USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 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 46 MET CE :methyl -174:sc= -0.779 (180deg=-0.807) USER MOD Set 1.2: A 91 SER OG : rot -100:sc= -1.11 USER MOD Set 2.1: A 28 SER OG : rot -83:sc= 1.18 USER MOD Set 2.2: A 43 SER OG : rot 30:sc= 1.09 USER MOD Set 3.1: A 9 THR OG1 : rot -174:sc= 1.17 USER MOD Set 3.2: A 13 THR OG1 : rot 98:sc= 1.13 USER MOD Single : A 0 PHE N :NH3+ 157:sc= 0.183 (180deg=0.0302) USER MOD Single : A 1 MET CE :methyl -175:sc=-0.00275 (180deg=-0.0626) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0.729 (180deg=0.627) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0729 K(o=-0.073,f=-0.72) USER MOD Single : A 24 ASN : amide:sc= -0.227 K(o=-0.23,f=-1) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0233 USER MOD Single : A 33 GLN : amide:sc= -0.384 K(o=-0.38,f=-1.7) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 150:sc= -0.781 USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= 0.96 (180deg=-1.38) USER MOD Single : A 59 THR OG1 : rot 171:sc= -0.252 USER MOD Single : A 61 MET CE :methyl 163:sc=-0.00845 (180deg=-0.276) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 70 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.29) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.94 USER MOD Single : A 73 MET CE :methyl 159:sc= -0.717 (180deg=-1.88!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.63 K(o=-1.6,f=-7.9!) USER MOD Single : A 82 GLN : amide:sc= -0.0664 X(o=-0.066,f=-0.16) USER MOD Single : A 90 SER OG : rot -61:sc= 0.995 USER MOD Single : A 92 LYS NZ :NH3+ 161:sc= 1.16 (180deg=0.894) USER MOD ----------------------------------------------------------------- ATOM 90 N PHE A 0 -7.068 8.371 6.325 1.00 0.00 N ATOM 91 CA PHE A 0 -5.730 8.922 6.216 1.00 0.00 C ATOM 92 C PHE A 0 -4.727 7.966 6.848 1.00 0.00 C ATOM 93 O PHE A 0 -4.813 7.651 8.033 1.00 0.00 O ATOM 94 CB PHE A 0 -5.648 10.291 6.902 1.00 0.00 C ATOM 95 CG PHE A 0 -6.550 11.337 6.306 1.00 0.00 C ATOM 96 CD1 PHE A 0 -6.215 11.970 5.121 1.00 0.00 C ATOM 97 CD2 PHE A 0 -7.730 11.693 6.939 1.00 0.00 C ATOM 98 CE1 PHE A 0 -7.039 12.938 4.579 1.00 0.00 C ATOM 99 CE2 PHE A 0 -8.559 12.659 6.401 1.00 0.00 C ATOM 100 CZ PHE A 0 -8.213 13.281 5.219 1.00 0.00 C ATOM 0 H1 PHE A 0 -7.766 9.140 6.266 1.00 0.00 H new ATOM 0 H2 PHE A 0 -7.230 7.696 5.550 1.00 0.00 H new ATOM 0 H3 PHE A 0 -7.169 7.881 7.237 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.493 9.051 5.160 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -5.897 10.171 7.956 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -4.619 10.646 6.856 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -5.299 11.704 4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -8.005 11.209 7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -6.765 13.426 3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -9.476 12.927 6.905 1.00 0.00 H new ATOM 0 HZ PHE A 0 -8.860 14.035 4.795 1.00 0.00 H new ATOM 110 N MET A 1 -3.773 7.518 6.057 1.00 0.00 N ATOM 111 CA MET A 1 -2.773 6.575 6.529 1.00 0.00 C ATOM 112 C MET A 1 -1.410 6.929 5.954 1.00 0.00 C ATOM 113 O MET A 1 -1.320 7.410 4.827 1.00 0.00 O ATOM 114 CB MET A 1 -3.171 5.150 6.128 1.00 0.00 C ATOM 115 CG MET A 1 -2.188 4.078 6.569 1.00 0.00 C ATOM 116 SD MET A 1 -1.945 4.046 8.355 1.00 0.00 S ATOM 117 CE MET A 1 -0.751 2.718 8.496 1.00 0.00 C ATOM 0 H MET A 1 -3.667 7.792 5.080 1.00 0.00 H new ATOM 0 HA MET A 1 -2.715 6.629 7.616 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.150 4.926 6.552 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.276 5.106 5.044 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.547 3.104 6.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.229 4.247 6.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.561 2.510 9.549 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.144 1.823 8.015 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.179 3.012 8.010 1.00 0.00 H new ATOM 127 N GLU A 2 -0.359 6.698 6.724 1.00 0.00 N ATOM 128 CA GLU A 2 0.994 6.971 6.268 1.00 0.00 C ATOM 129 C GLU A 2 1.996 6.141 7.061 1.00 0.00 C ATOM 130 O GLU A 2 1.758 5.808 8.223 1.00 0.00 O ATOM 131 CB GLU A 2 1.321 8.468 6.371 1.00 0.00 C ATOM 132 CG GLU A 2 1.160 9.054 7.764 1.00 0.00 C ATOM 133 CD GLU A 2 1.426 10.546 7.796 1.00 0.00 C ATOM 134 OE1 GLU A 2 2.597 10.941 7.964 1.00 0.00 O ATOM 135 OE2 GLU A 2 0.463 11.331 7.657 1.00 0.00 O ATOM 0 H GLU A 2 -0.417 6.321 7.670 1.00 0.00 H new ATOM 0 HA GLU A 2 1.064 6.689 5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.348 8.626 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.677 9.016 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.149 8.860 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.843 8.551 8.448 1.00 0.00 H new ATOM 142 N GLY A 3 3.092 5.787 6.416 1.00 0.00 N ATOM 143 CA GLY A 3 4.107 4.974 7.049 1.00 0.00 C ATOM 144 C GLY A 3 4.989 4.319 6.015 1.00 0.00 C ATOM 145 O GLY A 3 4.927 4.680 4.838 1.00 0.00 O ATOM 0 H GLY A 3 3.300 6.051 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.713 5.591 7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.635 4.211 7.667 1.00 0.00 H new ATOM 149 N VAL A 4 5.805 3.358 6.423 1.00 0.00 N ATOM 150 CA VAL A 4 6.679 2.686 5.476 1.00 0.00 C ATOM 151 C VAL A 4 6.285 1.222 5.316 1.00 0.00 C ATOM 152 O VAL A 4 5.592 0.650 6.160 1.00 0.00 O ATOM 153 CB VAL A 4 8.181 2.769 5.863 1.00 0.00 C ATOM 154 CG1 VAL A 4 8.512 4.113 6.496 1.00 0.00 C ATOM 155 CG2 VAL A 4 8.595 1.606 6.757 1.00 0.00 C ATOM 0 H VAL A 4 5.880 3.031 7.386 1.00 0.00 H new ATOM 0 HA VAL A 4 6.552 3.214 4.531 1.00 0.00 H new ATOM 0 HB VAL A 4 8.763 2.688 4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.570 4.142 6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.290 4.913 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.913 4.248 7.396 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.652 1.698 7.007 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.003 1.622 7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.427 0.666 6.232 1.00 0.00 H new ATOM 165 N LEU A 5 6.731 0.639 4.216 1.00 0.00 N ATOM 166 CA LEU A 5 6.504 -0.769 3.916 1.00 0.00 C ATOM 167 C LEU A 5 7.800 -1.381 3.414 1.00 0.00 C ATOM 168 O LEU A 5 8.696 -0.666 2.954 1.00 0.00 O ATOM 169 CB LEU A 5 5.426 -0.967 2.828 1.00 0.00 C ATOM 170 CG LEU A 5 3.959 -0.761 3.233 1.00 0.00 C ATOM 171 CD1 LEU A 5 3.608 -1.546 4.486 1.00 0.00 C ATOM 172 CD2 LEU A 5 3.646 0.712 3.401 1.00 0.00 C ATOM 0 H LEU A 5 7.265 1.131 3.499 1.00 0.00 H new ATOM 0 HA LEU A 5 6.160 -1.249 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.647 -0.284 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.527 -1.979 2.436 1.00 0.00 H new ATOM 0 HG LEU A 5 3.337 -1.147 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.562 -1.375 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.769 -2.609 4.306 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.241 -1.218 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.601 0.832 3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.286 1.134 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.826 1.232 2.460 1.00 0.00 H new ATOM 184 N TYR A 6 7.900 -2.697 3.516 1.00 0.00 N ATOM 185 CA TYR A 6 9.009 -3.427 2.922 1.00 0.00 C ATOM 186 C TYR A 6 8.854 -3.428 1.406 1.00 0.00 C ATOM 187 O TYR A 6 8.081 -4.214 0.859 1.00 0.00 O ATOM 188 CB TYR A 6 9.051 -4.881 3.423 1.00 0.00 C ATOM 189 CG TYR A 6 9.377 -5.063 4.897 1.00 0.00 C ATOM 190 CD1 TYR A 6 8.783 -4.283 5.878 1.00 0.00 C ATOM 191 CD2 TYR A 6 10.288 -6.031 5.300 1.00 0.00 C ATOM 192 CE1 TYR A 6 9.084 -4.457 7.213 1.00 0.00 C ATOM 193 CE2 TYR A 6 10.596 -6.212 6.634 1.00 0.00 C ATOM 194 CZ TYR A 6 9.991 -5.423 7.585 1.00 0.00 C ATOM 195 OH TYR A 6 10.296 -5.597 8.912 1.00 0.00 O ATOM 0 H TYR A 6 7.224 -3.283 4.006 1.00 0.00 H new ATOM 0 HA TYR A 6 9.937 -2.935 3.211 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.083 -5.342 3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.790 -5.426 2.837 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.070 -3.524 5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.764 -6.653 4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.611 -3.839 7.962 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.308 -6.969 6.929 1.00 0.00 H new ATOM 0 HH TYR A 6 10.952 -6.319 9.005 1.00 0.00 H new ATOM 205 N LYS A 7 9.572 -2.544 0.735 1.00 0.00 N ATOM 206 CA LYS A 7 9.453 -2.409 -0.709 1.00 0.00 C ATOM 207 C LYS A 7 10.586 -3.172 -1.388 1.00 0.00 C ATOM 208 O LYS A 7 11.766 -2.877 -1.180 1.00 0.00 O ATOM 209 CB LYS A 7 9.469 -0.917 -1.098 1.00 0.00 C ATOM 210 CG LYS A 7 9.009 -0.616 -2.522 1.00 0.00 C ATOM 211 CD LYS A 7 10.102 -0.879 -3.545 1.00 0.00 C ATOM 212 CE LYS A 7 9.620 -0.608 -4.959 1.00 0.00 C ATOM 213 NZ LYS A 7 10.661 -0.925 -5.971 1.00 0.00 N ATOM 0 H LYS A 7 10.244 -1.909 1.166 1.00 0.00 H new ATOM 0 HA LYS A 7 8.506 -2.834 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.832 -0.369 -0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.482 -0.535 -0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.138 -1.228 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.695 0.426 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.965 -0.249 -3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.435 -1.914 -3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.728 -1.202 -5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.333 0.440 -5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.239 -0.906 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.424 -0.220 -5.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.050 -1.871 -5.784 1.00 0.00 H new ATOM 227 N TRP A 8 10.219 -4.168 -2.183 1.00 0.00 N ATOM 228 CA TRP A 8 11.195 -4.993 -2.880 1.00 0.00 C ATOM 229 C TRP A 8 11.889 -4.192 -3.977 1.00 0.00 C ATOM 230 O TRP A 8 11.241 -3.498 -4.767 1.00 0.00 O ATOM 231 CB TRP A 8 10.516 -6.229 -3.478 1.00 0.00 C ATOM 232 CG TRP A 8 11.480 -7.164 -4.144 1.00 0.00 C ATOM 233 CD1 TRP A 8 11.723 -7.278 -5.484 1.00 0.00 C ATOM 234 CD2 TRP A 8 12.339 -8.111 -3.500 1.00 0.00 C ATOM 235 NE1 TRP A 8 12.677 -8.240 -5.709 1.00 0.00 N ATOM 236 CE2 TRP A 8 13.070 -8.765 -4.508 1.00 0.00 C ATOM 237 CE3 TRP A 8 12.559 -8.469 -2.166 1.00 0.00 C ATOM 238 CZ2 TRP A 8 14.004 -9.759 -4.225 1.00 0.00 C ATOM 239 CZ3 TRP A 8 13.488 -9.454 -1.887 1.00 0.00 C ATOM 240 CH2 TRP A 8 14.201 -10.088 -2.913 1.00 0.00 C ATOM 0 H TRP A 8 9.248 -4.425 -2.361 1.00 0.00 H new ATOM 0 HA TRP A 8 11.946 -5.318 -2.160 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.987 -6.763 -2.689 1.00 0.00 H new ATOM 0 HB3 TRP A 8 9.768 -5.910 -4.204 1.00 0.00 H new ATOM 0 HD1 TRP A 8 11.236 -6.697 -6.253 1.00 0.00 H new ATOM 0 HE1 TRP A 8 13.035 -8.518 -6.623 1.00 0.00 H new ATOM 0 HE3 TRP A 8 12.014 -7.985 -1.