USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 296 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 8 LYS NZ :NH3+ -110:sc= -1.42 (180deg=-2.66!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.8!) USER MOD Single : A 19 THR OG1 : rot -50:sc= 0.165 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 151:sc= 0.351 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 71:sc= 1.05 USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000189) USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= -0.337 (180deg=-0.45) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= -0.189 (180deg=-0.655) USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 8 15.225 18.099 -10.452 1.00 0.00 N ATOM 84 CA LYS A 8 15.128 18.342 -9.021 1.00 0.00 C ATOM 85 C LYS A 8 14.300 17.256 -8.349 1.00 0.00 C ATOM 86 O LYS A 8 14.581 16.854 -7.220 1.00 0.00 O ATOM 87 CB LYS A 8 14.490 19.704 -8.783 1.00 0.00 C ATOM 88 CG LYS A 8 13.077 19.765 -9.367 1.00 0.00 C ATOM 89 CD LYS A 8 12.497 21.190 -9.335 1.00 0.00 C ATOM 90 CE LYS A 8 13.533 22.265 -9.698 1.00 0.00 C ATOM 91 NZ LYS A 8 14.326 21.878 -10.900 1.00 0.00 N ATOM 0 HA LYS A 8 16.129 18.327 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.453 19.909 -7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.107 20.481 -9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.095 19.405 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.424 19.096 -8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.659 21.251 -10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.102 21.394 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.026 23.212 -9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.204 22.424 -8.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.303 21.661 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.899 21.039 -11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.330 22.664 -11.581 1.00 0.00 H new ATOM 105 N ALA A 9 13.275 16.784 -9.050 1.00 0.00 N ATOM 106 CA ALA A 9 12.398 15.744 -8.524 1.00 0.00 C ATOM 107 C ALA A 9 13.187 14.469 -8.250 1.00 0.00 C ATOM 108 O ALA A 9 13.368 14.076 -7.099 1.00 0.00 O ATOM 109 CB ALA A 9 11.275 15.459 -9.516 1.00 0.00 C ATOM 0 H ALA A 9 13.030 17.106 -9.986 1.00 0.00 H new ATOM 0 HA ALA A 9 11.966 16.094 -7.586 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.625 14.681 -9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.696 16.367 -9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.701 15.124 -10.462 1.00 0.00 H new ATOM 115 N ALA A 10 13.652 13.827 -9.316 1.00 0.00 N ATOM 116 CA ALA A 10 14.421 12.594 -9.193 1.00 0.00 C ATOM 117 C ALA A 10 15.588 12.787 -8.235 1.00 0.00 C ATOM 118 O ALA A 10 15.901 11.905 -7.436 1.00 0.00 O ATOM 119 CB ALA A 10 14.937 12.161 -10.563 1.00 0.00 C ATOM 0 H ALA A 10 13.510 14.140 -10.276 1.00 0.00 H new ATOM 0 HA ALA A 10 13.769 11.816 -8.795 1.00 0.00 H new ATOM 0 HB1 ALA A 10 15.510 11.239 -10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.094 11.992 -11.233 1.00 0.00 H new ATOM 0 HB3 ALA A 10 15.576 12.942 -10.975 1.00 0.00 H new ATOM 125 N PHE A 11 16.232 13.948 -8.319 1.00 0.00 N ATOM 126 CA PHE A 11 17.370 14.255 -7.457 1.00 0.00 C ATOM 127 C PHE A 11 16.946 14.234 -5.994 1.00 0.00 C ATOM 128 O PHE A 11 17.696 13.781 -5.128 1.00 0.00 O ATOM 129 CB PHE A 11 17.947 15.623 -7.814 1.00 0.00 C ATOM 130 CG PHE A 11 19.459 15.665 -7.703 1.00 0.00 C ATOM 131 CD1 PHE A 11 20.061 15.708 -6.451 1.00 0.00 C ATOM 132 CD2 PHE A 11 20.254 15.656 -8.847 1.00 0.00 C ATOM 133 CE1 PHE A 11 21.442 15.741 -6.343 1.00 0.00 C ATOM 134 CE2 PHE A 11 21.634 15.690 -8.732 1.00 0.00 C ATOM 135 CZ PHE A 11 22.226 15.733 -7.483 1.00 0.00 C ATOM 0 H PHE A 11 15.986 14.690 -8.974 1.00 0.00 H new ATOM 0 HA PHE A 11 18.138 13.496 -7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 11 17.654 15.883 -8.831 1.00 0.00 H new ATOM 0 HB3 PHE A 11 17.517 16.378 -7.156 1.00 0.00 H new ATOM 0 HD1 PHE A 11 19.451 15.716 -5.560 1.00 0.00 H new ATOM 0 HD2 PHE A 11 19.794 15.623 -9.824 1.00 0.00 H new ATOM 0 HE1 PHE A 11 21.907 15.773 -5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 11 22.249 15.683 -9.620 1.00 0.00 H new ATOM 0 HZ PHE A 11 23.302 15.760 -7.397 1.00 0.00 H new ATOM 145 N ASN A 12 15.739 14.720 -5.725 1.00 0.00 N ATOM 146 CA ASN A 12 15.213 14.750 -4.364 1.00 0.00 C