USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 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 5 SER OG : rot -40:sc= 0.785 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 0.641 K(o=0.64,f=-6.5!) USER MOD Single : A 17 THR OG1 : rot 99:sc= 1.12 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.000662 X(o=-0.00066,f=-0.43) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.39) USER MOD Single : A 33 GLN : amide:sc= -0.513 K(o=-0.51,f=-1.9) USER MOD Single : A 34 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 0.216 28.945 -6.393 1.00 0.00 N ATOM 44 CA SER A 5 -0.024 27.508 -6.523 1.00 0.00 C ATOM 45 C SER A 5 0.922 26.695 -5.632 1.00 0.00 C ATOM 46 O SER A 5 1.063 25.488 -5.820 1.00 0.00 O ATOM 47 CB SER A 5 0.126 27.071 -7.983 1.00 0.00 C ATOM 48 OG SER A 5 -0.277 25.720 -8.155 1.00 0.00 O ATOM 0 HA SER A 5 -1.045 27.314 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.474 27.717 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.164 27.187 -8.296 1.00 0.00 H new ATOM 0 HG SER A 5 0.039 25.185 -7.397 1.00 0.00 H new ATOM 54 N LEU A 6 1.554 27.353 -4.653 1.00 0.00 N ATOM 55 CA LEU A 6 2.467 26.667 -3.737 1.00 0.00 C ATOM 56 C LEU A 6 1.703 25.658 -2.891 1.00 0.00 C ATOM 57 O LEU A 6 1.977 24.457 -2.928 1.00 0.00 O ATOM 58 CB LEU A 6 3.191 27.677 -2.838 1.00 0.00 C ATOM 59 CG LEU A 6 4.064 28.696 -3.574 1.00 0.00 C ATOM 60 CD1 LEU A 6 4.394 29.871 -2.669 1.00 0.00 C ATOM 61 CD2 LEU A 6 5.339 28.038 -4.076 1.00 0.00 C ATOM 0 H LEU A 6 1.450 28.352 -4.477 1.00 0.00 H new ATOM 0 HA LEU A 6 3.214 26.136 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.447 28.216 -2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.816 27.129 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 6 3.506 29.070 -4.432 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.015 30.584 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.471 30.359 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.933 29.514 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.949 28.776 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.898 27.637 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.086 27.228 -4.760 1.00 0.00 H new ATOM 73 N SER A 7 0.722 26.157 -2.149 1.00 0.00 N ATOM 74 CA SER A 7 -0.114 25.308 -1.305 1.00 0.00 C ATOM 75 C SER A 7 -0.838 24.262 -2.147 1.00 0.00 C ATOM 76 O SER A 7 -1.002 23.117 -1.725 1.00 0.00 O ATOM 77 CB SER A 7 -1.126 26.152 -0.524 1.00 0.00 C ATOM 78 OG SER A 7 -0.489 27.248 0.118 1.00 0.00 O ATOM 0 H SER A 7 0.484 27.148 -2.114 1.00 0.00 H new ATOM 0 HA SER A 7 0.532 24.795 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.897 26.521 -1.201 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.626 25.531 0.220 1.00 0.00 H new ATOM 0 HG SER A 7 -1.156 27.772 0.608 1.00 0.00 H new ATOM 84 N ILE A 8 -1.249 24.661 -3.348 1.00 0.00 N ATOM 85 CA ILE A 8 -1.942 23.754 -4.265 1.00 0.00 C ATOM 86 C ILE A 8 -1.005 22.681 -4.798 1.00 0.00 C ATOM 87 O ILE A 8 -1.430 21.577 -5.115 1.00 0.00 O ATOM 88 CB ILE A 8 -2.587 24.506 -5.453 1.00 0.00 C ATOM 89 CG1 ILE A 8 -3.385 25.718 -4.964 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.488 23.569 -6.247 1.00 0.00 C ATOM 91 CD1 ILE A 8 -3.732 26.697 -6.067 1.00 0.00 C ATOM 0 H ILE A 8 -1.115 25.605 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.735 23.282 -3.685 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.788 24.862 -6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.305 25.372 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.810 26.236 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.935 24.113 -7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.899 22.737 -6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.276 23.186 -5.599 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.297 27.530 -5.649 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.815 27.072 -6.522 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.334 26.194 -6.824 1.00 0.00 H new ATOM 103 N ASP A 9 0.269 23.006 -4.875 1.00 0.00 N ATOM 104 CA ASP A 9 1.269 22.058 -5.352 1.00 0.00 C ATOM 105 C ASP A 9 1.622 21.042 -4.264 1.00 0.00 C ATOM 106 O ASP A 9 1.927 19.887 -4.563 1.00 0.00 O ATOM 107 CB ASP A 9 2.529 22.795 -5.825 1.00 0.00 C ATOM 108 CG ASP A 9 3.479 21.906 -6.609 1.00 0.00 C ATOM 109 OD1 