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 14.553 -10.252 -5.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 13.667 -9.740 -0.861 1.00 0.00 H new ATOM 0 HH2 TRP A 8 14.921 -10.853 -2.662 1.00 0.00 H new ATOM 251 N THR A 9 13.206 -4.279 -4.014 1.00 0.00 N ATOM 252 CA THR A 9 13.990 -3.556 -5.001 1.00 0.00 C ATOM 253 C THR A 9 14.726 -4.519 -5.930 1.00 0.00 C ATOM 254 O THR A 9 14.354 -4.680 -7.091 1.00 0.00 O ATOM 255 CB THR A 9 14.990 -2.608 -4.312 1.00 0.00 C ATOM 256 OG1 THR A 9 15.587 -3.263 -3.181 1.00 0.00 O ATOM 257 CG2 THR A 9 14.293 -1.336 -3.859 1.00 0.00 C ATOM 0 H THR A 9 13.758 -4.845 -3.370 1.00 0.00 H new ATOM 0 HA THR A 9 13.303 -2.961 -5.603 1.00 0.00 H new ATOM 0 HB THR A 9 15.768 -2.345 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.149 -2.626 -2.693 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.015 -0.678 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.863 -0.829 -4.723 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.500 -1.587 -3.154 1.00 0.00 H new ATOM 265 N ASN A 10 15.762 -5.159 -5.411 1.00 0.00 N ATOM 266 CA ASN A 10 16.512 -6.158 -6.164 1.00 0.00 C ATOM 267 C ASN A 10 16.941 -7.277 -5.239 1.00 0.00 C ATOM 268 O ASN A 10 16.967 -7.099 -4.025 1.00 0.00 O ATOM 269 CB ASN A 10 17.749 -5.552 -6.843 1.00 0.00 C ATOM 270 CG ASN A 10 17.441 -4.944 -8.195 1.00 0.00 C ATOM 271 OD1 ASN A 10 17.442 -5.640 -9.208 1.00 0.00 O ATOM 272 ND2 ASN A 10 17.216 -3.643 -8.225 1.00 0.00 N ATOM 0 H ASN A 10 16.107 -5.004 -4.464 1.00 0.00 H new ATOM 0 HA ASN A 10 15.857 -6.546 -6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 10 18.175 -4.786 -6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.507 -6.326 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 10 17.034 -3.177 -9.114 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.225 -3.104 -7.359 1.00 0.00 H new ATOM 279 N TYR A 11 17.290 -8.419 -5.810 1.00 0.00 N ATOM 280 CA TYR A 11 17.732 -9.566 -5.020 1.00 0.00 C ATOM 281 C TYR A 11 19.027 -9.250 -4.267 1.00 0.00 C ATOM 282 O TYR A 11 19.308 -9.836 -3.222 1.00 0.00 O ATOM 283 CB TYR A 11 17.914 -10.802 -5.917 1.00 0.00 C ATOM 284 CG TYR A 11 18.956 -10.640 -7.008 1.00 0.00 C ATOM 285 CD1 TYR A 11 18.691 -9.894 -8.149 1.00 0.00 C ATOM 286 CD2 TYR A 11 20.207 -11.230 -6.891 1.00 0.00 C ATOM 287 CE1 TYR A 11 19.639 -9.742 -9.140 1.00 0.00 C ATOM 288 CE2 TYR A 11 21.161 -11.081 -7.877 1.00 0.00 C ATOM 289 CZ TYR A 11 20.875 -10.336 -8.998 1.00 0.00 C ATOM 290 OH TYR A 11 21.827 -10.182 -9.980 1.00 0.00 O ATOM 0 H TYR A 11 17.277 -8.580 -6.817 1.00 0.00 H new ATOM 0 HA TYR A 11 16.960 -9.785 -4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 11 18.190 -11.651 -5.292 1.00 0.00 H new ATOM 0 HB3 TYR A 11 16.957 -11.044 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 11 17.725 -9.424 -8.263 1.00 0.00 H new ATOM 0 HD2 TYR A 11 20.438 -11.816 -6.013 1.00 0.00 H new ATOM 0 HE1 TYR A 11 19.414 -9.161 -10.022 1.00 0.00 H new ATOM 0 HE2 TYR A 11 22.129 -11.548 -7.769 1.00 0.00 H new ATOM 0 HH TYR A 11 22.642 -10.663 -9.724 1.00 0.00 H new ATOM 300 N LEU A 12 19.811 -8.318 -4.803 1.00 0.00 N ATOM 301 CA LEU A 12 21.058 -7.904 -4.170 1.00 0.00 C ATOM 302 C LEU A 12 20.799 -7.038 -2.938 1.00 0.00 C ATOM 303 O LEU A 12 21.450 -7.196 -1.906 1.00 0.00 O ATOM 304 CB LEU A 12 21.926 -7.132 -5.168 1.00 0.00 C ATOM 305 CG LEU A 12 22.439 -7.946 -6.358 1.00 0.00 C ATOM 306 CD1 LEU A 12 23.178 -7.044 -7.337 1.00 0.00 C ATOM 307 CD2 LEU A 12 23.342 -9.075 -5.878 1.00 0.00 C ATOM 0 H LEU A 12 19.603 -7.835 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 12 21.582 -8.805 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 12 21.350 -6.288 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.783 -6.719 -4.635 1.00 0.00 H new ATOM 0 HG LEU A 12 21.586 -8.386 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 12 23.537 -7.637 -8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 12 22.502 -6.271 -7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 12 24.025 -6.578 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.699 -9.645 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.193 -8.657 -5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.781 -9.732 -5.214 1.00 0.00 H new ATOM 319 N THR A 13 19.839 -6.133 -3.049 1.00 0.00 N ATOM 320 CA THR A 13 19.536 -5.201 -1.974 1.00 0.00 C ATOM 321 C THR A 13 18.512 -5.770 -0.996 1.00 0.00 C ATOM 322 O THR A 13 18.452 -5.360 0.162 1.00 0.00 O ATOM 323 CB THR A 13 19.019 -3.873 -2.550 1.00 0.00 C ATOM 324 OG1 THR A 13 18.081 -4.134 -3.602 1.00 0.00 O ATOM 325 CG2 THR A 13 20.165 -3.037 -3.089 1.00 0.00 C ATOM 0 H THR A 13 19.254 -6.024 -3.877 1.00 0.00 H new ATOM 0 HA THR A 13 20.462 -5.028 -1.426 1.00 0.00 H new ATOM 0 HB THR A 13 18.529 -3.318 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.169 -4.066 -3.251 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.775 -2.102 -3.492 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.868 -2.821 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 13 20.676 -3.587 -3.879 1.00 0.00 H new ATOM 333 N GLY A 14 17.709 -6.710 -1.466 1.00 0.00 N ATOM 334 CA GLY A 14 16.698 -7.302 -0.624 1.00 0.00 C ATOM 335 C GLY A 14 15.491 -6.401 -0.506 1.00 0.00 C ATOM 336 O GLY A 14 14.830 -6.106 -1.504 1.00 0.00 O ATOM 0 H GLY A 14 17.741 -7.073 -2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 14 16.397 -8.266 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.111 -7.493 0.366 1.00 0.00 H new ATOM 340 N TRP A 15 15.222 -5.931 0.703 1.00 0.00 N ATOM 341 CA TRP A 15 14.080 -5.069 0.940 1.00 0.00 C ATOM 342 C TRP A 15 14.548 -3.656 1.275 1.00 0.00 C ATOM 343 O TRP A 15 15.597 -3.468 1.897 1.00 0.00 O ATOM 344 CB TRP A 15 13.204 -5.626 2.073 1.00 0.00 C ATOM 345 CG TRP A 15 13.625 -5.202 3.454 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.632 -5.721 4.218 1.00 0.00 C ATOM 347 CD2 TRP A 15 13.023 -4.166 4.236 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.693 -5.058 5.423 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.712 -4.102 5.457 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.967 -3.287 4.012 1.00 0.00 C ATOM 351 CZ2 TRP A 15 13.373 -3.188 6.453 1.00 0.00 C ATOM 352 CZ3 TRP A 15 11.625 -2.385 4.994 1.00 0.00 C ATOM 353 CH2 TRP A 15 12.325 -2.338 6.205 1.00 0.00 C ATOM 0 H TRP A 15 15.780 -6.133 1.533 1.00 0.00 H new ATOM 0 HA TRP A 15 13.480 -5.034 0.031 1.00 0.00 H new ATOM 0 HB2 TRP A 15 12.174 -5.310 1.908 1.00 0.00 H new ATOM 0 HB3 TRP A 15 13.215 -6.715 2.022 1.00 0.00 H new ATOM 0 HD1 TRP A 15 15.283 -6.530 3.921 1.00 0.00 H new ATOM 0 HE1 TRP A 15 15.361 -5.248 6.170 1.00 0.00 H new ATOM 0 HE3 TRP A 15 11.423 -3.312 3.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.916 -3.150 7.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 10.804 -1.703 4.827 1.00 0.00 H new ATOM 0 HH2 TRP A 15 12.035 -1.620 6.958 1.00 0.00 H new ATOM 364 N GLN A 16 13.789 -2.668 0.833 1.00 0.00 N ATOM 365 CA GLN A 16 14.066 -1.279 1.164 1.00 0.00 C ATOM 366 C GLN A 16 12.793 -0.596 1.645 1.00 0.00 C ATOM 367 O GLN A 16 11.779 -0.610 0.950 1.00 0.00 O ATOM 368 CB GLN A 16 14.636 -0.540 -0.050 1.00 0.00 C ATOM 369 CG GLN A 16 16.042 -0.983 -0.433 1.00 0.00 C ATOM 370 CD GLN A 16 17.078 -0.609 0.612 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.957 0.411 1.291 1.00 0.00 O ATOM 372 NE2 GLN A 16 18.103 -1.435 0.755 1.00 0.00 N ATOM 0 H GLN A 16 12.970 -2.803 0.240 1.00 0.00 H new ATOM 0 HA GLN A 16 14.808 -1.252 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.972 -0.692 -0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.646 0.530 0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.052 -2.063 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.314 -0.531 -1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.169 -2.271 0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.826 -1.235 1.446 1.00 0.00 H new ATOM 381 N PRO A 17 12.817 -0.013 2.850 1.00 0.00 N ATOM 382 CA PRO A 17 11.666 0.706 3.394 1.00 0.00 C ATOM 383 C PRO A 17 11.309 1.919 2.540 1.00 0.00 C ATOM 384 O PRO A 17 12.175 2.720 2.180 1.00 0.00 O ATOM 385 CB PRO A 17 12.132 1.142 4.785 1.00 0.00 C ATOM 386 CG PRO A 17 13.620 1.119 4.716 1.00 0.00 C ATOM 387 CD PRO A 17 13.962 -0.002 3.776 1.00 0.00 C ATOM 0 HA PRO A 17 10.767 0.090 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.763 2.138 5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.762 0.466 5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.011 2.069 4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 17 14.056 0.952 5.701 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.902 0.180 3.255 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.067 -0.952 4.300 1.00 0.00 H new ATOM 395 N ARG A 18 10.042 2.035 2.191 1.00 0.00 N ATOM 396 CA ARG A 18 9.579 3.148 1.381 1.00 0.00 C ATOM 397 C ARG A 18 8.321 3.741 1.996 1.00 0.00 C ATOM 398 O ARG A 18 7.556 3.033 2.649 1.00 0.00 O ATOM 399 CB ARG A 18 9.329 2.675 -0.052 1.00 0.00 C ATOM 400 CG ARG A 18 9.101 3.790 -1.059 1.00 0.00 C ATOM 401 CD ARG A 18 10.148 4.889 -0.947 1.00 0.00 C ATOM 402 NE ARG A 18 11.511 4.367 -0.803 1.00 0.00 N ATOM 403 CZ ARG A 18 12.592 4.970 -1.301 1.00 0.00 C ATOM 404 NH1 ARG A 18 12.458 6.033 -2.085 1.00 0.00 N ATOM 405 NH2 ARG A 18 13.804 4.499 -1.033 1.00 0.00 N ATOM 0 H ARG A 18 9.313 1.372 2.455 1.00 0.00 H new ATOM 0 HA ARG A 18 10.342 3.926 1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.182 2.079 -0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.460 2.017 -0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.118 3.376 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.110 4.218 -0.907 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.099 5.522 -1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.914 5.521 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 18 11.640 3.493 -0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.528 6.389 -2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.285 6.494 -2.465 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.911 3.673 -0.444 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.628 4.963 -1.416 1.00 0.00 H new ATOM 419 N TRP A 19 8.117 5.030 1.785 1.00 0.00 N ATOM 420 CA TRP A 19 7.032 5.743 2.434 1.00 0.00 C ATOM 421 C TRP A 19 5.805 5.779 1.535 1.00 0.00 C ATOM 422 O TRP A 19 5.877 6.179 0.372 1.00 0.00 O ATOM 423 CB TRP A 19 7.487 7.163 2.791 1.00 0.00 C ATOM 424 CG TRP A 19 6.513 7.920 3.648 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.475 8.696 3.221 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.498 7.984 5.081 1.00 0.00 C ATOM 427 NE1 TRP A 19 4.812 9.231 4.299 1.00 0.00 N ATOM 428 CE2 TRP A 19 5.419 8.808 5.451 1.00 0.00 C ATOM 429 CE3 TRP A 19 7.286 7.419 6.087 1.00 0.00 C ATOM 430 CZ2 TRP A 19 5.113 9.084 6.783 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.981 7.695 7.409 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.901 8.519 7.745 1.00 0.00 C ATOM 0 H TRP A 19 8.690 5.605 1.168 1.00 0.00 H new ATOM 0 HA TRP A 19 6.761 5.220 3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.444 7.107 3.310 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.655 7.722 1.870 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.213 8.865 2.187 1.00 0.00 H new ATOM 0 HE1 TRP A 19 3.999 9.844 4.249 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.119 6.778 5.