ATOM 147 C ASN A 12 14.936 13.334 -3.878 1.00 0.00 C ATOM 148 O ASN A 12 15.156 13.013 -2.710 1.00 0.00 O ATOM 149 CB ASN A 12 13.933 15.578 -4.318 1.00 0.00 C ATOM 150 CG ASN A 12 13.585 15.930 -2.877 1.00 0.00 C ATOM 151 OD1 ASN A 12 14.350 16.608 -2.191 1.00 0.00 O ATOM 152 ND2 ASN A 12 12.427 15.471 -2.420 1.00 0.00 N ATOM 0 H ASN A 12 15.107 15.098 -6.430 1.00 0.00 H new ATOM 0 HA ASN A 12 15.955 15.208 -3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 12 14.060 16.489 -4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 12 13.114 15.020 -4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.139 15.676 -1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.825 14.913 -3.025 1.00 0.00 H new ATOM 159 N SER A 13 14.462 12.487 -4.785 1.00 0.00 N ATOM 160 CA SER A 13 14.165 11.097 -4.449 1.00 0.00 C ATOM 161 C SER A 13 15.433 10.392 -3.988 1.00 0.00 C ATOM 162 O SER A 13 15.378 9.439 -3.211 1.00 0.00 O ATOM 163 CB SER A 13 13.588 10.368 -5.661 1.00 0.00 C ATOM 164 OG SER A 13 12.690 9.350 -5.248 1.00 0.00 O ATOM 0 H SER A 13 14.275 12.736 -5.756 1.00 0.00 H new ATOM 0 HA SER A 13 13.430 11.084 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.071 11.077 -6.307 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.396 9.932 -6.249 1.00 0.00 H new ATOM 0 HG SER A 13 12.328 8.894 -6.036 1.00 0.00 H new ATOM 170 N LEU A 14 16.574 10.867 -4.478 1.00 0.00 N ATOM 171 CA LEU A 14 17.862 10.286 -4.124 1.00 0.00 C ATOM 172 C LEU A 14 18.128 10.460 -2.634 1.00 0.00 C ATOM 173 O LEU A 14 18.812 9.647 -2.013 1.00 0.00 O ATOM 174 CB LEU A 14 18.971 10.960 -4.927 1.00 0.00 C ATOM 175 CG LEU A 14 20.348 10.340 -4.593 1.00 0.00 C ATOM 176 CD1 LEU A 14 20.736 9.278 -5.632 1.00 0.00 C ATOM 177 CD2 LEU A 14 21.462 11.397 -4.491 1.00 0.00 C ATOM 0 H LEU A 14 16.631 11.655 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 14 17.843 9.221 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.769 10.855 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.986 12.028 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 14 20.246 9.871 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.708 8.856 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.987 8.486 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 14 20.788 9.737 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 14 22.407 10.908 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 14 21.553 11.923 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.216 12.110 -3.704 1.00 0.00 H new ATOM 189 N GLN A 15 17.586 11.534 -2.068 1.00 0.00 N ATOM 190 CA GLN A 15 17.759 11.833 -0.650 1.00 0.00 C ATOM 191 C GLN A 15 17.460 10.604 0.203 1.00 0.00 C ATOM 192 O GLN A 15 17.969 10.471 1.315 1.00 0.00 O ATOM 193 CB GLN A 15 16.834 12.978 -0.252 1.00 0.00 C ATOM 194 CG GLN A 15 17.205 13.557 1.111 1.00 0.00 C ATOM 195 CD GLN A 15 18.446 14.431 0.988 1.00 0.00 C ATOM 196 OE1 GLN A 15 18.723 14.987 -0.074 1.00 0.00 O ATOM 197 NE2 GLN A 15 19.195 14.556 2.079 1.00 0.00 N ATOM 0 H GLN A 15 17.020 12.216 -2.573 1.00 0.00 H new ATOM 0 HA GLN A 15 18.795 12.125 -0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 15 16.882 13.763 -1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 15 15.804 12.622 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 15 16.375 14.144 1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 15 17.388 12.750 1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.928 14.077 2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.037 15.131 2.056 1.00 0.00 H new ATOM 206 N ALA A 16 16.630 9.708 -0.325 1.00 0.00 N ATOM 207 CA ALA A 16 16.265 8.486 0.392 1.00 0.00 C ATOM 208 C ALA A 16 17.257 7.360 0.101 1.00 0.00 C ATOM 209 O ALA A 16 16.969 6.191 0.358 1.00 0.00 O ATOM 210 CB ALA A 16 14.860 8.051 -0.011 1.00 0.00 C ATOM 0 H ALA A 16 16.198 9.803 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 16 16.291 8.697 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.593 7.141 0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.150 8.840 0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.832 7.861 -1.084 1.00 0.00 H new ATOM 237 N THR A 19 23.732 6.614 -0.370 1.00 0.00 N ATOM 238 CA THR A 19 24.807 5.634 -0.230 1.00 0.00 C ATOM 239 C THR A 19 25.759 5.712 -1.422 1.00 0.00 C ATOM 240 O THR A 19 26.454 4.747 -1.736 1.00 0.00 O ATOM 241 