USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 674 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 28 SER OG : rot 180:sc= -0.02 USER MOD Set 1.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 9 THR OG1 : rot -174:sc= 1.1 USER MOD Set 2.2: A 13 THR OG1 : rot 106:sc= 1.34 USER MOD Single : A 0 PHE N :NH3+ 148:sc= 0.0172 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -11:sc= -0.0142 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0.046 K(o=0.046,f=-6.1!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.557 K(o=-0.56,f=-5.5!) USER MOD Single : A 24 ASN : amide:sc= 1.12 K(o=1.1,f=-0.098) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -89:sc= 1.14 USER MOD Single : A 33 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.018) USER MOD Single : A 43 SER OG : rot 32:sc= 0.144 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -131:sc= -0.464 (180deg=-1.66!) USER MOD Single : A 49 CYS SG : rot 77:sc= -8.04! USER MOD Single : A 52 LYS NZ :NH3+ 135:sc= 0.982 (180deg=0.00773) USER MOD Single : A 59 THR OG1 : rot 56:sc= -0.242 USER MOD Single : A 61 MET CE :methyl 165:sc= -0.0444 (180deg=-0.584) USER MOD Single : A 69 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.13) USER MOD Single : A 70 HIS : no HD1:sc= -0.0818 X(o=-0.082,f=-0.54) USER MOD Single : A 72 TYR OH : rot 180:sc=-0.00324 USER MOD Single : A 73 MET CE :methyl -174:sc=-0.00404 (180deg=-0.0622) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -2.05 K(o=-2,f=-7.5!) USER MOD Single : A 82 GLN : amide:sc= -0.0913 K(o=-0.091,f=-0.71) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 73:sc= 0.0588 USER MOD Single : A 92 LYS NZ :NH3+ 146:sc= 0.95 (180deg=-0.418!) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -7.381 9.834 3.218 1.00 0.00 N ATOM 91 CA PHE A 0 -5.952 10.044 3.048 1.00 0.00 C ATOM 92 C PHE A 0 -5.176 9.189 4.041 1.00 0.00 C ATOM 93 O PHE A 0 -5.553 9.089 5.207 1.00 0.00 O ATOM 94 CB PHE A 0 -5.599 11.526 3.237 1.00 0.00 C ATOM 95 CG PHE A 0 -4.155 11.847 2.958 1.00 0.00 C ATOM 96 CD1 PHE A 0 -3.711 12.012 1.656 1.00 0.00 C ATOM 97 CD2 PHE A 0 -3.244 11.987 3.994 1.00 0.00 C ATOM 98 CE1 PHE A 0 -2.388 12.307 1.391 1.00 0.00 C ATOM 99 CE2 PHE A 0 -1.919 12.283 3.736 1.00 0.00 C ATOM 100 CZ PHE A 0 -1.490 12.443 2.433 1.00 0.00 C ATOM 0 H1 PHE A 0 -7.890 10.712 2.992 1.00 0.00 H new ATOM 0 H2 PHE A 0 -7.699 9.076 2.581 1.00 0.00 H new ATOM 0 H3 PHE A 0 -7.577 9.564 4.203 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.676 9.749 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -6.228 12.126 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -5.835 11.819 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -4.408 11.909 0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -3.574 11.863 5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -2.056 12.431 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -1.220 12.389 4.552 1.00 0.00 H new ATOM 0 HZ PHE A 0 -0.455 12.674 2.229 1.00 0.00 H new ATOM 110 N MET A 1 -4.104 8.572 3.572 1.00 0.00 N ATOM 111 CA MET A 1 -3.262 7.743 4.425 1.00 0.00 C ATOM 112 C MET A 1 -1.793 7.960 4.087 1.00 0.00 C ATOM 113 O MET A 1 -1.440 8.083 2.915 1.00 0.00 O ATOM 114 CB MET A 1 -3.629 6.266 4.257 1.00 0.00 C ATOM 115 CG MET A 1 -2.784 5.324 5.099 1.00 0.00 C ATOM 116 SD MET A 1 -2.868 5.693 6.860 1.00 0.00 S ATOM 117 CE MET A 1 -1.672 4.524 7.493 1.00 0.00 C ATOM 0 H MET A 1 -3.794 8.629 2.602 1.00 0.00 H new ATOM 0 HA MET A 1 -3.429 8.030 5.463 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.678 6.130 4.519 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.524 5.992 3.207 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.115 4.299 4.931 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.747 5.382 4.770 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.604 4.624 8.576 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.985 3.511 7.241 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.697 4.724 7.048 1.00 0.00 H new ATOM 127 N GLU A 2 -0.943 8.004 5.105 1.00 0.00 N ATOM 128 CA GLU A 2 0.479 8.236 4.899 1.00 0.00 C ATOM 129 C GLU A 2 1.311 7.315 5.784 1.00 0.00 C ATOM 130 O GLU A 2 0.851 6.866 6.835 1.00 0.00 O ATOM 131 CB GLU A 2 0.833 9.697 5.189 1.00 0.00 C ATOM 132 CG GLU A 2 0.519 10.126 6.613 1.00 0.00 C ATOM 133 CD GLU A 2 0.882 11.570 6.882 1.00 0.00 C ATOM 134 OE1 GLU A 2 0.036 12.454 6.643 1.00 0.00 O ATOM 135 OE2 GLU A 2 2.012 11.831 7.346 1.00 0.00 O ATOM 0 H GLU A 2 -1.214 7.882 6.081 1.00 0.00 H new ATOM 0 HA GLU A 2 0.708 8.018 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.895 9.850 4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.289 10.339 4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.544 9.981 6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.059 9.484 7.309 1.00 0.00 H new ATOM 142 N GLY A 3 2.523 7.023 5.341 1.00 0.00 N ATOM 143 CA GLY A 3 3.425 6.206 6.121 1.00 0.00 C ATOM 144 C GLY A 3 4.325 5.377 5.236 1.00 0.00 C ATOM 145 O GLY A 3 4.430 5.641 4.039 1.00 0.00 O ATOM 0 H GLY A 3 2.900 7.340 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.032 6.844 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.850 5.550 6.774 1.00 0.00 H new ATOM 149 N VAL A 4 4.987 4.382 5.810 1.00 0.00 N ATOM 150 CA VAL A 4 5.851 3.514 5.023 1.00 0.00 C ATOM 151 C VAL A 4 5.365 2.074 5.097 1.00 0.00 C ATOM 152 O VAL A 4 4.606 1.704 5.997 1.00 0.00 O ATOM 153 CB VAL A 4 7.341 3.575 5.467 1.00 0.00 C ATOM 154 CG1 VAL A 4 7.724 4.964 5.944 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.657 2.528 6.527 1.00 0.00 C ATOM 0 H VAL A 4 4.944 4.158 6.804 1.00 0.00 H new ATOM 0 HA VAL A 4 5.799 3.879 3.997 1.00 0.00 H new ATOM 0 HB VAL A 4 7.944 3.346 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.771 4.969 6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.576 5.680 5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.100 5.242 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.707 2.603 6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.031 2.697 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.459 1.534 6.127 1.00 0.00 H new ATOM 165 N LEU A 5 5.805 1.275 4.141 1.00 0.00 N ATOM 166 CA LEU A 5 5.504 -0.149 4.114 1.00 0.00 C ATOM 167 C LEU A 5 6.778 -0.923 3.833 1.00 0.00 C ATOM 168 O LEU A 5 7.704 -0.404 3.199 1.00 0.00 O ATOM 169 CB LEU A 5 4.466 -0.515 3.034 1.00 0.00 C ATOM 170 CG LEU A 5 2.995 -0.189 3.333 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.580 -0.695 4.711 1.00 0.00 C ATOM 172 CD2 LEU A 5 2.735 1.296 3.184 1.00 0.00 C ATOM 0 H LEU A 5 6.381 1.593 3.361 1.00 0.00 H new ATOM 0 HA LEU A 5 5.085 -0.408 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.744 -0.005 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.542 -1.585 2.842 1.00 0.00 H new ATOM 0 HG LEU A 5 2.379 -0.712 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.534 -0.447 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.710 -1.776 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.200 -0.223 5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.687 1.505 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.367 1.848 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.964 1.605 2.164 1.00 0.00 H new ATOM 184 N TYR A 6 6.831 -2.148 4.325 1.00 0.00 N ATOM 185 CA TYR A 6 7.904 -3.060 3.981 1.00 0.00 C ATOM 186 C TYR A 6 7.802 -3.453 2.517 1.00 0.00 C ATOM 187 O TYR A 6 6.792 -4.000 2.075 1.00 0.00 O ATOM 188 CB TYR A 6 7.859 -4.293 4.893 1.00 0.00 C ATOM 189 CG TYR A 6 8.184 -5.614 4.219 1.00 0.00 C ATOM 190 CD1 TYR A 6 9.496 -6.003 3.996 1.00 0.00 C ATOM 191 CD2 TYR A 6 7.170 -6.478 3.817 1.00 0.00 C ATOM 192 CE1 TYR A 6 9.792 -7.213 3.392 1.00 0.00 C ATOM 193 CE2 TYR A 6 7.457 -7.686 3.211 1.00 0.00 C ATOM 194 CZ TYR A 6 8.768 -8.049 3.001 1.00 0.00 C ATOM 195 OH TYR A 6 9.057 -9.254 2.401 1.00 0.00 O ATOM 0 H TYR A 6 6.139 -2.534 4.967 1.00 0.00 H new ATOM 0 HA TYR A 6 8.863 -2.564 4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.559 -4.142 5.715 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.864 -4.363 5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.301 -5.350 4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.140 -6.199 3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.820 -7.501 3.228 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.656 -8.342 2.903 1.00 0.00 H new ATOM 0 HH TYR A 6 10.010 -9.286 2.174 1.00 0.00 H new ATOM 205 N LYS A 7 8.838 -3.142 1.766 1.00 0.00 N ATOM 206 CA LYS A 7 8.892 -3.503 0.363 1.00 0.00 C ATOM 207 C LYS A 7 10.056 -4.460 0.143 1.00 0.00 C ATOM 208 O LYS A 7 11.214 -4.100 0.367 1.00 0.00 O ATOM 209 CB LYS A 7 9.042 -2.243 -0.512 1.00 0.00 C ATOM 210 CG LYS A 7 8.635 -2.434 -1.975 1.00 0.00 C ATOM 211 CD LYS A 7 9.632 -3.286 -2.745 1.00 0.00 C ATOM 212 CE LYS A 7 9.121 -3.649 -4.133 1.00 0.00 C ATOM 213 NZ LYS A 7 8.995 -2.461 -5.021 1.00 0.00 N ATOM 0 H LYS A 7 9.658 -2.638 2.105 1.00 0.00 H new ATOM 0 HA LYS A 7 7.964 -3.996 0.075 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.439 -1.443 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.080 -1.913 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.651 -2.902 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.546 -1.460 -2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.575 -2.747 -2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.838 -4.198 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.799 -4.370 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.150 -4.137 -4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.644 -2.760 -5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.328 -1.783 -4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.925 -2.009 -5.130 1.00 0.00 H new ATOM 227 N TRP A 8 9.744 -5.679 -0.273 1.00 0.00 N ATOM 228 CA TRP A 8 10.772 -6.667 -0.561 1.00 0.00 C ATOM 229 C TRP A 8 11.464 -6.335 -1.876 1.00 0.00 C ATOM 230 O TRP A 8 10.814 -6.217 -2.917 1.00 0.00 O ATOM 231 CB TRP A 8 10.165 -8.072 -0.623 1.00 0.00 C ATOM 232 CG TRP A 8 11.189 -9.146 -0.853 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.450 -9.797 -2.025 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.101 -9.684 0.113 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.462 -10.708 -1.844 1.00 0.00 N ATOM 236 CE2 TRP A 8 12.878 -10.657 -0.541 1.00 0.00 C ATOM 237 CE3 TRP A 8 12.332 -9.437 1.469 1.00 0.00 C ATOM 238 CZ2 TRP A 8 13.870 -11.383 0.115 1.00 0.00 C ATOM 239 CZ3 TRP A 8 13.316 -10.156 2.118 1.00 0.00 C ATOM 240 CH2 TRP A 8 14.075 -11.119 1.442 1.00 0.00 C ATOM 0 H TRP A 8 8.789 -6.007 -0.418 1.00 0.00 H new ATOM 0 HA TRP A 8 11.509 -6.644 0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.637 -8.275 0.309 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.425 -8.107 -1.422 1.00 0.00 H new ATOM 0 HD1 TRP A 8 10.936 -9.621 -2.958 1.00 0.00 H new ATOM 0 HE1 TRP A 8 12.842 -11.323 -2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.751 -8.697 2.