ASP A 9 3.002 20.974 -7.298 1.00 0.00 O ATOM 110 OD2 ASP A 9 4.701 22.142 -6.536 1.00 0.00 O ATOM 0 H ASP A 9 0.642 23.919 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 9 0.845 21.517 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.236 23.641 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.052 23.201 -4.959 1.00 0.00 H new ATOM 115 N LEU A 10 1.573 21.476 -3.006 1.00 0.00 N ATOM 116 CA LEU A 10 1.889 20.598 -1.877 1.00 0.00 C ATOM 117 C LEU A 10 0.643 19.888 -1.329 1.00 0.00 C ATOM 118 O LEU A 10 0.644 18.664 -1.176 1.00 0.00 O ATOM 119 CB LEU A 10 2.591 21.387 -0.763 1.00 0.00 C ATOM 120 CG LEU A 10 1.781 22.534 -0.150 1.00 0.00 C ATOM 121 CD1 LEU A 10 1.140 22.099 1.158 1.00 0.00 C ATOM 122 CD2 LEU A 10 2.668 23.748 0.073 1.00 0.00 C ATOM 0 H LEU A 10 1.318 22.428 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 10 2.565 19.827 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.863 20.693 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.520 21.795 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 10 0.988 22.805 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.569 22.928 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.474 21.256 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.917 21.801 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.078 24.554 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.480 23.485 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.082 24.076 -0.880 1.00 0.00 H new ATOM 134 N THR A 11 -0.418 20.647 -1.031 1.00 0.00 N ATOM 135 CA THR A 11 -1.653 20.063 -0.492 1.00 0.00 C ATOM 136 C THR A 11 -2.242 19.031 -1.446 1.00 0.00 C ATOM 137 O THR A 11 -2.535 17.907 -1.036 1.00 0.00 O ATOM 138 CB THR A 11 -2.679 21.153 -0.168 1.00 0.00 C ATOM 139 OG1 THR A 11 -2.431 21.693 1.117 1.00 0.00 O ATOM 140 CG2 THR A 11 -4.116 20.676 -0.181 1.00 0.00 C ATOM 0 H THR A 11 -0.447 21.659 -1.153 1.00 0.00 H new ATOM 0 HA THR A 11 -1.397 19.550 0.435 1.00 0.00 H new ATOM 0 HB THR A 11 -2.560 21.894 -0.958 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.092 22.390 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.778 21.508 0.058 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.362 20.289 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.244 19.886 0.559 1.00 0.00 H new ATOM 148 N PHE A 12 -2.395 19.396 -2.722 1.00 0.00 N ATOM 149 CA PHE A 12 -2.930 18.465 -3.707 1.00 0.00 C ATOM 150 C PHE A 12 -2.004 17.255 -3.874 1.00 0.00 C ATOM 151 O PHE A 12 -2.432 16.196 -4.332 1.00 0.00 O ATOM 152 CB PHE A 12 -3.131 19.178 -5.036 1.00 0.00 C ATOM 153 CG PHE A 12 -4.567 19.256 -5.457 1.00 0.00 C ATOM 154 CD1 PHE A 12 -5.384 20.256 -4.959 1.00 0.00 C ATOM 155 CD2 PHE A 12 -5.102 18.333 -6.338 1.00 0.00 C ATOM 156 CE1 PHE A 12 -6.711 20.335 -5.335 1.00 0.00 C ATOM 157 CE2 PHE A 12 -6.429 18.405 -6.718 1.00 0.00 C ATOM 158 CZ PHE A 12 -7.235 19.408 -6.216 1.00 0.00 C ATOM 0 H PHE A 12 -2.158 20.318 -3.089 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.895 18.099 -3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.726 20.187 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.561 18.660 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.980 20.982 -4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.475 17.547 -6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.338 21.121 -4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.835 17.678 -7.406 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.272 19.468 -6.511 1.00 0.00 H new ATOM 168 N HIS A 13 -0.740 17.416 -3.478 1.00 0.00 N ATOM 169 CA HIS A 13 0.242 16.350 -3.552 1.00 0.00 C ATOM 170 C HIS A 13 0.147 15.458 -2.311 1.00 0.00 C ATOM 171 O HIS A 13 0.054 14.231 -2.418 1.00 0.00 O ATOM 172 CB HIS A 13 1.638 16.964 -3.653 1.00 0.00 C ATOM 173 CG HIS A 13 2.294 16.782 -4.983 1.00 0.00 C ATOM 174 ND1 HIS A 13 2.610 17.840 -5.802 1.00 0.00 N ATOM 175 CD2 HIS A 13 2.701 15.668 -5.633 1.00 0.00 C ATOM 176 CE1 HIS A 13 3.184 17.389 -6.902 1.00 0.00 C ATOM 177 NE2 HIS A 13 3.254 16.071 -6.827 1.00 0.00 N ATOM 0 H HIS A 13 -0.376 18.290 -3.099 1.00 0.00 H new ATOM 0 HA HIS A 13 0.049 15.737 -4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.570 18.030 -3.437 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.273 16.523 -2.884 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.429 