CB THR A 19 24.224 4.222 -0.092 1.00 0.00 C ATOM 242 OG1 THR A 19 25.201 3.355 0.461 1.00 0.00 O ATOM 243 CG2 THR A 19 23.740 3.663 -1.440 1.00 0.00 C ATOM 0 HA THR A 19 25.373 5.863 0.673 1.00 0.00 H new ATOM 0 HB THR A 19 23.360 4.284 0.569 1.00 0.00 H new ATOM 0 HG1 THR A 19 26.040 3.447 -0.037 1.00 0.00 H new ATOM 0 HG21 THR A 19 23.335 2.662 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.964 4.312 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A 19 24.577 3.618 -2.137 1.00 0.00 H new ATOM 251 N GLU A 20 25.784 6.865 -2.081 1.00 0.00 N ATOM 252 CA GLU A 20 26.643 7.073 -3.238 1.00 0.00 C ATOM 253 C GLU A 20 28.005 7.623 -2.819 1.00 0.00 C ATOM 254 O GLU A 20 28.847 7.927 -3.663 1.00 0.00 O ATOM 255 CB GLU A 20 25.967 8.051 -4.191 1.00 0.00 C ATOM 256 CG GLU A 20 25.671 7.418 -5.551 1.00 0.00 C ATOM 257 CD GLU A 20 24.898 6.116 -5.374 1.00 0.00 C ATOM 258 OE1 GLU A 20 23.757 6.166 -4.868 1.00 0.00 O ATOM 259 OE2 GLU A 20 25.435 5.050 -5.741 1.00 0.00 O ATOM 0 H GLU A 20 25.215 7.674 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 20 26.801 6.115 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.037 8.405 -3.746 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.607 8.923 -4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.094 8.111 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 20 26.604 7.225 -6.080 1.00 0.00 H new ATOM 266 N TYR A 21 28.211 7.778 -1.518 1.00 0.00 N ATOM 267 CA TYR A 21 29.468 8.319 -1.006 1.00 0.00 C ATOM 268 C TYR A 21 30.142 7.379 0.002 1.00 0.00 C ATOM 269 O TYR A 21 31.317 7.558 0.320 1.00 0.00 O ATOM 270 CB TYR A 21 29.205 9.670 -0.345 1.00 0.00 C ATOM 271 CG TYR A 21 29.163 10.812 -1.336 1.00 0.00 C ATOM 272 CD1 TYR A 21 30.329 11.475 -1.689 1.00 0.00 C ATOM 273 CD2 TYR A 21 27.955 11.202 -1.896 1.00 0.00 C ATOM 274 CE1 TYR A 21 30.285 12.522 -2.596 1.00 0.00 C ATOM 275 CE2 TYR A 21 27.915 12.248 -2.802 1.00 0.00 C ATOM 276 CZ TYR A 21 29.079 12.903 -3.148 1.00 0.00 C ATOM 277 OH TYR A 21 29.037 13.942 -4.051 1.00 0.00 O ATOM 0 H TYR A 21 27.529 7.539 -0.799 1.00 0.00 H new ATOM 0 HA TYR A 21 30.146 8.431 -1.852 1.00 0.00 H new ATOM 0 HB2 TYR A 21 28.258 9.627 0.193 1.00 0.00 H new ATOM 0 HB3 TYR A 21 29.983 9.865 0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 21 31.272 11.175 -1.257 1.00 0.00 H new ATOM 0 HD2 TYR A 21 27.044 10.689 -1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 21 31.193 13.039 -2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 21 26.974 12.551 -3.237 1.00 0.00 H new ATOM 0 HH TYR A 21 28.113 14.083 -4.345 1.00 0.00 H new ATOM 287 N ILE A 22 29.405 6.398 0.527 1.00 0.00 N ATOM 288 CA ILE A 22 29.964 5.477 1.519 1.00 0.00 C ATOM 289 C ILE A 22 30.566 4.224 0.874 1.00 0.00 C ATOM 290 O ILE A 22 31.630 3.765 1.287 1.00 0.00 O ATOM 291 CB ILE A 22 28.884 5.082 2.546 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.261 6.335 3.237 1.00 0.00 C ATOM 293 CG2 ILE A 22 29.453 4.094 3.584 1.00 0.00 C ATOM 294 CD1 ILE A 22 27.395 5.955 4.442 1.00 0.00 C ATOM 0 H ILE A 22 28.430 6.222 0.285 1.00 0.00 H new ATOM 0 HA ILE A 22 30.774 6.000 2.027 1.00 0.00 H new ATOM 0 HB ILE A 22 28.080 4.581 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 22 29.058 7.005 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 22 27.657 6.884 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 22 28.674 3.829 4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.802 3.194 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 22 30.286 4.560 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.982 6.858 4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 22 26.581 5.307 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 22 28.005 5.429 5.177 1.00 0.00 H new ATOM 306 N GLY A 23 29.893 3.662 -0.123 1.00 0.00 N ATOM 307 CA GLY A 23 30.391 2.458 -0.788 1.00 0.00 C ATOM 308 C GLY A 23 31.761 2.708 -1.406 1.00 0.00 C ATOM 309 O GLY A 23 32.740 2.048 -1.063 1.00 0.00 O ATOM 0 H GLY A 23 29.008 4.015 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 23 30.455 1.641 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 23 29.689 2.148 -1.562 1.00 0.00 H new ATOM 313 N TYR A 24 31.816 3.660 -2.324 1.00 0.00 N ATOM 314 CA TYR A 24 33.059 4.008 -3.007 1.00 0.00 C ATOM 315 C TYR A 24 34.178 4.261 -2.005 1.00 0.00 C ATOM 316 O TYR A 24 35.350 