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 14.456 -12.127 -0.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.504 -9.972 3.166 1.00 0.00 H new ATOM 0 HH2 TRP A 8 14.837 -11.664 1.979 1.00 0.00 H new ATOM 251 N THR A 9 12.776 -6.176 -1.821 1.00 0.00 N ATOM 252 CA THR A 9 13.549 -5.817 -2.999 1.00 0.00 C ATOM 253 C THR A 9 14.347 -7.010 -3.516 1.00 0.00 C ATOM 254 O THR A 9 14.102 -7.507 -4.614 1.00 0.00 O ATOM 255 CB THR A 9 14.499 -4.643 -2.695 1.00 0.00 C ATOM 256 OG1 THR A 9 15.136 -4.839 -1.422 1.00 0.00 O ATOM 257 CG2 THR A 9 13.744 -3.325 -2.690 1.00 0.00 C ATOM 0 H THR A 9 13.329 -6.290 -0.972 1.00 0.00 H new ATOM 0 HA THR A 9 12.846 -5.508 -3.772 1.00 0.00 H new ATOM 0 HB THR A 9 15.257 -4.608 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.664 -4.045 -1.195 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.435 -2.511 -2.473 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.288 -3.163 -3.667 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.967 -3.354 -1.927 1.00 0.00 H new ATOM 265 N ASN A 10 15.297 -7.463 -2.715 1.00 0.00 N ATOM 266 CA ASN A 10 16.120 -8.611 -3.060 1.00 0.00 C ATOM 267 C ASN A 10 16.641 -9.241 -1.782 1.00 0.00 C ATOM 268 O ASN A 10 16.555 -8.635 -0.719 1.00 0.00 O ATOM 269 CB ASN A 10 17.289 -8.181 -3.960 1.00 0.00 C ATOM 270 CG ASN A 10 18.087 -9.348 -4.517 1.00 0.00 C ATOM 271 OD1 ASN A 10 19.053 -9.805 -3.905 1.00 0.00 O ATOM 272 ND2 ASN A 10 17.691 -9.832 -5.683 1.00 0.00 N ATOM 0 H ASN A 10 15.519 -7.047 -1.810 1.00 0.00 H new ATOM 0 HA ASN A 10 15.522 -9.338 -3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 10 16.900 -7.589 -4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 10 17.956 -7.534 -3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 10 18.191 -10.613 -6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 10 16.885 -9.424 -6.157 1.00 0.00 H new ATOM 279 N TYR A 11 17.181 -10.441 -1.877 1.00 0.00 N ATOM 280 CA TYR A 11 17.691 -11.139 -0.707 1.00 0.00 C ATOM 281 C TYR A 11 18.962 -10.469 -0.186 1.00 0.00 C ATOM 282 O TYR A 11 19.269 -10.543 1.001 1.00 0.00 O ATOM 283 CB TYR A 11 17.943 -12.623 -1.018 1.00 0.00 C ATOM 284 CG TYR A 11 18.839 -12.874 -2.213 1.00 0.00 C ATOM 285 CD1 TYR A 11 18.308 -12.962 -3.495 1.00 0.00 C ATOM 286 CD2 TYR A 11 20.211 -13.033 -2.060 1.00 0.00 C ATOM 287 CE1 TYR A 11 19.117 -13.197 -4.586 1.00 0.00 C ATOM 288 CE2 TYR A 11 21.024 -13.269 -3.147 1.00 0.00 C ATOM 289 CZ TYR A 11 20.476 -13.350 -4.408 1.00 0.00 C ATOM 290 OH TYR A 11 21.287 -13.583 -5.490 1.00 0.00 O ATOM 0 H TYR A 11 17.279 -10.955 -2.752 1.00 0.00 H new ATOM 0 HA TYR A 11 16.934 -11.083 0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.388 -13.094 -0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 11 16.984 -13.112 -1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 11 17.244 -12.844 -3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 11 20.647 -12.971 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.689 -13.261 -5.575 1.00 0.00 H new ATOM 0 HE2 TYR A 11 22.088 -13.390 -3.011 1.00 0.00 H new ATOM 0 HH TYR A 11 22.216 -13.665 -5.190 1.00 0.00 H new ATOM 300 N LEU A 12 19.692 -9.803 -1.075 1.00 0.00 N ATOM 301 CA LEU A 12 20.912 -9.101 -0.686 1.00 0.00 C ATOM 302 C LEU A 12 20.591 -7.838 0.103 1.00 0.00 C ATOM 303 O LEU A 12 21.248 -7.526 1.097 1.00 0.00 O ATOM 304 CB LEU A 12 21.733 -8.738 -1.923 1.00 0.00 C ATOM 305 CG LEU A 12 22.301 -9.926 -2.701 1.00 0.00 C ATOM 306 CD1 LEU A 12 22.983 -9.450 -3.973 1.00 0.00 C ATOM 307 CD2 LEU A 12 23.282 -10.701 -1.837 1.00 0.00 C ATOM 0 H LEU A 12 19.462 -9.734 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 12 21.492 -9.769 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.107 -8.150 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.560 -8.097 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 12 21.478 -10.586 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.382 -10.308 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.260 -8.929 -4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.797 -8.772 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.679 -11.544 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.101 -10.046 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.771 -11.070 -0.948 1.00 0.00 H new ATOM 319 N THR A 13 19.578 -7.118 -0.343 1.00 0.00 N ATOM 320 CA THR A 13 19.178 -5.879 0.299 1.00 0.00 C ATOM 321 C THR A 13 18.212 -6.132 1.452 1.00 0.00 C ATOM 322 O THR A 13 18.143 -5.356 2.407 1.00 0.00 O ATOM 323 CB THR A 13 18.529 -4.938 -0.728 1.00 0.00 C ATOM 324 OG1 THR A 13 17.682 -5.694 -1.605 1.00 0.00 O ATOM 325 CG2 THR A 13 19.589 -4.216 -1.540 1.00 0.00 C ATOM 0 H THR A 13 19.013 -7.372 -1.153 1.00 0.00 H new ATOM 0 HA THR A 13 20.074 -5.411 0.706 1.00 0.00 H new ATOM 0 HB THR A 13 17.936 -4.196 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.743 -5.523 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.108 -3.555 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.220 -3.628 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.202 -4.946 -2.069 1.00 0.00 H new ATOM 333 N GLY A 14 17.474 -7.228 1.358 1.00 0.00 N ATOM 334 CA GLY A 14 16.505 -7.561 2.374 1.00 0.00 C ATOM 335 C GLY A 14 15.217 -6.792 2.189 1.00 0.00 C ATOM 336 O GLY A 14 14.582 -6.863 1.131 1.00 0.00 O ATOM 0 H GLY A 14 17.532 -7.895 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.298 -8.631 2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 14 16.920 -7.345 3.358 1.00 0.00 H new ATOM 340 N TRP A 15 14.841 -6.037 3.202 1.00 0.00 N ATOM 341 CA TRP A 15 13.621 -5.264 3.149 1.00 0.00 C ATOM 342 C TRP A 15 13.960 -3.776 3.153 1.00 0.00 C ATOM 343 O TRP A 15 14.936 -3.360 3.777 1.00 0.00 O ATOM 344 CB TRP A 15 12.713 -5.619 4.336 1.00 0.00 C ATOM 345 CG TRP A 15 12.979 -4.821 5.576 1.00 0.00 C ATOM 346 CD1 TRP A 15 13.995 -4.993 6.471 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.206 -3.717 6.052 1.00 0.00 C ATOM 348 NE1 TRP A 15 13.907 -4.052 7.468 1.00 0.00 N ATOM 349 CE2 TRP A 15 12.814 -3.258 7.233 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.061 -3.070 5.586 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.313 -2.178 7.955 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.562 -2.003 6.301 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.187 -1.564 7.475 1.00 0.00 C ATOM 0 H TRP A 15 15.365 -5.944 4.072 1.00 0.00 H new ATOM 0 HA TRP A 15 13.084 -5.500 2.231 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.674 -5.473 4.040 1.00 0.00 H new ATOM 0 HB3 TRP A 15 12.833 -6.678 4.566 1.00 0.00 H new ATOM 0 HD1 TRP A 15 14.756 -5.756 6.405 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.550 -3.959 8.255 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.574 -3.400 4.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 12.794 -1.837 8.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 9.675 -1.497 5.950 1.00 0.00 H new ATOM 0 HH2 TRP A 15 10.772 -0.724 8.013 1.00 0.00 H new ATOM 364 N GLN A 16 13.176 -2.982 2.443 1.00 0.00 N ATOM 365 CA GLN A 16 13.374 -1.541 2.441 1.00 0.00 C ATOM 366 C GLN A 16 12.058 -0.824 2.701 1.00 0.00 C ATOM 367 O GLN A 16 11.079 -1.025 1.979 1.00 0.00 O ATOM 368 CB GLN A 16 13.973 -1.086 1.103 1.00 0.00 C ATOM 369 CG GLN A 16 15.405 -1.557 0.879 1.00 0.00 C ATOM 370 CD GLN A 16 16.421 -0.790 1.707 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.112 -0.279 2.786 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.644 -0.704 1.203 1.00 0.00 N ATOM 0 H GLN A 16 12.402 -3.307 1.864 1.00 0.00 H new ATOM 0 HA GLN A 16 14.071 -1.287 3.239 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.347 -1.456 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.947 0.003 1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.474 -2.618 1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.654 -1.454 -0.177 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.858 -1.141 0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.371 -0.201 1.711 1.00 0.00 H new ATOM 381 N PRO A 17 12.010 -0.004 3.762 1.00 0.00 N ATOM 382 CA PRO A 17 10.855 0.843 4.052 1.00 0.00 C ATOM 383 C PRO A 17 10.681 1.942 3.011 1.00 0.00 C ATOM 384 O PRO A 17 11.530 2.826 2.871 1.00 0.00 O ATOM 385 CB PRO A 17 11.183 1.452 5.417 1.00 0.00 C ATOM 386 CG PRO A 17 12.666 1.382 5.521 1.00 0.00 C ATOM 387 CD PRO A 17 13.063 0.133 4.788 1.00 0.00 C ATOM 0 HA PRO A 17 9.923 0.278 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.830 2.481 5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.704 0.896 6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.132 2.262 5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.985 1.343 6.563 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.052 0.226 4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.094 -0.731 5.452 1.00 0.00 H new ATOM 395 N ARG A 18 9.588 1.878 2.275 1.00 0.00 N ATOM 396 CA ARG A 18 9.295 2.877 1.260 1.00 0.00 C ATOM 397 C ARG A 18 8.088 3.697 1.666 1.00 0.00 C ATOM 398 O ARG A 18 7.233 3.217 2.408 1.00 0.00 O ATOM 399 CB ARG A 18 9.061 2.216 -0.097 1.00 0.00 C ATOM 400 CG ARG A 18 10.345 1.794 -0.787 1.00 0.00 C ATOM 401 CD ARG A 18 11.278 2.979 -0.975 1.00 0.00 C ATOM 402 NE ARG A 18 12.475 2.631 -1.739 1.00 0.00 N ATOM 403 CZ ARG A 18 13.448 3.494 -2.019 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.390 4.733 -1.547 1.00 0.00 N ATOM 405 NH2 ARG A 18 14.481 3.120 -2.764 1.00 0.00 N ATOM 0 H ARG A 18 8.885 1.143 2.360 1.00 0.00 H new ATOM 0 HA ARG A 18 10.155 3.541 1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.424 1.342 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.520 2.908 -0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.843 1.025 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.113 1.352 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.744 3.780 -1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.573 3.364 0.001 1.00 0.00 H new ATOM 0 HE ARG A 18 12.569 1.673 -2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.600 5.023 -0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.135 5.396 -1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 18 14.531 2.167 -3.125 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.224 3.785 -2.976 1.00 0.00 H new ATOM 419 N TRP A 19 8.011 4.920 1.165 1.00 0.00 N ATOM 420 CA TRP A 19 6.962 5.837 1.570 1.00 0.00 C ATOM 421 C TRP A 19 5.793 5.742 0.607 1.00 0.00 C ATOM 422 O TRP A 19 5.966 5.829 -0.608 1.00 0.00 O ATOM 423 CB TRP A 19 7.501 7.271 1.621 1.00 0.00 C ATOM 424 CG TRP A 19 6.549 8.254 2.235 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.615 9.010 1.588 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.443 8.589 3.623 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.930 9.786 2.489 1.00 0.00 N ATOM 428 CE2 TRP A 19 5.421 9.548 3.743 1.00 0.00 C ATOM 429 CE3 TRP A 19 7.113 8.171 4.775 1.00 0.00 C ATOM 430 CZ2 TRP A 19 5.052 10.093 4.970 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.746 8.711 5.992 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.725 9.664 6.081 1.00 0.00 C ATOM 0 H TRP A 19 8.663 5.299 0.478 1.00 0.00 H new ATOM 0 HA TRP A 19 6.617 5.564 2.567 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.432 7.279 2.187 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.741 7.595 0.608 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.440 8.999 0.522 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.177 10.435 2.261 1.00 0.00 H new ATOM 0 HE3 TRP A 19 7.904 7.438 4.