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= -0.112 K(o=-0.11,f=0.73) USER MOD Single : A 14 THR OG1 : rot 179:sc= 1.02 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.082) 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 178:sc= 1.03 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 128 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 8 11.181 -9.793 -5.612 1.00 0.00 N ATOM 101 CA LEU A 8 11.949 -11.033 -5.630 1.00 0.00 C ATOM 102 C LEU A 8 11.327 -12.045 -6.586 1.00 0.00 C ATOM 103 O LEU A 8 12.035 -12.752 -7.305 1.00 0.00 O ATOM 104 CB LEU A 8 12.029 -11.627 -4.222 1.00 0.00 C ATOM 105 CG LEU A 8 13.263 -11.248 -3.403 1.00 0.00 C ATOM 106 CD1 LEU A 8 14.525 -11.786 -4.058 1.00 0.00 C ATOM 107 CD2 LEU A 8 13.349 -9.738 -3.236 1.00 0.00 C ATOM 0 HA LEU A 8 12.956 -10.803 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.142 -11.319 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.992 -12.713 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 8 13.171 -11.698 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.393 -11.506 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.466 -12.872 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.623 -11.366 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.233 -9.486 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.417 -9.267 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.458 -9.378 -2.721 1.00 0.00 H new ATOM 119 N PHE A 9 10.000 -12.108 -6.592 1.00 0.00 N ATOM 120 CA PHE A 9 9.282 -13.032 -7.462 1.00 0.00 C ATOM 121 C PHE A 9 9.794 -12.939 -8.896 1.00 0.00 C ATOM 122 O PHE A 9 10.106 -13.951 -9.524 1.00 0.00 O ATOM 123 CB PHE A 9 7.781 -12.739 -7.425 1.00 0.00 C ATOM 124 CG PHE A 9 7.009 -13.678 -6.542 1.00 0.00 C ATOM 125 CD1 PHE A 9 6.836 -15.005 -6.902 1.00 0.00 C ATOM 126 CD2 PHE A 9 6.455 -13.233 -5.353 1.00 0.00 C ATOM 127 CE1 PHE A 9 6.127 -15.871 -6.092 1.00 0.00 C ATOM 128 CE2 PHE A 9 5.745 -14.095 -4.538 1.00 0.00 C ATOM 129 CZ PHE A 9 5.579 -15.415 -4.909 1.00 0.00 C ATOM 0 H PHE A 9 9.400 -11.530 -6.004 1.00 0.00 H new ATOM 0 HA PHE A 9 9.457 -14.044 -7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.627 -11.717 -7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.383 -12.795 -8.438 1.00 0.00 H new ATOM 0 HD1 PHE A 9 7.261 -15.367 -7.827 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.579 -12.201 -5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.001 -16.903 -6.383 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.320 -13.736 -3.612 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.022 -16.089 -4.275 1.00 0.00 H new ATOM 139 N PHE A 10 9.878 -11.716 -9.410 1.00 0.00 N ATOM 140 CA PHE A 10 10.351 -11.488 -10.770 1.00 0.00 C ATOM 141 C PHE A 10 11.834 -11.826 -10.894 1.00 0.00 C ATOM 142 O PHE A 10 12.272 -12.385 -11.899 1.00 0.00 O ATOM 143 CB PHE A 10 10.111 -10.034 -11.180 1.00 0.00 C ATOM 144 CG PHE A 10 10.789 -9.654 -12.465 1.00 0.00 C ATOM 145 CD1 PHE A 10 12.094 -9.188 -12.465 1.00 0.00 C ATOM 146 CD2 PHE A 10 10.120 -9.761 -13.674 1.00 0.00 C ATOM 147 CE1 PHE A 10 12.720 -8.838 -13.646 1.00 0.00 C ATOM 148 CE2 PHE A 10 10.742 -9.413 -14.859 1.00 0.00 C ATOM 149 CZ PHE A 10 12.043 -8.949 -14.844 1.00 0.00 C ATOM 0 H PHE A 10 9.624 -10.867 -8.904 1.00 0.00 H new ATOM 0 HA PHE A 10 9.790 -12.143 -11.437 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.039 -9.865 -11.281 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.464 -9.378 -10.384 1.00 0.00 H new ATOM 0 HD1 PHE A 10 12.628 -9.097 -11.531 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.102 -10.120 -13.691 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.738 -8.478 -13.632 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.211 -9.504 -15.795 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.530 -8.674 -15.768 1.00 0.00 H new ATOM 159 N MET A 11 12.601 -11.481 -9.865 1.00 0.00 N ATOM 160 CA MET A 11 14.035 -11.748 -9.858 1.00 0.00 C ATOM 161 C MET A 11 14.312 -13.236 -10.048 1.00 0.00 C ATOM 162 O MET A 11 15.248 -13.617 -10.751 1.00 0.00 O ATOM 163 CB MET A 11 14.659 -11.263 -8.548 1.00 0.00 C ATOM 164 CG MET A 11 15.169 -9.833 -8.611 1.00 0.00 C ATOM 165 SD MET A 11 13.864 -8.645 -8.981 1.00 0.00 S ATOM 166 CE MET A 11 14.301 -7.306 -7.875 1.00 0.00 C ATOM 0 H MET A 11 12.254 -11.016 -9.026 1.00 0.00 H new ATOM 0 HA MET A 11 14.485 -11.205 -10.689 1.00 0.00 H new ATOM 0 HB2 MET A 11 13.919 -11.341 -7.752 1.00 0.00 H new ATOM 0 HB3 MET A 11 15.485 -11.923 -8.282 1.00 0.00 H new ATOM 0 HG2 MET A 11 15.631 -9.574 -7.658 1.00 0.00 H new ATOM 0 HG3 MET A 11 15.946 -9.762 -9.372 1.00 0.00 H new ATOM 0 HE1 MET A 11 13.584 -6.493 -7.987 1.00 0.00 H new ATOM 0 HE2 MET A 11 14.285 -7.664 -6.846 1.00 0.00 H new ATOM 0 HE3 MET A 11 15.300 -6.945 -8.118 1.00 0.00 H new ATOM 176 N ILE A 12 13.493 -14.070 -9.416 1.00 0.00 N ATOM 177 CA ILE A 12 13.651 -15.516 -9.516 1.00 0.00 C ATOM 178 C ILE A 12 12.971 -16.057 -10.769 1.00 0.00 C ATOM 179 O ILE A 12 13.597 -16.735 -11.584 1.00 0.00 O ATOM 180 CB ILE A 12 13.073 -16.232 -8.282 1.00 0.00 C ATOM 181 CG1 ILE A 12 13.884 -15.879 -7.033 1.00 0.00 C ATOM 182 CG2 ILE A 12 13.058 -17.738 -8.501 1.00 0.00 C ATOM 183 CD1 ILE A 12 13.098 -15.098 -6.003 1.00 0.00 C ATOM 0 H ILE A 12 12.714 -13.770 -8.830 1.00 0.00 H new ATOM 0 HA ILE A 12 14.721 -15.714 -9.572 1.00 0.00 H new ATOM 0 HB ILE A 12 12.047 -15.895 -8.134 1.00 0.00 H new ATOM 0 HG12 ILE A 12 14.252 -16.798 -6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.757 -15.298 -7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.647 -18.230 -7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.442 -17.973 -9.369 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.075 -18.091 -8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.735 -14.883 -5.145 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.752 -14.162 -6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.239 -15.686 -5.678 1.00 0.00 H new ATOM 195 N ASN A 13 11.686 -15.753 -10.917 1.00 0.00 N ATOM 196 CA ASN A 13 10.920 -16.208 -12.072 1.00 0.00 C ATOM 197 C ASN A 13 11.651 -15.883 -13.371 1.00 0.00 C ATOM 198 O ASN A 13 11.813 -16.744 -14.237 1.00 0.00 O ATOM 199 CB ASN A 13 9.534 -15.560 -12.078 1.00 0.00 C ATOM 200 CG ASN A 13 8.559 -16.272 -11.160 1.00 0.00 C ATOM 201 OD1 ASN A 13 8.187 -15.752 -10.108 1.00 0.00 O ATOM 202 ND2 ASN