18.822 -5.592 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.609 14.651 -5.281 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.537 17.994 -7.724 1.00 0.00 H new ATOM 186 N LEU A 14 0.162 16.086 -1.130 1.00 0.00 N ATOM 187 CA LEU A 14 0.068 15.351 0.131 1.00 0.00 C ATOM 188 C LEU A 14 -1.287 14.651 0.255 1.00 0.00 C ATOM 189 O LEU A 14 -1.346 13.464 0.592 1.00 0.00 O ATOM 190 CB LEU A 14 0.317 16.276 1.333 1.00 0.00 C ATOM 191 CG LEU A 14 -0.576 17.513 1.420 1.00 0.00 C ATOM 192 CD1 LEU A 14 -1.801 17.237 2.277 1.00 0.00 C ATOM 193 CD2 LEU A 14 0.206 18.691 1.980 1.00 0.00 C ATOM 0 H LEU A 14 0.238 17.098 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 14 0.846 14.588 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.190 15.695 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.356 16.603 1.306 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.913 17.762 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.421 18.132 2.324 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.375 16.420 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.486 16.960 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.443 19.565 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.570 18.445 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.052 18.909 1.328 1.00 0.00 H new ATOM 205 N LEU A 15 -2.375 15.373 -0.039 1.00 0.00 N ATOM 206 CA LEU A 15 -3.714 14.784 0.031 1.00 0.00 C ATOM 207 C LEU A 15 -3.846 13.658 -0.988 1.00 0.00 C ATOM 208 O LEU A 15 -4.392 12.596 -0.687 1.00 0.00 O ATOM 209 CB LEU A 15 -4.807 15.849 -0.168 1.00 0.00 C ATOM 210 CG LEU A 15 -5.023 16.333 -1.607 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.920 15.373 -2.372 1.00 0.00 C ATOM 212 CD2 LEU A 15 -5.624 17.729 -1.610 1.00 0.00 C ATOM 0 H LEU A 15 -2.355 16.352 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.853 14.365 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.749 15.447 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.562 16.712 0.451 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.054 16.366 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.059 15.737 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.457 14.386 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.888 15.306 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.772 18.059 -2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.583 17.713 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.949 18.417 -1.101 1.00 0.00 H new ATOM 224 N ARG A 16 -3.300 13.880 -2.179 1.00 0.00 N ATOM 225 CA ARG A 16 -3.312 12.864 -3.223 1.00 0.00 C ATOM 226 C ARG A 16 -2.581 11.631 -2.710 1.00 0.00 C ATOM 227 O ARG A 16 -3.107 10.521 -2.738 1.00 0.00 O ATOM 228 CB ARG A 16 -2.634 13.391 -4.489 1.00 0.00 C ATOM 229 CG ARG A 16 -2.019 12.302 -5.353 1.00 0.00 C ATOM 230 CD ARG A 16 -1.932 12.718 -6.812 1.00 0.00 C ATOM 231 NE ARG A 16 -1.266 14.016 -6.972 1.00 0.00 N ATOM 232 CZ ARG A 16 -0.609 14.394 -8.059 1.00 0.00 C ATOM 233 NH1 ARG A 16 -0.534 13.600 -9.108 1.00 0.00 N ATOM 234 NH2 ARG A 16 -0.027 15.579 -8.091 1.00 0.00 N ATOM 0 H ARG A 16 -2.845 14.753 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.342 12.608 -3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.366 13.941 -5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.856 14.100 -4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.022 12.065 -4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.614 11.393 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.388 11.959 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.935 12.770 -7.235 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.312 14.672 -6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.984 12.685 -9.088 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.026 13.901 -9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.085 16.198 -7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.480 15.876 -8.925 1.00 0.00 H new ATOM 248 N THR A 17 -1.366 11.853 -2.219 1.00 0.00 N ATOM 249 CA THR A 17 -0.538 10.785 -1.667 1.00 0.00 C ATOM 250 C THR A 17 -1.290 10.008 -0.584 1.00 0.00 C ATOM 251 O THR A 17 -1.243 8.778 -0.554 1.00 0.00 O ATOM 252 CB THR A 17 0.761 11.361 -1.090 1.00 0.00 C ATOM 253 OG1 THR A 17 1.416 12.185 -2.040 1.00 0.00 O ATOM 254 