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.263 10.827 5.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.255 8.393 6.890 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.463 10.069 7.047 1.00 0.00 H new ATOM 443 N PHE A 20 4.610 5.539 1.156 1.00 0.00 N ATOM 444 CA PHE A 20 3.406 5.416 0.356 1.00 0.00 C ATOM 445 C PHE A 20 2.330 6.342 0.898 1.00 0.00 C ATOM 446 O PHE A 20 2.250 6.569 2.106 1.00 0.00 O ATOM 447 CB PHE A 20 2.882 3.974 0.371 1.00 0.00 C ATOM 448 CG PHE A 20 3.811 2.955 -0.240 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.754 2.301 0.537 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.732 2.645 -1.589 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.597 1.359 -0.019 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.574 1.701 -2.150 1.00 0.00 C ATOM 453 CZ PHE A 20 5.508 1.060 -1.364 1.00 0.00 C ATOM 0 H PHE A 20 4.457 5.455 2.161 1.00 0.00 H new ATOM 0 HA PHE A 20 3.652 5.691 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.679 3.687 1.403 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.931 3.943 -0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.830 2.531 1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.004 3.147 -2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.326 0.856 0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.500 1.467 -3.202 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.169 0.325 -1.800 1.00 0.00 H new ATOM 463 N VAL A 21 1.516 6.891 0.015 1.00 0.00 N ATOM 464 CA VAL A 21 0.384 7.696 0.435 1.00 0.00 C ATOM 465 C VAL A 21 -0.859 7.295 -0.344 1.00 0.00 C ATOM 466 O VAL A 21 -0.799 7.045 -1.551 1.00 0.00 O ATOM 467 CB VAL A 21 0.628 9.224 0.288 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.839 9.671 1.097 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.773 9.632 -1.169 1.00 0.00 C ATOM 0 H VAL A 21 1.617 6.794 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 21 0.242 7.501 1.498 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.251 9.729 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.983 10.744 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.676 9.446 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.726 9.143 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.942 10.707 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.618 9.106 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.138 9.376 -1.711 1.00 0.00 H new ATOM 479 N LEU A 22 -1.971 7.178 0.358 1.00 0.00 N ATOM 480 CA LEU A 22 -3.238 6.896 -0.283 1.00 0.00 C ATOM 481 C LEU A 22 -4.013 8.196 -0.354 1.00 0.00 C ATOM 482 O LEU A 22 -4.302 8.809 0.675 1.00 0.00 O ATOM 483 CB LEU A 22 -4.024 5.832 0.517 1.00 0.00 C ATOM 484 CG LEU A 22 -5.270 5.220 -0.162 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.420 6.215 -0.251 1.00 0.00 C ATOM 486 CD2 LEU A 22 -4.922 4.684 -1.541 1.00 0.00 C ATOM 0 H LEU A 22 -2.021 7.274 1.372 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.079 6.496 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.340 5.020 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.338 6.281 1.459 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.603 4.392 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.274 5.742 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.703 6.535 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.107 7.081 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.813 4.258 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.546 5.496 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.157 3.913 -1.449 1.00 0.00 H new ATOM 498 N ASP A 23 -4.330 8.619 -1.563 1.00 0.00 N ATOM 499 CA ASP A 23 -5.072 9.850 -1.757 1.00 0.00 C ATOM 500 C ASP A 23 -6.023 9.719 -2.937 1.00 0.00 C ATOM 501 O ASP A 23 -5.654 9.223 -3.999 1.00 0.00 O ATOM 502 CB ASP A 23 -4.124 11.047 -1.954 1.00 0.00 C ATOM 503 CG ASP A 23 -3.553 11.156 -3.361 1.00 0.00 C ATOM 504 OD1 ASP A 23 -2.502 10.541 -3.632 1.00 0.00 O ATOM 505 OD2 ASP A 23 -4.152 11.879 -4.191 1.00 0.00 O ATOM 0 H ASP A 23 -4.086 8.129 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.659 10.034 -0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.661 11.966 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.301 10.967 -1.244 1.00 0.00 H new ATOM 510 N ASN A 24 -7.271 10.112 -2.708 1.00 0.00 N ATOM 511 CA ASN A 24 -8.286 10.195 -3.756 1.00 0.00 C ATOM 512 C ASN A 24 -8.497 8.857 -4.459 1.00 0.00 C ATOM 513 O ASN A 24 -8.840 8.810 -5.644 1.00 0.00 O ATOM 514 CB ASN A 24 -7.911 11.272 -4.774 1.00 0.00 C ATOM 515 CG ASN A 24 -7.783 12.651 -4.151 1.00 0.00 C ATOM 516 OD1 ASN A 24 -8.770 13.372 -3.997 1.00 0.00 O ATOM 517 ND2 ASN A 24 -6.562 13.042 -3.814 1.00 0.00 N ATOM 0 H ASN A 24 -7.611 10.384 -1.785 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.227 10.464 -3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.967 11.004 -5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.666 11.302 -5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.416 13.968 -3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.769 12.417 -3.957 1.00 0.00 H new ATOM 524 N GLY A 25 -8.314 7.774 -3.718 1.00 0.00 N ATOM 525 CA GLY A 25 -8.475 6.444 -4.279 1.00 0.00 C ATOM 526 C GLY A 25 -7.249 5.966 -5.039 1.00 0.00 C ATOM 527 O GLY A 25 -7.291 4.934 -5.710 1.00 0.00 O ATOM 0 H GLY A 25 -8.055 7.791 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.694 5.741 -3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.335 6.440 -4.949 1.00 0.00 H new ATOM 531 N ILE A 26 -6.161 6.716 -4.953 1.00 0.00 N ATOM 532 CA ILE A 26 -4.920 6.341 -5.619 1.00 0.00 C ATOM 533 C ILE A 26 -3.818 6.112 -4.591 1.00 0.00 C ATOM 534 O ILE A 26 -3.656 6.897 -3.659 1.00 0.00 O ATOM 535 CB ILE A 26 -4.460 7.422 -6.630 1.00 0.00 C ATOM 536 CG1 ILE A 26 -5.583 7.764 -7.616 1.00 0.00 C ATOM 537 CG2 ILE A 26 -3.218 6.963 -7.384 1.00 0.00 C ATOM 538 CD1 ILE A 26 -6.142 6.566 -8.355 1.00 0.00 C ATOM 0 H ILE A 26 -6.111 7.589 -4.428 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.113 5.419 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.212 8.321 -6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.392 8.253 -7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.207 8.483 -8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.913 7.737 -8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.410 6.778 -6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.441 6.045 -7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.931 6.892 -9.032 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.347 6.088 -8.927 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.551 5.854 -7.638 1.00 0.00 H new ATOM 550 N LEU A 27 -3.076 5.024 -4.751 1.00 0.00 N ATOM 551 CA LEU A 27 -1.972 4.717 -3.855 1.00 0.00 C ATOM 552 C LEU A 27 -0.659 5.000 -4.578 1.00 0.00 C ATOM 553 O LEU A 27 -0.293 4.294 -5.508 1.00 0.00 O ATOM 554 CB LEU A 27 -2.066 3.241 -3.406 1.00 0.00 C ATOM 555 CG LEU A 27 -1.209 2.829 -2.197 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.264 2.708 -2.567 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.394 3.817 -1.054 1.00 0.00 C ATOM 0 H LEU A 27 -3.220 4.340 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.018 5.341 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.108 3.022 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.788 2.610 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.547 1.846 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.837 2.415 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.383 1.954 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.627 3.668 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.781 3.511 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.092 4.812 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.442 3.836 -0.756 1.00 0.00 H new ATOM 569 N SER A 28 0.045 6.035 -4.158 1.00 0.00 N ATOM 570 CA SER A 28 1.274 6.423 -4.829 1.00 0.00 C ATOM 571 C SER A 28 2.495 6.098 -3.973 1.00 0.00 C ATOM 572 O SER A 28 2.427 6.109 -2.741 1.00 0.00 O ATOM 573 CB SER A 28 1.231 7.911 -5.183 1.00 0.00 C ATOM 574 OG SER A 28 0.849 8.693 -4.070 1.00 0.00 O ATOM 0 H SER A 28 -0.210 6.619 -3.361 1.00 0.00 H new ATOM 0 HA SER A 28 1.360 5.849 -5.752 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.211 8.231 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.529 8.072 -6.001 1.00 0.00 H new ATOM 0 HG SER A 28 0.832 9.639 -4.325 1.00 0.00 H new ATOM 580 N TYR A 29 3.606 5.792 -4.635 1.00 0.00 N ATOM 581 CA TYR A 29 4.832 5.430 -3.941 1.00 0.00 C ATOM 582 C TYR A 29 5.884 6.518 -4.109 1.00 0.00 C ATOM 583 O TYR A 29 5.957 7.173 -5.153 1.00 0.00 O ATOM 584 CB TYR A 29 5.371 4.084 -4.452 1.00 0.00 C ATOM 585 CG TYR A 29 5.887 4.098 -5.880 1.00 0.00 C ATOM 586 CD1 TYR A 29 5.034 3.899 -6.961 1.00 0.00 C ATOM 587 CD2 TYR A 29 7.238 4.295 -6.141 1.00 0.00 C ATOM 588 CE1 TYR A 29 5.516 3.898 -8.258 1.00 0.00 C ATOM 589 CE2 TYR A 29 7.724 4.298 -7.433 1.00 0.00 C ATOM 590 CZ TYR A 29 6.861 4.098 -8.488 1.00 0.00 C ATOM 591 OH TYR A 29 7.347 4.098 -9.775 1.00 0.00 O ATOM 0 H TYR A 29 3.680 5.788 -5.652 1.00 0.00 H new ATOM 