4.029 -2.303 1.00 0.00 O ATOM 317 CB TYR A 24 32.837 5.243 -3.871 1.00 0.00 C ATOM 318 CG TYR A 24 31.584 5.129 -4.717 1.00 0.00 C ATOM 319 CD1 TYR A 24 31.591 4.339 -5.859 1.00 0.00 C ATOM 320 CD2 TYR A 24 30.421 5.800 -4.355 1.00 0.00 C ATOM 321 CE1 TYR A 24 30.447 4.221 -6.630 1.00 0.00 C ATOM 322 CE2 TYR A 24 29.281 5.677 -5.131 1.00 0.00 C ATOM 323 CZ TYR A 24 29.299 4.889 -6.262 1.00 0.00 C ATOM 324 OH TYR A 24 28.164 4.769 -7.031 1.00 0.00 O ATOM 0 H TYR A 24 31.009 4.211 -2.617 1.00 0.00 H new ATOM 0 HA TYR A 24 33.356 3.171 -3.640 1.00 0.00 H new ATOM 0 HB2 TYR A 24 32.764 6.123 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.700 5.391 -4.520 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.491 3.815 -6.146 1.00 0.00 H new ATOM 0 HD2 TYR A 24 30.407 6.417 -3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 24 30.454 3.607 -7.518 1.00 0.00 H new ATOM 0 HE2 TYR A 24 28.378 6.198 -4.850 1.00 0.00 H new ATOM 0 HH TYR A 24 27.372 4.884 -6.465 1.00 0.00 H new ATOM 334 N ALA A 25 33.819 4.733 -0.816 1.00 0.00 N ATOM 335 CA ALA A 25 34.808 5.007 0.221 1.00 0.00 C ATOM 336 C ALA A 25 35.574 3.736 0.567 1.00 0.00 C ATOM 337 O ALA A 25 36.691 3.797 1.078 1.00 0.00 O ATOM 338 CB ALA A 25 34.130 5.563 1.470 1.00 0.00 C ATOM 0 H ALA A 25 32.856 4.933 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 25 35.509 5.751 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 25 34.882 5.762 2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 25 33.612 6.489 1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 25 33.412 4.836 1.848 1.00 0.00 H new ATOM 344 N TRP A 26 34.969 2.584 0.283 1.00 0.00 N ATOM 345 CA TRP A 26 35.600 1.301 0.561 1.00 0.00 C ATOM 346 C TRP A 26 36.582 0.950 -0.545 1.00 0.00 C ATOM 347 O TRP A 26 37.746 0.646 -0.282 1.00 0.00 O ATOM 348 CB TRP A 26 34.535 0.215 0.681 1.00 0.00 C ATOM 349 CG TRP A 26 34.284 -0.186 2.099 1.00 0.00 C ATOM 350 CD1 TRP A 26 33.221 0.184 2.867 1.00 0.00 C ATOM 351 CD2 TRP A 26 35.112 -1.029 2.926 1.00 0.00 C ATOM 352 NE1 TRP A 26 33.350 -0.378 4.103 1.00 0.00 N ATOM 353 CE2 TRP A 26 34.487 -1.123 4.177 1.00 0.00 C ATOM 354 CE3 TRP A 26 36.314 -1.709 2.731 1.00 0.00 C ATOM 355 CZ2 TRP A 26 35.026 -1.866 5.215 1.00 0.00 C ATOM 356 CZ3 TRP A 26 36.860 -2.456 3.765 1.00 0.00 C ATOM 357 CH2 TRP A 26 36.221 -2.533 4.997 1.00 0.00 C ATOM 0 H TRP A 26 34.043 2.516 -0.139 1.00 0.00 H new ATOM 0 HA TRP A 26 36.144 1.370 1.503 1.00 0.00 H new ATOM 0 HB2 TRP A 26 33.605 0.572 0.238 1.00 0.00 H new ATOM 0 HB3 TRP A 26 34.846 -0.659 0.109 1.00 0.00 H new ATOM 0 HD1 TRP A 26 32.408 0.819 2.549 1.00 0.00 H new ATOM 0 HE1 TRP A 26 32.686 -0.257 4.867 1.00 0.00 H new ATOM 0 HE3 TRP A 26 36.818 -1.654 1.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 34.527 -1.924 6.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 37.790 -2.983 3.611 1.00 0.00 H new ATOM 0 HH2 TRP A 26 36.660 -3.118 5.792 1.00 0.00 H new ATOM 368 N ALA A 27 36.110 0.998 -1.786 1.00 0.00 N ATOM 369 CA ALA A 27 36.952 0.691 -2.937 1.00 0.00 C ATOM 370 C ALA A 27 38.231 1.518 -2.887 1.00 0.00 C ATOM 371 O ALA A 27 39.258 1.124 -3.439 1.00 0.00 O ATOM 372 CB ALA A 27 36.196 0.977 -4.231 1.00 0.00 C ATOM 0 H ALA A 27 35.149 1.247 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 27 37.214 -0.367 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 27 36.834 0.744 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 27 35.297 0.361 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 27 35.916 2.030 -4.264 1.00 0.00 H new ATOM 378 N MET A 28 38.163 2.664 -2.217 1.00 0.00 N ATOM 379 CA MET A 28 39.318 3.545 -2.089 1.00 0.00 C ATOM 380 C MET A 28 40.225 3.043 -0.973 1.00 0.00 C ATOM 381 O MET A 28 41.450 3.098 -1.082 1.00 0.00 O ATOM 382 CB MET A 28 38.861 4.977 -1.787 1.00 0.00 C ATOM 383 CG MET A 28 38.902 5.885 -3.022 1.00 0.00 C ATOM 384 SD MET A 28 40.508 5.890 -3.838 1.00 0.00 S ATOM 385 CE MET A 28 40.986 7.613 -3.635 1.00 0.00 C ATOM 0 H MET A 28 37.320 3.004 -1.754 1.00 0.00 H new ATOM 0 HA MET A 28 39.870 3.545 -3.029 1.00 0.00 H new ATOM 0 HB2 MET A 28 37.845 4.954 -1.392 1.00 0.00 H new ATOM 0 HB3 MET A 28 39.496 5.400 -1.009 1.00 0.00 H new ATOM 0 HG2 MET A 28 38.141 5.559 -3.731 1.00 0.00 H new ATOM 0 HG3 MET A 28 38.647 6.903 -2.727 1.00 0.00 H new ATOM 0 HE1 MET A 28 41.963 7.776 -4.090 