USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 776 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 THR OG1 : rot -38:sc= 0.72 USER MOD Single : A 7 ASN : amide:sc= 0.565 K(o=0.57,f=-9.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.6!) USER MOD Single : A 18 THR OG1 : rot 47:sc= 0.43 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= 1.38 (180deg=1.05) USER MOD Single : A 23 SER OG : rot 180:sc= 0.336 USER MOD Single : A 24 SER OG : rot 180:sc= 0.00206 USER MOD Single : A 30 THR OG1 : rot -56:sc= -1! USER MOD Single : A 42 GLN : amide:sc= -0.125! X(o=-0.13!,f=-0.056) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.136 USER MOD Single : A 57 LYS NZ :NH3+ 133:sc= 0.169 (180deg=-0.54) USER MOD Single : A 58 MET CE :methyl 174:sc= -2.97! (180deg=-3.01) USER MOD Single : A 60 THR OG1 : rot 25:sc= 0.919 USER MOD Single : A 66 SER OG : rot 8:sc= -1.14! USER MOD Single : A 68 ASN : amide:sc= -0.801 K(o=-0.8,f=-2.8!) USER MOD Single : A 70 THR OG1 : rot 63:sc= 0.166 USER MOD Single : A 71 CYS SG : rot -170:sc= 0.946 USER MOD Single : A 75 HIS : no HD1:sc= -3.63! K(o=-3.6!,f=-1.7) USER MOD Single : A 76 THR OG1 : rot -152:sc= -0.176 USER MOD Single : A 77 HIS : no HD1:sc= -3.93 K(o=-3.9,f=-2.2) USER MOD Single : A 79 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.32) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.264 K(o=-0.26,f=-0.85) USER MOD Single : A 86 SER OG : rot 85:sc= 1.25 USER MOD Single : A 92 SER OG : rot 176:sc= -3.04! USER MOD Single : A 98 CYS SG : rot 127:sc= -2.75! USER MOD Single : A 101 TYR OH : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 2 94.291 -6.464 -11.144 1.00 0.00 N ATOM 67 CA PRO A 2 93.339 -7.156 -10.309 1.00 0.00 C ATOM 68 C PRO A 2 91.920 -6.996 -10.831 1.00 0.00 C ATOM 69 O PRO A 2 91.703 -6.560 -11.976 1.00 0.00 O ATOM 70 CB PRO A 2 93.495 -6.388 -8.995 1.00 0.00 C ATOM 71 CG PRO A 2 93.727 -4.972 -9.416 1.00 0.00 C ATOM 72 CD PRO A 2 94.390 -5.036 -10.766 1.00 0.00 C ATOM 0 HA PRO A 2 93.509 -8.231 -10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 2 92.603 -6.477 -8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 2 94.331 -6.770 -8.408 1.00 0.00 H new ATOM 0 HG2 PRO A 2 92.787 -4.423 -9.470 1.00 0.00 H new ATOM 0 HG3 PRO A 2 94.359 -4.451 -8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 2 93.886 -4.395 -11.489 1.00 0.00 H new ATOM 0 HD3 PRO A 2 95.428 -4.707 -10.717 1.00 0.00 H new ATOM 80 N PHE A 3 90.974 -7.345 -10.000 1.00 0.00 N ATOM 81 CA PHE A 3 89.613 -7.170 -10.280 1.00 0.00 C ATOM 82 C PHE A 3 89.267 -5.783 -9.866 1.00 0.00 C ATOM 83 O PHE A 3 89.124 -5.500 -8.694 1.00 0.00 O ATOM 84 CB PHE A 3 88.833 -8.181 -9.459 1.00 0.00 C ATOM 85 CG PHE A 3 87.361 -7.984 -9.460 1.00 0.00 C ATOM 86 CD1 PHE A 3 86.593 -8.414 -10.510 1.00 0.00 C ATOM 87 CD2 PHE A 3 86.754 -7.367 -8.386 1.00 0.00 C ATOM 88 CE1 PHE A 3 85.226 -8.239 -10.498 1.00 0.00 C ATOM 89 CE2 PHE A 3 85.391 -7.184 -8.363 1.00 0.00 C ATOM 90 CZ PHE A 3 84.624 -7.624 -9.423 1.00 0.00 C ATOM 0 H PHE A 3 91.156 -7.769 -9.090 1.00 0.00 H new ATOM 0 HA PHE A 3 89.380 -7.316 -11.335 1.00 0.00 H new ATOM 0 HB2 PHE A 3 89.052 -9.180 -9.836 1.00 0.00 H new ATOM 0 HB3 PHE A 3 89.189 -8.144 -8.430 1.00 0.00 H new ATOM 0 HD1 PHE A 3 87.063 -8.895 -11.355 1.00 0.00 H new ATOM 0 HD2 PHE A 3 87.354 -7.025 -7.556 1.00 0.00 H new ATOM 0 HE1 PHE A 3 84.629 -8.583 -11.329 1.00 0.00 H new ATOM 0 HE2 PHE A 3 84.923 -6.698 -7.520 1.00 0.00 H new ATOM 0 HZ PHE A 3 83.553 -7.486 -9.409 1.00 0.00 H new ATOM 100 N PHE A 4 89.138 -4.941 -10.804 1.00 0.00 N ATOM 101 CA PHE A 4 88.879 -3.572 -10.543 1.00 0.00 C ATOM 102 C PHE A 4 87.531 -3.228 -11.101 1.00 0.00 C ATOM 103 O PHE A 4 87.255 -3.475 -12.272 1.00 0.00 O ATOM 104 CB PHE A 4 89.937 -2.741 -11.221 1.00 0.00 C ATOM 105 CG PHE A 4 90.115 -1.366 -10.671 1.00 0.00 C ATOM 106 CD1 PHE A 4 89.139 -0.421 -10.761 1.00 0.00 C ATOM 107 CD2 PHE A 4 91.290 -1.033 -10.067 1.00 0.00 C ATOM 108 CE1 PHE A 4 89.353 0.837 -10.246 1.00 0.00 C ATOM 109 CE2 PHE A 4 91.496 0.215 -9.564 1.00 0.00 C ATOM 110 CZ PHE A 4 90.532 1.130 -9.655 1.00 0.00 C ATOM 0 H PHE A 4 89.208 -5.176 -11.794 1.00 0.00 H new ATOM 0 HA PHE A 4 88.894 -3.375 -9.471 1.00 0.00 H new ATOM 0 HB2 PHE A 4 90.889 -3.268 -11.153 1.00 0.00 H new ATOM 0 HB3 PHE A 4 89.691 -2.662 -12.280 1.00 0.00 H new ATOM 0 HD1 PHE A 4 88.198 -0.658 -11.236 1.00 0.00 H new ATOM 0 HD2 PHE A 4 92.072 -1.773 -9.986 1.00 0.00 H new ATOM 0 HE1 PHE A 4 88.580 1.588 -10.314 1.00 0.00 H new ATOM 0 HE2 PHE A 4 92.436 0.462 -9.094 1.00 0.00 H new ATOM 0 HZ PHE A 4 90.695 2.118 -9.251 1.00 0.00 H new ATOM 120 N THR A 5 86.697 -2.673 -10.281 1.00 0.00 N ATOM 121 CA THR A 5 85.374 -2.325 -10.717 1.00 0.00 C ATOM 122 C THR A 5 84.952 -0.966 -10.150 1.00 0.00 C ATOM 123 O THR A 5 83.780 -0.668 -9.997 1.00 0.00 O ATOM 124 CB THR A 5 84.390 -3.485 -10.404 1.00 0.00 C ATOM 125 OG1 THR A 5 83.035 -3.187 -10.752 1.00 0.00 O ATOM 126 CG2 THR A 5 84.495 -3.895 -8.959 1.00 0.00 C ATOM 0 H THR A 5 86.903 -2.450 -9.307 1.00 0.00 H new ATOM 0 HA THR A 5 85.359 -2.199 -11.800 1.00 0.00 H new ATOM 0 HB THR A 5 84.689 -4.322 -11.035 1.00 0.00 H new ATOM 0 HG1 THR A 5 82.842 -2.249 -10.543 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.798 -4.709 -8.760 1.00 0.00 H new ATOM 0 HG22 THR A 5 85.511 -4.228 -8.748 1.00 0.00 H new ATOM 0 HG23 THR A 5 84.252 -3.045 -8.321 1.00 0.00 H new ATOM 134 N ARG A 6 85.985 -0.174 -9.822 1.00 0.00 N ATOM 135 CA ARG A 6 85.938 1.271 -9.460 1.00 0.00 C ATOM 136 C ARG A 6 84.953 1.660 -8.324 1.00 0.00 C ATOM 137 O ARG A 6 84.780 2.846 -8.030 1.00 0.00 O ATOM 138 CB ARG A 6 85.676 2.061 -10.745 1.00 0.00 C ATOM 139 CG ARG A 6 86.425 1.449 -11.937 1.00 0.00 C ATOM 140 CD ARG A 6 86.274 2.222 -13.198 1.00 0.00 C ATOM 141 NE ARG A 6 86.981 1.564 -14.311 1.00 0.00 N ATOM 142 CZ ARG A 6 87.156 2.086 -15.527 1.00 0.00 C ATOM 143 NH1 ARG A 6 86.695 3.294 -15.802 1.00 0.00 N ATOM 144 NH2 ARG A 6 87.793 1.398 -16.464 1.00 0.00 N ATOM 0 H ARG A 6 86.938 -0.537 -9.798 1.00 0.00 H new ATOM 0 HA ARG A 6 86.904 1.524 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 6 84.606 2.076 -10.954 1.00 0.00 H new ATOM 0 HB3 ARG A 6 85.989 3.096 -10.608 1.00 0.00 H new ATOM 0 HG2 ARG A 6 87.484 1.376 -11.691 1.00 0.00 H new ATOM 0 HG3 ARG A 6 86.065 0.433 -12.099 1.00 0.00 H new ATOM 0 HD2 ARG A 6 85.217 2.321 -13.443 1.00 0.00 H new ATOM 0 HD3 ARG A 6 86.665 3.230 -13.060 1.00 0.00 H new ATOM 0 HE ARG A 6 87.367 0.636 -14.138 1.00 0.00 H new ATOM 