USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 436 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.06) USER MOD Single : B 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 114 THR OG1 : rot 175:sc= 1.56 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 128 HIS : no HD1:sc= -0.591 K(o=-0.59,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 8 12.157 -9.336 -5.802 1.00 0.00 N ATOM 101 CA LEU A 8 12.757 -10.659 -5.935 1.00 0.00 C ATOM 102 C LEU A 8 11.832 -11.602 -6.698 1.00 0.00 C ATOM 103 O LEU A 8 12.286 -12.424 -7.494 1.00 0.00 O ATOM 104 CB LEU A 8 13.069 -11.240 -4.554 1.00 0.00 C ATOM 105 CG LEU A 8 14.550 -11.326 -4.182 1.00 0.00 C ATOM 106 CD1 LEU A 8 15.302 -12.193 -5.180 1.00 0.00 C ATOM 107 CD2 LEU A 8 15.164 -9.936 -4.111 1.00 0.00 C ATOM 0 HA LEU A 8 13.685 -10.555 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.561 -10.634 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.642 -12.241 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 8 14.631 -11.788 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.354 -12.242 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.879 -13.198 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.213 -11.761 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.218 -10.017 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.071 -9.447 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.644 -9.347 -3.356 1.00 0.00 H new ATOM 119 N PHE A 9 10.532 -11.476 -6.452 1.00 0.00 N ATOM 120 CA PHE A 9 9.543 -12.316 -7.117 1.00 0.00 C ATOM 121 C PHE A 9 9.764 -12.324 -8.627 1.00 0.00 C ATOM 122 O PHE A 9 9.708 -13.374 -9.268 1.00 0.00 O ATOM 123 CB PHE A 9 8.129 -11.825 -6.799 1.00 0.00 C ATOM 124 CG PHE A 9 7.065 -12.853 -7.055 1.00 0.00 C ATOM 125 CD1 PHE A 9 6.945 -13.964 -6.235 1.00 0.00 C ATOM 126 CD2 PHE A 9 6.185 -12.710 -8.115 1.00 0.00 C ATOM 127 CE1 PHE A 9 5.968 -14.912 -6.469 1.00 0.00 C ATOM 128 CE2 PHE A 9 5.205 -13.655 -8.354 1.00 0.00 C ATOM 129 CZ PHE A 9 5.096 -14.757 -7.529 1.00 0.00 C ATOM 0 H PHE A 9 10.139 -10.800 -5.797 1.00 0.00 H new ATOM 0 HA PHE A 9 9.658 -13.334 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.085 -11.521 -5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.918 -10.939 -7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.623 -14.090 -5.404 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.266 -11.850 -8.763 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.886 -15.774 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.526 -13.532 -9.185 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.330 -15.496 -7.712 1.00 0.00 H new ATOM 139 N PHE A 10 10.013 -11.146 -9.188 1.00 0.00 N ATOM 140 CA PHE A 10 10.241 -11.016 -10.623 1.00 0.00 C ATOM 141 C PHE A 10 11.632 -11.515 -11.001 1.00 0.00 C ATOM 142 O PHE A 10 11.862 -11.949 -12.129 1.00 0.00 O ATOM 143 CB PHE A 10 10.075 -9.558 -11.057 1.00 0.00 C ATOM 144 CG PHE A 10 10.505 -9.302 -12.473 1.00 0.00 C ATOM 145 CD1 PHE A 10 11.818 -8.966 -12.763 1.00 0.00 C ATOM 146 CD2 PHE A 10 9.596 -9.395 -13.515 1.00 0.00 C ATOM 147 CE1 PHE A 10 12.217 -8.730 -14.065 1.00 0.00 C ATOM 148 CE2 PHE A 10 9.989 -9.161 -14.819 1.00 0.00 C ATOM 149 CZ PHE A 10 11.301 -8.826 -15.094 1.00 0.00 C ATOM 0 H PHE A 10 10.062 -10.268 -8.672 1.00 0.00 H new ATOM 0 HA PHE A 10 9.502 -11.629 -11.139 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.029 -9.271 -10.946 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.654 -8.920 -10.389 1.00 0.00 H new ATOM 0 HD1 PHE A 10 12.538 -8.888 -11.962 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.569 -9.653 -13.305 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.244 -8.471 -14.277 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.271 -9.240 -15.622 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.610 -8.640 -16.112 1.00 0.00 H new ATOM 159 N MET A 11 12.557 -11.450 -10.048 1.00 0.00 N ATOM 160 CA MET A 11 13.926 -11.896 -10.280 1.00 0.00 C ATOM 161 C MET A 11 13.987 -13.414 -10.418 1.00 0.00 C ATOM 162 O MET A 11 14.826 -13.947 -11.144 1.00 0.00 O ATOM 163 CB MET A 11 14.834 -11.438 -9.137 1.00 0.00 C ATOM 164 CG MET A 11 15.466 -10.076 -9.371 1.00 0.00 C ATOM 165 SD MET A 11 16.170 -9.370 -7.869 1.00 0.00 S ATOM 166 CE MET A 11 15.412 -7.747 -7.870 1.00 0.00 C ATOM 0 H MET A 11 12.383 -11.093 -9.108 1.00 0.00 H new ATOM 0 HA MET A 11 14.275 -11.451 -11.212 1.00 0.00 H new ATOM 0 HB2 MET A 11 14.255 -11.407 -8.214 1.00 0.00 H new ATOM 0 HB3 MET A 11 15.623 -12.176 -8.993 1.00 0.00 H new ATOM 0 HG2 MET A 11 16.247 -10.167 -10.126 1.00 0.00 H new ATOM 0 HG3 MET A 11 14.715 -9.395 -9.770 1.00 0.00 H new ATOM 0 HE1 MET A 11 15.750 -7.187 -6.998 1.00 0.00 H new ATOM 0 HE2 MET A 11 15.696 -7.213 -8.777 1.00 0.00 H new ATOM 0 HE3 MET A 11 14.328 -7.852 -7.835 1.00 0.00 H new ATOM 176 N ILE A 12 13.093 -14.103 -9.717 1.00 0.00 N ATOM 177 CA ILE A 12 13.047 -15.560 -9.762 1.00 0.00 C ATOM 178 C ILE A 12 12.288 -16.047 -10.992 1.00 0.00 C ATOM 179 O ILE A 12 12.827 -16.788 -11.812 1.00 0.00 O ATOM 180 CB ILE A 12 12.383 -16.141 -8.500 1.00 0.00 C ATOM 181 CG1 ILE A 12 13.234 -15.838 -7.265 1.00 0.00 C ATOM 182 CG2 ILE A 12 12.177 -17.641 -8.653 1.00 0.00 C ATOM 183 CD1 ILE A 12 12.514 -15.009 -6.224 1.00 0.00 C ATOM 0 H ILE A 12 12.391 -13.677 -9.112 1.00 0.00 H new ATOM 0 HA ILE A 12 14.079 -15.908 -9.813 1.00 0.00 H new ATOM 0 HB ILE A 12 11.408 -15.671 -8.371 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.552 -16.778 -6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.137 -15.312 -7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.707 -18.037 -7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.536 -17.834 -9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.141 -18.127 -8.803 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.177 -14.833 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.220 -14.054 -6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.626 -15.542 -5.885 1.00 0.00 H new ATOM 195 N ASN A 13 11.034 -15.623 -11.113 1.00 0.00 N ATOM 196 CA ASN A 13 10.201 -16.016 -12.244 1.00 0.00 C ATOM 197 C ASN A 13 10.919 -15.756 -13.565 1.00 0.00 C ATOM 198 O ASN A 13 11.062 -16.655 -14.394 1.00 0.00 O ATOM 199 CB ASN A 13 8.874 -15.255 -12.214 1.00 0.00 C ATOM 200 CG ASN A 13 7.679 -16.181 -12.093 1.00 0.00 C ATOM 201 OD1 ASN A 13 7.084 -16.580 -13.094 1.00 0.00 O ATOM 