1.00 0.00 H new ATOM 0 HE2 MET A 28 40.249 8.254 -4.119 1.00 0.00 H new ATOM 0 HE3 MET A 28 41.036 7.854 -2.573 1.00 0.00 H new ATOM 395 N VAL A 29 39.613 2.548 0.097 1.00 0.00 N ATOM 396 CA VAL A 29 40.351 2.027 1.238 1.00 0.00 C ATOM 397 C VAL A 29 41.222 0.851 0.804 1.00 0.00 C ATOM 398 O VAL A 29 42.286 0.611 1.376 1.00 0.00 O ATOM 399 CB VAL A 29 39.357 1.602 2.322 1.00 0.00 C ATOM 400 CG1 VAL A 29 40.045 0.810 3.426 1.00 0.00 C ATOM 401 CG2 VAL A 29 38.658 2.825 2.909 1.00 0.00 C ATOM 0 H VAL A 29 38.599 2.497 0.196 1.00 0.00 H new ATOM 0 HA VAL A 29 41.006 2.799 1.641 1.00 0.00 H new ATOM 0 HB VAL A 29 38.613 0.955 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 29 39.311 0.524 4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 29 40.499 -0.086 3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 29 40.818 1.425 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 29 37.954 2.507 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 29 39.400 3.492 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 29 38.120 3.350 2.120 1.00 0.00 H new ATOM 411 N VAL A 30 40.764 0.120 -0.208 1.00 0.00 N ATOM 412 CA VAL A 30 41.495 -1.031 -0.718 1.00 0.00 C ATOM 413 C VAL A 30 42.695 -0.579 -1.556 1.00 0.00 C ATOM 414 O VAL A 30 43.707 -1.276 -1.633 1.00 0.00 O ATOM 415 CB VAL A 30 40.531 -1.930 -1.516 1.00 0.00 C ATOM 416 CG1 VAL A 30 40.625 -1.698 -3.024 1.00 0.00 C ATOM 417 CG2 VAL A 30 40.791 -3.394 -1.188 1.00 0.00 C ATOM 0 H VAL A 30 39.886 0.307 -0.692 1.00 0.00 H new ATOM 0 HA VAL A 30 41.895 -1.614 0.112 1.00 0.00 H new ATOM 0 HB VAL A 30 39.518 -1.663 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 30 39.925 -2.357 -3.538 1.00 0.00 H new ATOM 0 HG12 VAL A 30 40.378 -0.660 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 30 41.639 -1.911 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 30 40.105 -4.022 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 30 41.818 -3.649 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 30 40.637 -3.561 -0.122 1.00 0.00 H new ATOM 427 N VAL A 31 42.567 0.583 -2.188 1.00 0.00 N ATOM 428 CA VAL A 31 43.625 1.124 -3.025 1.00 0.00 C ATOM 429 C VAL A 31 44.669 1.848 -2.182 1.00 0.00 C ATOM 430 O VAL A 31 45.818 2.003 -2.599 1.00 0.00 O ATOM 431 CB VAL A 31 43.014 2.075 -4.048 1.00 0.00 C ATOM 432 CG1 VAL A 31 44.096 2.740 -4.881 1.00 0.00 C ATOM 433 CG2 VAL A 31 42.034 1.328 -4.949 1.00 0.00 C ATOM 0 H VAL A 31 41.734 1.169 -2.134 1.00 0.00 H new ATOM 0 HA VAL A 31 44.126 0.305 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 31 42.472 2.852 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 31 43.636 3.414 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 31 44.761 3.306 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 31 44.669 1.978 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 31 41.606 2.020 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 31 42.559 0.530 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 31 41.236 0.899 -4.342 1.00 0.00 H new ATOM 443 N ILE A 32 44.267 2.289 -1.000 1.00 0.00 N ATOM 444 CA ILE A 32 45.171 2.997 -0.098 1.00 0.00 C ATOM 445 C ILE A 32 45.903 2.008 0.803 1.00 0.00 C ATOM 446 O ILE A 32 47.007 2.283 1.273 1.00 0.00 O ATOM 447 CB ILE A 32 44.391 4.005 0.746 1.00 0.00 C ATOM 448 CG1 ILE A 32 43.757 5.064 -0.156 1.00 0.00 C ATOM 449 CG2 ILE A 32 45.296 4.662 1.787 1.00 0.00 C ATOM 450 CD1 ILE A 32 43.077 6.162 0.661 1.00 0.00 C ATOM 0 H ILE A 32 43.320 2.170 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 32 45.908 3.535 -0.694 1.00 0.00 H new ATOM 0 HB ILE A 32 43.601 3.473 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 32 44.523 5.505 -0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 32 43.026 4.593 -0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 32 44.717 5.375 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 32 45.707 3.897 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 32 46.111 5.183 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.637 6.897 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 32 42.294 5.723 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 32 43.814 6.650 1.299 1.00 0.00 H new ATOM 462 N VAL A 33 45.286 0.855 1.036 1.00 0.00 N ATOM 463 CA VAL A 33 45.871 -0.173 1.871 1.00 0.00 C ATOM 464 C VAL A 33 46.937 -0.929 1.080 