A 13 8.141 -17.469 -11.555 1.00 0.00 N ATOM 0 H ASN A 13 11.153 -15.193 -10.252 1.00 0.00 H new ATOM 0 HA ASN A 13 10.808 -17.290 -11.999 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.622 -14.518 -11.772 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.140 -15.562 -13.094 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.485 -17.996 -10.978 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.476 -17.861 -12.435 1.00 0.00 H new ATOM 209 N THR A 14 12.092 -14.636 -13.500 1.00 0.00 N ATOM 210 CA THR A 14 12.805 -14.197 -14.693 1.00 0.00 C ATOM 211 C THR A 14 13.963 -15.134 -15.017 1.00 0.00 C ATOM 212 O THR A 14 14.283 -15.360 -16.184 1.00 0.00 O ATOM 213 CB THR A 14 13.348 -12.765 -14.528 1.00 0.00 C ATOM 214 OG1 THR A 14 12.264 -11.830 -14.492 1.00 0.00 O ATOM 215 CG2 THR A 14 14.294 -12.410 -15.666 1.00 0.00 C ATOM 0 H THR A 14 11.968 -13.912 -12.793 1.00 0.00 H new ATOM 0 HA THR A 14 12.088 -14.213 -15.514 1.00 0.00 H new ATOM 0 HB THR A 14 13.900 -12.716 -13.589 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.617 -10.925 -14.363 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.664 -11.394 -15.528 1.00 0.00 H new ATOM 0 HG22 THR A 14 15.134 -13.105 -15.671 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.762 -12.476 -16.615 1.00 0.00 H new ATOM 223 N SER A 15 14.588 -15.676 -13.977 1.00 0.00 N ATOM 224 CA SER A 15 15.714 -16.587 -14.152 1.00 0.00 C ATOM 225 C SER A 15 15.252 -17.913 -14.747 1.00 0.00 C ATOM 226 O SER A 15 15.644 -18.278 -15.856 1.00 0.00 O ATOM 227 CB SER A 15 16.412 -16.831 -12.813 1.00 0.00 C ATOM 228 OG SER A 15 17.794 -17.082 -12.996 1.00 0.00 O ATOM 0 H SER A 15 14.334 -15.501 -13.005 1.00 0.00 H new ATOM 0 HA SER A 15 16.420 -16.125 -14.843 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.279 -15.963 -12.167 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.949 -17.679 -12.307 1.00 0.00 H new ATOM 0 HG SER A 15 18.217 -17.233 -12.125 1.00 0.00 H new ATOM 234 N ILE A 16 14.418 -18.630 -14.002 1.00 0.00 N ATOM 235 CA ILE A 16 13.901 -19.915 -14.456 1.00 0.00 C ATOM 236 C ILE A 16 13.321 -19.809 -15.862 1.00 0.00 C ATOM 237 O ILE A 16 13.310 -20.783 -16.616 1.00 0.00 O ATOM 238 CB ILE A 16 12.816 -20.454 -13.504 1.00 0.00 C ATOM 239 CG1 ILE A 16 13.386 -20.633 -12.096 1.00 0.00 C ATOM 240 CG2 ILE A 16 12.259 -21.769 -14.027 1.00 0.00 C ATOM 241 CD1 ILE A 16 12.991 -19.529 -11.140 1.00 0.00 C ATOM 0 H ILE A 16 14.086 -18.343 -13.081 1.00 0.00 H new ATOM 0 HA ILE A 16 14.742 -20.608 -14.464 1.00 0.00 H new ATOM 0 HB ILE A 16 12.002 -19.730 -13.457 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.048 -21.588 -11.695 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.473 -20.679 -12.156 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.494 -22.137 -13.344 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.821 -21.612 -15.013 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.063 -22.501 -14.100 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.430 -19.721 -10.161 1.00 0.00 H new ATOM 0 HD12 ILE A 16 13.352 -18.573 -11.519 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.905 -19.497 -11.050 1.00 0.00 H new ATOM 253 N LEU A 17 12.840 -18.621 -16.210 1.00 0.00 N ATOM 254 CA LEU A 17 12.260 -18.386 -17.527 1.00 0.00 C ATOM 255 C LEU A 17 13.347 -18.107 -18.560 1.00 0.00 C ATOM 256 O LEU A 17 13.474 -18.824 -19.553 1.00 0.00 O ATOM 257 CB LEU A 17 11.280 -17.212 -17.472 1.00 0.00 C ATOM 258 CG LEU A 17 9.824 -17.537 -17.811 1.00 0.00 C ATOM 259 CD1 LEU A 17 8.941 -16.318 -17.595 1.00 0.00 C ATOM 260 CD2 LEU A 17 9.709 -18.034 -19.244 1.00 0.00 C ATOM 0 H LEU A 17 12.840 -17.805 -15.598 1.00 0.00 H new ATOM 0 HA LEU A 17 11.724 -19.287 -17.826 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.312 -16.784 -16.470 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.629 -16.441 -18.159 1.00 0.00 H new ATOM 0 HG LEU A 17 9.483 -18.329 -17.144 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.909 -16.568 -17.841 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.000 -16.006 -16.552 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.280 -15.505 -18.237 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.667 -18.260 -19.468 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.068 -17.263 -19.926 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.310 -18.935 -19.366 1.00 0.00 H new ATOM 272 N LEU A 18 14.132 -17.063 -18.317 1.00 0.00 N ATOM 273 CA LEU A 18 15.211 -16.690 -19.225 1.00 0.00 C ATOM 274 C LEU A 18 16.108 -17.887 -19.525 1.00 0.00 C ATOM 275 O LEU A 18 16.604 -18.038 -20.642 1.00 0.00 O ATOM 276 CB LEU A 18 16.041 -15.554 -18.623 1.00 0.00 C ATOM 277 CG LEU A 18 15.432 -14.155 -18.717 1.00 0.00 C ATOM 278 CD1 LEU A 18 16.448 -13.102 -18.302 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.929 -13.886 -20.128 1.00 0.00 C ATOM 0 H LEU A 18 14.042 -16.460 -17.499 1.00 0.00 H new ATOM 0 HA LEU A 18 14.765 -16.350 -20.160 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.221 -15.780 -17.572 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.012 -15.539 -19.117 1.00 0.00 H new ATOM 0 HG LEU A 18 14.584 -14.102 -18.034 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.997 -12.112 -18.375 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.760 -13.283 -17.274 1.00 0.00 H new ATOM 0 HD13 LEU A 18 17.316 -13.155 -18.959 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.499 -12.886 -20.176 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.759 -13.958 -20.830 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.168 -14.621 -20.389 1.00 0.00 H new ATOM 291 N ILE A 19 16.310 -18.735 -18.523 1.00 0.00 N ATOM 292 CA ILE A 19 17.144 -19.920 -18.681 1.00 0.00 C ATOM 293 C ILE A 19 16.575 -20.854 -19.743 1.00 0.00 C ATOM 294 O ILE A 19 17.189 -21.071 -20.788 1.00 0.00 O ATOM 295 CB ILE A 19 17.283 -20.691 -17.355 1.00 0.00 C ATOM 296 CG1 ILE A 19 18.005 -19.834 -16.314 1.00 0.00 C ATOM 297 CG2 ILE A 19 18.026 -22.000 -17.579 1.00 0.00 C ATOM 298 CD1 ILE A 19 17.635 -20.176 -14.888 1.00 0.00 C ATOM 0 H ILE A 19 15.907 -18.624 -17.592 1.00 0.00 H new ATOM 0 HA ILE A 19 18.129 -19.574 -18.995 1.00 0.00 H new ATOM 0 HB ILE A 19 16.286 -20.921 -16.980 1.00 0.00 H new ATOM 0 HG12 ILE A 19 19.081 -19.953 -16.440 1.00 0.00 H new ATOM 0 HG13 ILE A 19 17.777 -18.784 -16.498 1.00 0.00 H new ATOM 0 HG21 ILE A 19 