CG2 THR A 17 1.750 10.302 -0.663 1.00 0.00 C ATOM 0 H THR A 17 -0.928 12.774 -2.192 1.00 0.00 H new ATOM 0 HA THR A 17 -0.295 10.097 -2.477 1.00 0.00 H new ATOM 0 HB THR A 17 0.451 11.930 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.213 13.125 -1.852 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.645 10.780 -0.265 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.301 9.674 0.106 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.018 9.687 -1.522 1.00 0.00 H new ATOM 262 N LEU A 18 -1.989 10.728 0.302 1.00 0.00 N ATOM 263 CA LEU A 18 -2.747 10.087 1.380 1.00 0.00 C ATOM 264 C LEU A 18 -3.829 9.145 0.830 1.00 0.00 C ATOM 265 O LEU A 18 -4.105 8.100 1.422 1.00 0.00 O ATOM 266 CB LEU A 18 -3.356 11.149 2.315 1.00 0.00 C ATOM 267 CG LEU A 18 -4.840 11.467 2.101 1.00 0.00 C ATOM 268 CD1 LEU A 18 -5.714 10.503 2.886 1.00 0.00 C ATOM 269 CD2 LEU A 18 -5.139 12.903 2.508 1.00 0.00 C ATOM 0 H LEU A 18 -2.045 11.746 0.293 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.054 9.476 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.222 10.817 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.788 12.072 2.201 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.066 11.350 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.764 10.746 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.521 9.483 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.485 10.587 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.197 13.113 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.895 13.041 3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.540 13.585 1.904 1.00 0.00 H new ATOM 281 N LEU A 19 -4.434 9.514 -0.302 1.00 0.00 N ATOM 282 CA LEU A 19 -5.480 8.682 -0.909 1.00 0.00 C ATOM 283 C LEU A 19 -4.910 7.724 -1.958 1.00 0.00 C ATOM 284 O LEU A 19 -5.344 6.574 -2.055 1.00 0.00 O ATOM 285 CB LEU A 19 -6.595 9.550 -1.518 1.00 0.00 C ATOM 286 CG LEU A 19 -6.144 10.660 -2.471 1.00 0.00 C ATOM 287 CD1 LEU A 19 -6.118 10.160 -3.906 1.00 0.00 C ATOM 288 CD2 LEU A 19 -7.058 11.868 -2.346 1.00 0.00 C ATOM 0 H LEU A 19 -4.223 10.371 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.911 8.078 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.283 8.897 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.158 10.006 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.133 10.958 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.795 10.965 -4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.424 9.323 -3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.117 9.832 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.725 12.649 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.079 11.579 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.027 12.244 -1.323 1.00 0.00 H new ATOM 315 N LEU A 21 -2.020 6.315 -2.060 1.00 0.00 N ATOM 316 CA LEU A 21 -1.377 5.216 -1.341 1.00 0.00 C ATOM 317 C LEU A 21 -2.422 4.180 -0.925 1.00 0.00 C ATOM 318 O LEU A 21 -2.200 2.973 -1.058 1.00 0.00 O ATOM 319 CB LEU A 21 -0.596 5.741 -0.122 1.00 0.00 C ATOM 320 CG LEU A 21 -1.394 5.881 1.179 1.00 0.00 C ATOM 321 CD1 LEU A 21 -1.354 4.586 1.973 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.850 7.029 2.015 1.00 0.00 C ATOM 0 HA LEU A 21 -0.661 4.733 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.245 5.072 0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.179 6.716 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.431 6.097 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.926 4.705 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.787 3.781 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.320 4.341 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.428 7.115 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.195 6.838 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.927 7.958 1.451 1.00 0.00 H new ATOM 334 N ALA A 22 -3.579 4.658 -0.453 1.00 0.00 N ATOM 335 CA ALA A 22 -4.665 3.771 -0.058 1.00 0.00 C ATOM 336 C ALA A 22 -5.142 2.971 -1.264 1.00 0.00 C ATOM 337 O ALA A 22 -5.304 1.749 -1.195 1.00 0.00 O ATOM 338 CB ALA A 22 -5.812 4.566 0.556 1.00 0.00 C ATOM 0 H ALA A 22 -3.781 5.651 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.298 3.077 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.613 3.885 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.454 