202 ND2 ASN A 13 7.322 -16.528 -10.861 1.00 0.00 N ATOM 0 H ASN A 13 10.573 -15.008 -10.443 1.00 0.00 H new ATOM 0 HA ASN A 13 10.002 -17.085 -12.163 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.877 -14.558 -11.376 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.779 -14.660 -13.122 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.526 -17.149 -10.717 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.844 -16.173 -10.060 1.00 0.00 H new ATOM 209 N THR A 14 11.370 -14.520 -13.754 1.00 0.00 N ATOM 210 CA THR A 14 12.073 -14.141 -14.973 1.00 0.00 C ATOM 211 C THR A 14 13.282 -15.038 -15.212 1.00 0.00 C ATOM 212 O THR A 14 13.728 -15.206 -16.347 1.00 0.00 O ATOM 213 CB THR A 14 12.539 -12.674 -14.920 1.00 0.00 C ATOM 214 OG1 THR A 14 12.718 -12.168 -16.248 1.00 0.00 O ATOM 215 CG2 THR A 14 13.842 -12.548 -14.144 1.00 0.00 C ATOM 0 H THR A 14 11.261 -13.764 -13.078 1.00 0.00 H new ATOM 0 HA THR A 14 11.367 -14.261 -15.795 1.00 0.00 H new ATOM 0 HB THR A 14 11.772 -12.091 -14.410 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.013 -11.234 -16.205 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.152 -11.503 -14.120 1.00 0.00 H new ATOM 0 HG22 THR A 14 13.695 -12.906 -13.125 1.00 0.00 H new ATOM 0 HG23 THR A 14 14.614 -13.144 -14.630 1.00 0.00 H new ATOM 223 N SER A 15 13.808 -15.613 -14.136 1.00 0.00 N ATOM 224 CA SER A 15 14.969 -16.492 -14.228 1.00 0.00 C ATOM 225 C SER A 15 14.599 -17.811 -14.899 1.00 0.00 C ATOM 226 O SER A 15 15.098 -18.132 -15.978 1.00 0.00 O ATOM 227 CB SER A 15 15.546 -16.758 -12.837 1.00 0.00 C ATOM 228 OG SER A 15 16.944 -16.981 -12.898 1.00 0.00 O ATOM 0 H SER A 15 13.449 -15.486 -13.190 1.00 0.00 H new ATOM 0 HA SER A 15 15.724 -15.994 -14.836 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.338 -15.909 -12.185 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.055 -17.626 -12.396 1.00 0.00 H new ATOM 0 HG SER A 15 17.288 -17.147 -11.996 1.00 0.00 H new ATOM 234 N ILE A 16 13.722 -18.571 -14.252 1.00 0.00 N ATOM 235 CA ILE A 16 13.284 -19.855 -14.786 1.00 0.00 C ATOM 236 C ILE A 16 12.766 -19.709 -16.213 1.00 0.00 C ATOM 237 O ILE A 16 12.802 -20.657 -16.998 1.00 0.00 O ATOM 238 CB ILE A 16 12.182 -20.481 -13.912 1.00 0.00 C ATOM 239 CG1 ILE A 16 12.672 -20.642 -12.472 1.00 0.00 C ATOM 240 CG2 ILE A 16 11.752 -21.824 -14.484 1.00 0.00 C ATOM 241 CD1 ILE A 16 11.620 -21.190 -11.533 1.00 0.00 C ATOM 0 H ILE A 16 13.301 -18.320 -13.358 1.00 0.00 H new ATOM 0 HA ILE A 16 14.154 -20.512 -14.784 1.00 0.00 H new ATOM 0 HB ILE A 16 11.319 -19.815 -13.910 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.536 -21.306 -12.463 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.009 -19.674 -12.101 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.972 -22.254 -13.855 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.367 -21.683 -15.494 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.608 -22.498 -14.513 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.038 -21.278 -10.530 1.00 0.00 H new ATOM 0 HD12 ILE A 16 10.764 -20.515 -11.512 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.299 -22.172 -11.879 1.00 0.00 H new ATOM 253 N LEU A 17 12.285 -18.515 -16.542 1.00 0.00 N ATOM 254 CA LEU A 17 11.760 -18.243 -17.876 1.00 0.00 C ATOM 255 C LEU A 17 12.887 -17.900 -18.845 1.00 0.00 C ATOM 256 O LEU A 17 13.062 -18.560 -19.870 1.00 0.00 O ATOM 257 CB LEU A 17 10.749 -17.097 -17.824 1.00 0.00 C ATOM 258 CG LEU A 17 9.346 -17.415 -18.340 1.00 0.00 C ATOM 259 CD1 LEU A 17 8.385 -16.284 -18.007 1.00 0.00 C ATOM 260 CD2 LEU A 17 9.374 -17.669 -19.840 1.00 0.00 C ATOM 0 H LEU A 17 12.248 -17.720 -15.904 1.00 0.00 H new ATOM 0 HA LEU A 17 11.260 -19.143 -18.234 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.666 -16.759 -16.791 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.146 -16.262 -18.402 1.00 0.00 H new ATOM 0 HG LEU A 17 8.995 -18.320 -17.845 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.391 -16.529 -18.382 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.342 -16.150 -16.926 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.732 -15.362 -18.474 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.366 -17.894 -20.190 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.747 -16.782 -20.352 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.029 -18.513 -20.054 1.00 0.00 H new ATOM 272 N LEU A 18 13.650 -16.864 -18.513 1.00 0.00 N ATOM 273 CA LEU A 18 14.762 -16.433 -19.353 1.00 0.00 C ATOM 274 C LEU A 18 15.679 -17.606 -19.686 1.00 0.00 C ATOM 275 O LEU A 18 16.227 -17.685 -20.786 1.00 0.00 O ATOM 276 CB LEU A 18 15.559 -15.332 -18.652 1.00 0.00 C ATOM 277 CG LEU A 18 14.978 -13.920 -18.744 1.00 0.00 C ATOM 278 CD1 LEU A 18 15.984 -12.895 -18.244 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.561 -13.608 -20.174 1.00 0.00 C ATOM 0 H LEU A 18 13.519 -16.307 -17.668 1.00 0.00 H new ATOM 0 HA LEU A 18 14.352 -16.040 -20.283 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.656 -15.596 -17.599 1.00 0.00 H new ATOM 0 HB3 LEU A 18 16.565 -15.317 -19.070 1.00 0.00 H new ATOM 0 HG LEU A 18 14.093 -13.869 -18.109 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.553 -11.897 -18.317 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.234 -13.107 -17.204 1.00 0.00 H new ATOM 0 HD13 LEU A 18 16.887 -12.946 -18.852 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.150 -12.600 -20.221 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.429 -13.677 -20.829 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.805 -14.324 -20.497 1.00 0.00 H new ATOM 291 N ILE A 19 15.839 -18.515 -18.731 1.00 0.00 N ATOM 292 CA ILE A 19 16.686 -19.685 -18.925 1.00 0.00 C ATOM 293 C ILE A 19 16.175 -20.550 -20.073 1.00 0.00 C ATOM 294 O ILE A 19 16.849 -20.710 -21.091 1.00 0.00 O ATOM 295 CB ILE A 19 16.764 -20.542 -17.648 1.00 0.00 C ATOM 296 CG1 ILE A 19 17.422 -19.751 -16.516 1.00 0.00 C ATOM 297 CG2 ILE A 19 17.531 -21.828 -17.918 1.00 0.00 C ATOM 298 CD1 ILE A 19 16.968 -20.178 -15.137 1.00 0.00 C ATOM 0 H ILE A 19 15.393 -18.464 -17.815 1.00 0.00 H new ATOM 0 HA ILE A 19 17.683 -19.316 -19.167 1.00 0.00 H new ATOM 0 HB ILE A 19 15.751 -20.804 -17.342 1.00 0.00 H new ATOM 0 HG12 ILE A 19 18.504 -19.865 -16.585 1.00 0.00 H new ATOM 0 HG13 ILE A 19 17.204 -18.691 -16.650 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.577 -22.422 -17.006 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.024 -22.397 -18.697 1.00 0.00 H new ATOM 0 HG23 ILE A 19 18.542 -21.587 -18.245 1.00 0.00 H new ATOM 0 HD11 ILE A 19 17.475 -19.575 -14.384 1.00 0.00 H new ATOM 0 HD12 ILE A 19 15.891 -20.038 -15.049 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.211 -21.229 -14.983 1.00 0.00 H new ATOM 310 N PHE A 20 14.979 -21.103 -19.903 1.00 0.00 N ATOM 311 CA PHE A 20 14.377 -21.951 -20.925 1.00 0.00 C ATOM 312 C PHE A 20 14.130 -21.163 -22.209 1.00 0.00 C ATOM 313 O PHE A 20 14.053 -21.736 -23.296 1.00 0.00 O ATOM 314 CB PHE A 20 13.061 -22.543 -20.416 1.00 0.00 C ATOM 315 CG PHE A 20 12.492 -23.601 -21.317 1.00 0.00 C ATOM 316 CD1 PHE A 20 13.210 -24.753 -21.596 1.00 0.00 C ATOM 317 CD2 PHE A 20 11.239 -23.444 -21.887 1.00 0.00 C ATOM 318 CE1 PHE A 20 12.689 -25.729 -22.424 1.00 0.00 C ATOM 319 CE2 PHE A 20 10.712 -24.417 -22.716 1.00 0.00 C ATOM 320 CZ PHE A 20 11.439 -25.560 -22.986 1.00 0.00 C ATOM 0 H PHE A 20 14.407 -20.979 -19.067 1.00 0.00 H new ATOM 0 HA PHE A 20 15.072 -22.762 -21.145 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.222 -22.969 -19.426 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.331 -21.742 -20.303 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.189 -24.890 -21.161 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.667 -22.551 -21.681 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.259 -26.623 -22.631 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.733 -24.283 -23.152 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.031 -26.320 -23.635 1.00 0.00 H new ATOM 330 N ILE A 21 14.007 -19.847 -22.073 1.00 0.00 N ATOM 331 CA ILE A 21 13.769 -18.981 -23.221 1.00 0.00 C ATOM 332 C ILE A 21 15.021 -18.854 -24.083 1.00 0.00 C ATOM 333 O ILE A 21 14.985 -19.100 -25.289 1.00 0.00 O ATOM 334 CB ILE A 21 13.318 -17.575 -22.782 1.00 0.00 C ATOM 335 CG1 ILE A 21 11.795 -17.525 -22.642 1.00 0.00 C ATOM 336 CG2 ILE A 21 13.798 -16.529 -23.777 1.00 0.00 C ATOM 337 CD1 ILE A 21 11.287 -16.248 -22.011 1.00 0.00 C ATOM 0 H ILE A 21 14.068 -19.358 -21.180 1.00 0.00 H new ATOM 0 HA ILE A 21 12.973 -19.443 -23.805 1.00 0.00 H new ATOM 0 HB ILE A 21 13.761 -17.354 -21.811 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.344 -17.638 -23.628 1.00 0.00 H new ATOM 0 HG13 ILE A 21 11.466 -18.373 -22.042 1.00 0.00 H new ATOM 0 HG21 ILE A 21 13.471 -15.541 -23.452 1.00 0.00 H new ATOM 0 HG22 ILE A 21 14.886 -16.551 -23.832 1.00 0.00 H new ATOM 0 HG23 ILE A 21 13.381 -16.744 -24.761 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.200 -16.283 -21.944 1.00 0.00 H new ATOM 0 HD12 ILE A 21 11.709 -16.143 -21.012 1.00 0.00 H new ATOM 0 HD13 ILE A 21 11.586 -15.396 -22.622 1.00 0.00 H new ATOM 349 N PHE A 22 16.128 -18.471 -23.455 1.00 0.00 N ATOM 350 CA PHE A 22 17.392 -18.312 -24.164 1.00 0.00 C ATOM 351 C PHE A 22 17.930 -19.664 -24.627 1.00 0.00 C ATOM 352 O PHE A 22 18.249 -19.847 -25.802 1.00 0.00 O ATOM 353 CB PHE A 22 18.422 -17.622 -23.267 1.00 0.00 C ATOM 354 CG PHE A 22 18.013 -16.242 -22.838 1.00 0.00 C ATOM 355 CD1 PHE A 22 17.377 -15.387 -23.724 1.00 0.00 C ATOM 356 CD2 PHE A 22 18.264 -15.799 -21.550 1.00 0.00 C ATOM 357 CE1 PHE A 22 17.001 -14.116 -23.333 1.00 0.00 C ATOM 358 CE2 PHE A 22 17.890 -14.529 -21.152 1.00 0.00 C ATOM 359 CZ PHE A 22 17.257 -13.687 -22.045 1.00 0.00 C ATOM 0 H PHE A 22 16.175 -18.265 -22.457 1.00 0.00 H new ATOM 0 HA PHE A 22 17.211 -17.692 -25.042 1.00 0.00 H new ATOM 0 HB2 PHE A 22 18.589 -18.235 -22.381 1.00 0.00 H new ATOM 0 HB3 PHE A 22 19.372 -17.562 -23.797 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.173 -15.718 -24.732 1.00 0.00 H new ATOM 0 HD2 PHE A 22 18.758 -16.454 -20.848 1.00 0.00 H new ATOM 0 HE1 PHE A 22 16.508 -13.459 -24.034 1.00 0.00 H new ATOM 0 HE2 PHE A 22 18.092 -14.196 -20.145 1.00 0.00 H new ATOM 0 HZ PHE A 22 16.963 -12.695 -21.737 1.00 0.00 H new ATOM 369 N ILE A 23 18.027 -20.606 -23.695 1.00 0.00 N ATOM 370 CA ILE A 23 18.525 -21.940 -24.006 1.00 0.00 C ATOM 371 C ILE A 23 17.814 -22.521 -25.224 1.00 0.00 C ATOM 372 O ILE A 23 18.455 -22.981 -26.169 1.00 0.00 O ATOM 373 CB ILE A 23 18.346 -22.899 -22.815 1.00 0.00 C ATOM 374 CG1 ILE A 23 19.576 -22.853 -21.906 1.00 0.00 C ATOM 375 CG2 ILE A 23 18.099 -24.317 -23.310 1.00 0.00 C ATOM 376 CD1 ILE A 23 19.416 -21.930 -20.719 1.00 0.00 C ATOM 0 H ILE A 23 17.767 -20.470 -22.718 1.00 0.00 H new ATOM 0 HA ILE A 23 19.588 -21.838 -24.223 1.00 0.00 H new ATOM 0 HB ILE A 23 17.479 -22.580 -22.237 1.00 0.00 H new ATOM 0 HG12 ILE A 23 19.790 -23.860 -21.547 1.00 0.00 H new ATOM 0 HG13 ILE A 23 20.438 -22.533 -22.491 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.974 -24.984 -22.457 1.00 0.00 H new ATOM 0 HG22 ILE A 23 17.197 -24.337 -23.921 1.00 0.00 H new ATOM 0 HG23 ILE A 23 18.949 -24.647 -23.907 1.00 0.00 H new ATOM 0 HD11 ILE A 23 20.326 -21.948 -20.119 1.00 0.00 H new ATOM 0 HD12 ILE A 23 19.232 -20.915 -21.070 1.00 0.00 H new ATOM 0 HD13 ILE A 23 18.574 -22.262 -20.111 1.00 0.00 H new ATOM 388 N VAL A 24 16.485 -22.495 -25.196 1.00 0.00 N ATOM 389 CA VAL A 24 15.687 -23.016 -26.298 1.00 0.00 C ATOM 390 C VAL A 24 15.881 -22.183 -27.560 1.00 0.00 C ATOM 391 O VAL A 24 15.980 -22.720 -28.664 1.00 0.00 O ATOM 392 CB VAL A 24 14.189 -23.046 -25.941 1.00 0.00 C ATOM 393 CG1 VAL A 24 13.348 -23.298 -27.184 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.915 -24.101 -24.880 1.00 0.00 C ATOM 0 H VAL A 24 15.939 -22.118 -24.421 1.00 0.00 H new ATOM 0 HA VAL A 24 16.030 -24.034 -26.483 1.00 0.00 H new ATOM 0 HB VAL A 24 13.911 -22.074 -25.534 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.293 -23.316 -26.912 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.522 -22.503 -27.909 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.626 -24.256 -27.623 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.852 -24.108 -24.640 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.209 -25.081 -25.257 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.488 -23.871 -23.982 1.00 0.00 H new ATOM 404 N LEU A 25 15.935 -20.866 -27.390 1.00 0.00 N ATOM 405 CA LEU A 25 16.119 -19.956 -28.515 1.00 0.00 C ATOM 406 C LEU A 25 17.383 -20.303 -29.295 1.00 0.00 C ATOM 407 O LEU A 25 17.409 -20.222 -30.524 1.00 0.00 O ATOM 408 CB LEU A 25 16.190 -18.510 -28.021 1.00 0.00 C ATOM 409 CG LEU A 25 14.861 -17.758 -27.952 