18.116 -22.534 -16.633 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.474 -22.614 -18.291 1.00 0.00 H new ATOM 0 HG23 ILE A 19 19.020 -21.791 -17.974 1.00 0.00 H new ATOM 0 HD11 ILE A 19 18.185 -19.529 -14.204 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.564 -20.029 -14.745 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.889 -21.217 -14.686 1.00 0.00 H new ATOM 310 N PHE A 20 15.396 -21.404 -19.469 1.00 0.00 N ATOM 311 CA PHE A 20 14.743 -22.315 -20.402 1.00 0.00 C ATOM 312 C PHE A 20 14.426 -21.612 -21.718 1.00 0.00 C ATOM 313 O PHE A 20 14.295 -22.253 -22.761 1.00 0.00 O ATOM 314 CB PHE A 20 13.458 -22.874 -19.787 1.00 0.00 C ATOM 315 CG PHE A 20 12.835 -23.975 -20.596 1.00 0.00 C ATOM 316 CD1 PHE A 20 13.525 -25.154 -20.834 1.00 0.00 C ATOM 317 CD2 PHE A 20 11.561 -23.832 -21.120 1.00 0.00 C ATOM 318 CE1 PHE A 20 12.954 -26.168 -21.579 1.00 0.00 C ATOM 319 CE2 PHE A 20 10.984 -24.843 -21.866 1.00 0.00 C ATOM 320 CZ PHE A 20 11.682 -26.013 -22.095 1.00 0.00 C ATOM 0 H PHE A 20 14.874 -21.235 -18.609 1.00 0.00 H new ATOM 0 HA PHE A 20 15.428 -23.138 -20.606 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.676 -23.248 -18.787 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.737 -22.064 -19.674 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.520 -25.281 -20.433 1.00 0.00 H new ATOM 0 HD2 PHE A 20 11.011 -22.919 -20.944 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.502 -27.081 -21.758 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.990 -24.718 -22.269 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.234 -26.805 -22.676 1.00 0.00 H new ATOM 330 N ILE A 21 14.304 -20.290 -21.661 1.00 0.00 N ATOM 331 CA ILE A 21 14.002 -19.499 -22.847 1.00 0.00 C ATOM 332 C ILE A 21 15.204 -19.433 -23.784 1.00 0.00 C ATOM 333 O ILE A 21 15.099 -19.751 -24.968 1.00 0.00 O ATOM 334 CB ILE A 21 13.576 -18.066 -22.475 1.00 0.00 C ATOM 335 CG1 ILE A 21 12.064 -18.003 -22.250 1.00 0.00 C ATOM 336 CG2 ILE A 21 13.997 -17.089 -23.563 1.00 0.00 C ATOM 337 CD1 ILE A 21 11.593 -16.684 -21.677 1.00 0.00 C ATOM 0 H ILE A 21 14.410 -19.744 -20.806 1.00 0.00 H new ATOM 0 HA ILE A 21 13.175 -19.995 -23.355 1.00 0.00 H new ATOM 0 HB ILE A 21 14.074 -17.783 -21.548 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.556 -18.180 -23.198 1.00 0.00 H new ATOM 0 HG13 ILE A 21 11.771 -18.808 -21.576 1.00 0.00 H new ATOM 0 HG21 ILE A 21 13.689 -16.081 -23.286 1.00 0.00 H new ATOM 0 HG22 ILE A 21 15.080 -17.118 -23.679 1.00 0.00 H new ATOM 0 HG23 ILE A 21 13.524 -17.367 -24.505 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.511 -16.711 -21.544 1.00 0.00 H new ATOM 0 HD12 ILE A 21 12.073 -16.514 -20.713 1.00 0.00 H new ATOM 0 HD13 ILE A 21 11.855 -15.876 -22.361 1.00 0.00 H new ATOM 349 N PHE A 22 16.346 -19.019 -23.244 1.00 0.00 N ATOM 350 CA PHE A 22 17.568 -18.912 -24.031 1.00 0.00 C ATOM 351 C PHE A 22 18.089 -20.294 -24.418 1.00 0.00 C ATOM 352 O PHE A 22 18.351 -20.564 -25.590 1.00 0.00 O ATOM 353 CB PHE A 22 18.640 -18.152 -23.247 1.00 0.00 C ATOM 354 CG PHE A 22 18.238 -16.751 -22.886 1.00 0.00 C ATOM 355 CD1 PHE A 22 17.517 -15.972 -23.776 1.00 0.00 C ATOM 356 CD2 PHE A 22 18.581 -16.213 -21.656 1.00 0.00 C ATOM 357 CE1 PHE A 22 17.145 -14.682 -23.447 1.00 0.00 C ATOM 358 CE2 PHE A 22 18.212 -14.924 -21.321 1.00 0.00 C ATOM 359 CZ PHE A 22 17.494 -14.157 -22.218 1.00 0.00 C ATOM 0 H PHE A 22 16.450 -18.752 -22.265 1.00 0.00 H new ATOM 0 HA PHE A 22 17.336 -18.362 -24.943 1.00 0.00 H new ATOM 0 HB2 PHE A 22 18.870 -18.702 -22.334 1.00 0.00 H new ATOM 0 HB3 PHE A 22 19.555 -18.118 -23.838 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.242 -16.377 -24.739 1.00 0.00 H new ATOM 0 HD2 PHE A 22 19.143 -16.808 -20.951 1.00 0.00 H new ATOM 0 HE1 PHE A 22 16.582 -14.086 -24.150 1.00 0.00 H new ATOM 0 HE2 PHE A 22 18.485 -14.517 -20.359 1.00 0.00 H new ATOM 0 HZ PHE A 22 17.206 -13.149 -21.959 1.00 0.00 H new ATOM 369 N ILE A 23 18.236 -21.163 -23.424 1.00 0.00 N ATOM 370 CA ILE A 23 18.724 -22.516 -23.660 1.00 0.00 C ATOM 371 C ILE A 23 17.960 -23.186 -24.796 1.00 0.00 C ATOM 372 O ILE A 23 18.558 -23.749 -25.714 1.00 0.00 O ATOM 373 CB ILE A 23 18.606 -23.386 -22.394 1.00 0.00 C ATOM 374 CG1 ILE A 23 19.879 -23.275 -21.552 1.00 0.00 C ATOM 375 CG2 ILE A 23 18.338 -24.835 -22.770 1.00 0.00 C ATOM 376 CD1 ILE A 23 19.805 -22.205 -20.484 1.00 0.00 C ATOM 0 H ILE A 23 18.024 -20.955 -22.448 1.00 0.00 H new ATOM 0 HA ILE A 23 19.775 -22.428 -23.935 1.00 0.00 H new ATOM 0 HB ILE A 23 17.767 -23.024 -21.800 1.00 0.00 H new ATOM 0 HG12 ILE A 23 20.077 -24.237 -21.079 1.00 0.00 H new ATOM 0 HG13 ILE A 23 20.723 -23.064 -22.209 1.00 0.00 H new ATOM 0 HG21 ILE A 23 18.257 -25.437 -21.865 1.00 0.00 H new ATOM 0 HG22 ILE A 23 17.406 -24.899 -23.332 1.00 0.00 H new ATOM 0 HG23 ILE A 23 19.158 -25.210 -23.383 1.00 0.00 H new ATOM 0 HD11 ILE A 23 20.741 -22.182 -19.926 1.00 0.00 H new ATOM 0 HD12 ILE A 23 19.638 -21.235 -20.952 1.00 0.00 H new ATOM 0 HD13 ILE A 23 18.982 -22.426 -19.804 1.00 0.00 H new ATOM 388 N VAL A 24 16.634 -23.121 -24.730 1.00 0.00 N ATOM 389 CA VAL A 24 15.787 -23.719 -25.755 1.00 0.00 C ATOM 390 C VAL A 24 15.915 -22.972 -27.078 1.00 0.00 C ATOM 391 O VAL A 24 15.924 -23.580 -28.149 1.00 0.00 O ATOM 392 CB VAL A 24 14.308 -23.729 -25.325 1.00 0.00 C ATOM 393 CG1 VAL A 24 13.411 -24.066 -26.506 1.00 0.00 C ATOM 394 CG2 VAL A 24 14.092 -24.712 -24.184 1.00 0.00 C ATOM 0 H VAL A 24 16.123 -22.660 -23.977 1.00 0.00 H new ATOM 0 HA VAL A 24 16.127 -24.746 -25.887 1.00 0.00 H new ATOM 0 HB VAL A 24 14.044 -22.732 -24.971 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.370 -24.068 -26.183 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.546 -23.321 -27.290 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.673 -25.051 -26.893 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.042 -24.706 -23.893 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.373 -25.714 -24.509 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.706 -24.421 -23.332 1.00 0.00 H new ATOM 404 N LEU A 25 16.014 -21.649 -26.997 1.00 0.00 N ATOM 405 CA LEU A 25 16.142 -20.818 -28.189 1.00 0.00 C ATOM 406 C LEU A 25 17.384 -21.200 -28.988 1.00 0.00 C ATOM 407 O LEU A 25 17.389 -21.130 -30.218 1.00 0.00 O ATOM 408 CB LEU A 25 16.208 -19.340 -27.798 1.00 0.00 C ATOM 409 CG LEU A 25 14.869 -18.605 -27.728 1.00 