1.00 0.00 C ATOM 465 O VAL A 33 47.923 -1.402 1.643 1.00 0.00 O ATOM 466 CB VAL A 33 44.756 -1.105 2.343 1.00 0.00 C ATOM 467 CG1 VAL A 33 45.316 -2.406 2.897 1.00 0.00 C ATOM 468 CG2 VAL A 33 43.894 -0.410 3.393 1.00 0.00 C ATOM 0 H VAL A 33 44.373 0.613 0.652 1.00 0.00 H new ATOM 0 HA VAL A 33 46.355 0.266 2.744 1.00 0.00 H new ATOM 0 HB VAL A 33 44.137 -1.349 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 33 44.496 -3.045 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 33 45.887 -2.916 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 33 45.967 -2.190 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 33 43.104 -1.086 3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 33 44.513 -0.134 4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 33 43.449 0.487 2.963 1.00 0.00 H new ATOM 478 N GLY A 34 46.730 -1.033 -0.230 1.00 0.00 N ATOM 479 CA GLY A 34 47.673 -1.726 -1.100 1.00 0.00 C ATOM 480 C GLY A 34 48.790 -0.789 -1.531 1.00 0.00 C ATOM 481 O GLY A 34 49.970 -1.104 -1.372 1.00 0.00 O ATOM 0 H GLY A 34 45.918 -0.646 -0.711 1.00 0.00 H new ATOM 0 HA2 GLY A 34 48.093 -2.586 -0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 34 47.153 -2.109 -1.978 1.00 0.00 H new ATOM 485 N ALA A 35 48.417 0.372 -2.069 1.00 0.00 N ATOM 486 CA ALA A 35 49.399 1.361 -2.509 1.00 0.00 C ATOM 487 C ALA A 35 50.410 1.602 -1.399 1.00 0.00 C ATOM 488 O ALA A 35 51.587 1.858 -1.654 1.00 0.00 O ATOM 489 CB ALA A 35 48.702 2.668 -2.875 1.00 0.00 C ATOM 0 H ALA A 35 47.446 0.650 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 35 49.916 0.984 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 35 49.444 3.397 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 35 47.991 2.488 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 35 48.172 3.054 -2.004 1.00 0.00 H new ATOM 495 N THR A 36 49.938 1.492 -0.163 1.00 0.00 N ATOM 496 CA THR A 36 50.787 1.672 1.006 1.00 0.00 C ATOM 497 C THR A 36 51.849 0.581 1.020 1.00 0.00 C ATOM 498 O THR A 36 53.016 0.836 1.314 1.00 0.00 O ATOM 499 CB THR A 36 49.924 1.613 2.271 1.00 0.00 C ATOM 500 OG1 THR A 36 49.120 2.779 2.359 1.00 0.00 O ATOM 501 CG2 THR A 36 50.777 1.475 3.530 1.00 0.00 C ATOM 0 H THR A 36 48.965 1.278 0.055 1.00 0.00 H new ATOM 0 HA THR A 36 51.283 2.642 0.971 1.00 0.00 H new ATOM 0 HB THR A 36 49.288 0.731 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 36 48.425 2.750 1.669 1.00 0.00 H new ATOM 0 HG21 THR A 36 50.129 1.436 4.406 1.00 0.00 H new ATOM 0 HG22 THR A 36 51.365 0.559 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 36 51.447 2.331 3.611 1.00 0.00 H new ATOM 509 N ILE A 37 51.432 -0.634 0.684 1.00 0.00 N ATOM 510 CA ILE A 37 52.336 -1.775 0.639 1.00 0.00 C ATOM 511 C ILE A 37 53.202 -1.702 -0.614 1.00 0.00 C ATOM 512 O ILE A 37 54.311 -2.234 -0.649 1.00 0.00 O ATOM 513 CB ILE A 37 51.530 -3.068 0.642 1.00 0.00 C ATOM 514 CG1 ILE A 37 50.669 -3.151 1.895 1.00 0.00 C ATOM 515 CG2 ILE A 37 52.448 -4.282 0.544 1.00 0.00 C ATOM 516 CD1 ILE A 37 49.867 -4.449 1.930 1.00 0.00 C ATOM 0 H ILE A 37 50.467 -0.854 0.437 1.00 0.00 H new ATOM 0 HA ILE A 37 52.983 -1.756 1.516 1.00 0.00 H new ATOM 0 HB ILE A 37 50.878 -3.066 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 37 51.303 -3.088 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 37 49.989 -2.300 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 37 51.849 -5.193 0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 37 53.023 -4.230 -0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 37 53.130 -4.292 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 37 49.262 -4.479 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 37 49.216 -4.498 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 37 50.550 -5.299 1.921 1.00 0.00 H new ATOM 528 N GLY A 38 52.685 -1.035 -1.644 1.00 0.00 N ATOM 529 CA GLY A 38 53.402 -0.882 -2.903 1.00 0.00 C ATOM 530 C GLY A 38 54.621 -0.001 -2.724 1.00 0.00 C ATOM 531 O GLY A 38 55.727 -0.350 -3.139 1.00 0.00 O ATOM 0 H GLY A 38 51.767 -0.591 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 38 53.706 -1.860 -3.275 1.00 0.00 H new ATOM 0 HA3 GLY A 38 52.741 -0.448 -3.653 1.00 0.00 H new ATOM 535 N ILE A 39 54.406 1.151 -2.113 1.00 0.00 N ATOM 536 CA ILE A 39 55.474 2.104 -1.881 1.00 0.00 C ATOM 537 C ILE A 39 56.462 1.568 -0.849 1.00 0.00 C