0 HH11 ARG A 6 86.205 3.828 -15.085 1.00 0.00 H new ATOM 0 HH12 ARG A 6 86.829 3.692 -16.732 1.00 0.00 H new ATOM 0 HH21 ARG A 6 88.152 0.466 -16.257 1.00 0.00 H new ATOM 0 HH22 ARG A 6 87.924 1.801 -17.392 1.00 0.00 H new ATOM 158 N ASN A 7 84.320 0.695 -7.721 1.00 0.00 N ATOM 159 CA ASN A 7 83.430 0.932 -6.608 1.00 0.00 C ATOM 160 C ASN A 7 83.734 -0.082 -5.529 1.00 0.00 C ATOM 161 O ASN A 7 83.711 -1.297 -5.775 1.00 0.00 O ATOM 162 CB ASN A 7 81.961 0.805 -7.056 1.00 0.00 C ATOM 163 CG ASN A 7 80.930 1.192 -5.974 1.00 0.00 C ATOM 164 OD1 ASN A 7 81.178 1.097 -4.784 1.00 0.00 O ATOM 165 ND2 ASN A 7 79.758 1.578 -6.389 1.00 0.00 N ATOM 0 H ASN A 7 84.404 -0.287 -7.985 1.00 0.00 H new ATOM 0 HA ASN A 7 83.580 1.942 -6.226 1.00 0.00 H new ATOM 0 HB2 ASN A 7 81.805 1.435 -7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 7 81.776 -0.223 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 7 79.028 1.807 -5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 7 79.570 1.651 -7.389 1.00 0.00 H new ATOM 172 N PRO A 8 84.059 0.416 -4.323 1.00 0.00 N ATOM 173 CA PRO A 8 84.332 -0.413 -3.147 1.00 0.00 C ATOM 174 C PRO A 8 83.188 -1.386 -2.833 1.00 0.00 C ATOM 175 O PRO A 8 83.420 -2.488 -2.380 1.00 0.00 O ATOM 176 CB PRO A 8 84.500 0.582 -1.993 1.00 0.00 C ATOM 177 CG PRO A 8 84.345 1.960 -2.569 1.00 0.00 C ATOM 178 CD PRO A 8 84.216 1.856 -4.044 1.00 0.00 C ATOM 0 HA PRO A 8 85.212 -1.035 -3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 8 83.754 0.403 -1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 8 85.478 0.468 -1.526 1.00 0.00 H new ATOM 0 HG2 PRO A 8 83.466 2.447 -2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 8 85.206 2.576 -2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.357 2.422 -4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 8 85.096 2.260 -4.545 1.00 0.00 H new ATOM 186 N SER A 9 81.969 -0.984 -3.139 1.00 0.00 N ATOM 187 CA SER A 9 80.796 -1.804 -2.891 1.00 0.00 C ATOM 188 C SER A 9 80.765 -2.999 -3.866 1.00 0.00 C ATOM 189 O SER A 9 80.237 -4.072 -3.553 1.00 0.00 O ATOM 190 CB SER A 9 79.520 -0.939 -3.042 1.00 0.00 C ATOM 191 OG SER A 9 78.341 -1.671 -2.732 1.00 0.00 O ATOM 0 H SER A 9 81.763 -0.081 -3.566 1.00 0.00 H new ATOM 0 HA SER A 9 80.837 -2.197 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 9 79.591 -0.071 -2.387 1.00 0.00 H new ATOM 0 HB3 SER A 9 79.455 -0.563 -4.063 1.00 0.00 H new ATOM 0 HG SER A 9 77.558 -1.091 -2.838 1.00 0.00 H new ATOM 197 N GLU A 10 81.377 -2.819 -5.019 1.00 0.00 N ATOM 198 CA GLU A 10 81.372 -3.822 -6.064 1.00 0.00 C ATOM 199 C GLU A 10 82.602 -4.720 -5.961 1.00 0.00 C ATOM 200 O GLU A 10 82.672 -5.787 -6.579 1.00 0.00 O ATOM 201 CB GLU A 10 81.343 -3.129 -7.413 1.00 0.00 C ATOM 202 CG GLU A 10 80.164 -2.195 -7.594 1.00 0.00 C ATOM 203 CD GLU A 10 78.831 -2.887 -7.531 1.00 0.00 C ATOM 204 OE1 GLU A 10 78.402 -3.460 -8.546 1.00 0.00 O ATOM 205 OE2 GLU A 10 78.163 -2.834 -6.485 1.00 0.00 O ATOM 0 H GLU A 10 81.892 -1.972 -5.258 1.00 0.00 H new ATOM 0 HA GLU A 10 80.488 -4.450 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.266 -2.563 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.321 -3.884 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.200 -1.424 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.256 -1.690 -8.555 1.00 0.00 H new ATOM 212 N LEU A 11 83.572 -4.265 -5.195 1.00 0.00 N ATOM 213 CA LEU A 11 84.815 -4.982 -4.975 1.00 0.00 C ATOM 214 C LEU A 11 84.635 -6.136 -4.007 1.00 0.00 C ATOM 215 O LEU A 11 83.519 -6.482 -3.579 1.00 0.00 O ATOM 216 CB LEU A 11 85.837 -4.064 -4.328 1.00 0.00 C ATOM 217 CG LEU A 11 86.334 -2.838 -5.043 1.00 0.00 C ATOM 218 CD1 LEU A 11 87.518 -2.249 -4.297 1.00 0.00 C ATOM 219 CD2 LEU A 11 86.678 -3.143 -6.462 1.00 0.00 C ATOM 0 H LEU A 11 83.520 -3.375 -4.700 1.00 0.00 H new ATOM 0 HA LEU A 11 85.138 -5.343 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 11 85.414 -3.732 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 11 86.710 -4.673 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 11 85.536 -2.096 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 11 87.873 -1.361 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 11 87.213 -1.977 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 11 88.320 -2.986 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 11 87.034 -2.237 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 11 87.459 -3.903 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 11 85.793 -3.512 -6.980 1.00 0.00 H new ATOM 231 N LYS A 12 85.765 -6.725 -3.683 1.00 0.00 N ATOM 232 CA LYS A 12 85.896 -7.729 -2.719 1.00 0.00 C ATOM 233 C LYS A 12 86.855 -7.193 -1.695 1.00 0.00 C ATOM 234 O LYS A 12 87.404 -6.102 -1.880 1.00 0.00 O ATOM 235 CB LYS A 12 86.503 -8.946 -3.332 1.00 0.00 C ATOM 236 CG LYS A 12 85.854 -9.362 -4.607 1.00 0.00 C ATOM 237 CD LYS A 12 86.333 -10.721 -5.034 1.00 0.00 C ATOM 238 CE LYS A 12 85.704 -11.154 -6.347 1.00 0.00 C ATOM 239 NZ LYS A 12 86.151 -12.499 -6.767 1.00 0.00 N ATOM 0 H LYS A 12 86.651 -6.483 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 12 84.928 -7.993 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 12 87.561 -8.760 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 12 86.444 -9.769 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 12 84.771 -9.377 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 12 86.074 -8.633 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 12 87.418 -10.708 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 12 86.096 -11.450 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 12 84.619 -11.149 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 12 85.955 -10.431 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 85.695 -12.751 -7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 87.184 -12.499 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 85.889 -13.195 -6.040 1.00 0.00 H new ATOM 253 N GLY A 13 87.105 -7.945 -0.688 1.00 0.00 N ATOM 254 CA GLY A 13 88.012 -7.499 0.348 1.00 0.00 C ATOM 255 C GLY A 13 87.302 -6.849 1.528 1.00 0.00 C ATOM 256 O GLY A 13 86.111 -6.494 1.447 1.00 0.00 O ATOM 0 H GLY A 13 86.705 -8.872 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 13 88.592 -8.350 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 13 88.719 -6.788 -0.079 1.00 0.00 H new ATOM 260 N LYS A 14 88.012 -6.715 2.606 1.00 0.00 N ATOM 261 CA LYS A 14 87.536 -6.063 3.800 1.00 0.00 C ATOM 262 C LYS A 14 87.826 -4.581 3.721 1.00 0.00 C ATOM 263 O LYS A 14 88.949 -4.186 