5.099 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.190 5.282 -0.174 1.00 0.00 H new ATOM 344 N ARG A 23 -5.326 3.668 -2.382 1.00 0.00 N ATOM 345 CA ARG A 23 -5.746 3.028 -3.628 1.00 0.00 C ATOM 346 C ARG A 23 -4.691 2.015 -4.068 1.00 0.00 C ATOM 347 O ARG A 23 -5.011 0.862 -4.367 1.00 0.00 O ATOM 348 CB ARG A 23 -5.977 4.071 -4.733 1.00 0.00 C ATOM 349 CG ARG A 23 -6.733 5.309 -4.270 1.00 0.00 C ATOM 350 CD ARG A 23 -8.080 5.450 -4.963 1.00 0.00 C ATOM 351 NE ARG A 23 -9.082 6.044 -4.072 1.00 0.00 N ATOM 352 CZ ARG A 23 -10.194 6.647 -4.480 1.00 0.00 C ATOM 353 NH1 ARG A 23 -10.479 6.742 -5.764 1.00 0.00 N ATOM 354 NH2 ARG A 23 -11.026 7.153 -3.592 1.00 0.00 N ATOM 0 H ARG A 23 -5.191 4.677 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.689 2.512 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.012 4.377 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.530 3.605 -5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.884 5.259 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.130 6.196 -4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.970 6.070 -5.853 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.423 4.471 -5.297 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.914 5.991 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.843 6.350 -6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.336 7.207 -6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.815 7.081 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.881 7.617 -3.900 1.00 0.00 H new ATOM 368 N THR A 24 -3.425 2.447 -4.079 1.00 0.00 N ATOM 369 CA THR A 24 -2.315 1.568 -4.456 1.00 0.00 C ATOM 370 C THR A 24 -2.262 0.357 -3.523 1.00 0.00 C ATOM 371 O THR A 24 -2.166 -0.783 -3.983 1.00 0.00 O ATOM 372 CB THR A 24 -0.981 2.338 -4.452 1.00 0.00 C ATOM 373 OG1 THR A 24 -0.282 2.123 -5.664 1.00 0.00 O ATOM 374 CG2 THR A 24 -0.040 1.968 -3.322 1.00 0.00 C ATOM 0 H THR A 24 -3.145 3.396 -3.832 1.00 0.00 H new ATOM 0 HA THR A 24 -2.482 1.208 -5.471 1.00 0.00 H new ATOM 0 HB THR A 24 -1.270 3.381 -4.320 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.562 2.620 -5.647 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.872 2.560 -3.400 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.523 2.169 -2.366 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.208 0.909 -3.387 1.00 0.00 H new ATOM 382 N GLN A 25 -2.358 0.606 -2.212 1.00 0.00 N ATOM 383 CA GLN A 25 -2.357 -0.470 -1.230 1.00 0.00 C ATOM 384 C GLN A 25 -3.548 -1.391 -1.477 1.00 0.00 C ATOM 385 O GLN A 25 -3.399 -2.613 -1.540 1.00 0.00 O ATOM 386 CB GLN A 25 -2.406 0.101 0.193 1.00 0.00 C ATOM 387 CG GLN A 25 -1.364 -0.493 1.128 1.00 0.00 C ATOM 388 CD GLN A 25 0.040 0.013 0.845 1.00 0.00 C ATOM 389 OE1 GLN A 25 0.251 1.198 0.601 1.00 0.00 O ATOM 390 NE2 GLN A 25 1.014 -0.885 0.877 1.00 0.00 N ATOM 0 H GLN A 25 -2.437 1.542 -1.813 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.436 -1.044 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.265 1.181 0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.397 -0.074 0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.630 -0.255 2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.379 -1.579 1.037 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.801 -1.861 1.083 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.976 -0.600 0.695 1.00 0.00 H new ATOM 399 N SER A 26 -4.724 -0.789 -1.649 1.00 0.00 N ATOM 400 CA SER A 26 -5.946 -1.544 -1.924 1.00 0.00 C ATOM 401 C SER A 26 -5.791 -2.360 -3.207 1.00 0.00 C ATOM 402 O SER A 26 -6.109 -3.549 -3.232 1.00 0.00 O ATOM 403 CB SER A 26 -7.142 -0.598 -2.045 1.00 0.00 C ATOM 404 OG SER A 26 -8.367 -1.297 -1.883 1.00 0.00 O ATOM 0 H SER A 26 -4.857 0.221 -1.603 1.00 0.00 H new ATOM 0 HA SER A 26 -6.122 -2.227 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.066 0.187 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.125 -0.109 -3.019 1.00 0.00 H new ATOM 0 HG SER A 26 -9.115 -0.669 -1.963 1.00 0.00 H new ATOM 410 N GLN A 27 -5.287 -1.710 -4.266 1.00 0.00 N ATOM 411 CA GLN A 27 -5.070 -2.356 -5.562 1.00 0.00 C ATOM 412 C GLN A 27 -4.538 -3.780 -5.411 1.00 0.00 C ATOM 413 O GLN A 27 -5.034 -4.707 -6.057 1.00 0.00 O ATOM 414 CB GLN A 27 -4.098 -1.523 -6.407 1.00 0.00 C ATOM 415 CG GLN A 27 -3.910 -2.046 -7.827 