ATOM 538 O ILE A 39 57.673 1.739 -0.995 1.00 0.00 O ATOM 539 CB ILE A 39 54.879 3.426 -1.417 1.00 0.00 C ATOM 540 CG1 ILE A 39 53.915 3.980 -2.467 1.00 0.00 C ATOM 541 CG2 ILE A 39 55.982 4.426 -1.146 1.00 0.00 C ATOM 542 CD1 ILE A 39 52.612 4.452 -1.832 1.00 0.00 C ATOM 0 H ILE A 39 53.494 1.449 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 39 56.018 2.263 -2.812 1.00 0.00 H new ATOM 0 HB ILE A 39 54.324 3.251 -0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 39 54.386 4.810 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 39 53.702 3.211 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 39 55.546 5.368 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 39 56.642 4.039 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 39 56.555 4.592 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 39 51.950 4.840 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 39 52.129 3.615 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 39 52.824 5.239 -1.108 1.00 0.00 H new ATOM 554 N LYS A 40 55.949 0.915 0.188 1.00 0.00 N ATOM 555 CA LYS A 40 56.805 0.354 1.228 1.00 0.00 C ATOM 556 C LYS A 40 57.745 -0.678 0.620 1.00 0.00 C ATOM 557 O LYS A 40 58.910 -0.773 1.006 1.00 0.00 O ATOM 558 CB LYS A 40 55.958 -0.283 2.325 1.00 0.00 C ATOM 559 CG LYS A 40 56.270 0.299 3.708 1.00 0.00 C ATOM 560 CD LYS A 40 55.362 1.485 4.064 1.00 0.00 C ATOM 561 CE LYS A 40 55.455 2.643 3.059 1.00 0.00 C ATOM 562 NZ LYS A 40 54.244 3.510 3.131 1.00 0.00 N ATOM 0 H LYS A 40 54.951 0.761 0.331 1.00 0.00 H new ATOM 0 HA LYS A 40 57.396 1.155 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.902 -0.134 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 40 56.132 -1.359 2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 40 56.156 -0.481 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 40 57.311 0.621 3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 40 54.329 1.140 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 40 55.626 1.851 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 40 56.345 3.237 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 40 55.563 2.246 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 54.338 4.295 2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 53.401 2.949 2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 54.147 3.892 4.093 1.00 0.00 H new ATOM 576 N LEU A 41 57.235 -1.445 -0.337 1.00 0.00 N ATOM 577 CA LEU A 41 58.035 -2.466 -1.006 1.00 0.00 C ATOM 578 C LEU A 41 59.234 -1.826 -1.701 1.00 0.00 C ATOM 579 O LEU A 41 60.302 -2.429 -1.796 1.00 0.00 O ATOM 580 CB LEU A 41 57.176 -3.210 -2.027 1.00 0.00 C ATOM 581 CG LEU A 41 56.450 -4.398 -1.391 1.00 0.00 C ATOM 582 CD1 LEU A 41 55.600 -5.119 -2.433 1.00 0.00 C ATOM 583 CD2 LEU A 41 57.435 -5.374 -0.741 1.00 0.00 C ATOM 0 H LEU A 41 56.272 -1.380 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 41 58.399 -3.174 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.446 -2.525 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.805 -3.562 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 41 55.799 -4.010 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.090 -5.962 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.862 -4.429 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 41 56.240 -5.483 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 41 56.886 -6.205 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.123 -5.754 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 41 57.999 -4.858 0.036 1.00 0.00 H new ATOM 595 N PHE A 42 59.049 -0.600 -2.185 1.00 0.00 N ATOM 596 CA PHE A 42 60.113 0.129 -2.872 1.00 0.00 C ATOM 597 C PHE A 42 61.202 0.514 -1.878 1.00 0.00 C ATOM 598 O PHE A 42 62.372 0.180 -2.059 1.00 0.00 O ATOM 599 CB PHE A 42 59.521 1.375 -3.544 1.00 0.00 C ATOM 600 CG PHE A 42 60.529 2.453 -3.910 1.00 0.00 C ATOM 601 CD1 PHE A 42 61.863 2.142 -4.145 1.00 0.00 C ATOM 602 CD2 PHE A 42 60.105 3.769 -4.020 1.00 0.00 C ATOM 603 CE1 PHE A 42 62.761 3.142 -4.483 1.00 0.00 C ATOM 604 CE2 PHE A 42 61.003 4.765 -4.359 1.00 0.00 C ATOM 605 CZ PHE A 42 62.331 4.453 -4.591 1.00 0.00 C ATOM 0 H PHE A 42 58.169 -0.089 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 42 60.560 -0.504 -3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 42 58.998 1.066 -4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 