1.00 0.00 C ATOM 410 CD1 LEU A 25 15.081 -16.329 -27.481 1.00 0.00 C ATOM 411 CD2 LEU A 25 14.168 -17.774 -29.307 1.00 0.00 C ATOM 0 H LEU A 25 15.854 -20.405 -26.484 1.00 0.00 H new ATOM 0 HA LEU A 25 15.263 -20.063 -29.181 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.637 -18.508 -27.027 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.864 -17.957 -28.675 1.00 0.00 H new ATOM 0 HG LEU A 25 14.217 -18.262 -27.231 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.124 -15.809 -27.438 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.534 -16.338 -26.490 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.743 -15.814 -28.177 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.224 -17.234 -29.239 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.807 -17.295 -30.048 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.976 -18.805 -29.605 1.00 0.00 H new ATOM 423 N LEU A 26 18.429 -20.690 -28.574 1.00 0.00 N ATOM 424 CA LEU A 26 19.697 -21.051 -29.198 1.00 0.00 C ATOM 425 C LEU A 26 19.493 -22.120 -30.267 1.00 0.00 C ATOM 426 O LEU A 26 19.956 -21.976 -31.399 1.00 0.00 O ATOM 427 CB LEU A 26 20.684 -21.552 -28.142 1.00 0.00 C ATOM 428 CG LEU A 26 21.657 -20.513 -27.586 1.00 0.00 C ATOM 429 CD1 LEU A 26 22.487 -19.905 -28.707 1.00 0.00 C ATOM 430 CD2 LEU A 26 20.905 -19.429 -26.829 1.00 0.00 C ATOM 0 H LEU A 26 18.424 -20.762 -27.557 1.00 0.00 H new ATOM 0 HA LEU A 26 20.106 -20.160 -29.674 1.00 0.00 H new ATOM 0 HB2 LEU A 26 20.115 -21.969 -27.311 1.00 0.00 H new ATOM 0 HB3 LEU A 26 21.263 -22.368 -28.573 1.00 0.00 H new ATOM 0 HG LEU A 26 22.332 -21.012 -26.891 1.00 0.00 H new ATOM 0 HD11 LEU A 26 23.174 -19.167 -28.292 1.00 0.00 H new ATOM 0 HD12 LEU A 26 23.055 -20.690 -29.206 1.00 0.00 H new ATOM 0 HD13 LEU A 26 21.827 -19.421 -29.427 1.00 0.00 H new ATOM 0 HD21 LEU A 26 21.614 -18.698 -26.440 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.205 -18.934 -27.502 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.356 -19.878 -26.001 1.00 0.00 H new ATOM 442 N ILE A 27 18.795 -23.190 -29.901 1.00 0.00 N ATOM 443 CA ILE A 27 18.527 -24.280 -30.830 1.00 0.00 C ATOM 444 C ILE A 27 17.609 -23.827 -31.960 1.00 0.00 C ATOM 445 O ILE A 27 17.897 -24.050 -33.136 1.00 0.00 O ATOM 446 CB ILE A 27 17.885 -25.484 -30.115 1.00 0.00 C ATOM 447 CG1 ILE A 27 18.966 -26.455 -29.634 1.00 0.00 C ATOM 448 CG2 ILE A 27 16.905 -26.190 -31.040 1.00 0.00 C ATOM 449 CD1 ILE A 27 19.257 -26.350 -28.153 1.00 0.00 C ATOM 0 H ILE A 27 18.405 -23.325 -28.968 1.00 0.00 H new ATOM 0 HA ILE A 27 19.488 -24.583 -31.245 1.00 0.00 H new ATOM 0 HB ILE A 27 17.336 -25.121 -29.246 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.656 -27.474 -29.864 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.884 -26.268 -30.191 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.460 -27.038 -30.520 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.120 -25.495 -31.338 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.432 -26.544 -31.926 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.032 -27.067 -27.883 1.00 0.00 H new ATOM 0 HD12 ILE A 27 19.598 -25.341 -27.920 1.00 0.00 H new ATOM 0 HD13 ILE A 27 18.350 -26.566 -27.588 1.00 0.00 H new ATOM 461 N HIS A 28 16.502 -23.186 -31.596 1.00 0.00 N ATOM 462 CA HIS A 28 15.542 -22.698 -32.580 1.00 0.00 C ATOM 463 C HIS A 28 16.247 -21.921 -33.687 1.00 0.00 C ATOM 464 O HIS A 28 15.834 -21.959 -34.846 1.00 0.00 O ATOM 465 CB HIS A 28 14.495 -21.811 -31.905 1.00 0.00 C ATOM 466 CG HIS A 28 13.582 -21.122 -32.872 1.00 0.00 C ATOM 467 ND1 HIS A 28 12.303 -21.560 -33.142 1.00 0.00 N ATOM 468 CD2 HIS A 28 13.769 -20.018 -33.632 1.00 0.00 C ATOM 469 CE1 HIS A 28 11.743 -20.756 -34.028 1.00 0.00 C ATOM 470 NE2 HIS A 28 12.612 -19.812 -34.342 1.00 0.00 N ATOM 0 H HIS A 28 16.248 -22.993 -30.627 1.00 0.00 H new ATOM 0 HA HIS A 28 15.045 -23.560 -33.025 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.899 -22.420 -31.225 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.002 -21.060 -31.299 1.00 0.00 H new ATOM 0 HD2 HIS A 28 14.662 -19.412 -33.673 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.744 -20.854 -34.428 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.450 -19.053 -35.004 1.00 0.00 H new ATOM 478 N PHE A 29 17.313 -21.216 -33.323 1.00 0.00 N ATOM 479 CA PHE A 29 18.075 -20.429 -34.285 1.00 0.00 C ATOM 480 C PHE A 29 19.265 -21.222 -34.817 1.00 0.00 C ATOM 481 O PHE A 29 19.738 -20.981 -35.927 1.00 0.00 O ATOM 482 CB PHE A 29 18.560 -19.128 -33.642 1.00 0.00 C ATOM 483 CG PHE A 29 17.533 -18.032 -33.658 1.00 0.00 C ATOM 484 CD1 PHE A 29 17.064 -17.522 -34.857 1.00 0.00 C ATOM 485 CD2 PHE A 29 17.038 -17.511 -32.473 1.00 0.00 C ATOM 486 CE1 PHE A 29 16.119 -16.513 -34.875 1.00 0.00 C ATOM 487 CE2 PHE A 29 16.093 -16.503 -32.485 1.00 0.00 C ATOM 488 CZ PHE A 29 15.634 -16.003 -33.687 1.00 0.00 C ATOM 0 H PHE A 29 17.669 -21.174 -32.368 1.00 0.00 H new ATOM 0 HA PHE A 29 17.418 -20.190 -35.121 1.00 0.00 H new ATOM 0 HB2 PHE A 29 18.850 -19.328 -32.611 1.00 0.00 H new ATOM 0 HB3 PHE A 29 19.454 -18.785 -34.164 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.441 -17.917 -35.789 1.00 0.00 H new ATOM 0 HD2 PHE A 29 17.395 -17.897 -31.530 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.761 -16.124 -35.817 1.00 0.00 H new ATOM 0 HE2 PHE A 29 15.714 -16.107 -31.555 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.897 -15.214 -33.698 1.00 0.00 H new ATOM 498 N GLU A 30 19.744 -22.168 -34.015 1.00 0.00 N ATOM 499 CA GLU A 30 20.880 -22.995 -34.404 1.00 0.00 C ATOM 500 C GLU A 30 20.440 -24.118 -35.338 1.00 0.00 C ATOM 501 O GLU A 30 21.201 -25.045 -35.615 1.00 0.00 O ATOM 502 CB GLU A 30 21.558 -23.584 -33.165 1.00 0.00 C ATOM 503 CG GLU A 30 22.561 -22.645 -32.516 1.00 0.00 C ATOM 504 CD GLU A 30 22.831 -22.992 -31.065 1.00 0.00 C ATOM 505 OE1 GLU A 30 22.079 -23.814 -30.501 1.00 0.00 O ATOM 506 OE2 GLU A 30 23.795 -22.441 -30.493 1.00 0.00 O ATOM 0 H GLU A 30 19.363 -22.380 -33.093 1.00 0.00 H new ATOM 0 HA GLU A 30 21.593 -22.363 -34.934 1.00 0.00 H new ATOM 0 HB2 GLU A 30 20.794 -23.848 -32.434 1.00 0.00 H new ATOM 0 HB3 GLU A 30 22.065 -24.508 -33.443 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.497 -22.678 -33.074 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.188 -21.622 -32.578 1.00 0.00 H new ATOM 513 N GLY A 31 19.204 -24.029 -35.822 1.00 0.00 N ATOM 514 CA GLY A 31 18.684 -25.043 -36.719 1.00 0.00 C ATOM 515 C GLY A 31 17.387 -25.649 -36.219 1.00 0.00 C ATOM 516 O GLY A 31 17.292 -26.863 -36.034 1.00 0.00 O ATOM 0 H GLY A 31 18.554 -23.272 -35.608 1.00 0.00 H new ATOM 0 HA2 GLY A 31 18.521 -24.604 -37.703 1.00 0.00 H new ATOM 0 HA3 GLY A 31 19.427 -25.831 -36.841 1.00 0.00 H new ATOM 520 N TRP A 32 16.387 -24.804 -35.999 1.00 0.00 N ATOM 521 CA TRP A 32 15.090 -25.263 -35.515 1.00 0.00 C ATOM 522 C TRP A 32 14.605 -26.466 -36.318 1.00 0.00 C ATOM 523 O TRP A 32 13.856 -27.300 -35.810 1.00 0.00 O ATOM 524 CB TRP A 32 14.063 -24.133 -35.596 1.00 0.00 C ATOM 525 CG TRP A 32 12.645 -24.617 -35.594 1.00 0.00 C ATOM 526 CD1 TRP A 32 11.763 -24.576 -36.636 1.00 0.00 C ATOM 527 CD2 TRP A 32 11.945 -25.214 -34.496 1.00 0.00 C ATOM 528 NE1 TRP A 32 10.557 -25.111 -36.252 1.00 0.00 N ATOM 529 CE2 TRP A 32 10.643 -25.511 -34.945 1.00 0.00 C ATOM 530 CE3 TRP A 32 12.292 -25.529 -33.180 1.00 0.00 C ATOM 531 CZ2 TRP A 32 9.690 -26.105 -34.122 1.00 0.00 C ATOM 532 CZ3 TRP A 32 11.345 -26.118 -32.364 1.00 0.00 C ATOM 533 CH2 TRP A 32 10.057 -26.402 -32.838 1.00 0.00 C ATOM 0 H TRP A 32 16.449 -23.797 -36.148 1.00 0.00 H new ATOM 0 HA TRP A 32 15.205 -25.566 -34.474 1.00 0.00 H new ATOM 0 HB2 TRP A 32 14.210 -23.457 -34.753 1.00 0.00 H new ATOM 0 HB3 TRP A 32 14.241 -23.555 -36.503 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.981 -24.181 -37.617 1.00 0.00 H new ATOM 0 HE1 TRP A 32 9.731 -25.196 -36.845 1.00 0.00 H new ATOM 0 HE3 TRP A 32 13.283 -25.316 -32.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 8.696 -26.324 -34.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 11.602 -26.364 -31.344 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.340 -26.865 -32.176 1.00 0.00 H new ATOM 726 N PHE B 110 18.190 -2.120 -15.100 1.00 0.00 N ATOM 727 CA PHE B 110 18.429 -3.458 -14.572 1.00 0.00 C ATOM 728 C PHE B 110 17.723 -4.511 -15.419 1.00 0.00 C ATOM 729 O PHE B 110 18.148 -5.665 -15.476 1.00 0.00 O ATOM 730 CB PHE B 110 17.951 -3.550 -13.121 1.00 0.00 C ATOM 731 CG PHE B 110 17.974 -4.946 -12.570 1.00 0.00 C ATOM 732 CD1 PHE B 110 16.880 -5.784 -12.723 1.00 0.00 C ATOM 733 CD2 PHE B 110 19.088 -5.422 -11.897 1.00 0.00 C ATOM 734 CE1 PHE B 110 16.898 -7.070 -12.218 1.00 0.00 C ATOM 735 CE2 PHE B 110 19.111 -6.708 -11.390 1.00 0.00 C ATOM 736 CZ PHE B 110 18.014 -7.532 -11.549 1.00 0.00 C ATOM 0 HA PHE B 110 19.502 -3.649 -14.607 1.00 0.00 H new ATOM 0 HB2 PHE B 110 18.579 -2.912 -12.499 1.00 0.00 H new ATOM 0 HB3 PHE B 110 16.936 -3.159 -13.056 1.00 0.00 H new ATOM 0 HD1 PHE B 110 16.003 -5.427 -13.243 1.00 0.00 H new ATOM 0 HD2 PHE B 110 19.948 -4.781 -11.767 1.00 0.00 H new ATOM 0 HE1 PHE B 110 16.040 -7.713 -12.346 1.00 0.00 H new ATOM 0 HE2 PHE B 110 19.986 -7.068 -10.870 1.00 0.00 H new ATOM 0 HZ PHE B 110 18.029 -8.536 -11.151 1.00 0.00 H new ATOM 746 N MET B 111 16.641 -4.106 -16.077 1.00 0.00 N ATOM 747 CA MET B 111 15.876 -5.014 -16.922 1.00 0.00 C ATOM 748 C MET B 111 16.664 -5.387 -18.174 1.00 0.00 C ATOM 749 O MET B 111 16.536 -6.496 -18.692 1.00 0.00 O ATOM 750 CB MET B 111 14.542 -4.376 -17.317 1.00 0.00 C ATOM 751 CG MET B 111 13.412 -4.682 -16.348 1.00 0.00 C ATOM 752 SD MET B 111 12.002 -3.577 -16.554 1.00 0.00 S ATOM 753 CE MET B 111 11.770 -3.006 -14.872 1.00 0.00 C ATOM 0 H MET B 111 16.275 -3.155 -16.041 1.00 0.00 H new ATOM 0 HA MET B 111 15.682 -5.923 -16.352 1.00 0.00 H new ATOM 0 HB2 MET B 111 14.671 -3.296 -17.383 1.00 0.00 H new ATOM 0 HB3 MET B 111 14.262 -4.725 -18.311 1.00 0.00 H new ATOM 0 HG2 MET B 111 13.085 -5.712 -16.491 1.00 0.00 H new ATOM 0 HG3 MET B 111 13.784 -4.604 -15.326 1.00 0.00 H new ATOM 0 HE1 MET B 111 10.930 -2.312 -14.836 1.00 0.00 H new ATOM 0 HE2 MET B 111 11.565 -3.858 -14.224 1.00 0.00 H new ATOM 0 HE3 MET B 111 12.674 -2.500 -14.532 1.00 0.00 H new ATOM 763 N ILE B 112 17.479 -4.453 -18.654 1.00 0.00 N ATOM 764 CA ILE B 112 18.288 -4.685 -19.844 1.00 0.00 C ATOM 765 C ILE B 112 19.577 -5.422 -19.497 1.00 0.00 C ATOM 766 O ILE B 112 19.874 -6.474 -20.063 1.00 0.00 O ATOM 767 CB ILE B 112 18.641 -3.363 -20.552 1.00 0.00 C ATOM 768 CG1 ILE B 112 17.373 -2.691 -21.084 1.00 0.00 C ATOM 769 CG2 ILE B 112 19.628 -3.614 -21.681 1.00 0.00 C ATOM 770 CD1 ILE B 112 17.102 -1.337 -20.466 1.00 0.00 C ATOM 0 H ILE B 112 17.596 -3.529 -18.237 1.00 0.00 H new ATOM 0 HA ILE B 112 17.690 -5.300 -20.517 1.00 0.00 H new ATOM 0 HB ILE B 112 19.109 -2.694 -19.830 1.00 0.00 H new ATOM 0 HG12 ILE B 112 17.458 -2.578 -22.165 1.00 0.00 H new ATOM 0 HG13 ILE B 112 16.520 -3.344 -20.898 1.00 0.00 H new ATOM 0 HG21 ILE B 112 19.867 -2.670 -22.171 1.00 0.00 H new ATOM 0 HG22 ILE B 112 20.539 -4.054 -21.276 1.00 0.00 H new ATOM 0 HG23 ILE B 112 19.186 -4.298 -22.406 1.00 0.00 H new ATOM 0 HD11 ILE B 112 16.188 -0.920 -20.890 1.00 0.00 H new ATOM 0 HD12 ILE B 112 16.985 -1.446 -19.388 1.00 0.00 H new ATOM 0 HD13 ILE B 112 17.937 -0.668 -20.675 1.00 0.00 H new ATOM 782 N ASN B 113 20.338 -4.864 -18.562 1.00 0.00 N ATOM 783 CA ASN B 113 21.596 -5.469 -18.138 1.00 0.00 C ATOM 784 C ASN B 113 21.392 -6.931 -17.751 1.00 0.00 C ATOM 785 O ASN B 113 22.077 -7.821 -18.258 1.00 0.00 O ATOM 786 CB ASN B 113 22.186 -4.695 -16.958 1.00 0.00 C ATOM 787 CG ASN B 113 23.479 -3.990 -17.318 1.00 0.00 C ATOM 788 OD1 ASN B 113 24.564 -4.560 -17.199 1.00 0.00 O ATOM 789 ND2 ASN B 113 23.370 -2.743 -17.761 1.00 0.00 N ATOM 0 H ASN B 113 20.106 -3.994 -18.083 1.00 0.00 H new ATOM 0 HA ASN B 113 22.292 -5.426 -18.976 1.00 0.00 H new ATOM 0 HB2 ASN B 113 21.460 -3.961 -16.609 1.00 0.00 H new ATOM 0 HB3 ASN B 113 22.368 -5.381 -16.131 1.00 0.00 H new ATOM 0 HD21 ASN B 113 24.206 -2.218 -18.019 1.00 0.00 H new ATOM 0 HD22 ASN B 113 22.450 -2.310 -17.844 1.00 0.00 H new ATOM 796 N THR B 114 20.446 -7.173 -16.849 1.00 0.00 N ATOM 797 CA THR B 114 20.153 -8.526 -16.393 1.00 0.00 C ATOM 798 C THR B 114 19.910 -9.462 -17.571 1.00 0.00 C ATOM 799 O THR B 114 20.203 -10.656 -17.498 1.00 0.00 O ATOM 800 CB THR B 114 18.921 -8.552 -15.469 1.00 0.00 C ATOM 801 OG1 THR B 114 19.268 -8.047 -14.175 1.00 0.00 O ATOM 802 CG2 THR B 114 18.373 -9.965 -15.337 1.00 0.00 C ATOM 0 H THR B 114 19.870 -6.449 -16.420 1.00 0.00 H new ATOM 0 HA THR B 114 21.025 -8.868 -15.835 1.00 0.00 H new ATOM 0 HB THR B 114 18.150 -7.920 -15.910 1.00 0.00 H new ATOM 0 HG1 THR B 114 18.463 -7.990 -13.619 1.00 0.00 H new ATOM 0 HG21 THR B 114 17.503 -9.958 -14.680 1.00 0.00 H new ATOM 0 HG22 THR B 114 18.082 -10.336 -16.320 1.00 0.00 H new ATOM 0 HG23 THR B 114 19.140 -10.615 -14.917 1.00 0.00 H new ATOM 810 N SER B 115 19.375 -8.914 -18.657 1.00 0.00 N ATOM 811 CA SER B 115 19.090 -9.702 -19.850 1.00 0.00 C ATOM 812 C SER B 115 20.382 -10.130 -20.539 1.00 0.00 C ATOM 813 O SER B 115 20.683 -11.320 -20.635 1.00 0.00 O ATOM 814 CB SER B 115 18.222 -8.900 -20.822 1.00 0.00 C ATOM 815 OG SER B 115 17.392 -9.754 -21.589 1.00 0.00 O ATOM 0 H SER B 115 19.130 -7.927 -18.735 1.00 0.00 H new ATOM 0 HA SER B 115 18.548 -10.597 -19.544 1.00 0.00 H new ATOM 0 HB2 SER B 115 17.606 -8.193 -20.266 1.00 0.00 H new ATOM 0 HB3 SER B 115 18.859 -8.315 -21.485 1.00 0.00 H new ATOM 0 HG SER B 115 16.846 -9.217 -22.201 1.00 0.00 H new ATOM 821 N ILE B 116 21.142 -9.151 -21.018 1.00 0.00 N ATOM 822 CA ILE B 116 22.402 -9.425 -21.697 1.00 0.00 C ATOM 823 C ILE B 116 23.311 -10.299 -20.839 1.00 0.00 C ATOM 824 O ILE B 116 24.170 -11.015 -21.354 1.00 0.00 O ATOM 825 CB ILE B 116 23.146 -8.124 -22.052 1.00 0.00 C ATOM 826 CG1 ILE B 116 22.259 -7.224 -22.915 1.00 0.00 C ATOM 827 CG2 ILE B 116 24.450 -8.438 -22.771 1.00 0.00 C ATOM 828 CD1 ILE B 116 22.903 -5.901 -23.268 1.00 0.00 C ATOM 0 H ILE B 116 20.907 -8.161 -20.948 1.00 0.00 H new ATOM 0 HA ILE B 116 22.155 -9.955 -22.617 1.00 0.00 H new ATOM 0 HB ILE B 116 23.382 -7.594 -21.129 1.00 0.00 H new ATOM 0 HG12 ILE B 116 22.005 -7.752 -23.834 1.00 0.00 H new ATOM 0 HG13 ILE B 116 21.324 -7.035 -22.387 1.00 0.00 H new ATOM 0 HG21 ILE B 116 24.964 -7.508 -23.015 1.00 0.00 H new ATOM 0 HG22 ILE B 116 25.085 -9.045 -22.125 1.00 0.00 H new ATOM 0 HG23 ILE B 116 24.237 -8.986 -23.689 1.00 0.00 H new ATOM 0 HD11 ILE B 116 22.218 -5.315 -23.881 1.00 0.00 H new ATOM 0 HD12 ILE B 116 23.132 -5.353 -22.354 1.00 0.00 H new ATOM 0 HD13 ILE B 116 23.823 -6.081 -23.824 1.00 0.00 H new ATOM 840 N LEU B 117 23.115 -10.235 -19.526 1.00 0.00 N ATOM 841 CA LEU B 117 23.916 -11.022 -18.594 1.00 0.00 C ATOM 842 C LEU B 117 23.366 -12.439 -18.466 1.00 0.00 C ATOM 843 O LEU B 117 24.080 -13.417 -18.692 1.00 0.00 O ATOM 844 CB LEU B 117 23.946 -10.348 -17.222 1.00 0.00 C ATOM 845 CG LEU B 117 25.329 -9.980 -16.685 1.00 0.00 C ATOM 846 CD1 LEU B 117 25.206 -9.119 -15.437 1.00 0.00 C ATOM 847 CD2 LEU B 117 26.138 -11.235 -16.391 1.00 0.00 C ATOM 0 H LEU B 117 22.409 -9.647 -19.083 1.00 0.00 H new ATOM 0 HA LEU B 117 24.932 -11.080 -18.985 1.00 0.00 H new ATOM 0 HB2 LEU B 117 23.345 -9.440 -17.272 1.00 0.00 H new ATOM 0 HB3 LEU B 117 23.464 -11.011 -16.503 1.00 0.00 H new ATOM 0 HG LEU B 117 25.852 -9.404 -17.448 1.00 0.00 H new ATOM 0 HD11 LEU B 117 26.201 -8.867 -15.069 1.00 0.00 H new ATOM 0 HD12 LEU B 117 24.666 -8.204 -15.678 1.00 0.00 H new ATOM 0 HD13 LEU B 117 24.663 -9.669 -14.668 1.00 0.00 H new ATOM 0 HD21 LEU B 117 27.120 -10.954 -16.010 1.00 0.00 H new ATOM 0 HD22 LEU B 117 25.618 -11.837 -15.646 1.00 0.00 H new ATOM 0 HD23 LEU B 117 26.257 -11.814 -17.307 1.00 0.00 H new ATOM 859 N LEU B 118 22.092 -12.543 -18.103 1.00 0.00 N ATOM 860 CA LEU B 118 21.445 -13.840 -17.947 1.00 0.00 C ATOM 861 C LEU B 118 21.635 -14.698 -19.194 1.00 0.00 C ATOM 862 O LEU B 118 21.813 -15.913 -19.102 1.00 0.00 O ATOM 863 CB LEU B 118 19.953 -13.657 -17.663 1.00 0.00 C ATOM 864 CG LEU B 118 19.580 -13.335 -16.215 1.00 0.00 C ATOM 865 CD1 LEU B 118 18.076 -13.444 -16.015 1.00 0.00 C ATOM 866 CD2 LEU B 118 20.316 -14.258 -15.256 1.00 0.00 C ATOM 0 H LEU B 118 21.487 -11.744 -17.911 1.00 0.00 H new ATOM 0 HA LEU B 118 21.910 -14.350 -17.103 1.00 0.00 H new ATOM 0 HB2 LEU B 118 19.578 -12.856 -18.300 1.00 0.00 H new ATOM 0 HB3 LEU B 118 19.433 -14.569 -17.957 1.00 0.00 H new ATOM 0 HG LEU B 118 19.881 -12.309 -16.002 1.00 0.00 H new ATOM 0 HD11 LEU B 118 17.829 -13.212 -14.979 1.00 0.00 H new ATOM 0 HD12 LEU B 118 17.569 -12.741 -16.676 1.00 0.00 H new ATOM 0 HD13 LEU B 118 17.751 -14.458 -16.247 1.00 0.00 H new ATOM 0 HD21 LEU B 118 20.038 -14.014 -14.231 1.00 0.00 H new ATOM 0 HD22 LEU B 118 20.047 -15.293 -15.468 1.00 0.00 H new ATOM 0 HD23 LEU B 118 21.391 -14.130 -15.381 1.00 0.00 H new ATOM 878 N ILE B 119 21.598 -14.057 -20.357 1.00 0.00 N ATOM 879 CA ILE B 119 21.770 -14.761 -21.622 1.00 0.00 C ATOM 880 C ILE B 119 23.127 -15.453 -21.686 1.00 0.00 C ATOM 881 O ILE B 119 23.209 -16.679 -21.752 1.00 0.00 O ATOM 882 CB ILE B 119 21.636 -13.804 -22.821 1.00 0.00 C ATOM 883 CG1 ILE B 119 20.251 -13.155 -22.832 1.00 0.00 C ATOM 884 CG2 ILE B 119 21.887 -14.550 -24.124 1.00 0.00 C ATOM 885 CD1 ILE B 119 20.236 -11.772 -23.443 1.00 0.00 C ATOM 0 H ILE B 119 21.451 -13.052 -20.450 1.00 0.00 H new ATOM 0 HA ILE B 119 20.981 -15.511 -21.676 1.00 0.00 H new ATOM 0 HB ILE B 119 22.384 -13.017 -22.724 1.00 0.00 H new ATOM 0 HG12 ILE B 119 19.563 -13.795 -23.385 1.00 0.00 H new ATOM 0 HG13 ILE B 119 19.879 -13.095 -21.809 1.00 0.00 H new ATOM 0 HG21 ILE B 119 21.789 -13.861 -24.963 1.00 0.00 H new ATOM 0 HG22 ILE B 119 22.893 -14.970 -24.115 1.00 0.00 H new ATOM 0 HG23 ILE B 119 21.159 -15.355 -24.229 1.00 0.00 H new ATOM 0 HD11 ILE B 119 19.222 -11.374 -23.417 1.00 0.00 H new ATOM 0 HD12 ILE B 119 20.898 -11.117 -22.877 1.00 0.00 H new ATOM 0 HD13 ILE B 119 20.578 -11.827 -24.477 1.00 0.00 H new ATOM 897 N PHE B 120 24.192 -14.657 -21.666 1.00 0.00 N ATOM 898 CA PHE B 120 25.547 -15.192 -21.721 1.00 0.00 C ATOM 899 C PHE B 120 25.839 -16.061 -20.501 1.00 0.00 C ATOM 900 O PHE B 120 26.703 -16.938 -20.543 1.00 0.00 O ATOM 901 CB PHE B 120 26.565 -14.053 -21.805 1.00 0.00 C ATOM 902 CG PHE B 120 27.963 -14.518 -22.097 1.00 0.00 C ATOM 903 CD1 PHE B 120 28.246 -15.217 -23.260 1.00 0.00 C ATOM 904 CD2 PHE B 120 28.994 -14.257 -21.209 1.00 0.00 C ATOM 905 CE1 PHE B 120 29.531 -15.646 -23.532 1.00 0.00 C ATOM 906 CE2 PHE B 120 30.281 -14.683 -21.476 1.00 0.00 C ATOM 907 CZ PHE B 120 30.550 -15.380 -22.638 1.00 0.00 C ATOM 0 H PHE B 120 24.142 -13.640 -21.612 1.00 0.00 H new ATOM 0 HA PHE B 120 25.630 -15.811 -22.614 1.00 0.00 H new ATOM 0 HB2 PHE B 120 26.253 -13.355 -22.582 1.00 0.00 H new ATOM 0 HB3 PHE B 120 26.563 -13.504 -20.863 1.00 0.00 H new ATOM 0 HD1 PHE B 120 27.453 -15.429 -23.962 1.00 0.00 H new ATOM 0 HD2 PHE B 120 28.789 -13.714 -20.298 1.00 0.00 H new ATOM 0 HE1 PHE B 120 29.738 -16.189 -24.442 1.00 0.00 H new ATOM 0 HE2 