3.548 1.00 0.00 O ATOM 264 CB LYS A 14 88.192 -6.697 5.040 1.00 0.00 C ATOM 265 CG LYS A 14 88.063 -5.877 6.307 1.00 0.00 C ATOM 266 CD LYS A 14 86.636 -5.661 6.717 1.00 0.00 C ATOM 267 CE LYS A 14 86.540 -4.504 7.682 1.00 0.00 C ATOM 268 NZ LYS A 14 85.141 -4.280 8.093 1.00 0.00 N ATOM 0 H LYS A 14 88.967 -7.064 2.688 1.00 0.00 H new ATOM 0 HA LYS A 14 86.457 -6.195 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 14 87.747 -7.677 5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 14 89.250 -6.859 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 14 88.596 -6.378 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 14 88.544 -4.910 6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 14 86.023 -5.462 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 14 86.243 -6.565 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 14 87.154 -4.705 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 14 86.936 -3.602 7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 85.098 -3.480 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 84.563 -4.067 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 84.775 -5.135 8.558 1.00 0.00 H new ATOM 282 N PHE A 15 86.826 -3.782 3.910 1.00 0.00 N ATOM 283 CA PHE A 15 86.984 -2.356 3.771 1.00 0.00 C ATOM 284 C PHE A 15 87.018 -1.705 5.098 1.00 0.00 C ATOM 285 O PHE A 15 86.085 -1.806 5.901 1.00 0.00 O ATOM 286 CB PHE A 15 85.946 -1.745 2.869 1.00 0.00 C ATOM 287 CG PHE A 15 86.050 -2.257 1.481 1.00 0.00 C ATOM 288 CD1 PHE A 15 87.043 -1.801 0.626 1.00 0.00 C ATOM 289 CD2 PHE A 15 85.172 -3.211 1.028 1.00 0.00 C ATOM 290 CE1 PHE A 15 87.132 -2.292 -0.642 1.00 0.00 C ATOM 291 CE2 PHE A 15 85.273 -3.699 -0.246 1.00 0.00 C ATOM 292 CZ PHE A 15 86.258 -3.229 -1.075 1.00 0.00 C ATOM 0 H PHE A 15 85.885 -4.086 4.162 1.00 0.00 H new ATOM 0 HA PHE A 15 87.943 -2.179 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 15 84.952 -1.959 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 15 86.060 -0.661 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 15 87.747 -1.056 0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 15 84.396 -3.579 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 15 87.905 -1.931 -1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 15 84.581 -4.450 -0.596 1.00 0.00 H new ATOM 0 HZ PHE A 15 86.337 -3.610 -2.082 1.00 0.00 H new ATOM 302 N ILE A 16 88.095 -1.076 5.333 1.00 0.00 N ATOM 303 CA ILE A 16 88.426 -0.502 6.599 1.00 0.00 C ATOM 304 C ILE A 16 88.656 0.980 6.425 1.00 0.00 C ATOM 305 O ILE A 16 89.150 1.418 5.393 1.00 0.00 O ATOM 306 CB ILE A 16 89.706 -1.173 7.091 1.00 0.00 C ATOM 307 CG1 ILE A 16 89.514 -2.677 6.916 1.00 0.00 C ATOM 308 CG2 ILE A 16 89.945 -0.815 8.559 1.00 0.00 C ATOM 309 CD1 ILE A 16 90.757 -3.451 6.717 1.00 0.00 C ATOM 0 H ILE A 16 88.815 -0.932 4.625 1.00 0.00 H new ATOM 0 HA ILE A 16 87.621 -0.651 7.319 1.00 0.00 H new ATOM 0 HB ILE A 16 90.577 -0.837 6.528 1.00 0.00 H new ATOM 0 HG12 ILE A 16 88.999 -3.066 7.795 1.00 0.00 H new ATOM 0 HG13 ILE A 16 88.859 -2.846 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.859 -1.296 8.907 1.00 0.00 H new ATOM 0 HG22 ILE A 16 90.043 0.266 8.659 1.00 0.00 H new ATOM 0 HG23 ILE A 16 89.103 -1.160 9.159 1.00 0.00 H new ATOM 0 HD11 ILE A 16 90.514 -4.507 6.603 1.00 0.00 H new ATOM 0 HD12 ILE A 16 91.266 -3.097 5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 16 91.409 -3.320 7.580 1.00 0.00 H new ATOM 321 N HIS A 17 88.311 1.731 7.414 1.00 0.00 N ATOM 322 CA HIS A 17 88.392 3.146 7.346 1.00 0.00 C ATOM 323 C HIS A 17 89.383 3.636 8.390 1.00 0.00 C ATOM 324 O HIS A 17 89.290 3.277 9.566 1.00 0.00 O ATOM 325 CB HIS A 17 87.012 3.689 7.612 1.00 0.00 C ATOM 326 CG HIS A 17 86.776 5.093 7.140 1.00 0.00 C ATOM 327 ND1 HIS A 17 86.314 6.106 7.947 1.00 0.00 N ATOM 328 CD2 HIS A 17 86.871 5.618 5.895 1.00 0.00 C ATOM 329 CE1 HIS A 17 86.135 7.191 7.191 1.00 0.00 C ATOM 330 NE2 HIS A 17 86.462 6.948 5.926 1.00 0.00 N ATOM 0 H HIS A 17 87.961 1.373 8.303 1.00 0.00 H new ATOM 0 HA HIS A 17 88.737 3.483 6.369 1.00 0.00 H new ATOM 0 HB2 HIS A 17 86.283 3.035 7.134 1.00 0.00 H new ATOM 0 HB3 HIS A 17 86.823 3.647 8.685 1.00 0.00 H new ATOM 0 HD2 HIS A 17 87.210 5.088 5.017 1.00 0.00 H new ATOM 0 HE1 HIS A 17 85.773 8.140 7.558 1.00 0.00 H new ATOM 0 HE2 HIS A 17 86.422 7.600 5.142 1.00 0.00 H new ATOM 338 N THR A 18 90.318 4.413 7.959 1.00 0.00 N ATOM 339 CA THR A 18 91.359 4.956 8.801 1.00 0.00 C ATOM 340 C THR A 18 91.563 6.379 8.388 1.00 0.00 C ATOM 341 O THR A 18 91.165 6.743 7.334 1.00 0.00 O ATOM 342 CB THR A 18 92.697 4.159 8.648 1.00 0.00 C ATOM 343 OG1 THR A 18 93.756 4.691 9.485 1.00 0.00 O ATOM 344 CG2 THR A 18 93.163 4.154 7.202 1.00 0.00 C ATOM 0 H THR A 18 90.392 4.704 6.984 1.00 0.00 H new ATOM 0 HA THR A 18 91.063 4.884 9.847 1.00 0.00 H new ATOM 0 HB THR A 18 92.485 3.140 8.972 1.00 0.00 H new ATOM 0 HG1 THR A 18 93.413 4.842 10.390 1.00 0.00 H new ATOM 0 HG21 THR A 18 94.095 3.594 7.122 1.00 0.00 H new ATOM 0 HG22 THR A 18 92.403 3.686 6.576 1.00 0.00 H new ATOM 0 HG23 THR A 18 93.326 5.179 6.869 1.00 0.00 H new ATOM 352 N LYS A 19 92.071 7.161 9.233 1.00 0.00 N ATOM 353 CA LYS A 19 92.387 8.522 8.926 1.00 0.00 C ATOM 354 C LYS A 19 93.807 8.722 9.307 1.00 0.00 C ATOM 355 O LYS A 19 94.203 8.469 10.447 1.00 0.00 O ATOM 356 CB LYS A 19 91.409 9.446 9.643 1.00 0.00 C ATOM 357 CG LYS A 19 91.686 10.919 9.512 1.00 0.00 C ATOM 358 CD LYS A 19 90.664 11.756 10.251 1.00 0.00 C ATOM 359 CE LYS A 19 90.706 11.497 11.738 1.00 0.00 C ATOM 360 NZ LYS A 19 89.635 12.219 12.454 1.00 0.00 N ATOM 0 H LYS A 19 92.294 6.889 10.190 1.00 0.00 H new ATOM 0 HA LYS A 19 92.281 8.759 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 19 90.407 9.249 9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 19 91.405 9.189 10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 19 92.681 11.137 9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 19 91.687 11.195 8.458 1.00 0.00 H new ATOM 0 HD2 LYS A 19 90.851 12.813 10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 19 89.667 11.534 9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 19 90.609 10.427 11.923 1.00 0.00 H new ATOM 0 HE3 LYS A 19 91.675 11.802 12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 89.699 12.015 13.