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.282 9.722 7.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.587 7.267 8.194 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.686 8.712 8.786 1.00 0.00 H new ATOM 443 N PHE A 20 4.686 5.332 2.077 1.00 0.00 N ATOM 444 CA PHE A 20 3.431 5.309 1.350 1.00 0.00 C ATOM 445 C PHE A 20 2.361 6.037 2.145 1.00 0.00 C ATOM 446 O PHE A 20 2.393 6.047 3.377 1.00 0.00 O ATOM 447 CB PHE A 20 2.980 3.868 1.080 1.00 0.00 C ATOM 448 CG PHE A 20 3.899 3.095 0.173 1.00 0.00 C ATOM 449 CD1 PHE A 20 4.978 2.397 0.687 1.00 0.00 C ATOM 450 CD2 PHE A 20 3.674 3.058 -1.193 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.818 1.681 -0.144 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.509 2.344 -2.029 1.00 0.00 C ATOM 453 CZ PHE A 20 5.582 1.652 -1.504 1.00 0.00 C ATOM 0 H PHE A 20 4.622 4.976 3.031 1.00 0.00 H new ATOM 0 HA PHE A 20 3.581 5.810 0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.897 3.341 2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.984 3.887 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.166 2.412 1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.834 3.595 -1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.659 1.144 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.323 2.327 -3.093 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.235 1.090 -2.155 1.00 0.00 H new ATOM 463 N VAL A 21 1.427 6.657 1.444 1.00 0.00 N ATOM 464 CA VAL A 21 0.326 7.353 2.092 1.00 0.00 C ATOM 465 C VAL A 21 -1.006 6.953 1.467 1.00 0.00 C ATOM 466 O VAL A 21 -1.125 6.847 0.247 1.00 0.00 O ATOM 467 CB VAL A 21 0.483 8.896 2.033 1.00 0.00 C ATOM 468 CG1 VAL A 21 1.725 9.351 2.788 1.00 0.00 C ATOM 469 CG2 VAL A 21 0.530 9.391 0.595 1.00 0.00 C ATOM 0 H VAL A 21 1.408 6.693 0.425 1.00 0.00 H new ATOM 0 HA VAL A 21 0.344 7.056 3.140 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.392 9.331 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.809 10.436 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.647 9.049 3.832 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.609 8.894 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.640 10.475 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.377 8.936 0.081 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.394 9.117 0.085 1.00 0.00 H new ATOM 479 N LEU A 22 -1.993 6.701 2.311 1.00 0.00 N ATOM 480 CA LEU A 22 -3.339 6.431 1.846 1.00 0.00 C ATOM 481 C LEU A 22 -4.163 7.682 2.071 1.00 0.00 C ATOM 482 O LEU A 22 -4.305 8.147 3.205 1.00 0.00 O ATOM 483 CB LEU A 22 -3.948 5.232 2.599 1.00 0.00 C ATOM 484 CG LEU A 22 -5.246 4.641 2.016 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.451 5.517 2.326 1.00 0.00 C ATOM 486 CD2 LEU A 22 -5.117 4.437 0.513 1.00 0.00 C ATOM 0 H LEU A 22 -1.884 6.678 3.325 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.327 6.172 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.201 4.440 2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.144 5.538 3.626 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.405 3.673 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.347 5.067 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.569 5.605 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.301 6.507 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.044 4.019 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.919 5.395 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.295 3.751 0.308 1.00 0.00 H new ATOM 498 N ASP A 23 -4.692 8.225 0.994 1.00 0.00 N ATOM 499 CA ASP A 23 -5.441 9.464 1.060 1.00 0.00 C ATOM 500 C ASP A 23 -6.664 9.401 0.156 1.00 0.00 C ATOM 501 O ASP A 23 -6.541 9.402 -1.068 1.00 0.00 O ATOM 502 CB ASP A 23 -4.545 10.639 0.650 1.00 0.00 C ATOM 503 CG ASP A 23 -5.249 11.978 0.738 1.00 0.00 C ATOM 504 OD1 ASP A 23 -5.333 12.542 1.850 1.00 0.00 O ATOM 505 OD2 ASP A 23 -5.713 12.483 -0.306 1.00 0.00 O ATOM 0 H ASP A 23 -4.617 7.826 0.058 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.778 9.611 2.086 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.662 10.656 1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.196 10.484 -0.371 1.00 0.00 H new ATOM 510 N ASN A 24 -7.835 9.297 0.777 1.00 0.00 N ATOM 511 CA ASN A 24 -9.118 9.356 0.068 1.00 0.00 C ATOM 512 C ASN A 24 -9.213 8.295 -1.037 1.00 0.00 C ATOM 513 O ASN A 24 -9.739 8.547 -2.119 1.00 0.00 O ATOM 514 CB ASN A 24 -9.327 10.764 -0.514 1.00 0.00 C ATOM 515 CG ASN A 24 -10.751 11.014 -0.990 1.00 0.00 C ATOM 516 OD1 ASN A 24 -11.709 10.454 -0.453 1.00 0.00 O ATOM 517 ND2 ASN A 24 -10.899 11.870 -1.993 1.00 0.00 N ATOM 0 H ASN A 24 -7.926 9.169 1.785 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.909 9.141 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.069 11.504 0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.641 10.910 -1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.831 12.085 -2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.080 12.313 -2.411 1.00 0.00 H new ATOM 524 N GLY A 25 -8.698 7.104 -0.754 1.00 0.00 N ATOM 525 CA GLY A 25 -8.780 6.009 -1.709 1.00 0.00 C ATOM 526 C GLY A 25 -7.591 5.960 -2.647 1.00 0.00 C ATOM 527 O GLY A 25 -7.489 5.062 -3.484 1.00 0.00 O ATOM 0 H GLY A 25 -8.224 6.875 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.850 5.065 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.695 6.110 -2.293 1.00 0.00 H new ATOM 531 N ILE A 26 -6.698 6.926 -2.522 1.00 0.00 N ATOM 532 CA ILE A 26 -5.509 6.960 -3.355 1.00 0.00 C ATOM 533 C ILE A 26 -4.279 6.594 -2.531 1.00 0.00 C ATOM 534 O ILE A 26 -4.078 7.114 -1.436 1.00 0.00 O ATOM 535 CB ILE A 26 -5.306 8.346 -4.008 1.00 0.00 C ATOM 536 CG1 ILE A 26 -6.572 8.775 -4.763 1.00 0.00 C ATOM 537 CG2 ILE A 26 -4.107 8.323 -4.943 1.00 0.00 C ATOM 538 CD1 ILE A 26 -7.047 7.769 -5.792 1.00 0.00 C ATOM 0 H ILE A 26 -6.773 7.694 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.646 6.230 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.113 9.074 -3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.371 8.947 -4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.381 9.726 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.979 9.307 -5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.211 8.062 -4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.271 7.583 -5.726 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.945 8.146 -6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.266 7.614 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.272 6.823 -5.299 1.00 0.00 H new ATOM 550 N LEU A 27 -3.477 5.686 -3.058 1.00 0.00 N ATOM 551 CA LEU A 27 -2.277 5.230 -2.380 1.00 0.00 C ATOM 552 C LEU A 27 -1.058 5.790 -3.106 1.00 0.00 C ATOM 553 O LEU A 27 -0.752 5.386 -4.224 1.00 0.00 O ATOM 554 CB LEU A 27 -2.268 3.690 -2.364 1.00 0.00 C ATOM 555 CG LEU A 27 -1.355 3.005 -1.331 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.104 3.044 -1.758 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.524 3.649 0.037 1.00 0.00 C ATOM 0 H LEU A 27 -3.638 5.246 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.253 5.582 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.289 3.347 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.977 3.343 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.654 1.959 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.717 2.551 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.218 2.529 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.424 4.080 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.872 3.153 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.261 4.705 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.560 3.551 0.360 1.00 0.00 H new ATOM 569 N SER A 28 -0.368 6.723 -2.477 1.00 0.00 N ATOM 570 CA SER A 28 0.756 7.390 -3.116 1.00 0.00 C ATOM 571 C SER A 28 2.072 6.970 -2.481 1.00 0.00 C ATOM 572 O SER A 28 2.143 6.735 -1.274 1.00 0.00 O ATOM 573 CB SER A 28 0.595 8.909 -3.034 1.00 0.00 C ATOM 574 OG SER A 28 -0.605 9.326 -3.664 1.00 0.00 O ATOM 0 H SER A 28 -0.564 7.037 -1.527 1.00 0.00 H new ATOM 0 HA SER A 28 0.770 7.093 -4.165 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.590 9.222 -1.990 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.447 9.395 -3.509 1.00 0.00 H new ATOM 0 HG SER A 28 -0.458 9.404 -4.630 1.00 0.00 H new ATOM 580 N TYR A 29 3.105 6.868 -3.301 1.00 0.00 N ATOM 581 CA TYR A 29 4.431 6.510 -2.826 1.00 0.00 C ATOM 582 C TYR A 29 5.343 7.729 -2.848 1.00 0.00 C ATOM 583 O TYR A 29 5.282 8.546 -3.771 1.00 0.00 O ATOM 584 CB TYR A 29 5.027 5.379 -3.676 1.00 0.00 C ATOM 585 CG TYR A 29 5.182 5.715 -5.148 1.00 0.00 C ATOM 586 CD1 TYR A 29 4.109 5.607 -6.026 1.00 0.00 C ATOM 587 CD2 TYR A 29 6.405 6.132 -5.658 1.00 0.00 C ATOM 588 CE1 TYR A 29 4.252 5.908 -7.368 1.00 0.00 C ATOM 589 CE2 TYR A 29 6.556 6.436 -6.998 1.00 0.00 C ATOM 590 CZ TYR A 29 5.478 6.323 -7.848 1.00 0.00 C ATOM 591 OH TYR A 29 5.626 6.624 -9.185 1.00 