.084 -0.280 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.320 -5.437 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.957 -3.193 -2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.914 -2.622 -1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.032 -1.930 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.921 -3.045 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.370 -4.767 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.003 -4.215 -4.689 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.944 -2.367 -5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.881 -5.235 -6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.738 -5.049 -8.105 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.765 -2.133 -7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.545 -3.299 -8.981 1.00 0.00 H new ATOM 780 N TRP A 51 -2.788 -4.705 -0.507 1.00 0.00 N ATOM 781 CA TRP A 51 -1.384 -4.999 -0.239 1.00 0.00 C ATOM 782 C TRP A 51 -1.161 -6.500 -0.093 1.00 0.00 C ATOM 783 O TRP A 51 -0.569 -7.137 -0.966 1.00 0.00 O ATOM 784 CB TRP A 51 -0.924 -4.277 1.029 1.00 0.00 C ATOM 785 CG TRP A 51 0.401 -4.758 1.538 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.615 -5.717 2.487 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.694 -4.302 1.128 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.964 -5.884 2.691 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.647 -5.028 1.869 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.140 -3.352 0.205 1.00 0.00 C ATOM 791 CZ2 TRP A 51 4.017 -4.832 1.714 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.500 -3.157 0.054 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.425 -3.895 0.804 1.00 0.00 C ATOM 0 H TRP A 51 -3.251 -4.159 0.219 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.796 -4.644 -1.085 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.861 -3.208 0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.675 -4.411 1.808 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.162 -6.264 3.001 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.388 -6.539 3.348 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.435 -2.780 -0.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.732 -5.399 2.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.856 -2.423 -0.654 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.481 -3.721 0.661 1.00 0.00 H new ATOM 804 N TYR A 52 -1.637 -7.061 1.013 1.00 0.00 N ATOM 805 CA TYR A 52 -1.487 -8.487 1.272 1.00 0.00 C ATOM 806 C TYR A 52 -2.040 -9.313 0.115 1.00 0.00 C ATOM 807 O TYR A 52 -1.674 -10.474 -0.063 1.00 0.00 O ATOM 808 CB TYR A 52 -2.199 -8.868 2.572 1.00 0.00 C ATOM 809 CG TYR A 52 -1.397 -8.556 3.815 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.285 -9.314 4.158 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.753 -7.501 4.647 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.449 -9.032 5.294 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.023 -7.211 5.784 1.00 0.00 C ATOM 814 CZ TYR A 52 0.077 -7.980 6.103 1.00 0.00 C ATOM 815 OH TYR A 52 0.806 -7.695 7.234 1.00 0.00 O ATOM 0 H TYR A 52 -2.130 -6.549 1.745 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.423 -8.702 1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.152 -8.341 2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.425 -9.934 2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.011 -10.138 3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.614 -6.898 4.401 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.310 -9.633 5.547 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.312 -6.387 6.419 1.00 0.00 H new ATOM 0 HH TYR A 52 0.412 -6.923 7.692 1.00 0.00 H new ATOM 825 N GLU A 53 -2.925 -8.704 -0.668 1.00 0.00 N ATOM 826 CA GLU A 53 -3.529 -9.382 -1.809 1.00 0.00 C ATOM 827 C GLU A 53 -2.478 -9.716 -2.863 1.00 0.00 C ATOM 828 O GLU A 53 -2.275 -10.881 -3.205 1.00 0.00 O ATOM 829 CB GLU A 53 -4.627 -8.513 -2.425 1.00 0.00 C ATOM 830 CG GLU A 53 -6.004 -8.758 -1.829 1.00 0.00 C ATOM 831 CD GLU A 53 -7.111 -8.098 -2.628 1.00 0.00 C ATOM 832 OE1 GLU A 53 -6.909 -7.863 -3.839 1.00 0.00 O ATOM 833 OE2 GLU A 53 -8.178 -7.816 -2.044 1.00 0.00 O ATOM 0 H GLU A 53 -3.239 -7.743 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.970 -10.313 -1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.365 -7.463 -2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.667 -8.699 -3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.188 -9.831 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.025 -8.382 -0.806 1.00 0.00 H new ATOM 840 N TRP A 54 -1.814 -8.686 -3.374 1.00 0.00 N ATOM 841 CA TRP A 54 -0.784 -8.869 -4.390 1.00 0.00 C ATOM 842 C TRP A 54 0.539 -8.260 -3.940 1.00 0.00 C ATOM 843 O TRP A 54 1.603 -8.853 -4.126 1.00 0.00 O ATOM 844 CB TRP A 54 -1.226 -8.240 -5.713 1.00 0.00 C ATOM 845 CG TRP A 54 -2.709 -8.283 -5.925 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.570 -7.223 -5.908 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.505 -9.445 -6.183 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.853 -7.656 -6.140 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.840 -9.015 -6.313 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.219 -10.806 -6.319 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.884 -9.898 -6.571 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.257 -11.682 -6.574 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.576 -11.225 -6.699 1.00 0.00 C ATOM 0 H TRP A 54 -1.970 -7.716 -3.102 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.638 -9.939 -4.536 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.892 -7.203 -5.744 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.733 -8.758 -6.536 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.284 -6.196 -5.737 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.681 -7.062 -6.177 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.205 -11.167 -6.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.901 -9.548 -6.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.048 -12.736 -6.679 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.365 -11.934 -6.900 1.00 0.00 H new ATOM 864 N LEU A 55 0.468 -7.072 -3.349 1.00 0.00 N ATOM 865 CA LEU A 55 1.661 -6.382 -2.872 1.00 0.00 C ATOM 866 C LEU A 55 2.071 -6.893 -1.494 1.00 0.00 C ATOM 867 O LEU A 55 1.646 -6.357 -0.470 1.00 0.00 O ATOM 868 CB LEU A 55 1.414 -4.874 -2.816 1.00 0.00 C ATOM 869 CG LEU A 55 0.418 -4.319 -3.835 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.384 -2.800 -3.776 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.769 -4.793 -5.238 1.00 0.00 C ATOM 0 H LEU A 55 -0.403 -6.567 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 55 2.472 -6.585 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.060 -4.621 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.367 -4.364 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.574 -4.694 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.330 -2.423 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.083 -2.481 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.375 -2.405 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.049 -4.388 -5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.770 -4.449 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.740 -5.882 -5.272 1.00 0.00 H new ATOM 883 N ASP A 56 2.901 -7.930 -1.476 1.00 0.00 N ATOM 884 CA ASP A 56 3.371 -8.511 -0.224 1.00 0.00 C ATOM 885 C ASP A 56 4.522 -9.481 -0.474 1.00 0.00 C ATOM 886 O ASP A 56 4.520 -10.250 -1.435 1.00 0.00 O ATOM 887 CB ASP A 56 2.227 -9.232 0.491 1.00 0.00 C ATOM 888 CG ASP A 56 2.504 -9.437 1.967 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.116 -10.467 2.318 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.108 -8.567 2.772 1.00 0.00 O ATOM 0 H ASP A 56 3.262 -8.385 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 56 3.732 -7.701 0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.309 -8.656 0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.059 -10.200 0.018 1.00 0.00 H new ATOM 895 N PRO A 57 5.529 -9.445 0.411 1.00 0.00 N ATOM 896 CA PRO A 57 6.706 -10.314 0.307 1.00 0.00 C ATOM 897 C PRO A 57 6.375 -11.774 0.596 1.00 0.00 C ATOM 898 O PRO A 57 6.722 -12.664 -0.181 1.00 0.00 O ATOM 899 CB PRO A 57 7.652 -9.759 1.375 1.00 0.00 C ATOM 900 CG PRO A 57 6.758 -9.099 2.367 1.00 0.00 C ATOM 901 CD PRO A 57 5.598 -8.554 1.581 1.00 0.00 C ATOM 0 HA PRO A 57 7.127 -10.311 -0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.237 -10.554 1.837 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.360 -9.050 0.947 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.419 -9.810 3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.281 -8.301 2.894 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.674 -8.578 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.763 -7.517 1.287 1.00 0.00 H new