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 89.742 13.242 12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 88.709 11.910 12.096 1.00 0.00 H new ATOM 374 N LEU A 20 94.581 9.148 8.354 1.00 0.00 N ATOM 375 CA LEU A 20 95.998 9.184 8.535 1.00 0.00 C ATOM 376 C LEU A 20 96.421 10.594 8.703 1.00 0.00 C ATOM 377 O LEU A 20 96.294 11.404 7.791 1.00 0.00 O ATOM 378 CB LEU A 20 96.710 8.570 7.311 1.00 0.00 C ATOM 379 CG LEU A 20 98.122 7.951 7.525 1.00 0.00 C ATOM 380 CD1 LEU A 20 99.096 8.883 8.210 1.00 0.00 C ATOM 381 CD2 LEU A 20 98.013 6.685 8.312 1.00 0.00 C ATOM 0 H LEU A 20 94.254 9.475 7.445 1.00 0.00 H new ATOM 0 HA LEU A 20 96.266 8.605 9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 20 96.063 7.794 6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.797 9.346 6.550 1.00 0.00 H new ATOM 0 HG LEU A 20 98.519 7.754 6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 20 100.058 8.383 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 20 99.224 9.782 7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.709 9.156 9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 20 99.006 6.260 8.456 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.565 6.897 9.283 1.00 0.00 H new ATOM 0 HD23 LEU A 20 97.389 5.973 7.772 1.00 0.00 H new ATOM 393 N ARG A 21 96.942 10.874 9.854 1.00 0.00 N ATOM 394 CA ARG A 21 97.406 12.169 10.167 1.00 0.00 C ATOM 395 C ARG A 21 98.747 12.375 9.546 1.00 0.00 C ATOM 396 O ARG A 21 99.744 11.803 9.992 1.00 0.00 O ATOM 397 CB ARG A 21 97.467 12.382 11.670 1.00 0.00 C ATOM 398 CG ARG A 21 97.801 13.806 12.105 1.00 0.00 C ATOM 399 CD ARG A 21 97.974 13.873 13.615 1.00 0.00 C ATOM 400 NE ARG A 21 99.239 13.264 14.046 1.00 0.00 N ATOM 401 CZ ARG A 21 99.398 12.044 14.597 1.00 0.00 C ATOM 402 NH1 ARG A 21 98.352 11.234 14.803 1.00 0.00 N ATOM 403 NH2 ARG A 21 100.612 11.655 14.957 1.00 0.00 N ATOM 0 H ARG A 21 97.055 10.195 10.607 1.00 0.00 H new ATOM 0 HA ARG A 21 96.707 12.902 9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 21 96.506 12.102 12.101 1.00 0.00 H new ATOM 0 HB3 ARG A 21 98.213 11.706 12.088 1.00 0.00 H new ATOM 0 HG2 ARG A 21 98.715 14.138 11.613 1.00 0.00 H new ATOM 0 HG3 ARG A 21 97.006 14.484 11.793 1.00 0.00 H new ATOM 0 HD2 ARG A 21 97.942 14.913 13.939 1.00 0.00 H new ATOM 0 HD3 ARG A 21 97.141 13.363 14.099 1.00 0.00 H new ATOM 0 HE ARG A 21 100.083 13.821 13.915 1.00 0.00 H new ATOM 0 HH11 ARG A 21 97.414 11.536 14.542 1.00 0.00 H new ATOM 0 HH12 ARG A 21 98.494 10.315 15.221 1.00 0.00 H new ATOM 0 HH21 ARG A 21 101.409 12.276 14.816 1.00 0.00 H new ATOM 0 HH22 ARG A 21 100.750 10.735 15.375 1.00 0.00 H new ATOM 417 N LYS A 22 98.733 13.101 8.456 1.00 0.00 N ATOM 418 CA LYS A 22 99.904 13.551 7.796 1.00 0.00 C ATOM 419 C LYS A 22 100.673 14.397 8.791 1.00 0.00 C ATOM 420 O LYS A 22 100.369 15.517 8.997 1.00 0.00 O ATOM 421 CB LYS A 22 99.476 14.349 6.520 1.00 0.00 C ATOM 422 CG LYS A 22 100.611 14.973 5.722 1.00 0.00 C ATOM 423 CD LYS A 22 100.236 15.313 4.281 1.00 0.00 C ATOM 424 CE LYS A 22 101.487 15.720 3.502 1.00 0.00 C ATOM 425 NZ LYS A 22 101.279 15.869 2.047 1.00 0.00 N ATOM 0 H LYS A 22 97.871 13.398 7.999 1.00 0.00 H new ATOM 0 HA LYS A 22 100.547 12.736 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 22 98.920 13.679 5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 22 98.790 15.141 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 22 100.941 15.882 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 22 101.458 14.287 5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 22 99.764 14.453 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 22 99.508 16.124 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 22 101.858 16.664 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 22 102.264 14.974 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 102.200 15.876 1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 100.709 15.074 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 100.782 16.762 1.857 1.00 0.00 H new ATOM 439 N SER A 23 101.637 13.786 9.411 1.00 0.00 N ATOM 440 CA SER A 23 102.452 14.373 10.448 1.00 0.00 C ATOM 441 C SER A 23 103.610 15.157 9.799 1.00 0.00 C ATOM 442 O SER A 23 103.479 15.605 8.658 1.00 0.00 O ATOM 443 CB SER A 23 102.956 13.217 11.345 1.00 0.00 C ATOM 444 OG SER A 23 103.676 13.676 12.473 1.00 0.00 O ATOM 0 H SER A 23 101.894 12.821 9.203 1.00 0.00 H new ATOM 0 HA SER A 23 101.891 15.079 11.061 1.00 0.00 H new ATOM 0 HB2 SER A 23 102.105 12.624 11.679 1.00 0.00 H new ATOM 0 HB3 SER A 23 103.593 12.557 10.756 1.00 0.00 H new ATOM 0 HG SER A 23 103.971 12.909 13.007 1.00 0.00 H new ATOM 450 N SER A 24 104.714 15.341 10.511 1.00 0.00 N ATOM 451 CA SER A 24 105.883 16.027 9.971 1.00 0.00 C ATOM 452 C SER A 24 106.415 15.252 8.752 1.00 0.00 C ATOM 453 O SER A 24 106.876 15.841 7.763 1.00 0.00 O ATOM 454 CB SER A 24 106.957 16.129 11.046 1.00 0.00 C ATOM 455 OG SER A 24 106.399 16.622 12.256 1.00 0.00 O ATOM 0 H SER A 24 104.826 15.022 11.473 1.00 0.00 H new ATOM 0 HA SER A 24 105.606 17.033 9.656 1.00 0.00 H new ATOM 0 HB2 SER A 24 107.404 15.150 11.216 1.00 0.00 H new ATOM 0 HB3 SER A 24 107.756 16.790 10.710 1.00 0.00 H new ATOM 0 HG SER A 24 107.099 16.681 12.939 1.00 0.00 H new ATOM 461 N ARG A 25 106.331 13.931 8.835 1.00 0.00 N ATOM 462 CA ARG A 25 106.679 13.055 7.728 1.00 0.00 C ATOM 463 C ARG A 25 105.473 12.868 6.823 1.00 0.00 C ATOM 464 O ARG A 25 105.599 12.434 5.670 1.00 0.00 O ATOM 465 CB ARG A 25 107.160 11.697 8.240 1.00 0.00 C ATOM 466 CG ARG A 25 108.488 11.731 8.973 1.00 0.00 C ATOM 467 CD ARG A 25 109.612 12.133 8.044 1.00 0.00 C ATOM 468 NE ARG A 25 109.731 11.201 6.922 1.00 0.00 N ATOM 469 CZ ARG A 25 110.205 11.508 5.715 1.00 0.00 C ATOM 470 NH1 ARG A 25 110.775 12.695 5.501 1.00 0.00 N ATOM 471 NH2 ARG A 25 110.149 10.608 4.736 1.00 0.00 N ATOM 0 H ARG A 25 106.020 13.438 9.672 1.00 0.00 H new ATOM 0 HA ARG A 25 107.489 13.516 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 25 106.402 11.286 8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 25 107.244 11.014 7.395 1.00 0.00 H new ATOM 0 HG2 ARG A 25 108.430 12.434 9.804 1.00 0.00 H new ATOM 0 HG3 ARG A 25 108.697 10.750 9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 25 109.433 13.140 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 25 110.551 12.163 8.597 1.00 0.00 H new ATOM 0 HE ARG A 25 109.427 10.240 7.076 1.00 0.00 H new ATOM 0 HH11 ARG A 25 110.849 13.370 6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 25 111.137 12.928 4.576 1.00 0.00 H new ATOM 0 HH21 ARG A 25 109.745 9.688 4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 25 110.510 10.838 3.810 1.00 0.00 H new ATOM 485 N GLY A 26 104.314 13.203 7.345 1.00 0.00 N ATOM 