0 HA TYR A 29 4.603 5.329 -2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.177 3.759 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.578 3.340 -4.376 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.980 3.743 -6.785 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.920 4.449 -5.318 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.842 3.741 -9.087 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.777 4.456 -7.616 1.00 0.00 H new ATOM 0 HH TYR A 29 8.314 4.254 -9.759 1.00 0.00 H new ATOM 601 N TYR A 30 6.681 6.714 -3.070 1.00 0.00 N ATOM 602 CA TYR A 30 7.749 7.702 -3.087 1.00 0.00 C ATOM 603 C TYR A 30 9.037 7.105 -2.531 1.00 0.00 C ATOM 604 O TYR A 30 9.016 6.067 -1.861 1.00 0.00 O ATOM 605 CB TYR A 30 7.352 8.933 -2.266 1.00 0.00 C ATOM 606 CG TYR A 30 6.145 9.663 -2.809 1.00 0.00 C ATOM 607 CD1 TYR A 30 4.856 9.310 -2.422 1.00 0.00 C ATOM 608 CD2 TYR A 30 6.295 10.701 -3.715 1.00 0.00 C ATOM 609 CE1 TYR A 30 3.755 9.978 -2.923 1.00 0.00 C ATOM 610 CE2 TYR A 30 5.200 11.372 -4.218 1.00 0.00 C ATOM 611 CZ TYR A 30 3.933 11.006 -3.822 1.00 0.00 C ATOM 612 OH TYR A 30 2.842 11.668 -4.338 1.00 0.00 O ATOM 0 H TYR A 30 6.607 6.195 -2.195 1.00 0.00 H new ATOM 0 HA TYR A 30 7.917 8.005 -4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.148 8.624 -1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.196 9.622 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.714 8.502 -1.720 1.00 0.00 H new ATOM 0 HD2 TYR A 30 7.286 10.989 -4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.760 9.695 -2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.336 12.182 -4.920 1.00 0.00 H new ATOM 0 HH TYR A 30 3.145 12.366 -4.956 1.00 0.00 H new ATOM 622 N ASP A 31 10.152 7.761 -2.814 1.00 0.00 N ATOM 623 CA ASP A 31 11.446 7.328 -2.298 1.00 0.00 C ATOM 624 C ASP A 31 11.550 7.621 -0.809 1.00 0.00 C ATOM 625 O ASP A 31 12.081 6.819 -0.039 1.00 0.00 O ATOM 626 CB ASP A 31 12.579 8.031 -3.054 1.00 0.00 C ATOM 627 CG ASP A 31 13.921 7.930 -2.345 1.00 0.00 C ATOM 628 OD1 ASP A 31 14.620 6.903 -2.513 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.295 8.892 -1.638 1.00 0.00 O ATOM 0 H ASP A 31 10.189 8.596 -3.398 1.00 0.00 H new ATOM 0 HA ASP A 31 11.536 6.252 -2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.667 7.597 -4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.323 9.082 -3.186 1.00 0.00 H new ATOM 634 N SER A 32 10.999 8.753 -0.411 1.00 0.00 N ATOM 635 CA SER A 32 11.058 9.200 0.966 1.00 0.00 C ATOM 636 C SER A 32 9.979 10.248 1.218 1.00 0.00 C ATOM 637 O SER A 32 9.187 10.540 0.319 1.00 0.00 O ATOM 638 CB SER A 32 12.451 9.757 1.269 1.00 0.00 C ATOM 639 OG SER A 32 12.943 10.516 0.175 1.00 0.00 O ATOM 0 H SER A 32 10.499 9.387 -1.034 1.00 0.00 H new ATOM 0 HA SER A 32 10.874 8.357 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.411 10.382 2.161 1.00 0.00 H new ATOM 0 HB3 SER A 32 13.136 8.937 1.485 1.00 0.00 H new ATOM 0 HG SER A 32 13.429 9.927 -0.439 1.00 0.00 H new ATOM 645 N GLN A 33 9.942 10.810 2.420 1.00 0.00 N ATOM 646 CA GLN A 33 8.910 11.781 2.774 1.00 0.00 C ATOM 647 C GLN A 33 9.016 13.047 1.924 1.00 0.00 C ATOM 648 O GLN A 33 8.020 13.516 1.374 1.00 0.00 O ATOM 649 CB GLN A 33 8.987 12.142 4.260 1.00 0.00 C ATOM 650 CG GLN A 33 7.989 13.217 4.671 1.00 0.00 C ATOM 651 CD GLN A 33 7.985 13.496 6.161 1.00 0.00 C ATOM 652 OE1 GLN A 33 7.726 14.619 6.590 1.00 0.00 O ATOM 653 NE2 GLN A 33 8.258 12.477 6.961 1.00 0.00 N ATOM 0 H GLN A 33 10.611 10.612 3.164 1.00 0.00 H new ATOM 0 HA GLN A 33 7.945 11.315 2.573 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.810 11.246 4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.996 12.484 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.219 14.139 4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.989 12.911 4.363 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.468 11.560 6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.258 12.609 7.972 1.00 0.00 H new ATOM 662 N ASP A 34 10.221 13.590 1.806 1.00 0.00 N ATOM 663 CA ASP A 34 10.419 14.832 1.062 1.00 0.00 C ATOM 664 C ASP A 34 10.263 14.591 -0.437 1.00 0.00 C ATOM 665 O ASP A 34 10.002 15.517 -1.204 1.00 0.00 O ATOM 666 CB ASP A 34 11.792 15.436 1.364 1.00 0.00 C ATOM 667 CG ASP A 34 11.945 16.848 0.821 1.00 0.00 C ATOM 668 OD1 ASP A 34 11.580 17.808 1.535 1.00 0.00 O ATOM 669 OD2 ASP A 34 12.428 17.013 -0.315 1.00 0.00 O ATOM 0 H ASP A 34 11.070 13.196 2.211 1.00 0.00 H new ATOM 0 HA ASP A 34 9.656 15.542 1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.950 15.447 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.566 14.800 0.935 1.00 0.00 H new ATOM 674 N ASP A 35 10.380 13.326 -0.845 1.00 0.00 N ATOM 675 CA ASP A 35 10.245 12.958 -2.257 1.00 0.00 C ATOM 676 C ASP A 35 8.804 13.155 -2.718 1.00 0.00 C ATOM 677 O ASP A 35 8.525 13.248 -3.915 1.00 0.00 O ATOM 678 CB ASP A 35 10.691 11.510 -2.491 1.00 0.00 C ATOM 679 CG ASP A 35 10.619 11.095 -3.953 1.00 0.00 C ATOM 680 OD1 ASP A 35 11.252 11.761 -4.801 1.00 0.00 O ATOM 681 OD2 ASP A 35 9.934 10.096 -4.257 1.00 0.00 O ATOM 0 H ASP A 35 10.567 12.541 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 35 10.893 13.609 -2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.714 11.389 -2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.065 10.843 -1.898 1.00 0.00 H new ATOM 686 N VAL A 36 7.892 13.240 -1.754 1.00 0.00 N ATOM 687 CA VAL A 36 6.497 13.551 -2.040 1.00 0.00 C ATOM 688 C VAL A 36 6.394 14.926 -2.685 1.00 0.00 C ATOM 689 O VAL A 36 5.654 15.123 -3.648 1.00 0.00 O ATOM 690 CB VAL A 36 5.629 13.524 -0.762 1.00 0.00 C ATOM 691 CG1 VAL A 36 4.203 13.961 -1.063 1.00 0.00 C ATOM 692 CG2 VAL A 36 5.639 12.138 -0.141 1.00 0.00 C ATOM 0 H VAL A 36 8.096 13.097 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 36 6.124 12.786 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 36 6.056 14.228 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.613 13.933 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.210 14.976 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.763 13.287 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.023 12.138 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.241 11.417 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.661 11.864 0.120 1.00 0.00 H new ATOM 782 N SER A 43 2.205 5.859 -9.739 1.00 0.00 N ATOM 783 CA SER A 43 1.095 5.688 -8.816 1.00 0.00 C ATOM 784 C SER A 43 0.384 4.371 -9.085 1.00 0.00 C ATOM 785 O SER A 43 0.443 3.834 -10.188 1.00 0.00 O ATOM 786 CB SER A 43 0.109 6.857 -8.937 1.00 0.00 C ATOM 787 OG SER A 43 0.779 8.100 -8.809 1.00 0.00 O ATOM 0 HA SER A 43 1.490 5.673 -7.800 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.399 6.811 -9.900 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.658 6.772 -8.167 1.00 0.00 H new ATOM 0 HG SER A 43 1.687 8.021 -9.170 1.00 0.00 H new ATOM 793 N ILE A 44 -0.293 3.864 -8.072 1.00 0.00 N ATOM 794 CA ILE A 44 -1.029 2.624 -8.190 1.00 0.00 C ATOM 795 C ILE A 44 -2.522 2.914 -8.143 1.00 0.00 C ATOM 796 O ILE A 44 -3.040 3.477 -7.176 1.00 0.00 O ATOM 797 CB ILE A 44 -0.645 1.634 -7.065 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.835 1.257 -7.172 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.517 0.389 -7.118 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.321 0.369 -6.046 1.00 0.00 C ATOM 0 H ILE A 44 -0.347 4.298 -7.151 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.774 2.161 -9.143 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.812 2.124 -6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.003 0.749 -8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.433 2.168 -7.188 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.228 -0.292 -6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.562 0.672 -6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.386 -0.106 -8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.378 0.144 -6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.186 0.882 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.750 -0.559 -6.042 1.00 0.00 H new ATOM 812 N LYS A 45 -3.199 2.541 -9.209 1.00 0.00 N ATOM 813 CA LYS A 45 -4.615 2.816 -9.356 1.00 0.00 C ATOM 814 C LYS A 45 -5.439 1.748 -8.653 1.00 0.00 C ATOM 815 O LYS A 45 -5.582 0.640 -9.154 1.00 0.00 O ATOM 816 CB LYS A 45 -4.971 2.896 -10.847 1.00 0.00 C ATOM 817 CG LYS A 45 -6.428 2.599 -11.152 1.00 0.00 C ATOM 818 CD LYS A 45 -6.755 2.830 -12.613 1.00 0.00 C ATOM 819 CE LYS A 45 -6.512 4.277 -12.991 1.00 0.00 C ATOM 820 NZ LYS A 45 -7.149 4.648 -14.281 1.00 0.00 N ATOM 0 H LYS A 45 -2.786 2.040 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.847 3.774 -8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.730 3.894 -11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.345 2.194 -11.397 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.651 1.565 -10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.065 3.230 -10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.143 2.178 -13.236 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.796 2.568 -12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.896 4.924 -12.202 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.439 4.456 -13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.951 5.647 -14.