0.00 C ATOM 410 CD1 LEU A 25 15.081 -17.143 -27.364 1.00 0.00 C ATOM 411 CD2 LEU A 25 14.124 -18.724 -29.049 1.00 0.00 C ATOM 0 H LEU A 25 16.008 -21.130 -26.119 1.00 0.00 H new ATOM 0 HA LEU A 25 15.265 -20.984 -28.815 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.693 -19.263 -26.825 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.847 -18.823 -28.514 1.00 0.00 H new ATOM 0 HG LEU A 25 14.263 -19.069 -26.950 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.117 -16.636 -27.319 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.571 -17.077 -26.393 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.706 -16.667 -28.119 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.174 -18.195 -28.980 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.725 -18.287 -29.846 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.939 -19.775 -29.269 1.00 0.00 H new ATOM 423 N LEU A 26 18.434 -21.605 -28.283 1.00 0.00 N ATOM 424 CA LEU A 26 19.682 -22.000 -28.926 1.00 0.00 C ATOM 425 C LEU A 26 19.445 -23.127 -29.927 1.00 0.00 C ATOM 426 O LEU A 26 19.945 -23.087 -31.052 1.00 0.00 O ATOM 427 CB LEU A 26 20.703 -22.442 -27.876 1.00 0.00 C ATOM 428 CG LEU A 26 21.699 -21.376 -27.418 1.00 0.00 C ATOM 429 CD1 LEU A 26 22.493 -20.845 -28.601 1.00 0.00 C ATOM 430 CD2 LEU A 26 20.976 -20.242 -26.706 1.00 0.00 C ATOM 0 H LEU A 26 18.446 -21.669 -27.265 1.00 0.00 H new ATOM 0 HA LEU A 26 20.074 -21.137 -29.464 1.00 0.00 H new ATOM 0 HB2 LEU A 26 20.162 -22.804 -27.002 1.00 0.00 H new ATOM 0 HB3 LEU A 26 21.264 -23.287 -28.276 1.00 0.00 H new ATOM 0 HG LEU A 26 22.395 -21.834 -26.715 1.00 0.00 H new ATOM 0 HD11 LEU A 26 23.197 -20.087 -28.256 1.00 0.00 H new ATOM 0 HD12 LEU A 26 23.041 -21.663 -29.068 1.00 0.00 H new ATOM 0 HD13 LEU A 26 21.811 -20.403 -29.328 1.00 0.00 H new ATOM 0 HD21 LEU A 26 21.700 -19.492 -26.387 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.257 -19.785 -27.386 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.452 -20.635 -25.834 1.00 0.00 H new ATOM 442 N ILE A 27 18.677 -24.129 -29.511 1.00 0.00 N ATOM 443 CA ILE A 27 18.371 -25.264 -30.373 1.00 0.00 C ATOM 444 C ILE A 27 17.476 -24.847 -31.535 1.00 0.00 C ATOM 445 O ILE A 27 17.784 -25.115 -32.697 1.00 0.00 O ATOM 446 CB ILE A 27 17.681 -26.396 -29.588 1.00 0.00 C ATOM 447 CG1 ILE A 27 18.723 -27.365 -29.027 1.00 0.00 C ATOM 448 CG2 ILE A 27 16.692 -27.131 -30.480 1.00 0.00 C ATOM 449 CD1 ILE A 27 19.213 -26.992 -27.645 1.00 0.00 C ATOM 0 H ILE A 27 18.256 -24.178 -28.583 1.00 0.00 H new ATOM 0 HA ILE A 27 19.321 -25.629 -30.763 1.00 0.00 H new ATOM 0 HB ILE A 27 17.133 -25.959 -28.753 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.295 -28.367 -28.994 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.574 -27.404 -29.707 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.212 -27.928 -29.912 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.935 -26.433 -30.836 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.220 -27.560 -31.332 1.00 0.00 H new ATOM 0 HD11 ILE A 27 19.949 -27.723 -27.311 1.00 0.00 H new ATOM 0 HD12 ILE A 27 19.671 -26.003 -27.676 1.00 0.00 H new ATOM 0 HD13 ILE A 27 18.372 -26.981 -26.952 1.00 0.00 H new ATOM 461 N HIS A 28 16.367 -24.188 -31.214 1.00 0.00 N ATOM 462 CA HIS A 28 15.428 -23.731 -32.231 1.00 0.00 C ATOM 463 C HIS A 28 16.157 -23.000 -33.355 1.00 0.00 C ATOM 464 O HIS A 28 15.745 -23.053 -34.514 1.00 0.00 O ATOM 465 CB HIS A 28 14.376 -22.813 -31.609 1.00 0.00 C ATOM 466 CG HIS A 28 13.455 -22.190 -32.612 1.00 0.00 C ATOM 467 ND1 HIS A 28 12.183 -22.660 -32.861 1.00 0.00 N ATOM 468 CD2 HIS A 28 13.628 -21.125 -33.431 1.00 0.00 C ATOM 469 CE1 HIS A 28 11.614 -21.913 -33.791 1.00 0.00 C ATOM 470 NE2 HIS A 28 12.470 -20.974 -34.153 1.00 0.00 N ATOM 0 H HIS A 28 16.097 -23.959 -30.257 1.00 0.00 H new ATOM 0 HA HIS A 28 14.933 -24.606 -32.652 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.786 -23.384 -30.892 1.00 0.00 H new ATOM 0 HB3 HIS A 28 14.879 -22.024 -31.051 1.00 0.00 H new ATOM 0 HD2 HIS A 28 14.512 -20.509 -33.503 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.618 -22.047 -34.188 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.298 -20.254 -34.855 1.00 0.00 H new ATOM 478 N PHE A 29 17.242 -22.317 -33.004 1.00 0.00 N ATOM 479 CA PHE A 29 18.027 -21.574 -33.982 1.00 0.00 C ATOM 480 C PHE A 29 19.199 -22.410 -34.487 1.00 0.00 C ATOM 481 O PHE A 29 19.696 -22.197 -35.592 1.00 0.00 O ATOM 482 CB PHE A 29 18.543 -20.270 -33.369 1.00 0.00 C ATOM 483 CG PHE A 29 17.546 -19.148 -33.421 1.00 0.00 C ATOM 484 CD1 PHE A 29 17.064 -18.688 -34.636 1.00 0.00 C ATOM 485 CD2 PHE A 29 17.091 -18.553 -32.255 1.00 0.00 C ATOM 486 CE1 PHE A 29 16.146 -17.655 -34.687 1.00 0.00 C ATOM 487 CE2 PHE A 29 16.173 -17.521 -32.301 1.00 0.00 C ATOM 488 CZ PHE A 29 15.701 -17.071 -33.518 1.00 0.00 C ATOM 0 H PHE A 29 17.597 -22.263 -32.049 1.00 0.00 H new ATOM 0 HA PHE A 29 17.380 -21.339 -34.827 1.00 0.00 H new ATOM 0 HB2 PHE A 29 18.821 -20.451 -32.331 1.00 0.00 H new ATOM 0 HB3 PHE A 29 19.449 -19.965 -33.893 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.409 -19.141 -35.553 1.00 0.00 H new ATOM 0 HD2 PHE A 29 17.458 -18.900 -31.300 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.778 -17.306 -35.640 1.00 0.00 H new ATOM 0 HE2 PHE A 29 15.825 -17.067 -31.385 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.985 -16.263 -33.555 1.00 0.00 H new ATOM 498 N GLU A 30 19.635 -23.363 -33.668 1.00 0.00 N ATOM 499 CA GLU A 30 20.750 -24.230 -34.032 1.00 0.00 C ATOM 500 C GLU A 30 20.326 -25.246 -35.089 1.00 0.00 C ATOM 501 O GLU A 30 21.120 -26.086 -35.511 1.00 0.00 O ATOM 502 CB GLU A 30 21.283 -24.957 -32.795 1.00 0.00 C ATOM 503 CG GLU A 30 22.459 -24.254 -32.137 1.00 0.00 C ATOM 504 CD GLU A 30 22.616 -24.626 -30.675 1.00 0.00 C ATOM 505 OE1 GLU A 30 21.798 -25.426 -30.176 1.00 0.00 O ATOM 506 OE2 GLU A 30 23.557 -24.117 -30.031 1.00 0.00 O ATOM 0 H GLU A 30 19.234 -23.554 -32.750 1.00 0.00 H new ATOM 0 HA GLU A 30 21.542 -23.607 -34.448 1.00 0.00 H new ATOM 0 HB2 GLU A 30 20.477 -25.058 -32.068 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.585 -25.965 -33.078 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.374 -24.506 -32.673 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.327 -23.175 -32.222 1.00 0.00 H new ATOM 513 N GLY A 31 19.069 -25.162 -35.512 1.00 