486 CA GLY A 26 103.120 13.094 6.639 1.00 0.00 C ATOM 487 C GLY A 26 102.537 11.725 6.828 1.00 0.00 C ATOM 488 O GLY A 26 102.147 11.368 7.943 1.00 0.00 O ATOM 0 H GLY A 26 104.205 13.563 8.293 1.00 0.00 H new ATOM 0 HA2 GLY A 26 102.414 13.850 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 26 103.296 13.281 5.580 1.00 0.00 H new ATOM 492 N PHE A 27 102.511 10.950 5.789 1.00 0.00 N ATOM 493 CA PHE A 27 101.933 9.645 5.866 1.00 0.00 C ATOM 494 C PHE A 27 103.006 8.624 6.089 1.00 0.00 C ATOM 495 O PHE A 27 104.060 8.648 5.437 1.00 0.00 O ATOM 496 CB PHE A 27 101.113 9.311 4.619 1.00 0.00 C ATOM 497 CG PHE A 27 100.122 10.368 4.278 1.00 0.00 C ATOM 498 CD1 PHE A 27 99.058 10.613 5.107 1.00 0.00 C ATOM 499 CD2 PHE A 27 100.269 11.135 3.139 1.00 0.00 C ATOM 500 CE1 PHE A 27 98.165 11.594 4.817 1.00 0.00 C ATOM 501 CE2 PHE A 27 99.365 12.124 2.839 1.00 0.00 C ATOM 502 CZ PHE A 27 98.313 12.354 3.681 1.00 0.00 C ATOM 0 H PHE A 27 102.885 11.200 4.874 1.00 0.00 H new ATOM 0 HA PHE A 27 101.246 9.630 6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 27 101.787 9.166 3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 27 100.591 8.367 4.776 1.00 0.00 H new ATOM 0 HD1 PHE A 27 98.929 10.020 6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 27 101.104 10.955 2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 27 97.334 11.778 5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 27 99.484 12.716 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 27 97.599 13.132 3.454 1.00 0.00 H new ATOM 512 N GLY A 28 102.734 7.724 7.004 1.00 0.00 N ATOM 513 CA GLY A 28 103.692 6.718 7.369 1.00 0.00 C ATOM 514 C GLY A 28 103.721 5.554 6.402 1.00 0.00 C ATOM 515 O GLY A 28 104.532 4.654 6.547 1.00 0.00 O ATOM 0 H GLY A 28 101.850 7.671 7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 28 104.683 7.168 7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 28 103.460 6.348 8.368 1.00 0.00 H new ATOM 519 N PHE A 29 102.843 5.577 5.421 1.00 0.00 N ATOM 520 CA PHE A 29 102.721 4.493 4.464 1.00 0.00 C ATOM 521 C PHE A 29 103.125 4.922 3.071 1.00 0.00 C ATOM 522 O PHE A 29 103.248 6.117 2.770 1.00 0.00 O ATOM 523 CB PHE A 29 101.309 3.909 4.414 1.00 0.00 C ATOM 524 CG PHE A 29 100.254 4.822 3.847 1.00 0.00 C ATOM 525 CD1 PHE A 29 99.831 5.960 4.512 1.00 0.00 C ATOM 526 CD2 PHE A 29 99.696 4.535 2.625 1.00 0.00 C ATOM 527 CE1 PHE A 29 98.873 6.783 3.955 1.00 0.00 C ATOM 528 CE2 PHE A 29 98.744 5.345 2.072 1.00 0.00 C ATOM 529 CZ PHE A 29 98.329 6.468 2.728 1.00 0.00 C ATOM 0 H PHE A 29 102.193 6.347 5.263 1.00 0.00 H new ATOM 0 HA PHE A 29 103.404 3.719 4.815 1.00 0.00 H new ATOM 0 HB2 PHE A 29 101.332 2.995 3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 29 101.015 3.625 5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 29 100.254 6.206 5.475 1.00 0.00 H new ATOM 0 HD2 PHE A 29 100.016 3.652 2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 29 98.551 7.671 4.479 1.00 0.00 H new ATOM 0 HE2 PHE A 29 98.318 5.095 1.111 1.00 0.00 H new ATOM 0 HZ PHE A 29 97.578 7.107 2.288 1.00 0.00 H new ATOM 539 N THR A 30 103.354 3.941 2.264 1.00 0.00 N ATOM 540 CA THR A 30 103.708 4.069 0.889 1.00 0.00 C ATOM 541 C THR A 30 102.708 3.290 0.099 1.00 0.00 C ATOM 542 O THR A 30 102.170 2.288 0.591 1.00 0.00 O ATOM 543 CB THR A 30 105.112 3.480 0.657 1.00 0.00 C ATOM 544 OG1 THR A 30 105.141 2.132 1.151 1.00 0.00 O ATOM 545 CG2 THR A 30 106.148 4.257 1.407 1.00 0.00 C ATOM 0 H THR A 30 103.295 2.968 2.565 1.00 0.00 H new ATOM 0 HA THR A 30 103.715 5.117 0.589 1.00 0.00 H new ATOM 0 HB THR A 30 105.326 3.520 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 30 104.874 2.123 2.094 1.00 0.00 H new ATOM 0 HG21 THR A 30 107.131 3.821 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 30 106.142 5.293 1.068 1.00 0.00 H new ATOM 0 HG23 THR A 30 105.926 4.224 2.474 1.00 0.00 H new ATOM 553 N VAL A 31 102.424 3.730 -1.077 1.00 0.00 N ATOM 554 CA VAL A 31 101.508 3.029 -1.894 1.00 0.00 C ATOM 555 C VAL A 31 102.123 2.619 -3.186 1.00 0.00 C ATOM 556 O VAL A 31 103.058 3.266 -3.695 1.00 0.00 O ATOM 557 CB VAL A 31 100.198 3.787 -2.165 1.00 0.00 C ATOM 558 CG1 VAL A 31 99.337 3.879 -0.935 1.00 0.00 C ATOM 559 CG2 VAL A 31 100.437 5.159 -2.776 1.00 0.00 C ATOM 0 H VAL A 31 102.816 4.575 -1.492 1.00 0.00 H new ATOM 0 HA VAL A 31 101.248 2.143 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 31 99.653 3.200 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 31 98.422 4.422 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 31 99.085 2.876 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 31 99.879 4.406 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 31 99.480 5.652 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 31 101.039 5.761 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 31 100.963 5.048 -3.724 1.00 0.00 H new ATOM 569 N VAL A 32 101.669 1.523 -3.670 1.00 0.00 N ATOM 570 CA VAL A 32 102.042 1.051 -4.937 1.00 0.00 C ATOM 571 C VAL A 32 100.824 0.524 -5.655 1.00 0.00 C ATOM 572 O VAL A 32 99.854 0.130 -5.036 1.00 0.00 O ATOM 573 CB VAL A 32 103.148 -0.013 -4.835 1.00 0.00 C ATOM 574 CG1 VAL A 32 102.713 -1.177 -3.971 1.00 0.00 C ATOM 575 CG2 VAL A 32 103.570 -0.508 -6.179 1.00 0.00 C ATOM 0 H VAL A 32 101.011 0.919 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 32 102.457 1.876 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 32 104.005 0.471 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 32 103.517 -1.912 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 32 102.483 -0.819 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 32 101.826 -1.640 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 32 104.352 -1.258 -6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 32 102.715 -0.953 -6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 32 103.951 0.325 -6.770 1.00 0.00 H new ATOM 585 N GLY A 33 100.889 0.562 -6.926 1.00 0.00 N ATOM 586 CA GLY A 33 99.845 0.115 -7.741 1.00 0.00 C ATOM 587 C GLY A 33 99.345 1.261 -8.529 1.00 0.00 C ATOM 588 O GLY A 33 100.159 1.988 -9.120 1.00 0.00 O ATOM 0 H GLY A 33 101.696 0.916 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 33 100.194 -0.677 -8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 33 99.044 -0.306 -7.134 1.00 0.00 H new ATOM 592 N GLY A 34 98.017 1.435 -8.547 1.00 0.00 N ATOM 593 CA GLY A 34 97.357 2.559 -9.188 1.00 0.00 C ATOM 594 C GLY A 34 97.833 2.763 -10.560 1.00 0.00 C ATOM 595 O GLY A 34 97.911 3.891 -11.042 1.00 0.00 O ATOM 0 H GLY A 