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.765 4.052 -15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.177 4.505 -14.214 1.00 0.00 H new ATOM 834 N MET A 46 -5.988 2.089 -7.493 1.00 0.00 N ATOM 835 CA MET A 46 -6.753 1.130 -6.697 1.00 0.00 C ATOM 836 C MET A 46 -7.945 0.583 -7.472 1.00 0.00 C ATOM 837 O MET A 46 -8.400 -0.528 -7.231 1.00 0.00 O ATOM 838 CB MET A 46 -7.237 1.767 -5.400 1.00 0.00 C ATOM 839 CG MET A 46 -6.103 2.236 -4.501 1.00 0.00 C ATOM 840 SD MET A 46 -4.891 0.946 -4.169 1.00 0.00 S ATOM 841 CE MET A 46 -5.895 -0.205 -3.245 1.00 0.00 C ATOM 0 H MET A 46 -5.919 3.020 -7.081 1.00 0.00 H new ATOM 0 HA MET A 46 -6.084 0.302 -6.463 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.878 2.616 -5.637 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.849 1.047 -4.856 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.604 3.085 -4.968 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.517 2.590 -3.557 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.371 -0.495 -2.334 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.842 0.267 -2.984 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.085 -1.090 -3.852 1.00 0.00 H new ATOM 851 N ALA A 47 -8.437 1.372 -8.414 1.00 0.00 N ATOM 852 CA ALA A 47 -9.563 0.969 -9.252 1.00 0.00 C ATOM 853 C ALA A 47 -9.191 -0.177 -10.198 1.00 0.00 C ATOM 854 O ALA A 47 -10.066 -0.815 -10.780 1.00 0.00 O ATOM 855 CB ALA A 47 -10.076 2.163 -10.043 1.00 0.00 C ATOM 0 H ALA A 47 -8.073 2.302 -8.621 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.352 0.604 -8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.916 1.854 -10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.402 2.942 -9.355 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.278 2.550 -10.677 1.00 0.00 H new ATOM 861 N VAL A 48 -7.897 -0.421 -10.370 1.00 0.00 N ATOM 862 CA VAL A 48 -7.432 -1.501 -11.231 1.00 0.00 C ATOM 863 C VAL A 48 -6.492 -2.431 -10.459 1.00 0.00 C ATOM 864 O VAL A 48 -6.024 -3.445 -10.977 1.00 0.00 O ATOM 865 CB VAL A 48 -6.724 -0.936 -12.487 1.00 0.00 C ATOM 866 CG1 VAL A 48 -5.343 -0.400 -12.156 1.00 0.00 C ATOM 867 CG2 VAL A 48 -6.643 -1.971 -13.587 1.00 0.00 C ATOM 0 H VAL A 48 -7.152 0.114 -9.925 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.299 -2.075 -11.558 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.329 -0.104 -12.848 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.877 -0.012 -13.062 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.430 0.400 -11.421 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.729 -1.203 -11.747 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.141 -1.542 -14.454 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.081 -2.835 -13.233 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.649 -2.283 -13.868 1.00 0.00 H new ATOM 877 N CYS A 49 -6.231 -2.079 -9.207 1.00 0.00 N ATOM 878 CA CYS A 49 -5.298 -2.819 -8.380 1.00 0.00 C ATOM 879 C CYS A 49 -5.987 -3.308 -7.119 1.00 0.00 C ATOM 880 O CYS A 49 -6.591 -2.527 -6.389 1.00 0.00 O ATOM 881 CB CYS A 49 -4.127 -1.923 -8.000 1.00 0.00 C ATOM 882 SG CYS A 49 -3.366 -1.082 -9.403 1.00 0.00 S ATOM 0 H CYS A 49 -6.658 -1.278 -8.742 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.935 -3.678 -8.944 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.471 -1.176 -7.284 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.371 -2.524 -7.495 1.00 0.00 H new ATOM 0 HG CYS A 49 -4.116 -0.086 -9.771 1.00 0.00 H new ATOM 888 N GLU A 50 -5.871 -4.589 -6.852 1.00 0.00 N ATOM 889 CA GLU A 50 -6.496 -5.163 -5.685 1.00 0.00 C ATOM 890 C GLU A 50 -5.578 -5.067 -4.483 1.00 0.00 C ATOM 891 O GLU A 50 -4.408 -5.442 -4.541 1.00 0.00 O ATOM 892 CB GLU A 50 -6.867 -6.626 -5.932 1.00 0.00 C ATOM 893 CG GLU A 50 -8.180 -6.810 -6.671 1.00 0.00 C ATOM 894 CD GLU A 50 -9.347 -6.796 -5.717 1.00 0.00 C ATOM 895 OE1 GLU A 50 -9.897 -5.714 -5.450 1.00 0.00 O ATOM 896 OE2 GLU A 50 -9.682 -7.871 -5.181 1.00 0.00 O ATOM 0 H GLU A 50 -5.350 -5.251 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.405 -4.597 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.070 -7.102 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.925 -7.143 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.300 -6.016 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.164 -7.753 -7.217 1.00 0.00 H new ATOM 903 N ILE A 51 -6.121 -4.543 -3.404 1.00 0.00 N ATOM 904 CA ILE A 51 -5.459 -4.591 -2.121 1.00 0.00 C ATOM 905 C ILE A 51 -6.044 -5.753 -1.357 1.00 0.00 C ATOM 906 O ILE A 51 -7.262 -5.846 -1.173 1.00 0.00 O ATOM 907 CB ILE A 51 -5.624 -3.272 -1.325 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.219 -3.433 0.152 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.056 -2.758 -1.423 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.737 -3.660 0.382 1.00 0.00 C ATOM 0 H ILE A 51 -7.027 -4.075 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.387 -4.720 -2.270 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.951 -2.542 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.525 -2.540 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.771 -4.271 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.149 -1.831 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.305 -2.572 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.739 -3.503 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.546 -3.762 1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.424 -4.570 -0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.174 -2.812 -0.008 1.00 0.00 H new ATOM 922 N LYS A 52 -5.193 -6.665 -0.958 1.00 0.00 N ATOM 923 CA LYS A 52 -5.669 -7.889 -0.359 1.00 0.00 C ATOM 924 C LYS A 52 -5.915 -7.672 1.124 1.00 0.00 C ATOM 925 O LYS A 52 -4.979 -7.551 1.913 1.00 0.00 O ATOM 926 CB LYS A 52 -4.656 -9.012 -0.582 1.00 0.00 C ATOM 927 CG LYS A 52 -4.238 -9.190 -2.042 1.00 0.00 C ATOM 928 CD LYS A 52 -5.386 -9.649 -2.931 1.00 0.00 C ATOM 929 CE LYS A 52 -4.915 -10.673 -3.952 1.00 0.00 C ATOM 930 NZ LYS A 52 -4.284 -11.857 -3.317 1.00 0.00 N ATOM 0 H LYS A 52 -4.179 -6.587 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.609 -8.179 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.768 -8.811 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.081 -9.948 -0.219 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.846 -8.246 -2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.428 -9.917 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.175 -10.081 -2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.817 -8.790 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.763 -10.997 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.202 -10.204 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.643 -12.724 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.252 -11.807 -3.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.514 -11.871 -2.303 1.00 0.00 H new ATOM 944 N VAL A 53 -7.192 -7.617 1.478 1.00 0.00 N ATOM 945 CA VAL A 53 -7.621 -7.425 2.853 1.00 0.00 C ATOM 946 C VAL A 53 -8.753 -8.395 3.159 1.00 0.00 C ATOM 947 O VAL A 53 -9.840 -8.289 2.590 1.00 0.00 O ATOM 948 CB VAL A 53 -8.087 -5.963 3.110 1.00 0.00 C ATOM 949 CG1 VAL A 53 -8.644 -5.802 4.520 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.934 -4.991 2.888 1.00 0.00 C ATOM 0 H VAL A 53 -7.962 -7.705 0.815 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.773 -7.618 3.510 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.884 -5.736 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.961 -4.770 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.497 -6.467 4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.872 -6.054 5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.276 -3.973 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.120 -5.229 3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.580 -5.075 1.861 1.00 0.00 H new ATOM 1025 N THR A 59 -0.110 -7.221 10.061 1.00 0.00 N ATOM 1026 CA THR A 59 0.639 -6.611 8.957 1.00 0.00 C ATOM 1027 C THR A 59 0.709 -7.526 7.729 1.00 0.00 C ATOM 1028 O THR A 59 1.789 -7.932 7.299 1.00 0.00 O ATOM 1029 CB THR A 59 2.065 -6.190 9.387 1.00 0.00 C ATOM 1030 OG1 THR A 59 2.819 -7.311 9.869 1.00 0.00 O ATOM 1031 CG2 THR A 59 2.009 -5.129 10.469 1.00 0.00 C ATOM 0 HA THR A 59 0.086 -5.714 8.679 1.00 0.00 H new ATOM 0 HB THR A 59 2.560 -5.785 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.842 -8.010 9.182 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.022 -4.848 10.756 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.482 -4.252 10.092 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.482 -5.523 11.338 1.00 0.00 H new ATOM 1039 N ARG A 60 -0.450 -7.838 7.164 1.00 0.00 N ATOM 1040 CA ARG A 60 -0.524 -8.748 6.028 1.00 0.00 C ATOM 1041 C ARG A 60 -1.394 -8.165 4.922 1.00 0.00 C ATOM 1042 O ARG A 60 -2.618 -8.303 4.954 1.00 0.00 O ATOM 1043 CB ARG A 60 -1.106 -10.097 6.463 1.00 0.00 C ATOM 1044 CG ARG A 60 -0.339 -10.778 7.583 1.00 0.00 C ATOM 1045 CD ARG A 60 1.077 -11.125 7.162 1.00 0.00 C ATOM 1046 NE ARG A 60 1.733 -12.000 8.131 1.00 0.00 N ATOM 1047 CZ ARG A 60 2.996 -11.860 8.525 1.00 0.00 C ATOM 1048 NH1 ARG A 60 3.727 -10.840 8.085 1.00 0.00 N ATOM 1049 NH2 ARG A 60 3.530 -12.726 9.374 1.00 0.00 N ATOM 0 H ARG A 60 -1.351 -7.475 7.473 1.00 0.00 H new ATOM 0 HA ARG A 60 0.488 -8.890 5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.137 -9.948 6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.133 -10.763 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.310 -10.124 8.454 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.862 -11.686 7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.057 -11.613 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.657 -10.209 7.048 1.00 0.00 H new ATOM 0 HE ARG A 60 1.189 -12.765 8.530 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.320 -10.160 7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.695 -10.737 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.972 -13.503 9.728 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.499 -12.615 9.674 1.00 0.00 H new ATOM 1063 N MET A 61 -0.775 -7.492 3.960 1.00 0.00 N ATOM 1064 CA MET A 61 -1.508 -6.974 2.810 1.00 0.00 C ATOM 1065 C MET A 61 -0.702 -7.174 1.534 1.00 0.00 C ATOM 1066 O MET A 61 0.528 -7.252 1.569 1.00 0.00 O ATOM 1067 CB MET A 61 -1.849 -5.488 2.981 1.00 0.00 C ATOM 1068 CG MET A 61 -2.374 -5.134 4.357 1.00 0.00 C ATOM 1069 SD MET A 61 -1.125 -4.369 5.412 1.00 0.00 S ATOM 1070 CE MET A 61 -1.098 -2.723 4.707 1.00 0.00 C ATOM 0 H MET A 61 0.225 -7.293 3.952 1.00 0.00 H new ATOM 0 HA MET A 61 -2.443 -7.531 2.739 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.957 -4.895 2.779 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.593 -5.208 2.236 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.220 -4.455 4.253 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.747 -6.037 4.841 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.588 -2.043 5.390 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.570 -2.744 3.754 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.120 -2.379 4.548 1.00 0.00 H new ATOM 1080 N GLU A 62 -1.402 -7.262 0.416 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.776 -7.456 -0.878 1.00 0.00 C ATOM 1082 C GLU A 62 -1.427 -6.548 -1.913 1.00 0.00 C ATOM 1083 O GLU A 62 -2.642 -6.356 -1.899 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.897 -8.925 -1.301 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.575 -9.178 -2.765 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.653 -10.646 -3.134 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -1.762 -11.216 -3.089 1.00 0.00 O ATOM 1088 OE2 GLU A 62 0.397 -11.234 -3.467 1.00 0.00 O ATOM 0 H