0.00 N ATOM 514 CA GLY A 31 18.561 -26.079 -36.515 1.00 0.00 C ATOM 515 C GLY A 31 17.309 -26.802 -36.059 1.00 0.00 C ATOM 516 O GLY A 31 17.220 -28.026 -36.157 1.00 0.00 O ATOM 0 H GLY A 31 18.393 -24.475 -35.178 1.00 0.00 H new ATOM 0 HA2 GLY A 31 18.346 -25.528 -37.431 1.00 0.00 H new ATOM 0 HA3 GLY A 31 19.332 -26.811 -36.757 1.00 0.00 H new ATOM 520 N TRP A 32 16.340 -26.044 -35.559 1.00 0.00 N ATOM 521 CA TRP A 32 15.087 -26.621 -35.084 1.00 0.00 C ATOM 522 C TRP A 32 13.924 -25.662 -35.316 1.00 0.00 C ATOM 523 O TRP A 32 13.572 -24.875 -34.437 1.00 0.00 O ATOM 524 CB TRP A 32 15.191 -26.966 -33.598 1.00 0.00 C ATOM 525 CG TRP A 32 15.406 -28.426 -33.340 1.00 0.00 C ATOM 526 CD1 TRP A 32 14.445 -29.366 -33.098 1.00 0.00 C ATOM 527 CD2 TRP A 32 16.661 -29.113 -33.297 1.00 0.00 C ATOM 528 NE1 TRP A 32 15.027 -30.596 -32.908 1.00 0.00 N ATOM 529 CE2 TRP A 32 16.386 -30.468 -33.025 1.00 0.00 C ATOM 530 CE3 TRP A 32 17.991 -28.717 -33.464 1.00 0.00 C ATOM 531 CZ2 TRP A 32 17.392 -31.424 -32.916 1.00 0.00 C ATOM 532 CZ3 TRP A 32 18.988 -29.667 -33.354 1.00 0.00 C ATOM 533 CH2 TRP A 32 18.684 -31.008 -33.083 1.00 0.00 C ATOM 0 H TRP A 32 16.397 -25.029 -35.472 1.00 0.00 H new ATOM 0 HA TRP A 32 14.899 -27.534 -35.649 1.00 0.00 H new ATOM 0 HB2 TRP A 32 16.014 -26.402 -33.158 1.00 0.00 H new ATOM 0 HB3 TRP A 32 14.279 -26.646 -33.094 1.00 0.00 H new ATOM 0 HD1 TRP A 32 13.383 -29.171 -33.061 1.00 0.00 H new ATOM 0 HE1 TRP A 32 14.528 -31.464 -32.712 1.00 0.00 H new ATOM 0 HE3 TRP A 32 18.235 -27.686 -33.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 17.160 -32.458 -32.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 20.019 -29.371 -33.479 1.00 0.00 H new ATOM 0 HH2 TRP A 32 19.486 -31.727 -33.004 1.00 0.00 H new ATOM 726 N PHE B 110 18.784 -2.573 -15.244 1.00 0.00 N ATOM 727 CA PHE B 110 18.894 -3.954 -14.786 1.00 0.00 C ATOM 728 C PHE B 110 18.047 -4.882 -15.651 1.00 0.00 C ATOM 729 O PHE B 110 18.458 -5.997 -15.970 1.00 0.00 O ATOM 730 CB PHE B 110 18.460 -4.064 -13.323 1.00 0.00 C ATOM 731 CG PHE B 110 18.302 -5.481 -12.850 1.00 0.00 C ATOM 732 CD1 PHE B 110 17.105 -6.155 -13.028 1.00 0.00 C ATOM 733 CD2 PHE B 110 19.350 -6.138 -12.227 1.00 0.00 C ATOM 734 CE1 PHE B 110 16.956 -7.459 -12.594 1.00 0.00 C ATOM 735 CE2 PHE B 110 19.208 -7.442 -11.791 1.00 0.00 C ATOM 736 CZ PHE B 110 18.009 -8.103 -11.974 1.00 0.00 C ATOM 0 HA PHE B 110 19.937 -4.258 -14.872 1.00 0.00 H new ATOM 0 HB2 PHE B 110 19.195 -3.560 -12.695 1.00 0.00 H new ATOM 0 HB3 PHE B 110 17.514 -3.538 -13.192 1.00 0.00 H new ATOM 0 HD1 PHE B 110 16.278 -5.656 -13.512 1.00 0.00 H new ATOM 0 HD2 PHE B 110 20.289 -5.625 -12.080 1.00 0.00 H new ATOM 0 HE1 PHE B 110 16.018 -7.973 -12.739 1.00 0.00 H new ATOM 0 HE2 PHE B 110 20.034 -7.943 -11.308 1.00 0.00 H new ATOM 0 HZ PHE B 110 17.895 -9.121 -11.633 1.00 0.00 H new ATOM 746 N MET B 111 16.861 -4.414 -16.026 1.00 0.00 N ATOM 747 CA MET B 111 15.956 -5.202 -16.855 1.00 0.00 C ATOM 748 C MET B 111 16.633 -5.618 -18.157 1.00 0.00 C ATOM 749 O MET B 111 16.463 -6.745 -18.623 1.00 0.00 O ATOM 750 CB MET B 111 14.685 -4.405 -17.160 1.00 0.00 C ATOM 751 CG MET B 111 13.571 -4.630 -16.151 1.00 0.00 C ATOM 752 SD MET B 111 14.040 -4.148 -14.478 1.00 0.00 S ATOM 753 CE MET B 111 12.526 -3.376 -13.911 1.00 0.00 C ATOM 0 H MET B 111 16.504 -3.494 -15.769 1.00 0.00 H new ATOM 0 HA MET B 111 15.689 -6.102 -16.302 1.00 0.00 H new ATOM 0 HB2 MET B 111 14.930 -3.343 -17.188 1.00 0.00 H new ATOM 0 HB3 MET B 111 14.325 -4.676 -18.153 1.00 0.00 H new ATOM 0 HG2 MET B 111 12.691 -4.063 -16.455 1.00 0.00 H new ATOM 0 HG3 MET B 111 13.289 -5.683 -16.156 1.00 0.00 H new ATOM 0 HE1 MET B 111 12.658 -3.025 -12.888 1.00 0.00 H new ATOM 0 HE2 MET B 111 12.284 -2.531 -14.556 1.00 0.00 H new ATOM 0 HE3 MET B 111 11.713 -4.102 -13.944 1.00 0.00 H new ATOM 763 N ILE B 112 17.402 -4.703 -18.738 1.00 0.00 N ATOM 764 CA ILE B 112 18.105 -4.976 -19.985 1.00 0.00 C ATOM 765 C ILE B 112 19.431 -5.683 -19.724 1.00 0.00 C ATOM 766 O ILE B 112 19.693 -6.753 -20.271 1.00 0.00 O ATOM 767 CB ILE B 112 18.372 -3.682 -20.776 1.00 0.00 C ATOM 768 CG1 ILE B 112 17.053 -3.061 -21.240 1.00 0.00 C ATOM 769 CG2 ILE B 112 19.278 -3.966 -21.965 1.00 0.00 C ATOM 770 CD1 ILE B 112 16.759 -1.722 -20.601 1.00 0.00 C ATOM 0 H ILE B 112 17.554 -3.766 -18.365 1.00 0.00 H new ATOM 0 HA ILE B 112 17.460 -5.626 -20.576 1.00 0.00 H new ATOM 0 HB ILE B 112 18.876 -2.971 -20.122 1.00 0.00 H new ATOM 0 HG12 ILE B 112 17.079 -2.940 -22.323 1.00 0.00 H new ATOM 0 HG13 ILE B 112 16.238 -3.749 -21.015 1.00 0.00 H new ATOM 0 HG21 ILE B 112 19.458 -3.042 -22.514 1.00 0.00 H new ATOM 0 HG22 ILE B 112 20.227 -4.368 -21.611 1.00 0.00 H new ATOM 0 HG23 ILE B 112 18.799 -4.692 -22.622 1.00 0.00 H new ATOM 0 HD11 ILE B 112 15.809 -1.341 -20.976 1.00 0.00 H new ATOM 0 HD12 ILE B 112 16.701 -1.840 -19.519 1.00 0.00 H new ATOM 0 HD13 ILE B 112 17.555 -1.019 -20.847 1.00 0.00 H new ATOM 782 N ASN B 113 20.263 -5.077 -18.884 1.00 0.00 N ATOM 783 CA ASN B 113 21.562 -5.648 -18.549 1.00 0.00 C ATOM 784 C ASN B 113 21.423 -7.110 -18.136 1.00 0.00 C ATOM 785 O ASN B 113 22.137 -7.980 -18.637 1.00 0.00 O ATOM 786 CB ASN B 113 22.220 -4.849 -17.422 1.00 0.00 C ATOM 787 CG ASN B 113 22.909 -3.596 -17.928 1.00 0.00 C ATOM 788 OD1 ASN B 113 22.443 -2.481 -17.695 1.00 0.00 O ATOM 789 ND2 ASN B 113 24.025 -3.775 -18.626 1.00 0.00 N ATOM 0 H ASN B 113 20.061 -4.190 -18.423 1.00 0.00 H new ATOM 0 HA ASN B 113 22.192 -5.597 -19.437 1.00 0.00 H new ATOM 0 HB2 ASN B 113 21.464 -4.573 -16.687 1.00 0.00 H new ATOM 0 HB3 ASN B 113 22.948 -5.479 -16.910 1.00 0.00 H new ATOM 0 HD21 ASN B 113 24.532 -2.969 -18.993 1.00 0.00 H new ATOM 0 HD22 ASN B 113 24.375 -4.718 -18.795 1.00 0.00 H new ATOM 796 N THR B 114 20.499 -7.375 -17.218 1.00 0.00 N ATOM 797 CA THR B 114 20.266 -8.731 -16.737 1.00 0.00 C ATOM 798 C THR B 114 20.075 -9.701 -17.897 1.00 0.00 C ATOM 799 O THR B 114 20.464 -10.866 -17.814 1.00 0.00 O ATOM 800 CB THR B 114 19.030 -8.796 -15.819 1.00 0.00 C ATOM 801 OG1 THR B 114 19.287 -8.090 -14.600 1.00 0.00 O ATOM 802 CG2 THR B 114 18.664 -10.239 -15.507 1.00 0.00 C ATOM 0 H THR B 114 19.899 -6.668 -16.793 1.00 0.00 H new ATOM 0 HA THR B 114 21.149 -9.021 -16.167 1.00 0.00 H new ATOM 0 HB THR B 114 18.194 -8.329 -16.339 1.00 0.00 H new ATOM 0 HG1 THR B 114 18.485 -8.106 -14.037 1.00 0.00 H new