0.00 O ATOM 0 H TYR A 29 3.049 7.030 -4.307 1.00 0.00 H new ATOM 0 HA TYR A 29 4.345 6.154 -1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.004 5.113 -3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.393 4.498 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.148 5.283 -5.654 1.00 0.00 H new ATOM 0 HD2 TYR A 29 7.253 6.220 -4.995 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.409 5.819 -8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.514 6.760 -7.376 1.00 0.00 H new ATOM 0 HH TYR A 29 6.550 6.901 -9.358 1.00 0.00 H new ATOM 601 N TYR A 30 6.165 7.859 -1.823 1.00 0.00 N ATOM 602 CA TYR A 30 7.080 8.983 -1.713 1.00 0.00 C ATOM 603 C TYR A 30 8.440 8.517 -1.221 1.00 0.00 C ATOM 604 O TYR A 30 8.562 7.471 -0.578 1.00 0.00 O ATOM 605 CB TYR A 30 6.508 10.042 -0.769 1.00 0.00 C ATOM 606 CG TYR A 30 5.328 10.787 -1.349 1.00 0.00 C ATOM 607 CD1 TYR A 30 5.522 11.772 -2.303 1.00 0.00 C ATOM 608 CD2 TYR A 30 4.028 10.508 -0.949 1.00 0.00 C ATOM 609 CE1 TYR A 30 4.459 12.461 -2.843 1.00 0.00 C ATOM 610 CE2 TYR A 30 2.955 11.196 -1.489 1.00 0.00 C ATOM 611 CZ TYR A 30 3.180 12.171 -2.436 1.00 0.00 C ATOM 612 OH TYR A 30 2.122 12.862 -2.981 1.00 0.00 O ATOM 0 H TYR A 30 6.218 7.196 -1.050 1.00 0.00 H new ATOM 0 HA TYR A 30 7.204 9.426 -2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.204 9.563 0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.292 10.757 -0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 30 6.525 12.004 -2.629 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.852 9.744 -0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.631 13.227 -3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.948 10.970 -1.170 1.00 0.00 H new ATOM 0 HH TYR A 30 1.284 12.539 -2.590 1.00 0.00 H new ATOM 622 N ASP A 31 9.460 9.301 -1.536 1.00 0.00 N ATOM 623 CA ASP A 31 10.831 8.959 -1.191 1.00 0.00 C ATOM 624 C ASP A 31 11.075 9.209 0.289 1.00 0.00 C ATOM 625 O ASP A 31 11.900 8.551 0.916 1.00 0.00 O ATOM 626 CB ASP A 31 11.806 9.786 -2.034 1.00 0.00 C ATOM 627 CG ASP A 31 13.218 9.233 -2.022 1.00 0.00 C ATOM 628 OD1 ASP A 31 13.537 8.391 -2.891 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.019 9.646 -1.160 1.00 0.00 O ATOM 0 H ASP A 31 9.362 10.186 -2.034 1.00 0.00 H new ATOM 0 HA ASP A 31 10.995 7.902 -1.400 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.446 9.825 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.820 10.811 -1.662 1.00 0.00 H new ATOM 634 N SER A 32 10.336 10.158 0.839 1.00 0.00 N ATOM 635 CA SER A 32 10.460 10.510 2.239 1.00 0.00 C ATOM 636 C SER A 32 9.192 11.204 2.716 1.00 0.00 C ATOM 637 O SER A 32 8.270 11.421 1.926 1.00 0.00 O ATOM 638 CB SER A 32 11.677 11.419 2.444 1.00 0.00 C ATOM 639 OG SER A 32 11.624 12.547 1.584 1.00 0.00 O ATOM 0 H SER A 32 9.639 10.701 0.330 1.00 0.00 H new ATOM 0 HA SER A 32 10.601 9.601 2.824 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.716 11.751 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.591 10.856 2.255 1.00 0.00 H new ATOM 0 HG SER A 32 12.411 13.111 1.736 1.00 0.00 H new ATOM 645 N GLN A 33 9.145 11.558 3.994 1.00 0.00 N ATOM 646 CA GLN A 33 8.010 12.287 4.542 1.00 0.00 C ATOM 647 C GLN A 33 7.971 13.682 3.917 1.00 0.00 C ATOM 648 O GLN A 33 6.911 14.191 3.550 1.00 0.00 O ATOM 649 CB GLN A 33 8.137 12.364 6.072 1.00 0.00 C ATOM 650 CG GLN A 33 6.841 12.689 6.807 1.00 0.00 C ATOM 651 CD GLN A 33 6.426 14.145 6.694 1.00 0.00 C ATOM 652 OE1 GLN A 33 7.264 15.037 6.564 1.00 0.00 O ATOM 653 NE2 GLN A 33 5.129 14.396 6.757 1.00 0.00 N ATOM 0 H GLN A 33 9.880 11.352 4.670 1.00 0.00 H new ATOM 0 HA GLN A 33 7.078 11.773 4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.517 11.411 6.439 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.880 13.121 6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.042 12.061 6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.957 12.434 7.860 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.466 13.629 6.865 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.792 15.357 6.697 1.00 0.00 H new ATOM 662 N ASP A 34 9.151 14.270 3.761 1.00 0.00 N ATOM 663 CA ASP A 34 9.294 15.590 3.148 1.00 0.00 C ATOM 664 C ASP A 34 8.904 15.564 1.669 1.00 0.00 C ATOM 665 O ASP A 34 8.376 16.542 1.128 1.00 0.00 O ATOM 666 CB ASP A 34 10.736 16.081 3.304 1.00 0.00 C ATOM 667 CG ASP A 34 11.028 17.316 2.481 1.00 0.00 C ATOM 668 OD1 ASP A 34 10.583 18.413 2.871 1.00 0.00 O ATOM 669 OD2 ASP A 34 11.679 17.189 1.422 1.00 0.00 O ATOM 0 H ASP A 34 10.033 13.850 4.053 1.00 0.00 H new ATOM 0 HA ASP A 34 8.619 16.277 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.930 16.296 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.420 15.285 3.010 1.00 0.00 H new ATOM 674 N ASP A 35 9.147 14.429 1.030 1.00 0.00 N ATOM 675 CA ASP A 35 8.847 14.251 -0.391 1.00 0.00 C ATOM 676 C ASP A 35 7.336 14.236 -0.624 1.00 0.00 C ATOM 677 O ASP A 35 6.862 14.489 -1.726 1.00 0.00 O ATOM 678 CB ASP A 35 9.487 12.954 -0.898 1.00 0.00 C ATOM 679 CG ASP A 35 9.340 12.751 -2.396 1.00 0.00 C ATOM 680 OD1 ASP A 35 9.667 13.682 -3.163 1.00 0.00 O ATOM 681 OD2 ASP A 35 8.923 11.645 -2.809 1.00 0.00 O ATOM 0 H ASP A 35 9.555 13.607 1.475 1.00 0.00 H new ATOM 0 HA ASP A 35 9.265 15.090 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.547 12.957 -0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.036 12.108 -0.379 1.00 0.00 H new ATOM 686 N VAL A 36 6.585 13.980 0.441 1.00 0.00 N ATOM 687 CA VAL A 36 5.126 13.939 0.368 1.00 0.00 C ATOM 688 C VAL A 36 4.566 15.297 -0.037 1.00 0.00 C ATOM 689 O VAL A 36 3.618 15.384 -0.817 1.00 0.00 O ATOM 690 CB VAL A 36 4.498 13.511 1.717 1.00 0.00 C ATOM 691 CG1 VAL A 36 2.978 13.576 1.663 1.00 0.00 C ATOM 692 CG2 VAL A 36 4.949 12.110 2.098 1.00 0.00 C ATOM 0 H VAL A 36 6.963 13.797 1.370 1.00 0.00 H new ATOM 0 HA VAL A 36 4.866 13.198 -0.388 1.00 0.00 H new ATOM 0 HB VAL A 36 4.842 14.211 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.566 13.270 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.665 14.597 1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.613 12.908 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.497 11.828 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.639 11.406 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.035 12.090 2.193 1.00 0.00 H new ATOM 782 N SER A 43 0.611 7.774 -8.633 1.00 0.00 N ATOM 783 CA SER A 43 -0.041 7.218 -7.456 1.00 0.00 C ATOM 784 C SER A 43 -0.798 5.952 -7.829 1.00 0.00 C ATOM 785 O SER A 43 -0.937 5.629 -9.008 1.00 0.00 O ATOM 786 CB SER A 43 -1.008 8.236 -6.850 1.00 0.00 C ATOM 787 OG SER A 43 -0.324 9.393 -6.401 1.00 0.00 O ATOM 0 HA SER A 43 0.724 6.976 -6.718 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.755 8.518 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.543 7.781 -6.016 1.00 0.00 H new ATOM 0 HG SER A 43 0.475 9.534 -6.950 1.00 0.00 H new ATOM 793 N ILE A 44 -1.301 5.253 -6.823 1.00 0.00 N ATOM 794 CA ILE A 44 -2.060 4.035 -7.039 1.00 0.00 C ATOM 795 C ILE A 44 -3.521 4.264 -6.682 1.00 0.00 C ATOM 796 O ILE A 44 -3.848 4.634 -5.557 1.00 0.00 O ATOM 797 CB ILE A 44 -1.517 2.856 -6.195 1.00 0.00 C ATOM 798 CG1 ILE A 44 -0.043 2.591 -6.522 1.00 0.00 C ATOM 799 CG2 ILE A 44 -2.354 1.604 -6.439 1.00 0.00 C ATOM 800 CD1 ILE A 44 0.583 1.514 -5.660 1.00 0.00 C ATOM 0 H ILE A 44 -1.195 5.513 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.962 3.776 -8.093 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.588 3.122 -5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.042 2.302 -7.570 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.520 3.516 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.962 0.782 -5.840 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.389 1.798 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.310 1.337 -7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.626 1.379 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.530 1.810 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.044 0.577 -5.800 1.00 0.00 H new ATOM 812 N LYS A 45 -4.394 4.057 -7.648 1.00 0.00 N ATOM 813 CA LYS A 45 -5.820 4.205 -7.423 1.00 0.00 C ATOM 814 C LYS A 45 -6.397 2.910 -6.864 1.00 0.00 C ATOM 815 O LYS A 45 -6.452 1.904 -7.561 1.00 0.00 O ATOM 816 CB LYS A 45 -6.532 4.578 -8.728 1.00 0.00 C ATOM 817 CG LYS A 45 -8.030 4.334 -8.679 1.00 0.00 C ATOM 818 CD LYS A 45 -8.714 4.631 -10.004 1.00 0.00 C ATOM 819 CE LYS A 45 -8.659 6.109 -10.347 1.00 0.00 C ATOM 820 NZ LYS A 45 -9.450 6.426 -11.565 1.00 0.00 N ATOM 0 H LYS A 45 -4.141 3.785 -8.598 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.978 5.005 -6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.348 5.630 -8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.102 4.001 -9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.217 3.296 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.470 4.956 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.236 4.056 -10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.754 4.307 -9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.038 6.691 -9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.622 6.408 -10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.386 7.445 -11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.073 5.890 -12.