42 58.775 1.808 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 42 62.200 1.119 -4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 42 59.069 4.017 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE A 42 63.798 2.898 -4.662 1.00 0.00 H new ATOM 0 HE2 PHE A 42 60.667 5.788 -4.443 1.00 0.00 H new ATOM 0 HZ PHE A 42 63.031 5.232 -4.856 1.00 0.00 H new ATOM 615 N LYS A 43 60.806 1.224 -0.832 1.00 0.00 N ATOM 616 CA LYS A 43 61.731 1.673 0.203 1.00 0.00 C ATOM 617 C LYS A 43 62.734 0.585 0.585 1.00 0.00 C ATOM 618 O LYS A 43 63.838 0.886 1.038 1.00 0.00 O ATOM 619 CB LYS A 43 60.932 2.105 1.418 1.00 0.00 C ATOM 620 CG LYS A 43 60.234 3.432 1.129 1.00 0.00 C ATOM 621 CD LYS A 43 60.817 4.584 1.968 1.00 0.00 C ATOM 622 CE LYS A 43 60.267 5.957 1.560 1.00 0.00 C ATOM 623 NZ LYS A 43 59.685 5.939 0.184 1.00 0.00 N ATOM 0 H LYS A 43 59.838 1.505 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 43 62.307 2.512 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 43 60.195 1.343 1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 43 61.591 2.210 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 43 60.331 3.670 0.070 1.00 0.00 H new ATOM 0 HG3 LYS A 43 59.169 3.334 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 43 60.596 4.408 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 43 61.902 4.588 1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 43 59.503 6.268 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 43 61.067 6.696 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 59.371 6.897 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 60.406 5.618 -0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 58.873 5.290 0.159 1.00 0.00 H new ATOM 637 N LYS A 44 62.348 -0.678 0.414 1.00 0.00 N ATOM 638 CA LYS A 44 63.223 -1.794 0.758 1.00 0.00 C ATOM 639 C LYS A 44 63.960 -2.319 -0.472 1.00 0.00 C ATOM 640 O LYS A 44 65.180 -2.482 -0.450 1.00 0.00 O ATOM 641 CB LYS A 44 62.397 -2.919 1.392 1.00 0.00 C ATOM 642 CG LYS A 44 63.267 -3.996 2.053 1.00 0.00 C ATOM 643 CD LYS A 44 63.497 -5.180 1.107 1.00 0.00 C ATOM 644 CE LYS A 44 64.062 -6.417 1.842 1.00 0.00 C ATOM 645 NZ LYS A 44 64.603 -6.067 3.189 1.00 0.00 N ATOM 0 H LYS A 44 61.439 -0.952 0.041 1.00 0.00 H new ATOM 0 HA LYS A 44 63.967 -1.439 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 44 61.724 -2.494 2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 44 61.774 -3.381 0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 44 64.226 -3.566 2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 44 62.786 -4.345 2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 44 62.556 -5.445 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 44 64.187 -4.883 0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 44 63.277 -7.165 1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 44 64.851 -6.868 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 65.136 -6.875 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 65.234 -5.244 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 63.817 -5.838 3.830 1.00 0.00 H new ATOM 659 N PHE A 45 63.215 -2.596 -1.541 1.00 0.00 N ATOM 660 CA PHE A 45 63.806 -3.117 -2.770 1.00 0.00 C ATOM 661 C PHE A 45 64.611 -2.057 -3.500 1.00 0.00 C ATOM 662 O PHE A 45 65.722 -2.331 -3.952 1.00 0.00 O ATOM 663 CB PHE A 45 62.724 -3.651 -3.696 1.00 0.00 C ATOM 664 CG PHE A 45 62.481 -5.138 -3.511 1.00 0.00 C ATOM 665 CD1 PHE A 45 63.401 -6.054 -4.019 1.00 0.00 C ATOM 666 CD2 PHE A 45 61.350 -5.599 -2.843 1.00 0.00 C ATOM 667 CE1 PHE A 45 63.188 -7.413 -3.857 1.00 0.00 C ATOM 668 CE2 PHE A 45 61.146 -6.960 -2.685 1.00 0.00 C ATOM 669 CZ PHE A 45 62.062 -7.865 -3.192 1.00 0.00 C ATOM 0 H PHE A 45 62.204 -2.468 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 45 64.479 -3.926 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 45 61.796 -3.109 -3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 45 63.009 -3.459 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 45 64.280 -5.704 -4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 45 60.632 -4.896 -2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 45 63.902 -8.121 -4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 45 60.269 -7.316 -2.164 1.00 0.00 H new ATOM 0 HZ PHE A 45 61.898 -8.925 -3.068 1.00 0.00 H new