GLU A 62 -2.420 -7.201 0.381 1.00 0.00 H new ATOM 0 HA GLU A 62 0.281 -7.199 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.229 -9.526 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.912 -9.268 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.268 -8.613 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.426 -8.805 -2.983 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.615 -5.972 -2.785 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.118 -5.160 -3.880 1.00 0.00 C ATOM 1097 C LEU A 63 -0.941 -5.918 -5.186 1.00 0.00 C ATOM 1098 O LEU A 63 0.176 -6.285 -5.562 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.378 -3.816 -3.949 1.00 0.00 C ATOM 1100 CG LEU A 63 -0.946 -2.679 -3.084 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.246 -2.142 -3.674 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.164 -3.143 -1.653 1.00 0.00 C ATOM 0 H LEU A 63 0.401 -6.053 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.175 -4.956 -3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.659 -3.982 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.369 -3.484 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.215 -1.870 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.627 -1.339 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.059 -1.758 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.982 -2.945 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.566 -2.321 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.868 -3.975 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.214 -3.466 -1.227 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.038 -6.154 -5.872 1.00 0.00 N ATOM 1115 CA ILE A 64 -2.001 -6.883 -7.124 1.00 0.00 C ATOM 1116 C ILE A 64 -2.618 -6.055 -8.250 1.00 0.00 C ATOM 1117 O ILE A 64 -3.804 -5.734 -8.234 1.00 0.00 O ATOM 1118 CB ILE A 64 -2.698 -8.266 -6.980 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -3.192 -8.813 -8.328 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -3.836 -8.199 -5.976 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -2.085 -9.214 -9.275 1.00 0.00 C ATOM 0 H ILE A 64 -2.969 -5.852 -5.585 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.959 -7.068 -7.385 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.947 -8.962 -6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.830 -9.678 -8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.811 -8.056 -8.810 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.307 -9.179 -5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.446 -7.901 -5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.573 -7.469 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.518 -9.589 -10.202 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.459 -8.348 -9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.478 -9.994 -8.816 1.00 0.00 H new ATOM 1133 N ILE A 65 -1.780 -5.712 -9.219 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.175 -4.922 -10.367 1.00 0.00 C ATOM 1135 C ILE A 65 -1.692 -5.620 -11.640 1.00 0.00 C ATOM 1136 O ILE A 65 -0.495 -5.858 -11.806 1.00 0.00 O ATOM 1137 CB ILE A 65 -1.591 -3.479 -10.253 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -1.398 -2.803 -11.618 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.269 -3.495 -9.497 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -2.640 -2.712 -12.473 1.00 0.00 C ATOM 0 H ILE A 65 -0.796 -5.980 -9.226 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.261 -4.835 -10.405 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.325 -2.893 -9.701 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.014 -1.796 -11.456 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.635 -3.350 -12.172 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.123 -2.480 -9.428 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.428 -3.892 -8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.446 -4.124 -10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.398 -2.219 -13.415 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.017 -3.715 -12.675 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.402 -2.137 -11.948 1.00 0.00 H new ATOM 1152 N PRO A 66 -2.622 -5.988 -12.537 1.00 0.00 N ATOM 1153 CA PRO A 66 -2.286 -6.682 -13.786 1.00 0.00 C ATOM 1154 C PRO A 66 -1.277 -5.899 -14.620 1.00 0.00 C ATOM 1155 O PRO A 66 -1.484 -4.723 -14.918 1.00 0.00 O ATOM 1156 CB PRO A 66 -3.632 -6.783 -14.513 1.00 0.00 C ATOM 1157 CG PRO A 66 -4.651 -6.688 -13.432 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.073 -5.747 -12.417 1.00 0.00 C ATOM 0 HA PRO A 66 -1.818 -7.650 -13.607 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.750 -5.980 -15.241 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.719 -7.723 -15.058 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.599 -6.314 -13.818 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.849 -7.666 -12.993 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.330 -4.710 -12.634 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.437 -5.962 -11.412 1.00 0.00 H new ATOM 1166 N GLY A 67 -0.171 -6.544 -14.961 1.00 0.00 N ATOM 1167 CA GLY A 67 0.858 -5.889 -15.738 1.00 0.00 C ATOM 1168 C GLY A 67 2.149 -5.751 -14.964 1.00 0.00 C ATOM 1169 O GLY A 67 3.211 -6.144 -15.439 1.00 0.00 O ATOM 0 H GLY A 67 0.031 -7.512 -14.712 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.041 -6.457 -16.650 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.510 -4.902 -16.042 1.00 0.00 H new ATOM 1173 N GLU A 68 2.063 -5.193 -13.765 1.00 0.00 N ATOM 1174 CA GLU A 68 3.245 -5.008 -12.937 1.00 0.00 C ATOM 1175 C GLU A 68 3.209 -5.936 -11.726 1.00 0.00 C ATOM 1176 O GLU A 68 4.005 -6.869 -11.644 1.00 0.00 O ATOM 1177 CB GLU A 68 3.360 -3.549 -12.502 1.00 0.00 C ATOM 1178 CG GLU A 68 3.302 -2.586 -13.676 1.00 0.00 C ATOM 1179 CD GLU A 68 3.770 -1.189 -13.329 1.00 0.00 C ATOM 1180 OE1 GLU A 68 4.986 -0.920 -13.438 1.00 0.00 O ATOM 1181 OE2 GLU A 68 2.921 -0.353 -12.961 1.00 0.00 O ATOM 0 H GLU A 68 1.193 -4.863 -13.346 1.00 0.00 H new ATOM 0 HA GLU A 68 4.126 -5.263 -13.527 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.555 -3.316 -11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.298 -3.406 -11.965 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.916 -2.976 -14.488 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.278 -2.537 -14.046 1.00 0.00 H new ATOM 1188 N GLN A 69 2.277 -5.663 -10.808 1.00 0.00 N ATOM 1189 CA GLN A 69 2.008 -6.505 -9.628 1.00 0.00 C ATOM 1190 C GLN A 69 3.279 -6.890 -8.852 1.00 0.00 C ATOM 1191 O GLN A 69 4.317 -6.234 -8.967 1.00 0.00 O ATOM 1192 CB GLN A 69 1.197 -7.754 -10.025 1.00 0.00 C ATOM 1193 CG GLN A 69 1.948 -8.782 -10.864 1.00 0.00 C ATOM 1194 CD GLN A 69 1.027 -9.796 -11.510 1.00 0.00 C ATOM 1195 OE1 GLN A 69 1.384 -10.960 -11.679 1.00 0.00 O ATOM 1196 NE2 GLN A 69 -0.153 -9.350 -11.909 1.00 0.00 N ATOM 0 H GLN A 69 1.677 -4.840 -10.860 1.00 0.00 H new ATOM 0 HA GLN A 69 1.412 -5.900 -8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.843 -8.241 -9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.315 -7.433 -10.579 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.515 -8.267 -11.639 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.669 -9.302 -10.234 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.411 -8.376 -11.749 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.805 -9.980 -12.376 1.00 0.00 H new ATOM 1205 N HIS A 70 3.160 -7.936 -8.029 1.00 0.00 N ATOM 1206 CA HIS A 70 4.249 -8.403 -7.171 1.00 0.00 C ATOM 1207 C HIS A 70 4.595 -7.334 -6.131 1.00 0.00 C ATOM 1208 O HIS A 70 5.754 -6.939 -5.967 1.00 0.00 O ATOM 1209 CB HIS A 70 5.483 -8.791 -8.003 1.00 0.00 C ATOM 1210 CG HIS A 70 6.518 -9.565 -7.236 1.00 0.00 C ATOM 1211 ND1 HIS A 70 7.647 -8.987 -6.693 1.00 0.00 N ATOM 1212 CD2 HIS A 70 6.594 -10.884 -6.933 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.371 -9.915 -6.091 1.00 0.00 C ATOM 1214 NE2 HIS A 70 7.753 -11.072 -6.221 1.00 0.00 N ATOM 0 H HIS A 70 2.304 -8.483 -7.940 1.00 0.00 H new ATOM 0 HA HIS A 70 3.917 -9.299 -6.646 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.160 -9.385 -8.858 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.941 -7.885 -8.399 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.877 -11.645 -7.202 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.309 -9.753 -5.580 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.083 -11.964 -5.852 1.00 0.00 H new ATOM 1223 N PHE A 71 3.567 -6.857 -5.442 1.00 0.00 N ATOM 1224 CA PHE A 71 3.742 -5.897 -4.364 1.00 0.00 C ATOM 1225 C PHE A 71 3.238 -6.487 -3.055 1.00 0.00 C ATOM 1226 O PHE A 71 2.053 -6.790 -2.918 1.00 0.00 O ATOM 1227 CB PHE A 71 2.988 -4.593 -4.650 1.00 0.00 C ATOM 1228 CG PHE A 71 3.538 -3.790 -5.796 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.614 -2.940 -5.606 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.970 -3.875 -7.056 1.00 0.00 C ATOM 1231 CE1 PHE A 71 5.115 -2.189 -6.653 1.00 0.00 C ATOM 1232 CE2 PHE A 71 3.468 -3.128 -8.108 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.543 -2.284 -7.906 1.00 0.00 C ATOM 0 H PHE A 71 2.597 -7.122 -5.613 1.00 0.00 H new ATOM 0 HA PHE A 71 4.806 -5.674 -4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.945 -4.830 -4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.002 -3.976 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.067 -2.863 -4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.129 -4.532 -7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.954 -1.528 -6.491 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.017 -3.204 -9.086 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.935 -1.700 -8.726 1.00 0.00 H new ATOM 1243 N TYR A 72 4.135 -6.668 -2.102 1.00 0.00 N ATOM 1244 CA TYR A 72 3.742 -7.128 -0.782 1.00 0.00 C ATOM 1245 C TYR A 72 3.924 -5.992 0.211 1.00 0.00 C ATOM 1246 O TYR A 72 4.905 -5.253 0.130 1.00 0.00 O ATOM 1247 CB TYR A 72 4.569 -8.349 -0.358 1.00 0.00 C ATOM 1248 CG TYR A 72 3.965 -9.111 0.807 1.00 0.00 C ATOM 1249 CD1 TYR A 72 2.958 -10.040 0.592 1.00 0.00 C ATOM 1250 CD2 TYR A 72 4.396 -8.901 2.112 1.00 0.00 C ATOM 1251 CE1 TYR A 72 2.393 -10.739 1.642 1.00 0.00 C ATOM 1252 CE2 TYR A 72 3.837 -9.598 3.169 1.00 0.00 C ATOM 1253 CZ TYR A 72 2.837 -10.515 2.929 1.00 0.00 C ATOM 1254 OH TYR A 72 2.274 -11.206 3.980 1.00 0.00 O ATOM 0 H TYR A 72 5.135 -6.505 -2.216 1.00 0.00 H new ATOM 0 HA TYR A 72 2.695 -7.431 -0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.671 -9.022 -1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.573 -8.022 -0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.609 -10.221 -0.414 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.179 -8.183 2.304 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.608 -11.457 1.456 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.183 -9.424 4.177 1.00 0.00 H new ATOM 0 HH TYR A 72 2.701 -10.931 4.818 1.00 0.00 H new ATOM 1264 N MET A 73 2.981 -5.840 1.130 1.00 0.00 N ATOM 1265 CA MET A 73 3.054 -4.770 2.114 1.00 0.00 C ATOM 1266 C MET A 73 3.056 -5.320 3.532 1.00 0.00 C ATOM 1267 O MET A 73 2.293 -6.229 3.865 1.00 0.00 O ATOM 1268 CB MET A 73 1.869 -3.805 1.965 1.00 0.00 C ATOM 1269 CG MET A 73 2.085 -2.674 0.968 1.00 0.00 C ATOM 1270 SD MET A 73 0.701 -1.507 0.956 1.00 0.00 S ATOM 1271 CE MET A 73 1.367 -0.141 -0.001 1.00 0.00 C ATOM 0 H MET A 73 2.161 -6.440 1.215 1.00 0.00 H new ATOM 0 HA MET A 73 3.988 -4.237 1.933 1.00 0.00 H new ATOM 0 HB2 MET A 73 0.991 -4.375 1.661 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.646 -3.372 2.940 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.004 -2.143 1.215 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.216 -3.091 -0.030 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.659 0.687 0.006 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.310 0.185 0.438 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.537 -0.465 -1.028 1.00 0.00 H new ATOM 1281 N LYS A 74 3.919 -4.755 4.361 1.00 0.00 N ATOM 1282 CA LYS A 74 3.888 -4.999 5.792 1.00 0.00 C ATOM 1283 C LYS A 74 4.042 -3.674 6.517 1.00 0.00 C ATOM 1284 O LYS A 74 5.018 -2.950 6.310 1.00 0.00 O ATOM 1285 CB LYS A 74 4.989 -5.972 6.229 1.00 0.00 C ATOM 1286 CG LYS A 74 5.044 -6.168 7.737 1.00 0.00 C ATOM 1287 CD LYS A 74 6.278 -6.934 8.185 1.00 0.00 C ATOM 1288 CE LYS A 74 6.281 -7.111 9.698 1.00 0.00 C ATOM 1289 NZ LYS A 74 7.533 -7.734 10.196 1.00 0.00 N ATOM 0 H LYS A 74 4.657 -4.118 4.062 1.00 0.00 H new ATOM 0 HA LYS A 74 2.933 -5.460 6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.826 -6.937 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.953 -5.601 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.028 -5.194 8.226 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.152 -6.703 8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.303 -7.910 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.176 -6.400 7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.148 -6.140 10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.431 -7.728 9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.484 -7.832 11.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.649 -8.673 9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.344 -7.134 9.943 1.00 0.00 H new ATOM 1303 N ALA A 75 3.053 -3.347 7.329 1.00 0.00 N ATOM 1304 CA ALA A 75 3.059 -2.111 8.087 1.00 0.00 C ATOM 1305 C ALA A 75 3.952 -2.226 9.317 1.00 0.00 C ATOM 1306 O ALA A 75 4.535 -3.280 9.565 1.00 0.00 O ATOM 1307 CB ALA A 75 1.639 -1.750 8.486 1.00 0.00 C ATOM 0 H ALA A 75 2.228 -3.927 7.480 1.00 0.00 H new ATOM 0 HA ALA A 75 3.465 -1.318 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.646 -0.821 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.031 -1.622 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.219 -2.548 9.099 1.00 0.00 H new ATOM 1313 N VAL A 76 4.054 -1.144 10.080 1.00 0.00 N ATOM 1314 CA VAL A 76 4.869 -1.130 11.290 1.00 0.00 C ATOM 1315 C VAL A 76 4.399 -2.204 12.270 1.00 0.00 C ATOM 1316 O VAL A 76 5.177 -3.061 12.690 1.00 0.00 O ATOM 1317 CB VAL A 76 4.825 0.251 11.979 1.00 0.00 C ATOM 1318 CG1 VAL A 76 5.659 0.252 13.251 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.296 1.339 11.023 1.00 0.00 C ATOM 0 H VAL A 76 3.581 -0.262 9.882 1.00 0.00 H new ATOM 0 HA VAL A 76 5.897 -1.339 10.993 1.00 0.00 H new ATOM 0 HB VAL A 76 3.792 0.460 12.256 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.611 1.236 13.717 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.270 -0.496 13.942 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.695 0.016 13.007 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.258 2.306 11.525 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.320 1.131 10.711 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.647 1.360 10.147 1.00 0.00 H new ATOM 1329 N ASN A 77 3.122 -2.150 12.623 1.00 0.00 N ATOM 1330 CA ASN A 77 2.526 -3.154 13.494 1.00 0.00 C ATOM 1331 C ASN A 77 1.095 -3.454 13.051 1.00 0.00 C ATOM 1332 O ASN A 77 0.572 -2.774 12.168 1.00 0.00 O ATOM 1333 CB ASN A 77 2.549 -2.698 14.957 1.00 0.00 C ATOM 1334 CG ASN A 77 1.719 -1.453 15.208 1.00 0.00 C ATOM 1335 OD1 ASN A 77 0.514 -1.535 15.422 1.00 0.00 O ATOM 1336 ND2 ASN A 77 2.360 -0.295 15.208 1.00 0.00 N ATOM 0 H ASN A 77 2.478 -1.420 12.319 1.00 0.00 H new ATOM 0 HA ASN A 77 3.118 -4.066 13.417 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.180 -3.506 15.589 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.580 -2.506 15.255 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.851 0.570 15.390 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.363 -0.267 15.026 1.00 0.00 H new ATOM 1343 N ALA A 78 0.479 -4.475 13.641 1.00 0.00 N ATOM 1344 CA ALA A 78 -0.869 -4.916 13.257 1.00 0.00 C ATOM 1345 C ALA A 78 -1.862 -3.750 13.170 1.00 0.00 C ATOM 1346 O ALA A 78 -2.680 -3.692 12.246 1.00 0.00 O ATOM 1347 CB ALA A 78 -1.374 -5.953 14.247 1.00 0.00 C ATOM 0 H ALA A 78 0.894 -5.021 14.396 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.797 -5.355 12.262 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.374 -6.276 13.957 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.702 -6.811 14.250 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.409 -5.516 15.245 1.00 0.00 H new ATOM 1353 N ALA A 79 -1.787 -2.826 14.125 1.00 0.00 N ATOM 1354 CA ALA A 79 -2.656 -1.655 14.133 1.00 0.00 C ATOM 1355 C ALA A 79 -2.380 -0.755 12.934 1.00 0.00 C ATOM 1356 O ALA A 79 -3.305 -0.283 12.274 1.00 0.00 O ATOM 1357 CB ALA A 79 -2.469 -0.889 15.421 1.00 0.00 C ATOM 0 H ALA A 79 -1.131 -2.867 14.905 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.690 -1.993 14.063 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.120 -0.015 15.422 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.721 -1.530 16.266 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.431 -0.568 15.506 1.00 0.00 H new ATOM 1363 N GLU A 80 -1.100 -0.536 12.651 1.00 0.00 N ATOM 1364 CA GLU A 80 -0.691 0.254 11.495 1.00 0.00 C ATOM 1365 C GLU A 80 -1.190 -0.402 10.216 1.00 0.00 C ATOM 1366 O GLU A 80 -1.574 0.272 9.262 1.00 0.00 O ATOM 1367 CB GLU A 80 0.828 0.390 11.451 1.00 0.00 C ATOM 1368 CG GLU A 80 1.402 1.214 12.586 1.00 0.00 C ATOM 1369 CD GLU A 80 1.060 2.685 12.479 1.00 0.00 C ATOM 1370 OE1 GLU A 80 1.803 3.420 11.796 1.00 0.00 O ATOM 1371 OE2 GLU A 80 0.059 3.110 13.090 1.00 0.00 O ATOM 0 H GLU A 80 -0.326 -0.896 13.209 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.127 1.249 11.582 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.273 -0.605 11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.115 0.845 10.503 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.028 0.827 13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.486 1.098 12.600 1.00 0.00 H new ATOM 1378 N ARG A 81 -1.183 -1.732 10.213 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.744 -2.499 9.112 1.00 0.00 C ATOM 1380 C ARG A 81 -3.199 -2.114 8.899 1.00 0.00 C ATOM 1381 O ARG A 81 -3.620 -1.862 7.776 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.647 -3.998 9.400 1.00 0.00 C ATOM 1383 CG ARG A 81 -2.500 -4.850 8.471 1.00 0.00 C ATOM 1384 CD ARG A 81 -3.192 -5.966 9.233 1.00 0.00 C ATOM 1385 NE ARG A 81 -3.958 -5.453 10.372 1.00 0.00 N ATOM 1386 CZ ARG A 81 -5.229 -5.773 10.627 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -5.881 -6.622 9.842 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -5.846 -5.252 11.678 1.00 0.00 N ATOM 0 H ARG A 81 -0.793 -2.300 10.965 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.175 -2.276 8.210 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.606 -4.310 9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.950 -4.183 10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.245 -4.224 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.875 -5.275 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.858 -6.507 8.561 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.448 -6.680 9.587 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.490 -4.810 11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.411 -7.036 9.037 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.852 -6.861 10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.350 -4.606 12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.817 -5.497 11.872 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.952 -2.032 9.988 1.00 0.00 N ATOM 1403 CA GLN A 82 -5.375 -1.753 9.896 1.00 0.00 C ATOM 1404 C GLN A 82 -5.609 -0.331 9.413 1.00 0.00 C ATOM 1405 O GLN A 82 -6.582 -0.061 8.725 1.00 0.00 O ATOM 1406 CB GLN A 82 -6.077 -1.971 11.234 1.00 0.00 C ATOM 1407 CG GLN A 82 -7.589 -1.989 11.100 1.00 0.00 C ATOM 1408 CD GLN A 82 -8.281 -0.999 12.008 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -7.800 -0.681 13.097 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -9.420 -0.503 11.555 1.00 0.00 N ATOM 0 H GLN A 82 -3.602 -2.154 10.938 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.799 -2.450 9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.742 -2.914 11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -5.786 -1.181 11.926 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.858 -1.773 10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.955 -2.992 11.321 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.779 -0.797 10.646 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.940 0.173 12.114 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.710 0.574 9.776 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.793 1.955 9.318 1.00 0.00 C ATOM 1421 C ARG A 83 -4.693 2.024 7.795 1.00 0.00 C ATOM 1422 O ARG A 83 -5.447 2.749 7.143 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.707 2.797 9.986 1.00 0.00 C ATOM 1424 CG ARG A 83 -3.998 3.068 11.452 1.00 0.00 C ATOM 1425 CD ARG A 83 -2.923 3.914 12.110 1.00 0.00 C ATOM 1426 NE ARG A 83 -3.407 4.513 13.354 1.00 0.00 N ATOM 1427 CZ ARG A 83 -2.664 5.264 14.162 1.00 0.00 C ATOM 1428 NH1 ARG A 83 -1.348 5.330 13.998 