34 97.368 0.783 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 34 96.280 2.390 -9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 34 97.532 3.463 -8.605 1.00 0.00 H new ATOM 599 N ASP A 35 98.104 1.674 -11.223 1.00 0.00 N ATOM 600 CA ASP A 35 98.727 1.732 -12.498 1.00 0.00 C ATOM 601 C ASP A 35 97.779 2.319 -13.423 1.00 0.00 C ATOM 602 O ASP A 35 98.146 3.060 -14.346 1.00 0.00 O ATOM 603 CB ASP A 35 99.090 0.366 -12.967 1.00 0.00 C ATOM 604 CG ASP A 35 100.081 0.396 -14.102 1.00 0.00 C ATOM 605 OD1 ASP A 35 101.261 0.699 -13.847 1.00 0.00 O ATOM 606 OD2 ASP A 35 99.715 0.100 -15.255 1.00 0.00 O ATOM 0 H ASP A 35 97.898 0.732 -10.891 1.00 0.00 H new ATOM 0 HA ASP A 35 99.639 2.326 -12.438 1.00 0.00 H new ATOM 0 HB2 ASP A 35 99.509 -0.202 -12.136 1.00 0.00 H new ATOM 0 HB3 ASP A 35 98.189 -0.157 -13.288 1.00 0.00 H new ATOM 611 N GLU A 36 96.528 2.068 -13.148 1.00 0.00 N ATOM 612 CA GLU A 36 95.540 2.592 -14.010 1.00 0.00 C ATOM 613 C GLU A 36 94.261 2.592 -13.326 1.00 0.00 C ATOM 614 O GLU A 36 94.170 2.020 -12.240 1.00 0.00 O ATOM 615 CB GLU A 36 95.481 1.784 -15.311 1.00 0.00 C ATOM 616 CG GLU A 36 95.378 0.305 -15.121 1.00 0.00 C ATOM 617 CD GLU A 36 95.014 -0.400 -16.400 1.00 0.00 C ATOM 618 OE1 GLU A 36 94.069 0.052 -17.100 1.00 0.00 O ATOM 619 OE2 GLU A 36 95.651 -1.420 -16.742 1.00 0.00 O ATOM 0 H GLU A 36 96.189 1.520 -12.357 1.00 0.00 H new ATOM 0 HA GLU A 36 95.792 3.618 -14.276 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.625 2.123 -15.895 1.00 0.00 H new ATOM 0 HB3 GLU A 36 96.373 2.000 -15.898 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.328 -0.081 -14.751 1.00 0.00 H new ATOM 0 HG3 GLU A 36 94.628 0.088 -14.360 1.00 0.00 H new ATOM 626 N PRO A 37 93.254 3.295 -13.874 1.00 0.00 N ATOM 627 CA PRO A 37 91.886 3.174 -13.408 1.00 0.00 C ATOM 628 C PRO A 37 91.384 1.762 -13.736 1.00 0.00 C ATOM 629 O PRO A 37 90.480 1.571 -14.562 1.00 0.00 O ATOM 630 CB PRO A 37 91.129 4.232 -14.218 1.00 0.00 C ATOM 631 CG PRO A 37 91.986 4.512 -15.392 1.00 0.00 C ATOM 632 CD PRO A 37 93.383 4.330 -14.924 1.00 0.00 C ATOM 0 HA PRO A 37 91.763 3.322 -12.335 1.00 0.00 H new ATOM 0 HB2 PRO A 37 90.149 3.866 -14.525 1.00 0.00 H new ATOM 0 HB3 PRO A 37 90.962 5.134 -13.629 1.00 0.00 H new ATOM 0 HG2 PRO A 37 91.757 3.834 -16.214 1.00 0.00 H new ATOM 0 HG3 PRO A 37 91.826 5.525 -15.761 1.00 0.00 H new ATOM 0 HD2 PRO A 37 94.039 4.005 -15.731 1.00 0.00 H new ATOM 0 HD3 PRO A 37 93.799 5.256 -14.528 1.00 0.00 H new ATOM 640 N ASP A 38 92.043 0.796 -13.098 1.00 0.00 N ATOM 641 CA ASP A 38 91.877 -0.658 -13.334 1.00 0.00 C ATOM 642 C ASP A 38 92.972 -1.457 -12.577 1.00 0.00 C ATOM 643 O ASP A 38 92.902 -2.675 -12.453 1.00 0.00 O ATOM 644 CB ASP A 38 91.899 -1.016 -14.814 1.00 0.00 C ATOM 645 CG ASP A 38 91.380 -2.401 -15.102 1.00 0.00 C ATOM 646 OD1 ASP A 38 90.136 -2.580 -15.159 1.00 0.00 O ATOM 647 OD2 ASP A 38 92.165 -3.313 -15.340 1.00 0.00 O ATOM 0 H ASP A 38 92.734 0.999 -12.375 1.00 0.00 H new ATOM 0 HA ASP A 38 90.894 -0.931 -12.950 1.00 0.00 H new ATOM 0 HB2 ASP A 38 91.301 -0.290 -15.365 1.00 0.00 H new ATOM 0 HB3 ASP A 38 92.921 -0.934 -15.185 1.00 0.00 H new ATOM 652 N GLU A 39 93.960 -0.753 -12.036 1.00 0.00 N ATOM 653 CA GLU A 39 94.901 -1.340 -11.135 1.00 0.00 C ATOM 654 C GLU A 39 94.922 -0.483 -9.915 1.00 0.00 C ATOM 655 O GLU A 39 95.242 0.742 -10.071 1.00 0.00 O ATOM 656 CB GLU A 39 96.297 -1.456 -11.704 1.00 0.00 C ATOM 657 CG GLU A 39 96.415 -2.405 -12.873 1.00 0.00 C ATOM 658 CD GLU A 39 97.820 -2.920 -13.021 1.00 0.00 C ATOM 659 OE1 GLU A 39 98.289 -3.632 -12.109 1.00 0.00 O ATOM 660 OE2 GLU A 39 98.487 -2.628 -14.007 1.00 0.00 O ATOM 0 H GLU A 39 94.117 0.238 -12.220 1.00 0.00 H new ATOM 0 HA GLU A 39 94.587 -2.362 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 39 96.632 -0.467 -12.018 1.00 0.00 H new ATOM 0 HB3 GLU A 39 96.972 -1.785 -10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 39 95.731 -3.243 -12.734 1.00 0.00 H new ATOM 0 HG3 GLU A 39 96.114 -1.896 -13.789 1.00 0.00 H new ATOM 667 N PHE A 40 94.719 -1.193 -8.725 1.00 0.00 N ATOM 668 CA PHE A 40 94.416 -0.705 -7.305 1.00 0.00 C ATOM 669 C PHE A 40 95.626 -0.158 -6.591 1.00 0.00 C ATOM 670 O PHE A 40 96.748 -0.446 -6.997 1.00 0.00 O ATOM 671 CB PHE A 40 94.006 -1.923 -6.408 1.00 0.00 C ATOM 672 CG PHE A 40 92.641 -2.491 -6.603 1.00 0.00 C ATOM 673 CD1 PHE A 40 91.640 -1.700 -7.005 1.00 0.00 C ATOM 674 CD2 PHE A 40 92.373 -3.822 -6.360 1.00 0.00 C ATOM 675 CE1 PHE A 40 90.380 -2.160 -7.186 1.00 0.00 C ATOM 676 CE2 PHE A 40 91.095 -4.319 -6.530 1.00 0.00 C ATOM 677 CZ PHE A 40 90.083 -3.480 -6.952 1.00 0.00 C ATOM 0 H PHE A 40 94.768 -2.212 -8.740 1.00 0.00 H new ATOM 0 HA PHE A 40 93.647 0.058 -7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 40 94.730 -2.721 -6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 40 94.099 -1.619 -5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 40 91.845 -0.656 -7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 40 93.166 -4.479 -6.035 1.00 0.00 H new ATOM 0 HE1 PHE A 40 89.604 -1.485 -7.516 1.00 0.00 H new ATOM 0 HE2 PHE A 40 90.888 -5.361 -6.333 1.00 0.00 H new ATOM 0 HZ PHE A 40 89.080 -3.854 -7.095 1.00 0.00 H new ATOM 687 N LEU A 41 95.412 0.679 -5.532 1.00 0.00 N ATOM 688 CA LEU A 41 96.550 1.084 -4.729 1.00 0.00 C ATOM 689 C LEU A 41 96.658 0.127 -3.620 1.00 0.00 C ATOM 690 O LEU A 41 95.664 -0.331 -3.148 1.00 0.00 O ATOM 691 CB LEU A 41 96.367 2.438 -4.100 1.00 0.00 C ATOM 692 CG LEU A 41 97.049 3.611 -4.750 1.00 0.00 C ATOM 693 CD1 LEU A 41 96.449 3.893 -6.120 1.00 0.00 C ATOM 694 CD2 LEU A 41 96.919 4.801 -3.831 1.00 0.00 C ATOM 0 H LEU A 41 94.508 1.055 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 41 97.424 1.116 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 41 95.298 2.649 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 41 96.714 2.378 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 41 98.105 3.391 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 41 96.957 4.745 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 41 96.571 3.018 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 41 95.388 4.119 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 41 97.407 5.665 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 41 95.864 5.023 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 41 97.392 4.576 -2.875 1.00 0.00 H new ATOM 706 N GLN A 42 97.822 -0.207 -3.232 1.00 0.00 N ATOM 707 CA GLN A 42 98.007 -1.009 -2.073 1.00 0.00 C ATOM 708 C GLN A 