PHE B 120 31.076 -14.471 -20.777 1.00 0.00 H new ATOM 0 HZ PHE B 120 31.555 -15.716 -22.847 1.00 0.00 H new ATOM 917 N ILE B 121 25.113 -15.811 -19.417 1.00 0.00 N ATOM 918 CA ILE B 121 25.294 -16.569 -18.185 1.00 0.00 C ATOM 919 C ILE B 121 24.741 -17.984 -18.326 1.00 0.00 C ATOM 920 O ILE B 121 25.442 -18.964 -18.070 1.00 0.00 O ATOM 921 CB ILE B 121 24.607 -15.879 -16.993 1.00 0.00 C ATOM 922 CG1 ILE B 121 25.568 -14.895 -16.323 1.00 0.00 C ATOM 923 CG2 ILE B 121 24.117 -16.914 -15.991 1.00 0.00 C ATOM 924 CD1 ILE B 121 24.910 -14.027 -15.272 1.00 0.00 C ATOM 0 H ILE B 121 24.394 -15.089 -19.367 1.00 0.00 H new ATOM 0 HA ILE B 121 26.367 -16.616 -17.998 1.00 0.00 H new ATOM 0 HB ILE B 121 23.745 -15.323 -17.362 1.00 0.00 H new ATOM 0 HG12 ILE B 121 26.384 -15.453 -15.863 1.00 0.00 H new ATOM 0 HG13 ILE B 121 26.010 -14.255 -17.086 1.00 0.00 H new ATOM 0 HG21 ILE B 121 23.634 -16.410 -15.154 1.00 0.00 H new ATOM 0 HG22 ILE B 121 23.403 -17.580 -16.475 1.00 0.00 H new ATOM 0 HG23 ILE B 121 24.963 -17.495 -15.625 1.00 0.00 H new ATOM 0 HD11 ILE B 121 25.651 -13.354 -14.840 1.00 0.00 H new ATOM 0 HD12 ILE B 121 24.113 -13.442 -15.730 1.00 0.00 H new ATOM 0 HD13 ILE B 121 24.492 -14.659 -14.488 1.00 0.00 H new ATOM 936 N PHE B 122 23.481 -18.083 -18.736 1.00 0.00 N ATOM 937 CA PHE B 122 22.834 -19.378 -18.912 1.00 0.00 C ATOM 938 C PHE B 122 23.446 -20.137 -20.086 1.00 0.00 C ATOM 939 O PHE B 122 23.849 -21.292 -19.951 1.00 0.00 O ATOM 940 CB PHE B 122 21.332 -19.196 -19.134 1.00 0.00 C ATOM 941 CG PHE B 122 20.630 -18.542 -17.979 1.00 0.00 C ATOM 942 CD1 PHE B 122 20.945 -18.887 -16.675 1.00 0.00 C ATOM 943 CD2 PHE B 122 19.655 -17.582 -18.197 1.00 0.00 C ATOM 944 CE1 PHE B 122 20.299 -18.288 -15.609 1.00 0.00 C ATOM 945 CE2 PHE B 122 19.006 -16.978 -17.136 1.00 0.00 C ATOM 946 CZ PHE B 122 19.330 -17.331 -15.840 1.00 0.00 C ATOM 0 H PHE B 122 22.888 -17.282 -18.953 1.00 0.00 H new ATOM 0 HA PHE B 122 22.991 -19.961 -18.004 1.00 0.00 H new ATOM 0 HB2 PHE B 122 21.175 -18.596 -20.031 1.00 0.00 H new ATOM 0 HB3 PHE B 122 20.880 -20.170 -19.319 1.00 0.00 H new ATOM 0 HD1 PHE B 122 21.704 -19.632 -16.489 1.00 0.00 H new ATOM 0 HD2 PHE B 122 19.399 -17.302 -19.208 1.00 0.00 H new ATOM 0 HE1 PHE B 122 20.552 -18.568 -14.597 1.00 0.00 H new ATOM 0 HE2 PHE B 122 18.247 -16.232 -17.320 1.00 0.00 H new ATOM 0 HZ PHE B 122 18.826 -16.859 -15.009 1.00 0.00 H new ATOM 956 N ILE B 123 23.510 -19.478 -21.239 1.00 0.00 N ATOM 957 CA ILE B 123 24.072 -20.089 -22.437 1.00 0.00 C ATOM 958 C ILE B 123 25.438 -20.704 -22.151 1.00 0.00 C ATOM 959 O ILE B 123 25.690 -21.864 -22.480 1.00 0.00 O ATOM 960 CB ILE B 123 24.211 -19.065 -23.579 1.00 0.00 C ATOM 961 CG1 ILE B 123 22.934 -19.029 -24.419 1.00 0.00 C ATOM 962 CG2 ILE B 123 25.415 -19.401 -24.447 1.00 0.00 C ATOM 963 CD1 ILE B 123 21.995 -17.904 -24.045 1.00 0.00 C ATOM 0 H ILE B 123 23.180 -18.522 -21.368 1.00 0.00 H new ATOM 0 HA ILE B 123 23.381 -20.873 -22.746 1.00 0.00 H new ATOM 0 HB ILE B 123 24.365 -18.077 -23.145 1.00 0.00 H new ATOM 0 HG12 ILE B 123 23.203 -18.932 -25.471 1.00 0.00 H new ATOM 0 HG13 ILE B 123 22.411 -19.979 -24.311 1.00 0.00 H new ATOM 0 HG21 ILE B 123 25.500 -18.669 -25.250 1.00 0.00 H new ATOM 0 HG22 ILE B 123 26.319 -19.380 -23.839 1.00 0.00 H new ATOM 0 HG23 ILE B 123 25.289 -20.395 -24.875 1.00 0.00 H new ATOM 0 HD11 ILE B 123 21.111 -17.941 -24.682 1.00 0.00 H new ATOM 0 HD12 ILE B 123 21.696 -18.011 -23.002 1.00 0.00 H new ATOM 0 HD13 ILE B 123 22.500 -16.948 -24.181 1.00 0.00 H new ATOM 975 N VAL B 124 26.317 -19.920 -21.535 1.00 0.00 N ATOM 976 CA VAL B 124 27.657 -20.388 -21.202 1.00 0.00 C ATOM 977 C VAL B 124 27.610 -21.479 -20.139 1.00 0.00 C ATOM 978 O VAL B 124 28.335 -22.471 -20.219 1.00 0.00 O ATOM 979 CB VAL B 124 28.545 -19.234 -20.699 1.00 0.00 C ATOM 980 CG1 VAL B 124 29.824 -19.776 -20.079 1.00 0.00 C ATOM 981 CG2 VAL B 124 28.860 -18.271 -21.833 1.00 0.00 C ATOM 0 H VAL B 124 26.125 -18.958 -21.256 1.00 0.00 H new ATOM 0 HA VAL B 124 28.087 -20.795 -22.117 1.00 0.00 H new ATOM 0 HB VAL B 124 27.999 -18.688 -19.930 1.00 0.00 H new ATOM 0 HG11 VAL B 124 30.439 -18.947 -19.729 1.00 0.00 H new ATOM 0 HG12 VAL B 124 29.575 -20.423 -19.238 1.00 0.00 H new ATOM 0 HG13 VAL B 124 30.376 -20.348 -20.825 1.00 0.00 H new ATOM 0 HG21 VAL B 124 29.488 -17.462 -21.460 1.00 0.00 H new ATOM 0 HG22 VAL B 124 29.386 -18.802 -22.626 1.00 0.00 H new ATOM 0 HG23 VAL B 124 27.932 -17.857 -22.227 1.00 0.00 H new ATOM 991 N LEU B 125 26.751 -21.290 -19.143 1.00 0.00 N ATOM 992 CA LEU B 125 26.607 -22.259 -18.062 1.00 0.00 C ATOM 993 C LEU B 125 26.286 -23.645 -18.612 1.00 0.00 C ATOM 994 O LEU B 125 26.763 -24.656 -18.095 1.00 0.00 O ATOM 995 CB LEU B 125 25.509 -21.815 -17.095 1.00 0.00 C ATOM 996 CG LEU B 125 25.961 -20.949 -15.918 1.00 0.00 C ATOM 997 CD1 LEU B 125 24.780 -20.603 -15.025 1.00 0.00 C ATOM 998 CD2 LEU B 125 27.046 -21.658 -15.120 1.00 0.00 C ATOM 0 H LEU B 125 26.144 -20.475 -19.062 1.00 0.00 H new ATOM 0 HA LEU B 125 27.555 -22.311 -17.526 1.00 0.00 H new ATOM 0 HB2 LEU B 125 24.757 -21.263 -17.659 1.00 0.00 H new ATOM 0 HB3 LEU B 125 25.020 -22.705 -16.699 1.00 0.00 H new ATOM 0 HG LEU B 125 26.375 -20.021 -16.313 1.00 0.00 H new ATOM 0 HD11 LEU B 125 25.121 -19.987 -14.193 1.00 0.00 H new ATOM 0 HD12 LEU B 125 24.036 -20.054 -15.602 1.00 0.00 H new ATOM 0 HD13 LEU B 125 24.335 -21.520 -14.638 1.00 0.00 H new ATOM 0 HD21 LEU B 125 27.356 -21.027 -14.287 1.00 0.00 H new ATOM 0 HD22 LEU B 125 26.658 -22.602 -14.736 1.00 0.00 H new ATOM 0 HD23 LEU B 125 27.903 -21.854 -15.765 1.00 0.00 H new ATOM 1010 N LEU B 126 25.476 -23.684 -19.664 1.00 0.00 N ATOM 1011 CA LEU B 126 25.092 -24.947 -20.287 1.00 0.00 C ATOM 1012 C LEU B 126 26.323 -25.769 -20.654 1.00 0.00 C ATOM 1013 O LEU B 126 26.412 -26.952 -20.323 1.00 0.00 O ATOM 1014 CB LEU B 126 24.248 -24.686 -21.536 1.00 0.00 C ATOM 1015 CG LEU B 126 22.732 -24.751 -21.348 1.00 0.00 C ATOM 1016 CD1 LEU B 126 22.318 -26.115 -20.819 1.00 0.00 C ATOM 1017 CD2 LEU B 126 22.263 -23.648 -20.410 1.00 0.00 C ATOM 0 H LEU B 126 25.072 -22.857 -20.104 1.00 0.00 H new ATOM 0 HA LEU B 126 24.500 -25.514 -19.568 1.00 0.00 H new ATOM 0 HB2 LEU B 126 24.504 -23.700 -21.923 1.00 0.00 H new ATOM 0 HB3 LEU B 126 24.531 -25.411 -22.299 1.00 0.00 H new ATOM 0 HG LEU B 126 22.258 -24.601 -22.318 1.00 0.00 H new ATOM 0 HD11 LEU B 