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -3.230 5.901 15.180 1.00 0.00 N ATOM 0 H ARG A 83 -3.916 0.378 10.385 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.762 2.364 9.603 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.749 2.284 9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.611 3.745 9.457 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.959 3.574 11.541 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.086 2.120 11.983 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.048 3.298 12.317 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.605 4.700 11.425 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.377 4.344 13.619 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.900 4.803 13.248 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.785 5.908 14.622 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.233 5.814 15.342 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.661 6.477 15.801 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.777 1.246 7.230 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.688 1.111 5.780 1.00 0.00 C ATOM 1445 C TRP A 84 -4.926 0.407 5.242 1.00 0.00 C ATOM 1446 O TRP A 84 -5.455 0.775 4.198 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.417 0.363 5.371 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.191 1.205 5.532 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.315 1.198 6.576 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.716 2.196 4.616 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.659 2.147 6.380 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.437 2.767 5.181 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.157 2.659 3.373 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 1.149 3.781 4.553 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.443 3.660 2.745 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.699 4.212 3.336 1.00 0.00 C ATOM 0 H TRP A 84 -3.089 0.702 7.750 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.637 2.110 5.346 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.318 -0.539 5.974 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.503 0.044 4.332 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.377 0.542 7.432 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.423 2.355 7.023 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.040 2.241 2.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.027 4.214 5.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.771 4.023 1.782 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.236 4.994 2.820 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.393 -0.587 5.983 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.620 -1.305 5.648 1.00 0.00 C ATOM 1469 C LEU A 85 -7.822 -0.371 5.615 1.00 0.00 C ATOM 1470 O LEU A 85 -8.764 -0.596 4.869 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.870 -2.443 6.633 1.00 0.00 C ATOM 1472 CG LEU A 85 -6.363 -3.806 6.188 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.908 -3.726 5.778 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -6.544 -4.813 7.304 1.00 0.00 C ATOM 0 H LEU A 85 -4.936 -0.920 6.832 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.488 -1.725 4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.399 -2.190 7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.942 -2.514 6.817 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.942 -4.130 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.564 -4.711 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.801 -3.023 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.310 -3.386 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.179 -5.787 6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.983 -4.490 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.601 -4.889 7.558 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.808 0.646 6.457 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.876 1.627 6.474 1.00 0.00 C ATOM 1488 C VAL A 86 -8.941 2.389 5.151 1.00 0.00 C ATOM 1489 O VAL A 86 -9.999 2.461 4.527 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.686 2.619 7.640 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.625 3.812 7.506 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.901 1.911 8.969 1.00 0.00 C ATOM 0 H VAL A 86 -7.068 0.814 7.138 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.815 1.092 6.614 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.664 2.997 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.468 4.494 8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.421 4.332 6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.658 3.464 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.764 2.620 9.785 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.912 1.506 9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.181 1.099 9.069 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.811 2.935 4.712 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.779 3.693 3.462 1.00 0.00 C ATOM 1504 C ALA A 87 -7.887 2.774 2.243 1.00 0.00 C ATOM 1505 O ALA A 87 -8.723 2.983 1.367 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.506 4.524 3.379 1.00 0.00 C ATOM 0 H ALA A 87 -6.915 2.869 5.195 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.642 4.358 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.497 5.083 2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.470 5.220 4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.638 3.865 3.417 1.00 0.00 H new ATOM 1512 N LEU A 88 -7.059 1.739 2.219 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.995 0.819 1.084 1.00 0.00 C ATOM 1514 C LEU A 88 -8.226 -0.075 1.032 1.00 0.00 C ATOM 1515 O LEU A 88 -8.737 -0.395 -0.040 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.725 -0.027 1.175 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.422 0.774 1.203 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.276 -0.086 1.715 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.110 1.322 -0.181 1.00 0.00 C ATOM 0 H LEU A 88 -6.416 1.511 2.977 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.970 1.405 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.777 -0.640 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.698 -0.709 0.325 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.545 1.615 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.358 0.501 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.501 -0.429 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.147 -0.947 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.180 1.890 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.005 0.496 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.921 1.974 -0.506 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.699 -0.477 2.199 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.882 -1.307 2.275 1.00 0.00 C ATOM 1533 C GLY A 89 -11.119 -0.549 1.866 1.00 0.00 C ATOM 1534 O GLY A 89 -12.047 -1.127 1.308 1.00 0.00 O ATOM 0 H GLY A 89 -8.283 -0.242 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.758 -2.177 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.002 -1.678 3.293 1.00 0.00 H new ATOM 1538 N SER A 90 -11.120 0.753 2.136 1.00 0.00 N ATOM 1539 CA SER A 90 -12.192 1.627 1.686 1.00 0.00 C ATOM 1540 C SER A 90 -12.240 1.623 0.161 1.00 0.00 C ATOM 1541 O SER A 90 -13.316 1.675 -0.441 1.00 0.00 O ATOM 1542 CB SER A 90 -11.976 3.049 2.216 1.00 0.00 C ATOM 1543 OG SER A 90 -12.988 3.934 1.770 1.00 0.00 O ATOM 0 H SER A 90 -10.387 1.225 2.666 1.00 0.00 H new ATOM 0 HA SER A 90 -13.144 1.263 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.961 3.033 3.306 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.003 3.415 1.889 1.00 0.00 H new ATOM 0 HG SER A 90 -12.820 4.831 2.128 1.00 0.00 H new ATOM 1549 N SER A 91 -11.065 1.544 -0.455 1.00 0.00 N ATOM 1550 CA SER A 91 -10.966 1.418 -1.899 1.00 0.00 C ATOM 1551 C SER A 91 -11.521 0.071 -2.357 1.00 0.00 C ATOM 1552 O SER A 91 -12.357 0.017 -3.248 1.00 0.00 O ATOM 1553 CB SER A 91 -9.507 1.560 -2.340 1.00 0.00 C ATOM 1554 OG SER A 91 -8.943 2.762 -1.843 1.00 0.00 O ATOM 0 H SER A 91 -10.167 1.565 0.028 1.00 0.00 H new ATOM 0 HA SER A 91 -11.555 2.212 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.930 0.707 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.449 1.549 -3.428 1.00 0.00 H new ATOM 0 HG SER A 91 -8.789 2.677 -0.879 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.074 -1.009 -1.713 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.472 -2.359 -2.086 1.00 0.00 C ATOM 1562 C LYS A 92 -12.969 -2.597 -1.898 1.00 0.00 C ATOM 1563 O LYS A 92 -13.603 -3.305 -2.687 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.656 -3.360 -1.267 1.00 0.00 C ATOM 1565 CG LYS A 92 -11.435 -4.586 -0.817 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.627 -5.859 -0.981 1.00 0.00 C ATOM 1567 CE LYS A 92 -10.362 -6.136 -2.448 1.00 0.00 C ATOM 1568 NZ LYS A 92 -9.465 -7.297 -2.653 1.00 0.00 N ATOM 0 H LYS A 92 -10.430 -0.968 -0.923 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.271 -2.495 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.801 -3.685 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.259 -2.853 -0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.723 -4.470 0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.356 -4.663 -1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.682 -5.768 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -11.165 -6.697 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.309 -6.318 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -9.918 -5.253 -2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.740 -7.799 -3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.483 -6.966 -2.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.541 -7.942 -1.841 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.524 -2.025 -0.847 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.927 -2.199 -0.545 1.00 0.00 C ATOM 1584 C ALA A 93 -15.796 -1.580 -1.636 1.00 0.00 C ATOM 1585 O ALA A 93 -15.627 -0.412 -1.985 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.237 -1.606 0.817 1.00 0.00 C ATOM 0 H ALA A 93 -13.020 -1.433 -0.187 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.156 -3.264 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.296 -1.740 1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.640 -2.109 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.999 -0.542 0.814 1.00 0.00 H new