ATOM 0 HG21 THR B 114 17.789 -10.260 -14.858 1.00 0.00 H new ATOM 0 HG22 THR B 114 18.441 -10.766 -16.434 1.00 0.00 H new ATOM 0 HG23 THR B 114 19.500 -10.726 -15.005 1.00 0.00 H new ATOM 810 N SER B 115 19.475 -9.213 -18.978 1.00 0.00 N ATOM 811 CA SER B 115 19.230 -10.039 -20.154 1.00 0.00 C ATOM 812 C SER B 115 20.538 -10.369 -20.868 1.00 0.00 C ATOM 813 O SER B 115 20.932 -11.532 -20.958 1.00 0.00 O ATOM 814 CB SER B 115 18.278 -9.325 -21.115 1.00 0.00 C ATOM 815 OG SER B 115 17.496 -10.256 -21.844 1.00 0.00 O ATOM 0 H SER B 115 19.150 -8.250 -19.064 1.00 0.00 H new ATOM 0 HA SER B 115 18.771 -10.971 -19.824 1.00 0.00 H new ATOM 0 HB2 SER B 115 17.625 -8.656 -20.555 1.00 0.00 H new ATOM 0 HB3 SER B 115 18.850 -8.706 -21.806 1.00 0.00 H new ATOM 0 HG SER B 115 16.895 -9.775 -22.450 1.00 0.00 H new ATOM 821 N ILE B 116 21.205 -9.337 -21.373 1.00 0.00 N ATOM 822 CA ILE B 116 22.469 -9.517 -22.078 1.00 0.00 C ATOM 823 C ILE B 116 23.445 -10.348 -21.253 1.00 0.00 C ATOM 824 O ILE B 116 24.310 -11.033 -21.799 1.00 0.00 O ATOM 825 CB ILE B 116 23.122 -8.163 -22.416 1.00 0.00 C ATOM 826 CG1 ILE B 116 22.182 -7.320 -23.280 1.00 0.00 C ATOM 827 CG2 ILE B 116 24.451 -8.379 -23.124 1.00 0.00 C ATOM 828 CD1 ILE B 116 21.480 -6.221 -22.514 1.00 0.00 C ATOM 0 H ILE B 116 20.892 -8.368 -21.308 1.00 0.00 H new ATOM 0 HA ILE B 116 22.242 -10.043 -23.005 1.00 0.00 H new ATOM 0 HB ILE B 116 23.311 -7.625 -21.487 1.00 0.00 H new ATOM 0 HG12 ILE B 116 22.752 -6.876 -24.096 1.00 0.00 H new ATOM 0 HG13 ILE B 116 21.434 -7.972 -23.731 1.00 0.00 H new ATOM 0 HG21 ILE B 116 24.901 -7.414 -23.356 1.00 0.00 H new ATOM 0 HG22 ILE B 116 25.121 -8.945 -22.476 1.00 0.00 H new ATOM 0 HG23 ILE B 116 24.285 -8.934 -24.047 1.00 0.00 H new ATOM 0 HD11 ILE B 116 20.830 -5.664 -23.190 1.00 0.00 H new ATOM 0 HD12 ILE B 116 20.882 -6.659 -21.715 1.00 0.00 H new ATOM 0 HD13 ILE B 116 22.221 -5.546 -22.085 1.00 0.00 H new ATOM 840 N LEU B 117 23.300 -10.284 -19.934 1.00 0.00 N ATOM 841 CA LEU B 117 24.168 -11.033 -19.031 1.00 0.00 C ATOM 842 C LEU B 117 23.686 -12.472 -18.881 1.00 0.00 C ATOM 843 O LEU B 117 24.417 -13.417 -19.180 1.00 0.00 O ATOM 844 CB LEU B 117 24.219 -10.354 -17.661 1.00 0.00 C ATOM 845 CG LEU B 117 25.590 -9.844 -17.215 1.00 0.00 C ATOM 846 CD1 LEU B 117 25.475 -9.082 -15.904 1.00 0.00 C ATOM 847 CD2 LEU B 117 26.570 -11.000 -17.078 1.00 0.00 C ATOM 0 H LEU B 117 22.590 -9.721 -19.466 1.00 0.00 H new ATOM 0 HA LEU B 117 25.170 -11.048 -19.459 1.00 0.00 H new ATOM 0 HB2 LEU B 117 23.526 -9.513 -17.669 1.00 0.00 H new ATOM 0 HB3 LEU B 117 23.856 -11.060 -16.914 1.00 0.00 H new ATOM 0 HG LEU B 117 25.968 -9.162 -17.976 1.00 0.00 H new ATOM 0 HD11 LEU B 117 26.460 -8.727 -15.602 1.00 0.00 H new ATOM 0 HD12 LEU B 117 24.807 -8.231 -16.035 1.00 0.00 H new ATOM 0 HD13 LEU B 117 25.075 -9.742 -15.134 1.00 0.00 H new ATOM 0 HD21 LEU B 117 27.540 -10.619 -16.760 1.00 0.00 H new ATOM 0 HD22 LEU B 117 26.197 -11.707 -16.337 1.00 0.00 H new ATOM 0 HD23 LEU B 117 26.675 -11.504 -18.039 1.00 0.00 H new ATOM 859 N LEU B 118 22.451 -12.631 -18.418 1.00 0.00 N ATOM 860 CA LEU B 118 21.869 -13.956 -18.231 1.00 0.00 C ATOM 861 C LEU B 118 22.028 -14.803 -19.489 1.00 0.00 C ATOM 862 O LEU B 118 22.242 -16.014 -19.411 1.00 0.00 O ATOM 863 CB LEU B 118 20.389 -13.837 -17.865 1.00 0.00 C ATOM 864 CG LEU B 118 20.083 -13.506 -16.404 1.00 0.00 C ATOM 865 CD1 LEU B 118 18.595 -13.649 -16.124 1.00 0.00 C ATOM 866 CD2 LEU B 118 20.891 -14.400 -15.474 1.00 0.00 C ATOM 0 H LEU B 118 21.833 -11.860 -18.165 1.00 0.00 H new ATOM 0 HA LEU B 118 22.400 -14.448 -17.416 1.00 0.00 H new ATOM 0 HB2 LEU B 118 19.941 -13.067 -18.493 1.00 0.00 H new ATOM 0 HB3 LEU B 118 19.897 -14.777 -18.114 1.00 0.00 H new ATOM 0 HG LEU B 118 20.368 -12.470 -16.219 1.00 0.00 H new ATOM 0 HD11 LEU B 118 18.397 -13.409 -15.079 1.00 0.00 H new ATOM 0 HD12 LEU B 118 18.037 -12.967 -16.765 1.00 0.00 H new ATOM 0 HD13 LEU B 118 18.283 -14.674 -16.327 1.00 0.00 H new ATOM 0 HD21 LEU B 118 20.661 -14.150 -14.438 1.00 0.00 H new ATOM 0 HD22 LEU B 118 20.637 -15.443 -15.661 1.00 0.00 H new ATOM 0 HD23 LEU B 118 21.955 -14.247 -15.656 1.00 0.00 H new ATOM 878 N ILE B 119 21.923 -14.160 -20.647 1.00 0.00 N ATOM 879 CA ILE B 119 22.058 -14.854 -21.921 1.00 0.00 C ATOM 880 C ILE B 119 23.436 -15.493 -22.056 1.00 0.00 C ATOM 881 O ILE B 119 23.562 -16.717 -22.112 1.00 0.00 O ATOM 882 CB ILE B 119 21.828 -13.901 -23.109 1.00 0.00 C ATOM 883 CG1 ILE B 119 20.393 -13.372 -23.096 1.00 0.00 C ATOM 884 CG2 ILE B 119 22.127 -14.609 -24.422 1.00 0.00 C ATOM 885 CD1 ILE B 119 20.245 -12.010 -23.737 1.00 0.00 C ATOM 0 H ILE B 119 21.745 -13.159 -20.729 1.00 0.00 H new ATOM 0 HA ILE B 119 21.296 -15.633 -21.938 1.00 0.00 H new ATOM 0 HB ILE B 119 22.508 -13.054 -23.014 1.00 0.00 H new ATOM 0 HG12 ILE B 119 19.748 -14.081 -23.615 1.00 0.00 H new ATOM 0 HG13 ILE B 119 20.043 -13.319 -22.065 1.00 0.00 H new ATOM 0 HG21 ILE B 119 21.960 -13.922 -25.252 1.00 0.00 H new ATOM 0 HG22 ILE B 119 23.165 -14.940 -24.429 1.00 0.00 H new ATOM 0 HG23 ILE B 119 21.470 -15.473 -24.528 1.00 0.00 H new ATOM 0 HD11 ILE B 119 19.202 -11.698 -23.692 1.00 0.00 H new ATOM 0 HD12 ILE B 119 20.863 -11.288 -23.204 1.00 0.00 H new ATOM 0 HD13 ILE B 119 20.564 -12.061 -24.778 1.00 0.00 H new ATOM 897 N PHE B 120 24.468 -14.657 -22.105 1.00 0.00 N ATOM 898 CA PHE B 120 25.838 -15.140 -22.232 1.00 0.00 C ATOM 899 C PHE B 120 26.230 -15.988 -21.025 1.00 0.00 C ATOM 900 O PHE B 120 27.123 -16.831 -21.110 1.00 0.00 O ATOM 901 CB PHE B 120 26.804 -13.963 -22.378 1.00 0.00 C ATOM 902 CG PHE B 120 28.210 -14.379 -22.706 1.00 0.00 C ATOM 903 CD1 PHE B 120 28.487 -15.076 -23.871 1.00 0.00 C ATOM 904 CD2 PHE B 120 29.255 -14.073 -21.849 1.00 0.00 C ATOM 905 CE1 PHE B 120 29.779 -15.460 -24.174 1.00 0.00 C ATOM 906 CE2 PHE B 120 30.549 -14.454 -22.147 1.00 0.00 C ATOM 907 CZ PHE B 120 30.812 -15.148 -23.312 1.00 0.00 C ATOM 0 H PHE B 120 24.381 -13.642 -22.059 1.00 0.00 H new ATOM 0 HA PHE B 120 25.896 -15.762 -23.125 1.00 0.00 H new ATOM 0 HB2 PHE B 120 26.438 -13.298 -23.160 1.00 0.00 H new ATOM 0 HB3 PHE B 120 26.810 -13.391 -21.450 1.00 0.00 H new ATOM 0 HD1 PHE B 120 27.684 -15.322 -24.550 1.00 0.00 H new ATOM 0 HD2 PHE B 120 29.055 -13.530 -20.937 1.00 0.00 H new ATOM 0 HE1 PHE B 120 29.981 -16.004 -25.085 1.00 0.00 H new ATOM 0 HE2 PHE B 120 31.354 -14.210 -21.470 1.00 0.00 H new ATOM 0 HZ PHE B 120 31.823 -15.446 -23.548 1.00 0.00 H new ATOM 917 N ILE B 121 25.556 -15.757 -19.904 1.00 0.00 N ATOM 918 CA ILE B 121 25.832 -16.499 -18.680 1.00 0.00 C ATOM 919 C ILE B 121 25.328 -17.934 -18.782 1.00 0.00 C ATOM 920 O ILE B 121 26.079 -18.885 -18.562 1.00 0.00 O ATOM 921 CB ILE B 121 25.187 -15.825 -17.455 1.00 0.00 C ATOM 922 CG1 ILE B 121 26.141 -14.794 -16.851 1.00 0.00 C ATOM 923 CG2 ILE B 121 24.802 -16.870 -16.418 1.00 0.00 C ATOM 924 CD1 ILE B 121 25.502 -13.929 -15.787 1.00 0.00 C ATOM 0 H ILE B 121 24.815 -15.062 -19.818 1.00 0.00 H new ATOM 0 HA ILE B 121 26.914 -16.505 -18.552 1.00 0.00 H new ATOM 0 HB ILE B 121 24.282 -15.309 -17.777 1.00 0.00 H new ATOM 0 HG12 ILE B 121 26.998 -15.312 -16.420 1.00 0.00 H new ATOM 0 HG13 ILE B 121 26.523 -14.154 -17.647 1.00 0.00 H new ATOM 0 HG21 ILE B 121 24.347 -16.379 -15.558 1.00 0.00 H new ATOM 0 HG22 ILE B 121 24.090 -17.570 -16.854 1.00 0.00 H new ATOM 0 HG23 ILE B 121 25.693 -17.411 -16.098 1.00 0.00 H new ATOM 0 HD11 ILE B 121 26.237 -13.221 -15.403 1.00 0.00 H new ATOM 0 HD12 ILE B 121 24.663 -13.383 -16.218 1.00 0.00 H new ATOM 0 HD13 ILE B 121 25.145 -14.559 -14.972 1.00 0.00 H new ATOM 936 N PHE B 122 24.051 -18.085 -19.118 1.00 0.00 N ATOM 937 CA PHE B 122 23.446 -19.405 -19.251 1.00 0.00 C ATOM 938 C PHE B 122 24.008 -20.142 -20.462 1.00 0.00 C ATOM 939 O PHE B 122 24.458 -21.283 -20.354 1.00 0.00 O ATOM 940 CB PHE B 122 21.926 -19.282 -19.374 1.00 0.00 C ATOM 941 CG PHE B 122 21.274 -18.664 -18.170 1.00 0.00 C ATOM 942 CD1 PHE B 122 21.704 -18.984 -16.893 1.00 0.00 C ATOM 943 CD2 PHE B 122 20.232 -17.763 -18.316 1.00 0.00 C ATOM 944 CE1 PHE B 122 21.107 -18.417 -15.782 1.00 0.00 C ATOM 945 CE2 PHE B 122 19.631 -17.192 -17.210 1.00 0.00 C ATOM 946 CZ PHE B 122 20.069 -17.520 -15.942 1.00 0.00 C ATOM 0 H PHE B 122 23.415 -17.309 -19.303 1.00 0.00 H new ATOM 0 HA PHE B 122 23.686 -19.979 -18.356 1.00 0.00 H new ATOM 0 HB2 PHE B 122 21.688 -18.683 -20.253 1.00 0.00 H new ATOM 0 HB3 PHE B 122 21.502 -20.272 -19.539 1.00 0.00 H new ATOM 0 HD1 PHE B 122 22.515 -19.685 -16.763 1.00 0.00 H new ATOM 0 HD2 PHE B 122 19.885 -17.504 -19.305 1.00 0.00 H new ATOM 0 HE1 PHE B 122 21.452 -18.675 -14.791 1.00 0.00 H new ATOM 0 HE2 PHE B 122 18.820 -16.490 -17.337 1.00 0.00 H new ATOM 0 HZ PHE B 122 19.600 -17.076 -15.076 1.00 0.00 H new ATOM 956 N ILE B 123 23.978 -19.482 -21.615 1.00 0.00 N ATOM 957 CA ILE B 123 24.484 -20.074 -22.847 1.00 0.00 C ATOM 958 C ILE B 123 25.885 -20.644 -22.648 1.00 0.00 C ATOM 959 O ILE B 123 26.164 -21.781 -23.030 1.00 0.00 O ATOM 960 CB ILE B 123 24.519 -19.046 -23.993 1.00 0.00 C ATOM 961 CG1 ILE B 123 23.192 -19.055 -24.755 1.00 0.00 C ATOM 962 CG2 ILE B 123 25.678 -19.340 -24.934 1.00 0.00 C ATOM 963 CD1 ILE B 123 22.202 -18.025 -24.258 1.00 0.00 C ATOM 0 H ILE B 123 23.609 -18.537 -21.722 1.00 0.00 H new ATOM 0 HA ILE B 123 23.800 -20.880 -23.114 1.00 0.00 H new ATOM 0 HB ILE B 123 24.666 -18.054 -23.567 1.00 0.00 H new ATOM 0 HG12 ILE B 123 23.388 -18.877 -25.812 1.00 0.00 H new ATOM 0 HG13 ILE B 123 22.744 -20.045 -24.676 1.00 0.00 H new ATOM 0 HG21 ILE B 123 25.689 -18.605 -25.739 1.00 0.00 H new ATOM 0 HG22 ILE B 123 26.617 -19.288 -24.382 1.00 0.00 H new ATOM 0 HG23 ILE B 123 25.560 -20.338 -25.356 1.00 0.00 H new ATOM 0 HD11 ILE B 123 21.285 -18.089 -24.844 1.00 0.00 H new ATOM 0 HD12 ILE B 123 21.976 -18.214 -23.209 1.00 0.00 H new ATOM 0 HD13 ILE B 123 22.631 -17.028 -24.363 1.00 0.00 H new ATOM 975 N VAL B 124 26.762 -19.847 -22.046 1.00 0.00 N ATOM 976 CA VAL B 124 28.133 -20.272 -21.793 1.00 0.00 C ATOM 977 C VAL B 124 28.183 -21.357 -20.723 1.00 0.00 C ATOM 978 O VAL B 124 28.961 -22.308 -20.823 1.00 0.00 O ATOM 979 CB VAL B 124 29.015 -19.090 -21.350 1.00 0.00 C ATOM 980 CG1 VAL B 124 30.342 -19.589 -20.800 1.00 0.00 C ATOM 981 CG2 VAL B 124 29.237 -18.129 -22.509 1.00 0.00 C ATOM 0 H VAL B 124 26.547 -18.903 -21.724 1.00 0.00 H new ATOM 0 HA VAL B 124 28.518 -20.672 -22.731 1.00 0.00 H new ATOM 0 HB VAL B 124 28.499 -18.553 -20.554 1.00 0.00 H new ATOM 0 HG11 VAL B 124 30.951 -18.739 -20.492 1.00 0.00 H new ATOM 0 HG12 VAL B 124 30.160 -20.235 -19.941 1.00 0.00 H new ATOM 0 HG13 VAL B 124 30.867 -20.151 -21.572 1.00 0.00 H new ATOM 0 HG21 VAL B 124 29.862 -17.299 -22.179 1.00 0.00 H new ATOM 0 HG22 VAL B 124 29.732 -18.653 -23.327 1.00 0.00 H new ATOM 0 HG23 VAL B 124 28.276 -17.745 -22.852 1.00 0.00 H new ATOM 991 N LEU B 125 27.349 -21.210 -19.700 1.00 0.00 N ATOM 992 CA LEU B 125 27.297 -22.179 -18.610 1.00 0.00 C ATOM 993 C LEU B 125 26.975 -23.574 -19.136 1.00 0.00 C ATOM 994 O LEU B 125 27.446 -24.576 -18.597 1.00 0.00 O ATOM 995 CB LEU B 125 26.251 -21.757 -17.576 1.00 0.00 C ATOM 996 CG LEU B 125 26.754 -20.871 -16.436 1.00 0.00 C ATOM 997 CD1 LEU B 125 25.622 -20.543 -15.475 1.00 0.00 C ATOM 998 CD2 LEU B 125 27.901 -21.548 -15.700 1.00 0.00 C ATOM 0 H LEU B 125 26.700 -20.430 -19.602 1.00 0.00 H new ATOM 0 HA LEU B 125 28.278 -22.208 -18.135 1.00 0.00 H new ATOM 0 HB2 LEU B 125 25.450 -21.229 -18.094 1.00 0.00 H new ATOM 0 HB3 LEU B 125 25.813 -22.657 -17.144 1.00 0.00 H new ATOM 0 HG LEU B 125 27.123 -19.938 -16.863 1.00 0.00 H new ATOM 0 HD11 LEU B 125 25.999 -19.912 -14.670 1.00 0.00 H new ATOM 0 HD12 LEU B 125 24.832 -20.016 -16.010 1.00 0.00 H new ATOM 0 HD13 LEU B 125 25.222 -21.466 -15.055 1.00 0.00 H new ATOM 0 HD21 LEU B 125 28.246 -20.903 -14.892 1.00 0.00 H new ATOM 0 HD22 LEU B 125 27.558 -22.496 -15.286 1.00 0.00 H new ATOM 0 HD23 LEU B 125 28.721 -21.731 -16.394 1.00 0.00 H new ATOM 1010 N LEU B 126 26.170 -23.631 -20.192 1.00 0.00 N ATOM 1011 CA LEU B 126 25.786 -24.904 -20.793 1.00 0.00 C ATOM 1012 C LEU B 126 27.017 -25.700 -21.215 1.00 0.00 C ATOM 1013 O LEU B 126 27.104 -26.903 -20.969 1.00 0.00 O ATOM 1014 CB LEU B 126 24.880 -24.666 -22.002 1.00 0.00 C ATOM 1015 CG LEU B 126 23.376 -24.765 -21.742 1.00 0.00 C ATOM 1016 CD1 LEU B 126 23.018 -26.137 -21.192 1.00 0.00 C ATOM 1017 CD2 LEU B 126 22.927 -23.671 -20.785 1.00 0.00 C ATOM 0 H LEU B 126 25.771 -22.811 -20.649 1.00 0.00 H new ATOM 0 HA LEU B 126 25.241 -25.481 -20.046 1.00 0.00 H new ATOM 0 HB2 LEU B 126 25.095 -23.675 -22.403 1.00 0.00 H new ATOM 0 HB3 LEU B 126 25.143 -25.387 -22.776 1.00 0.00 H new ATOM 0 HG LEU B 126 22.854 -24.629 -22.689 1.00 0.00 H new ATOM 0 HD11 LEU B 126 21.944 -26.188 -21.013 1.00 0.00 H new ATOM 0 HD12 LEU B 126 23.303 -26.904 -21.913 1.00 0.00 H new ATOM 0 HD13 LEU B 126 23.550 -26.304 -20.255 1.00 0.00 H new ATOM 0 HD21 LEU B 126 21.854 -23.757 -20.612 1.00 0.00 H new ATOM 0 HD22 LEU B 126 23.457 -23.776 -19.838 1.00 0.00 H new ATOM 0 HD23 LEU B 126 23.147 -22.695 -21.218 1.00 0.00 H new ATOM 1029 N ILE B 127 27.966 -25.020 -21.849 1.00 0.00 N ATOM 1030 CA ILE B 127 29.193 -25.663 -22.302 1.00 0.00 C ATOM 1031 C ILE B 127 30.068 -26.072 -21.121 1.00 0.00 C ATOM 1032 O ILE B 127 30.493 -27.223 -21.018 1.00 0.00 O ATOM 1033 CB ILE B 127 30.004 -24.740 -23.231 1.00 0.00 C ATOM 1034 CG1 ILE B 127 29.596 -24.963 -24.689 1.00 0.00 C ATOM 1035 CG2 ILE B 127 31.495 -24.981 -23.049 1.00 0.00 C ATOM 1036 CD1 ILE B 127 28.464 -24.070 -25.144 1.00 0.00 C ATOM 0 H ILE B 127 27.909 -24.024 -22.061 1.00 0.00 H new ATOM 0 HA ILE B 127 28.896 -26.553 -22.857 1.00 0.00 H new ATOM 0 HB ILE B 127 29.790 -23.704 -22.967 1.00 0.00 H new ATOM 0 HG12 ILE B 127 30.461 -24.794 -25.330 1.00 0.00 H new ATOM 0 HG13 ILE B 127 29.301 -26.004 -24.820 1.00 0.00 H new ATOM 0 HG21 ILE B 127 32.054 -24.321 -23.713 1.00 0.00 H new ATOM 0 HG22 ILE B 127 31.773 -24.776 -22.015 1.00 0.00 H new ATOM 0 HG23 ILE B 127 31.728 -26.018 -23.289 1.00 0.00 H new ATOM 0 HD11 ILE B 127 28.229 -24.284 -26.187 1.00 0.00 H new ATOM 0 HD12 ILE B 127 27.584 -24.256 -24.528 1.00 0.00 H new ATOM 0 HD13 ILE B 127 28.762 -23.026 -25.046 1.00 0.00 H new ATOM 1048 N HIS B 128 30.331 -25.121 -20.230 1.00 0.00 N ATOM 1049 CA HIS B 128 31.153 -25.382 -19.054 1.00 0.00 C ATOM 1050 C HIS B 128 30.685 -26.642 -18.332 1.00 0.00 C ATOM 1051 O HIS B 128 31.486 -27.365 -17.739 1.00 0.00 O ATOM 1052 CB HIS B 128 31.110 -24.188 -18.100 1.00 0.00 C ATOM 1053 CG HIS B 128 31.816 -24.433 -16.802 1.00 0.00 C ATOM 1054 ND1 HIS B 128 33.081 -23.954 -16.531 1.00 0.00 N ATOM 1055 CD2 HIS B 128 31.426 -25.109 -15.696 1.00 0.00 C ATOM 1056 CE1 HIS B 128 33.439 -24.327 -15.315 1.00 0.00 C ATOM 1057 NE2 HIS B 128 32.452 -25.028 -14.787 1.00 0.00 N ATOM 0 H HIS B 128 29.987 -24.163 -20.300 1.00 0.00 H new ATOM 0 HA HIS B 128 32.180 -25.535 -19.386 1.00 0.00 H new ATOM 0 HB2 HIS B 128 31.559 -23.325 -18.591 1.00 0.00 H new ATOM 0 HB3 HIS B 128 30.070 -23.934 -17.896 1.00 0.00 H new ATOM 0 HD2 HIS B 128 30.484 -25.617 -15.555 1.00 0.00 H new ATOM 0 HE1 HIS B 128 34.379 -24.098 -14.835 1.00 0.00 H new ATOM 0 HE2 HIS B 128 32.452 -25.442 -13.855 1.00 0.00 H new ATOM 1065 N PHE B 129 29.382 -26.899 -18.386 1.00 0.00 N ATOM 1066 CA PHE B 129 28.806 -28.071 -17.736 1.00 0.00 C ATOM 1067 C PHE B 129 28.675 -29.229 -18.721 1.00 0.00 C ATOM 1068 O PHE B 129 28.660 -30.394 -18.325 1.00 0.00 O ATOM 1069 CB PHE B 129 27.437 -27.731 -17.146 1.00 0.00 C ATOM 1070 CG PHE B 129 27.510 -27.110 -15.780 1.00 0.00 C ATOM 1071 CD1 PHE B 129 28.077 -27.800 -14.721 1.00 0.00 C ATOM 1072 CD2 PHE B 129 27.011 -25.837 -15.556 1.00 0.00 C ATOM 1073 CE1 PHE B 129 28.146 -27.231 -13.463 1.00 0.00 C ATOM 1074 CE2 PHE B 129 27.078 -25.263 -14.301 1.00 0.00 C ATOM 1075 CZ PHE B 129 27.645 -25.961 -13.252 1.00 0.00 C ATOM 0 H PHE B 129 28.705 -26.312 -18.873 1.00 0.00 H new ATOM 0 HA PHE B 129 29.475 -28.376 -16.931 1.00 0.00 H new ATOM 0 HB2 PHE B 129 26.919 -27.048 -17.820 1.00 0.00 H new ATOM 0 HB3 PHE B 129 26.838 -28.640 -17.092 1.00 0.00 H new ATOM 0 HD1 PHE B 129 28.470 -28.794 -14.880 1.00 0.00 H new ATOM 0 HD2 PHE B 129 26.565 -25.287 -16.371 1.00 0.00 H new ATOM 0 HE1 PHE B 129 28.591 -27.779 -12.646 1.00 0.00 H new ATOM 0 HE2 PHE B 129 26.687 -24.269 -14.140 1.00 0.00 H new ATOM 0 HZ PHE B 129 27.696 -25.515 -12.270 1.00 0.00 H new ATOM 1085 N GLU B 130 28.580 -28.899 -20.005 1.00 0.00 N ATOM 1086 CA GLU B 130 28.449 -29.912 -21.046 1.00 0.00 C ATOM 1087 C GLU B 130 29.772 -30.640 -21.267 1.00 0.00 C ATOM 1088 O GLU B 130 29.873 -31.521 -22.120 1.00 0.00 O ATOM 1089 CB GLU B 130 27.981 -29.272 -22.355 1.00 0.00 C ATOM 1090 CG GLU B 130 26.476 -29.322 -22.553 1.00 0.00 C ATOM 1091 CD GLU B 130 25.975 -28.244 -23.495 1.00 0.00 C ATOM 1092 OE1 GLU B 130 26.806 -27.445 -23.976 1.00 0.00 O ATOM 1093 OE2 GLU B 130 24.754 -28.200 -23.752 1.00 0.00 O ATOM 0 H GLU B 130 28.591 -27.939 -20.349 1.00 0.00 H new ATOM 0 HA GLU B 130 27.705 -30.638 -20.719 1.00 0.00 H new ATOM 0 HB2 GLU B 130 28.308 -28.232 -22.378 1.00 0.00 H new ATOM 0 HB3 GLU B 130 28.466 -29.777 -23.190 1.00 0.00 H new ATOM 0 HG2 GLU B 130 26.197 -30.300 -22.945 1.00 0.00 H new ATOM 0 HG3 GLU B 130 25.982 -29.213 -21.587 1.00 0.00 H new ATOM 1100 N GLY B 131 30.784 -30.264 -20.492 1.00 0.00 N ATOM 1101 CA GLY B 131 32.088 -30.889 -20.618 1.00 0.00 C ATOM 1102 C GLY B 131 33.197 -29.879 -20.837 1.00 0.00 C ATOM 1103 O GLY B 131 34.002 -30.022 -21.757 1.00 0.00 O ATOM 0 H GLY B 131 30.724 -29.537 -19.779 1.00 0.00 H new ATOM 0 HA2 GLY B 131 32.299 -31.466 -19.718 1.00 0.00 H new ATOM 0 HA3 GLY B 131 32.071 -31.592 -21.451 1.00 0.00 H new ATOM 1107 N TRP B 132 33.239 -28.857 -19.991 1.00 0.00 N ATOM 1108 CA TRP B 132 34.257 -27.818 -20.097 1.00 0.00 C ATOM 1109 C TRP B 132 34.598 -27.247 -18.725 1.00 0.00 C ATOM 1110 O TRP B 132 34.019 -26.248 -18.297 1.00 0.00 O ATOM 1111 CB TRP B 132 33.778 -26.699 -21.024 1.00 0.00 C ATOM 1112 CG TRP B 132 34.366 -26.777 -22.401 1.00 0.00 C ATOM 1113 CD1 TRP B 132 35.504 -26.165 -22.842 1.00 0.00 C ATOM 1114 CD2 TRP B 132 33.842 -27.506 -23.516 1.00 0.00 C ATOM 1115 NE1 TRP B 132 35.720 -26.470 -24.164 1.00 0.00 N ATOM 1116 CE2 TRP B 132 34.715 -27.292 -24.601 1.00 0.00 C ATOM 1117 CE3 TRP B 132 32.722 -28.321 -23.704 1.00 0.00 C ATOM 1118 CZ2 TRP B 132 34.500 -27.863 -25.853 1.00 0.00 C ATOM 1119 CZ3 TRP B 132 32.511 -28.886 -24.947 1.00 0.00 C ATOM 1120 CH2 TRP B 132 33.396 -28.656 -26.008 1.00 0.00 C ATOM 0 H TRP B 132 32.580 -28.725 -19.224 1.00 0.00 H new ATOM 0 HA TRP B 132 35.157 -28.268 -20.516 1.00 0.00 H new ATOM 0 HB2 TRP B 132 32.691 -26.738 -21.098 1.00 0.00 H new ATOM 0 HB3 TRP B 132 34.033 -25.736 -20.582 1.00 0.00 H new ATOM 0 HD1 TRP B 132 36.141 -25.534 -22.240 1.00 0.00 H new ATOM 0 HE1 TRP B 132 36.502 -26.138 -24.729 1.00 0.00 H new ATOM 0 HE3 TRP B 132 32.034 -28.506 -22.892 1.00 0.00 H new ATOM 0 HZ2 TRP B 132 35.181 -27.686 -26.673 1.00 0.00 H new ATOM 0 HZ3 TRP B 132 31.648 -29.516 -25.103 1.00 0.00 H new ATOM 0 HH2 TRP B 132 33.203 -29.114 -26.967 1.00 0.00 H new