126 21.236 -26.143 -20.691 1.00 0.00 H new ATOM 0 HD12 LEU B 126 22.620 -26.887 -21.527 1.00 0.00 H new ATOM 0 HD13 LEU B 126 22.801 -26.295 -19.859 1.00 0.00 H new ATOM 0 HD21 LEU B 126 21.182 -23.710 -20.288 1.00 0.00 H new ATOM 0 HD22 LEU B 126 22.745 -23.766 -19.440 1.00 0.00 H new ATOM 0 HD23 LEU B 126 22.526 -22.677 -20.830 1.00 0.00 H new ATOM 1029 N ILE B 127 27.270 -25.136 -21.338 1.00 0.00 N ATOM 1030 CA ILE B 127 28.496 -25.808 -21.746 1.00 0.00 C ATOM 1031 C ILE B 127 29.351 -26.175 -20.537 1.00 0.00 C ATOM 1032 O ILE B 127 29.803 -27.313 -20.406 1.00 0.00 O ATOM 1033 CB ILE B 127 29.328 -24.932 -22.701 1.00 0.00 C ATOM 1034 CG1 ILE B 127 28.953 -25.226 -24.155 1.00 0.00 C ATOM 1035 CG2 ILE B 127 30.814 -25.164 -22.474 1.00 0.00 C ATOM 1036 CD1 ILE B 127 28.039 -24.186 -24.765 1.00 0.00 C ATOM 0 H ILE B 127 27.211 -24.158 -21.621 1.00 0.00 H new ATOM 0 HA ILE B 127 28.198 -26.718 -22.267 1.00 0.00 H new ATOM 0 HB ILE B 127 29.108 -23.885 -22.494 1.00 0.00 H new ATOM 0 HG12 ILE B 127 29.864 -25.292 -24.750 1.00 0.00 H new ATOM 0 HG13 ILE B 127 28.467 -26.200 -24.207 1.00 0.00 H new ATOM 0 HG21 ILE B 127 31.388 -24.538 -23.157 1.00 0.00 H new ATOM 0 HG22 ILE B 127 31.069 -24.909 -21.445 1.00 0.00 H new ATOM 0 HG23 ILE B 127 31.051 -26.212 -22.657 1.00 0.00 H new ATOM 0 HD11 ILE B 127 27.815 -24.459 -25.796 1.00 0.00 H new ATOM 0 HD12 ILE B 127 27.112 -24.136 -24.193 1.00 0.00 H new ATOM 0 HD13 ILE B 127 28.531 -23.213 -24.746 1.00 0.00 H new ATOM 1048 N HIS B 128 29.566 -25.205 -19.655 1.00 0.00 N ATOM 1049 CA HIS B 128 30.365 -25.426 -18.455 1.00 0.00 C ATOM 1050 C HIS B 128 29.912 -26.688 -17.726 1.00 0.00 C ATOM 1051 O HIS B 128 30.723 -27.399 -17.133 1.00 0.00 O ATOM 1052 CB HIS B 128 30.264 -24.220 -17.520 1.00 0.00 C ATOM 1053 CG HIS B 128 30.898 -24.445 -16.182 1.00 0.00 C ATOM 1054 ND1 HIS B 128 32.143 -23.956 -15.847 1.00 0.00 N ATOM 1055 CD2 HIS B 128 30.451 -25.110 -15.091 1.00 0.00 C ATOM 1056 CE1 HIS B 128 32.435 -24.311 -14.609 1.00 0.00 C ATOM 1057 NE2 HIS B 128 31.424 -25.012 -14.128 1.00 0.00 N ATOM 0 H HIS B 128 29.198 -24.258 -19.748 1.00 0.00 H new ATOM 0 HA HIS B 128 31.404 -25.555 -18.759 1.00 0.00 H new ATOM 0 HB2 HIS B 128 30.736 -23.361 -17.997 1.00 0.00 H new ATOM 0 HB3 HIS B 128 29.213 -23.968 -17.377 1.00 0.00 H new ATOM 0 HD2 HIS B 128 29.505 -25.622 -14.996 1.00 0.00 H new ATOM 0 HE1 HIS B 128 33.345 -24.069 -14.080 1.00 0.00 H new ATOM 0 HE2 HIS B 128 31.374 -25.415 -13.192 1.00 0.00 H new ATOM 1065 N PHE B 129 28.612 -26.960 -17.776 1.00 0.00 N ATOM 1066 CA PHE B 129 28.051 -28.135 -17.119 1.00 0.00 C ATOM 1067 C PHE B 129 27.934 -29.300 -18.097 1.00 0.00 C ATOM 1068 O PHE B 129 27.953 -30.463 -17.697 1.00 0.00 O ATOM 1069 CB PHE B 129 26.677 -27.809 -16.530 1.00 0.00 C ATOM 1070 CG PHE B 129 26.743 -27.180 -15.167 1.00 0.00 C ATOM 1071 CD1 PHE B 129 27.273 -27.877 -14.093 1.00 0.00 C ATOM 1072 CD2 PHE B 129 26.275 -25.893 -14.960 1.00 0.00 C ATOM 1073 CE1 PHE B 129 27.335 -27.301 -12.838 1.00 0.00 C ATOM 1074 CE2 PHE B 129 26.335 -25.312 -13.708 1.00 0.00 C ATOM 1075 CZ PHE B 129 26.865 -26.018 -12.645 1.00 0.00 C ATOM 0 H PHE B 129 27.927 -26.383 -18.265 1.00 0.00 H new ATOM 0 HA PHE B 129 28.724 -28.426 -16.313 1.00 0.00 H new ATOM 0 HB2 PHE B 129 26.151 -27.136 -17.207 1.00 0.00 H new ATOM 0 HB3 PHE B 129 26.089 -28.725 -16.471 1.00 0.00 H new ATOM 0 HD1 PHE B 129 27.642 -28.882 -14.238 1.00 0.00 H new ATOM 0 HD2 PHE B 129 25.858 -25.337 -15.787 1.00 0.00 H new ATOM 0 HE1 PHE B 129 27.751 -27.855 -12.009 1.00 0.00 H new ATOM 0 HE2 PHE B 129 25.968 -24.307 -13.560 1.00 0.00 H new ATOM 0 HZ PHE B 129 26.911 -25.567 -11.665 1.00 0.00 H new ATOM 1085 N GLU B 130 27.812 -28.977 -19.381 1.00 0.00 N ATOM 1086 CA GLU B 130 27.690 -29.997 -20.416 1.00 0.00 C ATOM 1087 C GLU B 130 29.055 -30.583 -20.766 1.00 0.00 C ATOM 1088 O GLU B 130 29.198 -31.307 -21.750 1.00 0.00 O ATOM 1089 CB GLU B 130 27.039 -29.409 -21.669 1.00 0.00 C ATOM 1090 CG GLU B 130 25.520 -29.396 -21.617 1.00 0.00 C ATOM 1091 CD GLU B 130 24.912 -28.386 -22.571 1.00 0.00 C ATOM 1092 OE1 GLU B 130 25.666 -27.547 -23.108 1.00 0.00 O ATOM 1093 OE2 GLU B 130 23.682 -28.434 -22.780 1.00 0.00 O ATOM 0 H GLU B 130 27.795 -28.018 -19.729 1.00 0.00 H new ATOM 0 HA GLU B 130 27.059 -30.797 -20.029 1.00 0.00 H new ATOM 0 HB2 GLU B 130 27.398 -28.390 -21.810 1.00 0.00 H new ATOM 0 HB3 GLU B 130 27.359 -29.983 -22.538 1.00 0.00 H new ATOM 0 HG2 GLU B 130 25.143 -30.390 -21.858 1.00 0.00 H new ATOM 0 HG3 GLU B 130 25.197 -29.170 -20.601 1.00 0.00 H new ATOM 1100 N GLY B 131 30.056 -30.262 -19.952 1.00 0.00 N ATOM 1101 CA GLY B 131 31.397 -30.764 -20.192 1.00 0.00 C ATOM 1102 C GLY B 131 32.423 -29.652 -20.289 1.00 0.00 C ATOM 1103 O GLY B 131 33.119 -29.528 -21.296 1.00 0.00 O ATOM 0 H GLY B 131 29.963 -29.664 -19.131 1.00 0.00 H new ATOM 0 HA2 GLY B 131 31.677 -31.443 -19.387 1.00 0.00 H new ATOM 0 HA3 GLY B 131 31.405 -31.343 -21.115 1.00 0.00 H new ATOM 1107 N TRP B 132 32.516 -28.842 -19.241 1.00 0.00 N ATOM 1108 CA TRP B 132 33.463 -27.734 -19.213 1.00 0.00 C ATOM 1109 C TRP B 132 34.848 -28.191 -19.657 1.00 0.00 C ATOM 1110 O TRP B 132 35.632 -27.402 -20.187 1.00 0.00 O ATOM 1111 CB TRP B 132 33.537 -27.134 -17.808 1.00 0.00 C ATOM 1112 CG TRP B 132 34.780 -26.332 -17.569 1.00 0.00 C ATOM 1113 CD1 TRP B 132 35.817 -26.653 -16.740 1.00 0.00 C ATOM 1114 CD2 TRP B 132 35.115 -25.073 -18.164 1.00 0.00 C ATOM 1115 NE1 TRP B 132 36.776 -25.671 -16.784 1.00 0.00 N ATOM 1116 CE2 TRP B 132 36.370 -24.691 -17.651 1.00 0.00 C ATOM 1117 CE3 TRP B 132 34.478 -24.234 -19.082 1.00 0.00 C ATOM 1118 CZ2 TRP B 132 36.997 -23.505 -18.025 1.00 0.00 C ATOM 1119 CZ3 TRP B 132 35.102 -23.057 -19.452 1.00 0.00 C ATOM 1120 CH2 TRP B 132 36.351 -22.702 -18.925 1.00 0.00 C ATOM 0 H TRP B 132 31.947 -28.932 -18.399 1.00 0.00 H new ATOM 0 HA TRP B 132 33.112 -26.971 -19.908 1.00 0.00 H new ATOM 0 HB2 TRP B 132 32.666 -26.498 -17.646 1.00 0.00 H new ATOM 0 HB3 TRP B 132 33.486 -27.938 -17.074 1.00 0.00 H new ATOM 0 HD1 TRP B 132 35.874 -27.548 -16.138 1.00 0.00 H new ATOM 0 HE1 TRP B 132 37.649 -25.671 -16.257 1.00 0.00 H new ATOM 0 HE3 TRP B 132 33.516 -24.500 -19.495 1.00 0.00 H new ATOM 0 HZ2 TRP B 132 37.959 -23.229 -17.619 1.00 0.00 H new ATOM 0 HZ3 TRP B 132 34.618 -22.400 -20.160 1.00 0.00 H new ATOM 0 HH2 TRP B 132 36.813 -21.776 -19.235 1.00 0.00 H new