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.445 6.165 -11.411 1.00 0.00 H new ATOM 834 N MET A 46 -6.833 2.940 -5.610 1.00 0.00 N ATOM 835 CA MET A 46 -7.383 1.747 -4.973 1.00 0.00 C ATOM 836 C MET A 46 -8.693 1.328 -5.620 1.00 0.00 C ATOM 837 O MET A 46 -9.030 0.158 -5.632 1.00 0.00 O ATOM 838 CB MET A 46 -7.597 1.959 -3.479 1.00 0.00 C ATOM 839 CG MET A 46 -6.305 2.026 -2.683 1.00 0.00 C ATOM 840 SD MET A 46 -5.261 0.580 -2.936 1.00 0.00 S ATOM 841 CE MET A 46 -6.343 -0.702 -2.319 1.00 0.00 C ATOM 0 H MET A 46 -6.817 3.770 -5.017 1.00 0.00 H new ATOM 0 HA MET A 46 -6.651 0.951 -5.111 1.00 0.00 H new ATOM 0 HB2 MET A 46 -8.155 2.883 -3.328 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.212 1.148 -3.090 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.753 2.922 -2.967 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.540 2.119 -1.623 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.809 -1.652 -2.304 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.665 -0.451 -1.309 1.00 0.00 H new ATOM 0 HE3 MET A 46 -7.215 -0.786 -2.968 1.00 0.00 H new ATOM 851 N ALA A 47 -9.420 2.285 -6.179 1.00 0.00 N ATOM 852 CA ALA A 47 -10.694 1.989 -6.829 1.00 0.00 C ATOM 853 C ALA A 47 -10.505 1.085 -8.050 1.00 0.00 C ATOM 854 O ALA A 47 -11.464 0.509 -8.560 1.00 0.00 O ATOM 855 CB ALA A 47 -11.399 3.276 -7.225 1.00 0.00 C ATOM 0 H ALA A 47 -9.153 3.269 -6.197 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.316 1.453 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.347 3.038 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.586 3.877 -6.335 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.770 3.837 -7.916 1.00 0.00 H new ATOM 861 N VAL A 48 -9.266 0.977 -8.517 1.00 0.00 N ATOM 862 CA VAL A 48 -8.940 0.134 -9.660 1.00 0.00 C ATOM 863 C VAL A 48 -7.824 -0.854 -9.285 1.00 0.00 C ATOM 864 O VAL A 48 -7.326 -1.614 -10.119 1.00 0.00 O ATOM 865 CB VAL A 48 -8.509 1.006 -10.860 1.00 0.00 C ATOM 866 CG1 VAL A 48 -7.127 1.591 -10.635 1.00 0.00 C ATOM 867 CG2 VAL A 48 -8.568 0.236 -12.166 1.00 0.00 C ATOM 0 H VAL A 48 -8.466 1.467 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.826 -0.433 -9.945 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.220 1.829 -10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.846 2.201 -11.494 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.135 2.210 -9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.406 0.783 -10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.257 0.885 -12.985 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.901 -0.624 -12.112 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.588 -0.106 -12.341 1.00 0.00 H new ATOM 877 N CYS A 49 -7.447 -0.834 -8.015 1.00 0.00 N ATOM 878 CA CYS A 49 -6.369 -1.672 -7.508 1.00 0.00 C ATOM 879 C CYS A 49 -6.847 -2.503 -6.328 1.00 0.00 C ATOM 880 O CYS A 49 -7.397 -1.974 -5.364 1.00 0.00 O ATOM 881 CB CYS A 49 -5.174 -0.811 -7.085 1.00 0.00 C ATOM 882 SG CYS A 49 -3.877 -1.714 -6.206 1.00 0.00 S ATOM 0 H CYS A 49 -7.878 -0.238 -7.308 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.057 -2.343 -8.308 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.741 -0.350 -7.973 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.532 -0.002 -6.448 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.725 -1.159 -6.442 1.00 0.00 H new ATOM 888 N GLU A 50 -6.621 -3.800 -6.391 1.00 0.00 N ATOM 889 CA GLU A 50 -7.029 -4.676 -5.315 1.00 0.00 C ATOM 890 C GLU A 50 -5.938 -4.809 -4.268 1.00 0.00 C ATOM 891 O GLU A 50 -4.769 -5.030 -4.583 1.00 0.00 O ATOM 892 CB GLU A 50 -7.406 -6.069 -5.825 1.00 0.00 C ATOM 893 CG GLU A 50 -8.757 -6.133 -6.512 1.00 0.00 C ATOM 894 CD GLU A 50 -9.454 -7.453 -6.255 1.00 0.00 C ATOM 895 OE1 GLU A 50 -10.089 -7.583 -5.188 1.00 0.00 O ATOM 896 OE2 GLU A 50 -9.347 -8.372 -7.094 1.00 0.00 O ATOM 0 H GLU A 50 -6.160 -4.267 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.909 -4.219 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.640 -6.409 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.404 -6.764 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.384 -5.315 -6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.627 -5.993 -7.585 1.00 0.00 H new ATOM 903 N ILE A 51 -6.340 -4.674 -3.021 1.00 0.00 N ATOM 904 CA ILE A 51 -5.488 -5.012 -1.900 1.00 0.00 C ATOM 905 C ILE A 51 -5.870 -6.408 -1.447 1.00 0.00 C ATOM 906 O ILE A 51 -7.038 -6.685 -1.162 1.00 0.00 O ATOM 907 CB ILE A 51 -5.638 -3.994 -0.739 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.039 -4.518 0.579 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.100 -3.619 -0.546 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.524 -4.544 0.622 1.00 0.00 C ATOM 0 H ILE A 51 -7.263 -4.328 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.442 -4.978 -2.205 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.074 -3.104 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.401 -3.897 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.411 -5.527 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.187 -2.904 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.485 -3.171 -1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.677 -4.513 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.194 -4.927 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.148 -5.189 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.139 -3.534 0.482 1.00 0.00 H new ATOM 922 N LYS A 52 -4.907 -7.301 -1.433 1.00 0.00 N ATOM 923 CA LYS A 52 -5.209 -8.696 -1.188 1.00 0.00 C ATOM 924 C LYS A 52 -5.265 -8.956 0.305 1.00 0.00 C ATOM 925 O LYS A 52 -4.242 -8.958 0.989 1.00 0.00 O ATOM 926 CB LYS A 52 -4.164 -9.594 -1.856 1.00 0.00 C ATOM 927 CG LYS A 52 -3.856 -9.194 -3.291 1.00 0.00 C ATOM 928 CD LYS A 52 -5.043 -9.381 -4.222 1.00 0.00 C ATOM 929 CE LYS A 52 -5.204 -10.828 -4.660 1.00 0.00 C ATOM 930 NZ LYS A 52 -3.945 -11.388 -5.227 1.00 0.00 N ATOM 0 H LYS A 52 -3.920 -7.093 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.182 -8.930 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.244 -9.565 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.518 -10.625 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.543 -8.150 -3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.017 -9.786 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.953 -9.051 -3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.917 -8.749 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.516 -11.431 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.997 -10.894 -5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.176 -12.074 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.373 -10.618 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.407 -11.863 -4.475 1.00 0.00 H new ATOM 944 N VAL A 53 -6.473 -9.171 0.801 1.00 0.00 N ATOM 945 CA VAL A 53 -6.691 -9.406 2.212 1.00 0.00 C ATOM 946 C VAL A 53 -7.651 -10.573 2.400 1.00 0.00 C ATOM 947 O VAL A 53 -8.857 -10.435 2.189 1.00 0.00 O ATOM 948 CB VAL A 53 -7.259 -8.138 2.905 1.00 0.00 C ATOM 949 CG1 VAL A 53 -7.585 -8.419 4.364 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.279 -6.979 2.794 1.00 0.00 C ATOM 0 H VAL A 53 -7.323 -9.187 0.237 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.732 -9.647 2.672 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.181 -7.860 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.981 -7.516 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.328 -9.214 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.680 -8.728 4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.697 -6.101 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.339 -7.251 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.099 -6.754 1.743 1.00 0.00 H new ATOM 1025 N THR A 59 1.678 -9.368 8.798 1.00 0.00 N ATOM 1026 CA THR A 59 2.259 -8.459 7.806 1.00 0.00 C ATOM 1027 C THR A 59 1.943 -8.931 6.380 1.00 0.00 C ATOM 1028 O THR A 59 0.898 -9.531 6.149 1.00 0.00 O ATOM 1029 CB THR A 59 3.793 -8.290 7.985 1.00 0.00 C ATOM 1030 OG1 THR A 59 4.507 -9.460 7.555 1.00 0.00 O ATOM 1031 CG2 THR A 59 4.134 -8.014 9.436 1.00 0.00 C ATOM 0 HA THR A 59 1.800 -7.484 7.969 1.00 0.00 H new ATOM 0 HB THR A 59 4.096 -7.445 7.366 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.468 -9.271 7.543 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.213 -7.899 9.541 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.638 -7.098 9.758 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.796 -8.846 10.054 1.00 0.00 H new ATOM 1039 N ARG A 60 2.862 -8.630 5.456 1.00 0.00 N ATOM 1040 CA ARG A 60 2.831 -9.080 4.051 1.00 0.00 C ATOM 1041 C ARG A 60 1.438 -9.168 3.403 1.00 0.00 C ATOM 1042 O ARG A 60 0.712 -10.150 3.562 1.00 0.00 O ATOM 1043 CB ARG A 60 3.561 -10.415 3.941 1.00 0.00 C ATOM 1044 CG ARG A 60 3.010 -11.509 4.839 1.00 0.00 C ATOM 1045 CD ARG A 60 4.080 -12.540 5.116 1.00 0.00 C ATOM 1046 NE ARG A 60 3.525 -13.825 5.532 1.00 0.00 N ATOM 1047 CZ ARG A 60 4.254 -14.926 5.698 1.00 0.00 C ATOM 1048 NH1 ARG A 60 5.575 -14.875 5.580 1.00 0.00 N ATOM 1049 NH2 ARG A 60 3.661 -16.079 5.976 1.00 0.00 N ATOM 0 H ARG A 60 3.674 -8.050 5.667 1.00 0.00 H new ATOM 0 HA ARG A 60 3.335 -8.300 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.517 -10.755 2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.613 -10.261 4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.658 -11.078 5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.151 -11.983 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.684 -12.682 4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.747 -12.167 5.894 1.00 0.00 H new ATOM 0 HE ARG A 60 2.521 -13.882 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.034 -13.991 5.362 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.131 -15.720 5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.646 -16.122 6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.220 -16.923 6.103 1.00 0.00 H new ATOM 1063 N MET A 61 1.099 -8.148 2.626 1.00 0.00 N ATOM 1064 CA MET A 61 -0.120 -8.153 1.833 1.00 0.00 C ATOM 1065 C MET A 61 0.166 -7.563 0.446 1.00 0.00 C ATOM 1066 O MET A 61 1.137 -6.825 0.268 1.00 0.00 O ATOM 1067 CB MET A 61 -1.265 -7.422 2.562 1.00 0.00 C ATOM 1068 CG MET A 61 -1.064 -5.945 2.820 1.00 0.00 C ATOM 1069 SD MET A 61 0.318 -5.569 3.906 1.00 0.00 S ATOM 1070 CE MET A 61 -0.006 -3.836 4.120 1.00 0.00 C ATOM 0 H MET A 61 1.658 -7.300 2.529 1.00 0.00 H new ATOM 0 HA MET A 61 -0.456 -9.181 1.697 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.176 -7.546 1.977 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.431 -7.916 3.519 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.911 -5.439 1.867 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.976 -5.536 3.256 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.544 -3.467 4.986 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.313 -3.294 3.230 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.074 -3.682 4.276 1.00 0.00 H new ATOM 1080 N GLU A 62 -0.666 -7.898 -0.534 1.00 0.00 N ATOM 1081 CA GLU A 62 -0.352 -7.619 -1.939 1.00 0.00 C ATOM 1082 C GLU A 62 -1.264 -6.545 -2.520 1.00 0.00 C ATOM 1083 O GLU A 62 -2.440 -6.456 -2.171 1.00 0.00 O ATOM 1084 CB GLU A 62 -0.490 -8.910 -2.762 1.00 0.00 C ATOM 1085 CG GLU A 62 -0.477 -8.708 -4.278 1.00 0.00 C ATOM 1086 CD GLU A 62 -0.906 -9.954 -5.024 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -0.297 -11.021 -4.807 1.00 0.00 O ATOM 1088 OE2 GLU A 62 -1.887 -9.879 -5.796 1.00 0.00 O ATOM 0 H GLU A 62 -1.562 -8.362 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 62 0.672 -7.250 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.322 -9.585 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.421 -9.404 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.141 -7.884 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.526 -8.423 -4.596 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.694 -5.718 -3.387 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.444 -4.716 -4.122 1.00 0.00 C ATOM 1097 C LEU A 63 -1.362 -5.013 -5.615 1.00 0.00 C ATOM 1098 O LEU A 63 -0.270 -5.086 -6.187 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.886 -3.316 -3.838 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.398 -2.635 -2.561 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.897 -2.404 -2.645 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.062 -3.459 -1.326 1.00 0.00 C ATOM 0 H LEU A 63 0.304 -5.726 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.485 -4.747 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.200 -3.384 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.120 -2.674 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.897 -1.671 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.242 -1.920 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.119 -1.765 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.406 -3.360 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.437 -2.952 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.527 -4.441 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.019 -3.575 -1.249 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.510 -5.190 -6.242 1.00 0.00 N ATOM 1115 CA ILE A 64 -2.553 -5.506 -7.658 1.00 0.00 C ATOM 1116 C ILE A 64 -3.399 -4.483 -8.417 1.00 0.00 C ATOM 1117 O ILE A 64 -4.606 -4.358 -8.210 1.00 0.00 O ATOM 1118 CB ILE A 64 -3.057 -6.958 -7.895 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -3.591 -7.152 -9.324 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -4.103 -7.353 -6.863 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -2.544 -6.992 -10.409 1.00 0.00 C ATOM 0 H ILE A 64 -3.424 -5.121 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.537 -5.450 -8.050 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.199 -7.620 -7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.030 -8.146 -9.403 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.392 -6.435 -9.500 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.436 -8.373 -7.055 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.669 -7.294 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.954 -6.675 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.005 -7.145 -11.385 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.121 -5.989 -10.361 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.753 -7.727 -10.262 1.00 0.00 H new ATOM 1133 N ILE A 65 -2.727 -3.758 -9.302 1.00 0.00 N ATOM 1134 CA ILE A 65 -3.325 -2.698 -10.088 1.00 0.00 C ATOM 1135 C ILE A 65 -2.905 -2.859 -11.548 1.00 0.00 C ATOM 1136 O ILE A 65 -1.714 -2.834 -11.856 1.00 0.00 O ATOM 1137 CB ILE A 65 -2.877 -1.314 -9.532 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -2.873 -0.220 -10.604 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -1.492 -1.423 -8.905 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -4.214 0.050 -11.242 1.00 0.00 C ATOM 0 H ILE A 65 -1.735 -3.896 -9.494 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.412 -2.756 -10.025 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.607 -1.026 -8.776 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.507 0.704 -10.157 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.165 -0.499 -11.385 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.189 -0.449 -8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.518 -2.144 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.777 -1.754 -9.658 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.110 0.839 -11.987 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.577 -0.858 -11.723 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.924 0.364 -10.477 1.00 0.00 H new ATOM 1152 N PRO A 66 -3.866 -3.053 -12.462 1.00 0.00 N ATOM 1153 CA PRO A 66 -3.567 -3.229 -13.880 1.00 0.00 C ATOM 1154 C PRO A 66 -2.851 -2.016 -14.463 1.00 0.00 C ATOM 1155 O PRO A 66 -3.442 -0.949 -14.636 1.00 0.00 O ATOM 1156 CB PRO A 66 -4.938 -3.405 -14.530 1.00 0.00 C ATOM 1157 CG PRO A 66 -5.850 -3.795 -13.416 1.00 0.00 C ATOM 1158 CD PRO A 66 -5.313 -3.108 -12.194 1.00 0.00 C ATOM 0 HA PRO A 66 -2.900 -4.074 -14.052 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.270 -2.482 -15.006 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.912 -4.172 -15.304 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.874 -3.485 -13.622 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.865 -4.877 -13.283 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.740 -2.113 -12.069 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.535 -3.667 -11.285 1.00 0.00 H new ATOM 1166 N GLY A 67 -1.576 -2.196 -14.747 1.00 0.00 N ATOM 1167 CA GLY A 67 -0.747 -1.120 -15.242 1.00 0.00 C ATOM 1168 C GLY A 67 0.632 -1.171 -14.625 1.00 0.00 C ATOM 1169 O GLY A 67 1.619 -1.431 -15.309 1.00 0.00 O ATOM 0 H GLY A 67 -1.090 -3.087 -14.641 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.667 -1.188 -16.327 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.215 -0.162 -15.016 1.00 0.00 H new ATOM 1173 N GLU A 68 0.694 -0.940 -13.321 1.00 0.00 N ATOM 1174 CA GLU A 68 1.946 -1.048 -12.582 1.00 0.00 C ATOM 1175 C GLU A 68 2.036 -2.406 -11.894 1.00 0.00 C ATOM 1176 O GLU A 68 2.920 -3.198 -12.211 1.00 0.00 O ATOM 1177 CB GLU A 68 2.034 0.070 -11.553 1.00 0.00 C ATOM 1178 CG GLU A 68 2.252 1.433 -12.173 1.00 0.00 C ATOM 1179 CD GLU A 68 3.702 1.878 -12.108 1.00 0.00 C ATOM 1180 OE1 GLU A 68 4.568 1.220 -12.732 1.00 0.00 O ATOM 1181 OE2 GLU A 68 3.987 2.877 -11.418 1.00 0.00 O ATOM 0 H GLU A 68 -0.110 -0.676 -12.751 1.00 0.00 H new ATOM 0 HA GLU A 68 2.779 -0.956 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.116 0.088 -10.965 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.850 -0.143 -10.863 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.929 1.411 -13.214 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.628 2.165 -11.661 1.00 0.00 H new ATOM 1188 N GLN A 69 1.102 -2.652 -10.964 1.00 0.00 N ATOM 1189 CA GLN A 69 0.961 -3.931 -10.239 1.00 0.00 C ATOM 1190 C GLN A 69 2.280 -4.436 -9.651 1.00 0.00 C ATOM 1191 O GLN A 69 3.263 -3.701 -9.567 1.00 0.00 O ATOM 1192 CB GLN A 69 0.333 -5.013 -11.135 1.00 0.00 C ATOM 1193 CG GLN A 69 1.234 -5.509 -12.260 1.00 0.00 C ATOM 1194 CD GLN A 69 0.597 -6.606 -13.086 1.00 0.00 C ATOM 1195 OE1 GLN A 69 -0.621 -6.649 -13.251 1.00 0.00 O ATOM 1196 NE2 GLN A 69 1.417 -7.502 -13.611 1.00 0.00 N ATOM 0 H GLN A 69 0.409 -1.957 -10.687 1.00 0.00 H new ATOM 0 HA GLN A 69 0.293 -3.728 -9.402 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.051 -5.862 -10.513 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.585 -4.618 -11.570 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.488 -4.672 -12.911 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.168 -5.877 -11.835 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.422 -7.430 -13.450 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.044 -8.265 -14.177 1.00 0.00 H new ATOM 1205 N HIS A 70 2.263 -5.692 -9.193 1.00 0.00 N ATOM 1206 CA HIS A 70 3.459 -6.355 -8.683 1.00 0.00 C ATOM 1207 C HIS A 70 3.955 -5.655 -7.413 1.00 0.00 C ATOM 1208 O HIS A 70 5.139 -5.686 -7.083 1.00 0.00 O ATOM 1209 CB HIS A 70 4.536 -6.389 -9.784 1.00 0.00 C ATOM 1210 CG HIS A 70 5.753 -7.204 -9.464 1.00 0.00 C ATOM 1211 ND1 HIS A 70 5.741 -8.579 -9.352 1.00 0.00 N ATOM 1212 CD2 HIS A 70 7.033 -6.826 -9.253 1.00 0.00 C ATOM 1213 CE1 HIS A 70 6.961 -9.005 -9.086 1.00 0.00 C ATOM 1214 NE2 HIS A 70 7.766 -7.962 -9.024 1.00 0.00 N ATOM 0 H HIS A 70 1.424 -6.271 -9.167 1.00 0.00 H new ATOM 0 HA HIS A 70 3.224 -7.384 -8.410 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.087 -6.780 -10.697 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.849 -5.366 -9.995 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.410 -5.814 -9.263 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.252 -10.035 -8.943 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.768 -7.995 -8.837 1.00 0.00 H new ATOM 1223 N PHE A 71 3.027 -5.038 -6.693 1.00 0.00 N ATOM 1224 CA PHE A 71 3.365 -4.342 -5.466 1.00 0.00 C ATOM 1225 C PHE A 71 3.178 -5.259 -4.270 1.00 0.00 C ATOM 1226 O PHE A 71 2.059 -5.639 -3.921 1.00 0.00 O ATOM 1227 CB PHE A 71 2.520 -3.074 -5.298 1.00 0.00 C ATOM 1228 CG PHE A 71 2.838 -1.998 -6.299 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.051 -1.326 -6.249 1.00 0.00 C ATOM 1230 CD2 PHE A 71 1.928 -1.658 -7.284 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.346 -0.335 -7.165 1.00 0.00 C ATOM 1232 CE2 PHE A 71 2.219 -0.666 -8.202 1.00 0.00 C ATOM 1233 CZ PHE A 71 3.429 -0.006 -8.145 1.00 0.00 C ATOM 0 H PHE A 71 2.038 -5.007 -6.940 1.00 0.00 H new ATOM 0 HA PHE A 71 4.412 -4.046 -5.525 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.466 -3.337 -5.383 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.670 -2.679 -4.293 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.772 -1.580 -5.486 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.980 -2.173 -7.336 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.293 0.182 -7.115 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.499 -0.408 -8.964 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.659 0.766 -8.864 1.00 0.00 H new ATOM 1243 N TYR A 72 4.284 -5.619 -3.656 1.00 0.00 N ATOM 1244 CA TYR A 72 4.259 -6.420 -2.452 1.00 0.00 C ATOM 1245 C TYR A 72 4.661 -5.535 -1.289 1.00 0.00 C ATOM 1246 O TYR A 72 5.745 -4.952 -1.289 1.00 0.00 O ATOM 1247 CB TYR A 72 5.222 -7.598 -2.586 1.00 0.00 C ATOM 1248 CG TYR A 72 5.036 -8.695 -1.559 1.00 0.00 C ATOM 1249 CD1 TYR A 72 3.981 -9.595 -1.658 1.00 0.00 C ATOM 1250 CD2 TYR A 72 5.932 -8.847 -0.506 1.00 0.00 C ATOM 1251 CE1 TYR A 72 3.822 -10.611 -0.735 1.00 0.00 C ATOM 1252 CE2 TYR A 72 5.783 -9.866 0.418 1.00 0.00 C ATOM 1253 CZ TYR A 72 4.727 -10.744 0.298 1.00 0.00 C ATOM 1254 OH TYR A 72 4.578 -11.767 1.210 1.00 0.00 O