1.00 0.00 C ATOM 416 CD GLN A 27 -5.219 -2.191 -8.577 1.00 0.00 C ATOM 417 OE1 GLN A 27 -5.575 -1.346 -9.392 1.00 0.00 O ATOM 418 NE2 GLN A 27 -5.944 -3.266 -8.307 1.00 0.00 N ATOM 0 H GLN A 27 -5.020 -0.726 -4.245 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.036 -2.416 -6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.460 -0.496 -6.453 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.129 -1.497 -5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.255 -1.368 -8.375 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.409 -3.013 -7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.613 -3.946 -7.622 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.833 -3.414 -8.784 1.00 0.00 H new ATOM 427 N ARG A 28 -3.534 -3.947 -4.557 1.00 0.00 N ATOM 428 CA ARG A 28 -2.944 -5.264 -4.323 1.00 0.00 C ATOM 429 C ARG A 28 -3.679 -6.012 -3.213 1.00 0.00 C ATOM 430 O ARG A 28 -3.928 -7.217 -3.326 1.00 0.00 O ATOM 431 CB ARG A 28 -1.453 -5.151 -3.990 1.00 0.00 C ATOM 432 CG ARG A 28 -1.137 -4.138 -2.905 1.00 0.00 C ATOM 433 CD ARG A 28 0.262 -4.336 -2.344 1.00 0.00 C ATOM 434 NE ARG A 28 1.282 -4.310 -3.399 1.00 0.00 N ATOM 435 CZ ARG A 28 2.381 -3.564 -3.375 1.00 0.00 C ATOM 436 NH1 ARG A 28 2.645 -2.780 -2.346 1.00 0.00 N ATOM 437 NH2 ARG A 28 3.226 -3.612 -4.385 1.00 0.00 N ATOM 0 H ARG A 28 -3.112 -3.192 -4.017 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.048 -5.835 -5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.086 -6.129 -3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.909 -4.880 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.228 -3.130 -3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.868 -4.225 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.475 -3.555 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.310 -5.288 -1.816 1.00 0.00 H new ATOM 0 HE ARG A 28 1.136 -4.909 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.001 -2.742 -1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.493 -2.213 -2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.035 -4.220 -5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.071 -3.041 -4.371 1.00 0.00 H new ATOM 451 N GLU A 29 -4.031 -5.297 -2.147 1.00 0.00 N ATOM 452 CA GLU A 29 -4.735 -5.890 -1.027 1.00 0.00 C ATOM 453 C GLU A 29 -6.016 -6.584 -1.475 1.00 0.00 C ATOM 454 O GLU A 29 -6.282 -7.712 -1.070 1.00 0.00 O ATOM 455 CB GLU A 29 -5.041 -4.818 0.009 1.00 0.00 C ATOM 456 CG GLU A 29 -4.527 -5.161 1.393 1.00 0.00 C ATOM 457 CD GLU A 29 -5.360 -6.219 2.084 1.00 0.00 C ATOM 458 OE1 GLU A 29 -6.371 -5.854 2.719 1.00 0.00 O ATOM 459 OE2 GLU A 29 -5.003 -7.411 1.988 1.00 0.00 O ATOM 0 H GLU A 29 -3.836 -4.301 -2.041 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.093 -6.650 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.599 -3.875 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.119 -4.665 0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.497 -5.509 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.514 -4.259 2.004 1.00 0.00 H new ATOM 466 N ARG A 30 -6.799 -5.919 -2.320 1.00 0.00 N ATOM 467 CA ARG A 30 -8.047 -6.502 -2.819 1.00 0.00 C ATOM 468 C ARG A 30 -7.811 -7.886 -3.429 1.00 0.00 C ATOM 469 O ARG A 30 -8.659 -8.776 -3.320 1.00 0.00 O ATOM 470 CB ARG A 30 -8.718 -5.583 -3.840 1.00 0.00 C ATOM 471 CG ARG A 30 -7.850 -5.275 -5.043 1.00 0.00 C ATOM 472 CD ARG A 30 -8.681 -4.827 -6.235 1.00 0.00 C ATOM 473 NE ARG A 30 -9.286 -5.969 -6.928 1.00 0.00 N ATOM 474 CZ ARG A 30 -10.251 -5.877 -7.834 1.00 0.00 C ATOM 475 NH1 ARG A 30 -10.722 -4.700 -8.201 1.00 0.00 N ATOM 476 NH2 ARG A 30 -10.745 -6.976 -8.374 1.00 0.00 N ATOM 0 H ARG A 30 -6.596 -4.984 -2.673 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.715 -6.614 -1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.644 -6.047 -4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.991 -4.648 -3.351 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.134 -4.495 -4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.274 -6.160 -5.313 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.464 -4.147 -5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.052 -4.270 -6.930 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.940 -6.900 -6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.344 -3.848 -7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.464 -4.643 -8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.385 -7.888 -8.094 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.487 -6.913 -9.071 1.00 0.00 H new ATOM 490 N ALA A 31 -6.646 -8.064 -4.056 1.00 0.00 N ATOM 491 CA ALA A 31 -6.288 -9.340 -4.665 1.00 0.00 C ATOM 492 C ALA A 31 -5.781 -10.319 -3.609 1.00 0.00 C ATOM 493 O ALA A 31 -6.095 -11.510 -3.652 1.00 0.00 O ATOM 494 CB ALA A 31 -5.245 -9.132 -5.755 1.00 0.00 C ATOM 0 H ALA A 31 -5.936 -7.338 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.181 -9.768 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.988 -10.093 -6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.648 -8.472 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.352 -8.682 -5.322 1.00 0.00 H new ATOM 500 N GLU A 32 -5.010 -9.804 -2.653 1.00 0.00 N ATOM 501 CA GLU A 32 -4.472 -10.626 -1.573 1.00 0.00 C ATOM 502 C GLU A 32 -5.558 -10.971 -0.568 1.00 0.00 C ATOM 503 O GLU A 32 -5.801 -12.145 -0.294 1.00 0.00 O ATOM 504 CB GLU A 32 -3.321 -9.906 -0.867 1.00 0.00 C ATOM 505 CG GLU A 32 -2.003 -10.675 -0.897 1.00 0.00 C ATOM 506 CD GLU A 32 -1.618 -11.147 -2.285 1.00 0.00 C ATOM 507 OE1 GLU A 32 -2.116 -12.210 -2.710 1.00 0.00 O ATOM 508 OE2 GLU A 32 -0.816 -10.458 -2.944 1.00 0.00 O ATOM 0 H GLU A 32 -4.744 -8.820 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.093 -11.549 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.173 -8.932 -1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.601 -9.723 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.210 -10.039 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.078 -11.538 -0.235 1.00 0.00 H new ATOM 515 N GLN A 33 -6.227 -9.948 -0.039 1.00 0.00 N ATOM 516 CA GLN A 33 -7.307 -10.163 0.925 1.00 0.00 C ATOM 517 C GLN A 33 -8.287 -11.212 0.401 1.00 0.00 C ATOM 518 O GLN A 33 -8.834 -12.006 1.171 1.00 0.00 O ATOM 519 CB GLN A 33 -8.040 -8.849 1.227 1.00 0.00 C ATOM 520 CG GLN A 33 -7.980 -8.445 2.696 1.00 0.00 C ATOM 521 CD GLN A 33 -8.666 -9.440 3.614 1.00 0.00 C ATOM 522 OE1 GLN A 33 -8.068 -10.424 4.041 1.00 0.00 O ATOM 523 NE2 GLN A 33 -9.928 -9.188 3.928 1.00 0.00 N ATOM 0 H GLN A 33 -6.043 -8.969 -0.259 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.868 -10.528 1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.607 -8.053 0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.083 -8.947 0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.937 -8.341 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.445 -7.467 2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.391 -8.360 3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.437 -9.822 4.544 1.00 0.00 H new ATOM 532 N ASN A 34 -8.482 -11.228 -0.922 1.00 0.00 N ATOM 533 CA ASN A 34 -9.367 -12.190 -1.558 1.00 0.00 C ATOM 534 C ASN A 34 -8.907 -13.623 -1.285 1.00 0.00 C ATOM 535 O ASN A 34 -9.732 -14.502 -1.034 1.00 0.00 O ATOM 536 CB ASN A 34 -9.420 -11.921 -3.062 1.00 0.00 C ATOM 537 CG ASN A 34 -10.798 -11.512 -3.534 1.00 0.00 C ATOM 538 OD1 ASN A 34 -11.657 -12.352 -3.785 1.00 0.00 O ATOM 539 ND2 ASN A 34 -11.016 -10.212 -3.661 1.00 0.00 N ATOM 0 H ASN A 34 -8.033 -10.580 -1.569 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.366 -12.077 -1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.707 -11.135 -3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.108 -12.817 -3.598 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.925 -9.876 -3.978 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.275 -9.547 -3.442 1.00 0.00 H new ATOM 546 N ARG A 35 -7.592 -13.853 -1.315 1.00 0.00 N ATOM 547 CA ARG A 35 -7.056 -15.186 -1.041 1.00 0.00 C ATOM 548 C ARG A 35 -6.700 -15.341 0.437 1.00 0.00 C ATOM 549 O ARG A 35 -6.762 -16.441 0.983 1.00 0.00 O ATOM 550 CB ARG A 35 -5.844 -15.495 -1.924 1.00 0.00 C ATOM 551 CG ARG A 35 -4.680 -14.542 -1.739 1.00 0.00 C ATOM 552 CD ARG A 35 -3.437 -15.034 -2.470 1.00 0.00 C ATOM 553 NE ARG A 35 -3.724 -15.359 -3.874 1.00 0.00 N ATOM 554 CZ ARG A 35 -3.652 -14.493 -4.882 1.00 0.00 C ATOM 555 NH1 ARG A 35 -3.214 -13.262 -4.695 1.00 0.00 N ATOM 556 NH2 ARG A 35 -3.994 -14.877 -6.096 1.00 0.00 N ATOM 0 H ARG A 35 -6.889 -13.144 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.837 -15.907 -1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.505 -16.509 -1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.155 -15.473 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.954 -13.554 -2.109 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.461 -14.435 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.662 -14.269 -2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.044 -15.917 -1.965 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.998 -16.317 -4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.923 -12.960 -3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.166 -12.613 -5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.311 -15.833 -6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.941 -14.218 -6.873 1.00 0.00 H new ATOM 570 N ILE A 36 -6.351 -14.229 1.082 1.00 0.00 N ATOM 571 CA ILE A 36 -6.005 -14.235 2.507 1.00 0.00 C ATOM 572 C ILE A 36 -7.173 -14.759 3.344 1.00 0.00 C ATOM 573 O ILE A 36 -6.984 -15.523 4.291 1.00 0.00 O ATOM 574 CB ILE A 36 -5.611 -12.821 3.002 1.00 0.00 C ATOM 575 CG1 ILE A 36 -4.329 -12.339 2.309 1.00 0.00 C ATOM 576 CG2 ILE A 36 -5.435 -12.807 4.516 1.00 0.00 C ATOM 577 CD1 ILE A 36 -3.073 -13.044 2.777 1.00 0.00 C ATOM 0 H ILE A 36 -6.300 -13.310 0.642 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.147 -14.896 2.628 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.419 -12.137 2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.434 -12.482 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.217 -11.268 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.158 -11.804 4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.370 -13.098 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.650 -13.509 4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.211 -12.647 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.941 -12.880 3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.161 -14.113 2.582 1.00 0.00 H new ATOM 589 N ILE A 37 -8.381 -14.345 2.970 1.00 0.00 N ATOM 590 CA ILE A 37 -9.602 -14.763 3.661 1.00 0.00 C ATOM 591 C ILE A 37 -9.899 -16.251 3.430 1.00 0.00 C ATOM 592 O ILE A 37 -10.419 -16.934 4.319 1.00 0.00 O ATOM 593 CB ILE A 37 -10.813 -13.912 3.198 1.00 0.00 C ATOM 594 CG1 ILE A 37 -10.732 -12.504 3.794 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.131 -14.576 3.581 1.00 0.00 C ATOM 596 CD1 ILE A 37 -10.882 -12.469 5.301 1.00 0.00 C ATOM 0 H ILE A 37 -8.543 -13.714 2.185 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.440 -14.606 4.727 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.778 -13.837 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.774 -12.059 3.523 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.509 -11.885 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.962 -13.957 3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.195 -15.557 3.110 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.180 -14.690 4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -10.814 -11.439 5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.851 -12.883 5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.089 -13.060 5.759 1.00 0.00 H new ATOM 608 N PHE A 38 -9.568 -16.741 2.230 1.00 0.00 N ATOM 609 CA PHE A 38 -9.795 -18.140 1.849 1.00 0.00 C ATOM 610 C PHE A 38 -9.322 -19.130 2.919 1.00 0.00 C ATOM 611 O PHE A 38 -9.967 -20.154 3.149 1.00 0.00 O ATOM 612 CB PHE A 38 -9.095 -18.434 0.519 1.00 0.00 C ATOM 613 CG PHE A 38 -10.032 -18.853 -0.577 1.00 0.00 C ATOM 614 CD1 PHE A 38 -10.527 -20.146 -0.628 1.00 0.00 C ATOM 615 CD2 PHE A 38 -10.416 -17.953 -1.557 1.00 0.00 C ATOM 616 CE1 PHE A 38 -11.388 -20.533 -1.637 1.00 0.00 C ATOM 617 CE2 PHE A 38 -11.277 -18.335 -2.569 1.00 0.00 C ATOM 618 CZ PHE A 38 -11.764 -19.627 -2.610 1.00 0.00 C ATOM 0 H PHE A 38 -9.136 -16.180 1.496 1.00 0.00 H new ATOM 0 HA PHE A 38 -10.872 -18.275 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.552 -17.544 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.356 -19.220 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.237 -20.859 0.129 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.039 -16.941 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.767 -21.544 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.569 -17.623 -3.327 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.436 -19.928 -3.400 1.00 0.00 H new