ATOM 0 H TYR A 72 5.220 -5.367 -3.975 1.00 0.00 H new ATOM 0 HA TYR A 72 3.259 -6.821 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.109 -8.029 -3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.243 -7.223 -2.515 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.275 -9.499 -2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.758 -8.158 -0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.993 -11.298 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.489 -9.973 1.228 1.00 0.00 H new ATOM 0 HH TYR A 72 5.298 -11.721 1.873 1.00 0.00 H new ATOM 1264 N MET A 73 3.785 -5.417 -0.315 1.00 0.00 N ATOM 1265 CA MET A 73 4.021 -4.523 0.805 1.00 0.00 C ATOM 1266 C MET A 73 3.997 -5.305 2.106 1.00 0.00 C ATOM 1267 O MET A 73 3.156 -6.183 2.304 1.00 0.00 O ATOM 1268 CB MET A 73 2.964 -3.398 0.823 1.00 0.00 C ATOM 1269 CG MET A 73 3.084 -2.437 -0.357 1.00 0.00 C ATOM 1270 SD MET A 73 1.604 -1.431 -0.645 1.00 0.00 S ATOM 1271 CE MET A 73 1.753 -0.151 0.601 1.00 0.00 C ATOM 0 H MET A 73 2.903 -5.927 -0.273 1.00 0.00 H new ATOM 0 HA MET A 73 5.004 -4.065 0.694 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.969 -3.844 0.820 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.058 -2.835 1.752 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.933 -1.775 -0.188 1.00 0.00 H new ATOM 0 HG3 MET A 73 3.302 -3.010 -1.258 1.00 0.00 H new ATOM 0 HE1 MET A 73 1.151 0.710 0.311 1.00 0.00 H new ATOM 0 HE2 MET A 73 1.402 -0.533 1.559 1.00 0.00 H new ATOM 0 HE3 MET A 73 2.797 0.149 0.691 1.00 0.00 H new ATOM 1281 N LYS A 74 4.938 -5.005 2.986 1.00 0.00 N ATOM 1282 CA LYS A 74 4.983 -5.645 4.285 1.00 0.00 C ATOM 1283 C LYS A 74 5.165 -4.593 5.358 1.00 0.00 C ATOM 1284 O LYS A 74 6.022 -3.723 5.242 1.00 0.00 O ATOM 1285 CB LYS A 74 6.115 -6.676 4.348 1.00 0.00 C ATOM 1286 CG LYS A 74 6.236 -7.380 5.691 1.00 0.00 C ATOM 1287 CD LYS A 74 7.388 -8.378 5.709 1.00 0.00 C ATOM 1288 CE LYS A 74 7.192 -9.479 4.678 1.00 0.00 C ATOM 1289 NZ LYS A 74 8.279 -10.495 4.722 1.00 0.00 N ATOM 0 H LYS A 74 5.679 -4.323 2.823 1.00 0.00 H new ATOM 0 HA LYS A 74 4.043 -6.172 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.956 -7.423 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.059 -6.179 4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.385 -6.639 6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.303 -7.898 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.325 -7.857 5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.472 -8.820 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.233 -9.968 4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.150 -9.038 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.102 -11.224 4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.192 -10.035 4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.304 -10.937 5.663 1.00 0.00 H new ATOM 1303 N ALA A 75 4.320 -4.646 6.366 1.00 0.00 N ATOM 1304 CA ALA A 75 4.411 -3.727 7.479 1.00 0.00 C ATOM 1305 C ALA A 75 5.346 -4.281 8.545 1.00 0.00 C ATOM 1306 O ALA A 75 5.852 -5.394 8.404 1.00 0.00 O ATOM 1307 CB ALA A 75 3.030 -3.478 8.051 1.00 0.00 C ATOM 0 H ALA A 75 3.558 -5.320 6.437 1.00 0.00 H new ATOM 0 HA ALA A 75 4.820 -2.779 7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.103 -2.785 8.889 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.389 -3.049 7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.603 -4.420 8.395 1.00 0.00 H new ATOM 1313 N VAL A 76 5.567 -3.512 9.605 1.00 0.00 N ATOM 1314 CA VAL A 76 6.460 -3.924 10.685 1.00 0.00 C ATOM 1315 C VAL A 76 5.997 -5.237 11.311 1.00 0.00 C ATOM 1316 O VAL A 76 6.729 -6.227 11.319 1.00 0.00 O ATOM 1317 CB VAL A 76 6.548 -2.842 11.780 1.00 0.00 C ATOM 1318 CG1 VAL A 76 7.478 -3.281 12.901 1.00 0.00 C ATOM 1319 CG2 VAL A 76 7.005 -1.519 11.190 1.00 0.00 C ATOM 0 H VAL A 76 5.139 -2.596 9.741 1.00 0.00 H new ATOM 0 HA VAL A 76 7.448 -4.066 10.246 1.00 0.00 H new ATOM 0 HB VAL A 76 5.552 -2.703 12.201 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.524 -2.502 13.662 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.101 -4.201 13.347 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.476 -3.455 12.499 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.061 -0.769 11.979 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.989 -1.643 10.737 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.294 -1.195 10.430 1.00 0.00 H new ATOM 1329 N ASN A 77 4.779 -5.239 11.832 1.00 0.00 N ATOM 1330 CA ASN A 77 4.208 -6.440 12.424 1.00 0.00 C ATOM 1331 C ASN A 77 2.755 -6.599 11.993 1.00 0.00 C ATOM 1332 O ASN A 77 2.229 -5.750 11.270 1.00 0.00 O ATOM 1333 CB ASN A 77 4.319 -6.410 13.953 1.00 0.00 C ATOM 1334 CG ASN A 77 3.511 -5.298 14.593 1.00 0.00 C ATOM 1335 OD1 ASN A 77 2.324 -5.456 14.864 1.00 0.00 O ATOM 1336 ND2 ASN A 77 4.155 -4.177 14.866 1.00 0.00 N ATOM 0 H ASN A 77 4.167 -4.423 11.857 1.00 0.00 H new ATOM 0 HA ASN A 77 4.775 -7.299 12.067 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.986 -7.368 14.353 1.00 0.00 H new ATOM 0 HB3 ASN A 77 5.366 -6.295 14.232 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.665 -3.405 15.318 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.142 -4.084 14.625 1.00 0.00 H new ATOM 1343 N ALA A 78 2.125 -7.691 12.407 1.00 0.00 N ATOM 1344 CA ALA A 78 0.748 -7.999 12.019 1.00 0.00 C ATOM 1345 C ALA A 78 -0.198 -6.819 12.269 1.00 0.00 C ATOM 1346 O ALA A 78 -1.043 -6.502 11.429 1.00 0.00 O ATOM 1347 CB ALA A 78 0.258 -9.221 12.779 1.00 0.00 C ATOM 0 H ALA A 78 2.549 -8.388 13.019 1.00 0.00 H new ATOM 0 HA ALA A 78 0.746 -8.203 10.948 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.768 -9.445 12.486 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.896 -10.074 12.547 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.294 -9.022 13.850 1.00 0.00 H new ATOM 1353 N ALA A 79 -0.047 -6.169 13.422 1.00 0.00 N ATOM 1354 CA ALA A 79 -0.876 -5.025 13.780 1.00 0.00 C ATOM 1355 C ALA A 79 -0.642 -3.861 12.825 1.00 0.00 C ATOM 1356 O ALA A 79 -1.584 -3.202 12.388 1.00 0.00 O ATOM 1357 CB ALA A 79 -0.589 -4.612 15.209 1.00 0.00 C ATOM 0 H ALA A 79 0.647 -6.419 14.126 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.924 -5.314 13.699 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.211 -3.756 15.472 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.811 -5.442 15.879 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.462 -4.340 15.305 1.00 0.00 H new ATOM 1363 N GLU A 80 0.620 -3.631 12.489 1.00 0.00 N ATOM 1364 CA GLU A 80 0.984 -2.603 11.522 1.00 0.00 C ATOM 1365 C GLU A 80 0.359 -2.915 10.166 1.00 0.00 C ATOM 1366 O GLU A 80 -0.123 -2.030 9.463 1.00 0.00 O ATOM 1367 CB GLU A 80 2.500 -2.517 11.403 1.00 0.00 C ATOM 1368 CG GLU A 80 3.170 -2.036 12.672 1.00 0.00 C ATOM 1369 CD GLU A 80 2.843 -0.595 12.997 1.00 0.00 C ATOM 1370 OE1 GLU A 80 3.495 0.301 12.435 1.00 0.00 O ATOM 1371 OE2 GLU A 80 1.929 -0.361 13.813 1.00 0.00 O ATOM 0 H GLU A 80 1.413 -4.145 12.874 1.00 0.00 H new ATOM 0 HA GLU A 80 0.605 -1.640 11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.894 -3.499 11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.756 -1.843 10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.862 -2.670 13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.250 -2.145 12.571 1.00 0.00 H new ATOM 1378 N ARG A 81 0.364 -4.197 9.821 1.00 0.00 N ATOM 1379 CA ARG A 81 -0.301 -4.682 8.617 1.00 0.00 C ATOM 1380 C ARG A 81 -1.780 -4.332 8.671 1.00 0.00 C ATOM 1381 O ARG A 81 -2.358 -3.859 7.697 1.00 0.00 O ATOM 1382 CB ARG A 81 -0.140 -6.199 8.512 1.00 0.00 C ATOM 1383 CG ARG A 81 -0.927 -6.823 7.371 1.00 0.00 C ATOM 1384 CD ARG A 81 -1.516 -8.165 7.782 1.00 0.00 C ATOM 1385 NE ARG A 81 -2.444 -8.019 8.911 1.00 0.00 N ATOM 1386 CZ ARG A 81 -2.955 -9.039 9.608 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -2.625 -10.289 9.308 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -3.799 -8.806 10.610 1.00 0.00 N ATOM 0 H ARG A 81 0.826 -4.926 10.364 1.00 0.00 H new ATOM 0 HA ARG A 81 0.152 -4.210 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.916 -6.435 8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.456 -6.654 9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.727 -6.149 7.066 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.276 -6.957 6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.038 -8.610 6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.712 -8.849 8.056 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.717 -7.074 9.182 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.978 -10.476 8.542 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.018 -11.063 9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.057 -7.848 10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.188 -9.585 11.141 1.00 0.00 H new ATOM 1402 N GLN A 82 -2.373 -4.556 9.836 1.00 0.00 N ATOM 1403 CA GLN A 82 -3.790 -4.315 10.048 1.00 0.00 C ATOM 1404 C GLN A 82 -4.124 -2.836 9.855 1.00 0.00 C ATOM 1405 O GLN A 82 -5.207 -2.506 9.390 1.00 0.00 O ATOM 1406 CB GLN A 82 -4.189 -4.781 11.451 1.00 0.00 C ATOM 1407 CG GLN A 82 -5.689 -4.772 11.712 1.00 0.00 C ATOM 1408 CD GLN A 82 -6.459 -5.626 10.723 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -6.625 -6.828 10.920 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -6.942 -5.005 9.658 1.00 0.00 N ATOM 0 H GLN A 82 -1.884 -4.909 10.658 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.357 -4.884 9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.811 -5.792 11.606 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.700 -4.141 12.186 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.880 -5.132 12.723 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.056 -3.747 11.664 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.781 -4.006 9.534 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.475 -5.526 8.962 1.00 0.00 H new ATOM 1419 N ARG A 83 -3.188 -1.954 10.200 1.00 0.00 N ATOM 1420 CA ARG A 83 -3.391 -0.514 10.038 1.00 0.00 C ATOM 1421 C ARG A 83 -3.565 -0.156 8.567 1.00 0.00 C ATOM 1422 O ARG A 83 -4.477 0.580 8.192 1.00 0.00 O ATOM 1423 CB ARG A 83 -2.193 0.250 10.594 1.00 0.00 C ATOM 1424 CG ARG A 83 -1.921 -0.008 12.064 1.00 0.00 C ATOM 1425 CD ARG A 83 -0.617 0.633 12.501 1.00 0.00 C ATOM 1426 NE ARG A 83 -0.733 2.080 12.669 1.00 0.00 N ATOM 1427 CZ ARG A 83 0.177 2.822 13.304 1.00 0.00 C ATOM 1428 NH1 ARG A 83 1.289 2.264 13.766 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -0.019 4.125 13.464 1.00 0.00 N ATOM 0 H ARG A 83 -2.282 -2.210 10.593 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.293 -0.237 10.584 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.306 -0.018 10.019 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.357 1.318 10.448 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.742 0.386 12.663 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.880 -1.082 12.246 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.293 0.186 13.441 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.155 0.417 11.763 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.552 2.547 12.281 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.450 1.265 13.636 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.982 2.834 14.251 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.867 4.562 13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.678 4.690 13.950 1.00 0.00 H new ATOM 1443 N TRP A 84 -2.697 -0.710 7.734 1.00 0.00 N ATOM 1444 CA TRP A 84 -2.803 -0.525 6.294 1.00 0.00 C ATOM 1445 C TRP A 84 -4.042 -1.227 5.769 1.00 0.00 C ATOM 1446 O TRP A 84 -4.714 -0.739 4.873 1.00 0.00 O ATOM 1447 CB TRP A 84 -1.552 -1.049 5.587 1.00 0.00 C ATOM 1448 CG TRP A 84 -0.350 -0.196 5.835 1.00 0.00 C ATOM 1449 CD1 TRP A 84 0.638 -0.408 6.750 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.025 1.024 5.161 1.00 0.00 C ATOM 1451 NE1 TRP A 84 1.556 0.614 6.694 1.00 0.00 N ATOM 1452 CE2 TRP A 84 1.170 1.506 5.726 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -0.632 1.758 4.136 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 1.767 2.689 5.300 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.037 2.928 3.712 1.00 0.00 C ATOM 1456 CH2 TRP A 84 1.151 3.384 4.295 1.00 0.00 C ATOM 0 H TRP A 84 -1.912 -1.291 8.030 1.00 0.00 H new ATOM 0 HA TRP A 84 -2.888 0.542 6.087 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -1.347 -2.065 5.925 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.741 -1.101 4.515 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.692 -1.254 7.420 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.389 0.696 7.277 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.551 1.414 3.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.683 3.046 5.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.494 3.501 2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.592 4.305 3.944 1.00 0.00 H new ATOM 1467 N LEU A 85 -4.339 -2.369 6.358 1.00 0.00 N ATOM 1468 CA LEU A 85 -5.501 -3.158 5.986 1.00 0.00 C ATOM 1469 C LEU A 85 -6.806 -2.447 6.339 1.00 0.00 C ATOM 1470 O LEU A 85 -7.821 -2.674 5.702 1.00 0.00 O ATOM 1471 CB LEU A 85 -5.430 -4.555 6.604 1.00 0.00 C ATOM 1472 CG LEU A 85 -4.860 -5.636 5.681 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -3.543 -5.184 5.062 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -4.670 -6.929 6.453 1.00 0.00 C ATOM 0 H LEU A 85 -3.782 -2.778 7.109 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.491 -3.273 4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.819 -4.508 7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.432 -4.852 6.913 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.569 -5.809 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.159 -5.969 4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.707 -4.277 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.820 -4.982 5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.264 -7.693 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.979 -6.761 7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.630 -7.263 6.846 1.00 0.00 H new ATOM 1486 N VAL A 86 -6.802 -1.636 7.386 1.00 0.00 N ATOM 1487 CA VAL A 86 -7.958 -0.804 7.692 1.00 0.00 C ATOM 1488 C VAL A 86 -8.207 0.220 6.581 1.00 0.00 C ATOM 1489 O VAL A 86 -9.317 0.315 6.048 1.00 0.00 O ATOM 1490 CB VAL A 86 -7.773 -0.072 9.038 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -8.853 0.983 9.245 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -7.779 -1.068 10.185 1.00 0.00 C ATOM 0 H VAL A 86 -6.020 -1.536 8.033 1.00 0.00 H new ATOM 0 HA VAL A 86 -8.823 -1.463 7.765 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.808 0.435 9.016 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.696 1.482 10.202 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.803 1.717 8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.833 0.506 9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.648 -0.538 11.128 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.729 -1.602 10.198 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.964 -1.780 10.053 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.166 0.959 6.210 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.299 2.008 5.204 1.00 0.00 C ATOM 1504 C ALA A 87 -7.495 1.418 3.808 1.00 0.00 C ATOM 1505 O ALA A 87 -8.403 1.807 3.078 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.072 2.910 5.227 1.00 0.00 C ATOM 0 H ALA A 87 -6.225 0.852 6.589 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.183 2.598 5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.180 3.690 4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.975 3.368 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.182 2.319 5.013 1.00 0.00 H new ATOM 1512 N LEU A 88 -6.642 0.472 3.451 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.703 -0.190 2.153 1.00 0.00 C ATOM 1514 C LEU A 88 -7.878 -1.161 2.071 1.00 0.00 C ATOM 1515 O LEU A 88 -8.541 -1.267 1.043 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.392 -0.928 1.889 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.156 -0.028 1.813 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -2.887 -0.841 2.006 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.113 0.712 0.484 1.00 0.00 C ATOM 0 H LEU A 88 -5.887 0.140 4.051 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.853 0.574 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.240 -1.665 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.483 -1.478 0.952 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.221 0.706 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.021 -0.182 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.910 -1.325 2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.819 -1.599 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.227 1.346 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.075 -0.009 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.006 1.329 0.382 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.120 -1.864 3.167 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.154 -2.885 3.212 1.00 0.00 C ATOM 1533 C GLY A 89 -10.548 -2.327 3.045 1.00 0.00 C ATOM 1534 O GLY A 89 -11.436 -3.019 2.549 1.00 0.00 O ATOM 0 H GLY A 89 -7.610 -1.744 4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.966 -3.618 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.093 -3.414 4.163 1.00 0.00 H new ATOM 1538 N SER A 90 -10.754 -1.085 3.475 1.00 0.00 N ATOM 1539 CA SER A 90 -12.039 -0.427 3.283 1.00 0.00 C ATOM 1540 C SER A 90 -12.344 -0.330 1.789 1.00 0.00 C ATOM 1541 O SER A 90 -13.501 -0.368 1.368 1.00 0.00 O ATOM 1542 CB SER A 90 -12.036 0.967 3.923 1.00 0.00 C ATOM 1543 OG SER A 90 -11.076 1.815 3.312 1.00 0.00 O ATOM 0 H SER A 90 -10.053 -0.520 3.954 1.00 0.00 H new ATOM 0 HA SER A 90 -12.816 -1.017 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.027 1.412 3.833 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.821 0.880 4.988 1.00 0.00 H new ATOM 0 HG SER A 90 -10.181 1.435 3.431 1.00 0.00 H new ATOM 1549 N SER A 91 -11.283 -0.208 0.997 1.00 0.00 N ATOM 1550 CA SER A 91 -11.394 -0.215 -0.448 1.00 0.00 C ATOM 1551 C SER A 91 -11.754 -1.613 -0.956 1.00 0.00 C ATOM 1552 O SER A 91 -12.508 -1.750 -1.913 1.00 0.00 O ATOM 1553 CB SER A 91 -10.086 0.272 -1.081 1.00 0.00 C ATOM 1554 OG SER A 91 -10.214 0.420 -2.484 1.00 0.00 O ATOM 0 H SER A 91 -10.329 -0.102 1.342 1.00 0.00 H new ATOM 0 HA SER A 91 -12.194 0.466 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.799 1.225 -0.638 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.287 -0.436 -0.860 1.00 0.00 H new ATOM 0 HG SER A 91 -9.824 -0.360 -2.932 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.220 -2.654 -0.307 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.502 -4.015 -0.695 1.00 0.00 C ATOM 1562 C LYS A 92 -12.958 -4.368 -0.388 1.00 0.00 C ATOM 1563 O LYS A 92 -13.536 -5.273 -0.996 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.520 -4.934 0.032 1.00 0.00 C ATOM 1565 CG LYS A 92 -11.022 -6.340 0.280 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.211 -7.387 -0.475 1.00 0.00 C ATOM 1567 CE LYS A 92 -10.384 -7.252 -1.979 1.00 0.00 C ATOM 1568 NZ LYS A 92 -9.571 -8.243 -2.733 1.00 0.00 N ATOM 0 H LYS A 92 -10.590 -2.565 0.490 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.372 -4.141 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.600 -4.990 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.264 -4.482 0.990 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -10.982 -6.554 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.068 -6.408 -0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.156 -7.285 -0.219 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -10.520 -8.384 -0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.436 -7.379 -2.234 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.101 -6.245 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -9.947 -8.338 -3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.583 -7.921 -2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.614 -9.164 -2.253 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.546 -3.637 0.548 1.00 0.00 N ATOM 1583 CA ALA A 93 -14.949 -3.788 0.869 1.00 0.00 C ATOM 1584 C ALA A 93 -15.816 -3.152 -0.215 1.00 0.00 C ATOM 1585 O ALA A 93 -15.900 -1.926 -0.310 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.246 -3.163 2.221 1.00 0.00 C ATOM 0 H ALA A 93 -13.064 -2.928 1.100 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.184 -4.851 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.304 -3.282 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.649 -3.655 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.998 -2.102 2.194 1.00 0.00 H new