42 99.106 -0.419 -1.285 1.00 0.00 C ATOM 709 O GLN A 42 99.969 0.280 -1.826 1.00 0.00 O ATOM 710 CB GLN A 42 98.337 -2.467 -2.377 1.00 0.00 C ATOM 711 CG GLN A 42 97.379 -3.168 -3.339 1.00 0.00 C ATOM 712 CD GLN A 42 97.599 -4.662 -3.414 1.00 0.00 C ATOM 713 OE1 GLN A 42 97.407 -5.275 -4.457 1.00 0.00 O ATOM 714 NE2 GLN A 42 97.902 -5.271 -2.292 1.00 0.00 N ATOM 0 H GLN A 42 98.684 0.064 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 42 97.063 -1.018 -1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 42 99.343 -2.515 -2.793 1.00 0.00 H new ATOM 0 HB3 GLN A 42 98.353 -3.022 -1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 42 96.353 -2.973 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 42 97.496 -2.739 -4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 42 98.055 -4.728 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 42 97.984 -6.287 -2.270 1.00 0.00 H new ATOM 723 N ILE A 43 99.069 -0.674 -0.023 1.00 0.00 N ATOM 724 CA ILE A 43 100.066 -0.197 0.872 1.00 0.00 C ATOM 725 C ILE A 43 101.234 -1.045 0.634 1.00 0.00 C ATOM 726 O ILE A 43 101.186 -2.256 0.903 1.00 0.00 O ATOM 727 CB ILE A 43 99.705 -0.383 2.378 1.00 0.00 C ATOM 728 CG1 ILE A 43 98.269 0.049 2.691 1.00 0.00 C ATOM 729 CG2 ILE A 43 100.697 0.402 3.244 1.00 0.00 C ATOM 730 CD1 ILE A 43 97.958 1.494 2.390 1.00 0.00 C ATOM 0 H ILE A 43 98.336 -1.227 0.422 1.00 0.00 H new ATOM 0 HA ILE A 43 100.204 0.869 0.693 1.00 0.00 H new ATOM 0 HB ILE A 43 99.774 -1.447 2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 43 97.584 -0.580 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 43 98.071 -0.137 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 43 100.444 0.272 4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 43 101.707 0.033 3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 43 100.646 1.460 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 43 96.919 1.703 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A 43 98.612 2.137 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 43 98.118 1.687 1.329 1.00 0.00 H new ATOM 742 N LYS A 44 102.247 -0.446 0.076 1.00 0.00 N ATOM 743 CA LYS A 44 103.483 -1.096 -0.112 1.00 0.00 C ATOM 744 C LYS A 44 103.976 -1.468 1.243 1.00 0.00 C ATOM 745 O LYS A 44 104.304 -2.619 1.476 1.00 0.00 O ATOM 746 CB LYS A 44 104.475 -0.182 -0.856 1.00 0.00 C ATOM 747 CG LYS A 44 105.910 -0.702 -0.919 1.00 0.00 C ATOM 748 CD LYS A 44 105.973 -2.124 -1.443 1.00 0.00 C ATOM 749 CE LYS A 44 107.400 -2.596 -1.561 1.00 0.00 C ATOM 750 NZ LYS A 44 107.477 -4.027 -1.875 1.00 0.00 N ATOM 0 H LYS A 44 102.223 0.517 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 44 103.375 -1.986 -0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 44 104.114 -0.032 -1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 44 104.479 0.794 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 44 106.504 -0.052 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 44 106.355 -0.661 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 44 105.422 -2.786 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 44 105.487 -2.178 -2.417 1.00 0.00 H new ATOM 0 HE2 LYS A 44 107.908 -2.026 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 44 107.926 -2.400 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 108.474 -4.313 -1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 107.014 -4.573 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 106.997 -4.210 -2.779 1.00 0.00 H new ATOM 764 N SER A 45 103.912 -0.487 2.159 1.00 0.00 N ATOM 765 CA SER A 45 104.301 -0.679 3.534 1.00 0.00 C ATOM 766 C SER A 45 104.283 0.620 4.290 1.00 0.00 C ATOM 767 O SER A 45 104.054 1.678 3.712 1.00 0.00 O ATOM 768 CB SER A 45 105.625 -1.442 3.660 1.00 0.00 C ATOM 769 OG SER A 45 106.102 -1.594 5.002 1.00 0.00 O ATOM 0 H SER A 45 103.586 0.457 1.949 1.00 0.00 H new ATOM 0 HA SER A 45 103.556 -1.319 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 45 105.502 -2.431 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 45 106.385 -0.923 3.075 1.00 0.00 H new ATOM 0 HG SER A 45 106.947 -2.091 4.995 1.00 0.00 H new ATOM 775 N LEU A 46 104.475 0.523 5.563 1.00 0.00 N ATOM 776 CA LEU A 46 104.394 1.616 6.455 1.00 0.00 C ATOM 777 C LEU A 46 105.410 1.508 7.524 1.00 0.00 C ATOM 778 O LEU A 46 105.781 0.407 7.949 1.00 0.00 O ATOM 779 CB LEU A 46 102.987 1.701 7.025 1.00 0.00 C ATOM 780 CG LEU A 46 102.332 0.399 7.476 1.00 0.00 C ATOM 781 CD1 LEU A 46 102.784 -0.045 8.858 1.00 0.00 C ATOM 782 CD2 LEU A 46 100.866 0.564 7.413 1.00 0.00 C ATOM 0 H LEU A 46 104.702 -0.359 6.023 1.00 0.00 H new ATOM 0 HA LEU A 46 104.605 2.537 5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 46 103.010 2.380 7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 46 102.345 2.157 6.271 1.00 0.00 H new ATOM 0 HG LEU A 46 102.647 -0.397 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 46 102.284 -0.976 9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 46 103.863 -0.201 8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 46 102.530 0.723 9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 46 100.382 -0.359 7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 46 100.563 1.379 8.070 1.00 0.00 H new ATOM 0 HD23 LEU A 46 100.569 0.794 6.390 1.00 0.00 H new ATOM 794 N VAL A 47 105.892 2.633 7.926 1.00 0.00 N ATOM 795 CA VAL A 47 106.799 2.714 9.010 1.00 0.00 C ATOM 796 C VAL A 47 105.970 2.512 10.252 1.00 0.00 C ATOM 797 O VAL A 47 105.027 3.278 10.497 1.00 0.00 O ATOM 798 CB VAL A 47 107.472 4.107 9.089 1.00 0.00 C ATOM 799 CG1 VAL A 47 108.565 4.134 10.123 1.00 0.00 C ATOM 800 CG2 VAL A 47 107.995 4.559 7.743 1.00 0.00 C ATOM 0 H VAL A 47 105.662 3.532 7.503 1.00 0.00 H new ATOM 0 HA VAL A 47 107.590 1.973 8.895 1.00 0.00 H new ATOM 0 HB VAL A 47 106.700 4.813 9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 47 109.015 5.126 10.151 1.00 0.00 H new ATOM 0 HG12 VAL A 47 108.146 3.898 11.101 1.00 0.00 H new ATOM 0 HG13 VAL A 47 109.327 3.397 9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 47 108.459 5.540 7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 47 108.734 3.844 7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 47 107.170 4.619 7.033 1.00 0.00 H new ATOM 810 N LEU A 48 106.298 1.504 11.040 1.00 0.00 N ATOM 811 CA LEU A 48 105.543 1.170 12.219 1.00 0.00 C ATOM 812 C LEU A 48 105.684 2.205 13.311 1.00 0.00 C ATOM 813 O LEU A 48 105.062 2.129 14.356 1.00 0.00 O ATOM 814 CB LEU A 48 105.880 -0.171 12.725 1.00 0.00 C ATOM 815 CG LEU A 48 107.073 -0.221 13.550 1.00 0.00 C ATOM 816 CD1 LEU A 48 106.987 -1.435 14.375 1.00 0.00 C ATOM 817 CD2 LEU A 48 108.326 -0.182 12.727 1.00 0.00 C ATOM 0 H LEU A 48 107.100 0.896 10.874 1.00 0.00 H new ATOM 0 HA LEU A 48 104.497 1.162 11.914 1.00 0.00 H new ATOM 0 HB2 LEU A 48 105.037 -0.549 13.304 1.00 0.00 H new ATOM 0 HB3 LEU A 48 106.012 -0.843 11.877 1.00 0.00 H new ATOM 0 HG LEU A 48 107.125 0.660 14.190 1.00 0.00 H new ATOM 0 HD11 LEU A 48 107.870 -1.506 15.010 1.00 0.00 H new ATOM 0 HD12 LEU A 48 106.094 -1.389 14.998 1.00 0.00 H new ATOM 0 HD13 LEU A 48 106.933 -2.311 13.729 1.00 0.00 H new ATOM 0 HD21 LEU A 48 109.195 -0.221 13.384 1.00 0.00 H new ATOM 0 HD22 LEU A 48 108.344 -1.037 12.051 1.00 0.00 H new ATOM 0 HD23 LEU A 48 108.352 0.740 12.147 1.00 0.00 H new ATOM 829 N ASP A 49 106.522 3.130 13.042 1.00 0.00 N ATOM 830 CA ASP A 49 106.822 4.243 13.904 1.00 0.00 C ATOM 831 C ASP A 49 105.814 5.340 13.656 1.00 0.00 C ATOM 832 O ASP A 49 105.516 6.162 14.528 1.00 0.00 O ATOM 833 CB ASP A 49 108.145 4.792 13.469 1.00 0.00 C ATOM 834 CG ASP A 49 108.751 5.821 14.395 1.00 0.00 C ATOM 835 OD1 ASP A 49 109.391 5.441 15.393 1.00 0.00 O ATOM 836 OD2 ASP A 49 108.647 7.035 14.110 1.00 0.00 O ATOM 0 H ASP A 49 107.054 3.147 12.172 1.00 0.00 H new ATOM 0 HA ASP A 49 106.814 3.926 14.947 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.846 3.964 13.363 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.028 5.239 12.482 1.00 0.00 H new ATOM 841 N GLY A 50 105.293 5.333 12.456 1.00 0.00 N ATOM 842 CA GLY A 50 104.469 6.371 11.998 1.00 0.00 C ATOM 843 C GLY A 50 103.014 6.150 12.274 1.00 0.00 C ATOM 844 O GLY A 50 102.594 5.043 12.642 1.00 0.00 O ATOM 0 H GLY A 50 105.444 4.587 11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 50 104.781 7.304 12.466 1.00 0.00 H new ATOM 0 HA3 GLY A 50 104.612 6.490 10.924 1.00 0.00 H new ATOM 848 N PRO A 51 102.210 7.180 12.006 1.00 0.00 N ATOM 849 CA PRO A 51 100.761 7.220 12.296 1.00 0.00 C ATOM 850 C PRO A 51 99.990 6.051 11.687 1.00 0.00 C ATOM 851 O PRO A 51 98.982 5.646 12.198 1.00 0.00 O ATOM 852 CB PRO A 51 100.309 8.544 11.655 1.00 0.00 C ATOM 853 CG PRO A 51 101.426 8.927 10.729 1.00 0.00 C ATOM 854 CD PRO A 51 102.667 8.421 11.371 1.00 0.00 C ATOM 0 HA PRO A 51 100.569 7.148 13.367 1.00 0.00 H new ATOM 0 HB2 PRO A 51 99.371 8.420 11.113 1.00 0.00 H new ATOM 0 HB3 PRO A 51 100.142 9.312 12.411 1.00 0.00 H new ATOM 0 HG2 PRO A 51 101.287 8.485 9.742 1.00 0.00 H new ATOM 0 HG3 PRO A 51 101.468 10.007 10.591 1.00 0.00 H new ATOM 0 HD2 PRO A 51 103.456 8.237 10.642 1.00 0.00 H new ATOM 0 HD3 PRO A 51 103.065 9.128 12.100 1.00 0.00 H new ATOM 862 N ALA A 52 100.513 5.514 10.623 1.00 0.00 N ATOM 863 CA ALA A 52 99.898 4.395 9.897 1.00 0.00 C ATOM 864 C ALA A 52 99.686 3.138 10.793 1.00 0.00 C ATOM 865 O ALA A 52 98.544 2.540 10.856 1.00 0.00 O ATOM 866 CB ALA A 52 100.772 4.066 8.704 1.00 0.00 C ATOM 0 H ALA A 52 101.392 5.832 10.214 1.00 0.00 H new ATOM 0 HA ALA A 52 98.903 4.698 9.571 1.00 0.00 H new ATOM 0 HB1 ALA A 52 100.334 3.236 8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 52 100.845 4.938 8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 52 101.768 3.786 9.048 1.00 0.00 H new ATOM 872 N ALA A 53 100.775 2.726 11.439 1.00 0.00 N ATOM 873 CA ALA A 53 100.773 1.607 12.371 1.00 0.00 C ATOM 874 C ALA A 53 100.178 2.027 13.703 1.00 0.00 C ATOM 875 O ALA A 53 99.516 1.252 14.381 1.00 0.00 O ATOM 876 CB ALA A 53 102.195 1.092 12.579 1.00 0.00 C ATOM 0 H ALA A 53 101.689 3.165 11.328 1.00 0.00 H new ATOM 0 HA ALA A 53 100.163 0.808 11.949 1.00 0.00 H new ATOM 0 HB1 ALA A 53 102.180 0.256 13.278 1.00 0.00 H new ATOM 0 HB2 ALA A 53 102.605 0.761 11.625 1.00 0.00 H new ATOM 0 HB3 ALA A 53 102.816 1.891 12.983 1.00 0.00 H new ATOM 882 N LEU A 54 100.410 3.270 14.055 1.00 0.00 N ATOM 883 CA LEU A 54 99.996 3.836 15.325 1.00 0.00 C ATOM 884 C LEU A 54 98.522 4.017 15.431 1.00 0.00 C ATOM 885 O LEU A 54 97.942 3.853 16.504 1.00 0.00 O ATOM 886 CB LEU A 54 100.673 5.142 15.518 1.00 0.00 C ATOM 887 CG LEU A 54 102.032 5.104 16.227 1.00 0.00 C ATOM 888 CD1 LEU A 54 102.959 4.076 15.624 1.00 0.00 C ATOM 889 CD2 LEU A 54 102.679 6.454 16.184 1.00 0.00 C ATOM 0 H LEU A 54 100.902 3.933 13.456 1.00 0.00 H new ATOM 0 HA LEU A 54 100.283 3.129 16.104 1.00 0.00 H new ATOM 0 HB2 LEU A 54 100.810 5.604 14.540 1.00 0.00 H new ATOM 0 HB3 LEU A 54 100.008 5.791 16.087 1.00 0.00 H new ATOM 0 HG LEU A 54 101.846 4.819 17.262 1.00 0.00 H new ATOM 0 HD11 LEU A 54 103.909 4.085 16.158 1.00 0.00 H new ATOM 0 HD12 LEU A 54 102.507 3.087 15.704 1.00 0.00 H new ATOM 0 HD13 LEU A 54 103.131 4.313 14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 54 103.643 6.412 16.691 1.00 0.00 H new ATOM 0 HD22 LEU A 54 102.828 6.753 15.147 1.00 0.00 H new ATOM 0 HD23 LEU A 54 102.038 7.181 16.683 1.00 0.00 H new ATOM 901 N ASP A 55 97.912 4.361 14.323 1.00 0.00 N ATOM 902 CA ASP A 55 96.451 4.521 14.239 1.00 0.00 C ATOM 903 C ASP A 55 95.829 3.163 14.417 1.00 0.00 C ATOM 904 O ASP A 55 94.650 3.013 14.740 1.00 0.00 O ATOM 905 CB ASP A 55 96.057 5.078 12.886 1.00 0.00 C ATOM 906 CG ASP A 55 94.652 5.626 12.879 1.00 0.00 C ATOM 907 OD1 ASP A 55 94.375 6.589 13.604 1.00 0.00 O ATOM 908 OD2 ASP A 55 93.782 5.080 12.186 1.00 0.00 O ATOM 0 H ASP A 55 98.400 4.542 13.445 1.00 0.00 H new ATOM 0 HA ASP A 55 96.109 5.212 15.009 1.00 0.00 H new ATOM 0 HB2 ASP A 55 96.754 5.867 12.604 1.00 0.00 H new ATOM 0 HB3 ASP A 55 96.142 4.294 12.134 1.00 0.00 H new ATOM 913 N GLY A 56 96.663 2.185 14.141 1.00 0.00 N ATOM 914 CA GLY A 56 96.368 0.800 14.373 1.00 0.00 C ATOM 915 C GLY A 56 95.487 0.202 13.339 1.00 0.00 C ATOM 916 O GLY A 56 94.977 -0.911 13.498 1.00 0.00 O ATOM 0 H GLY A 56 97.587 2.342 13.739 1.00 0.00 H new ATOM 0 HA2 GLY A 56 97.302 0.239 14.412 1.00 0.00 H new ATOM 0 HA3 GLY A 56 95.893 0.696 15.348 1.00 0.00 H new ATOM 920 N LYS A 57 95.303 0.908 12.272 1.00 0.00 N ATOM 921 CA LYS A 57 94.407 0.510 11.306 1.00 0.00 C ATOM 922 C LYS A 57 95.045 -0.001 10.038 1.00 0.00 C ATOM 923 O LYS A 57 94.614 -1.028 9.526 1.00 0.00 O ATOM 924 CB LYS A 57 93.494 1.640 11.041 1.00 0.00 C ATOM 925 CG LYS A 57 92.555 1.945 12.190 1.00 0.00 C ATOM 926 CD LYS A 57 91.576 3.028 11.830 1.00 0.00 C ATOM 927 CE LYS A 57 90.912 3.596 13.058 1.00 0.00 C ATOM 928 NZ LYS A 57 91.915 4.184 13.972 1.00 0.00 N ATOM 0 H LYS A 57 95.789 1.782 12.070 1.00 0.00 H new ATOM 0 HA LYS A 57 93.859 -0.351 11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 57 94.085 2.529 10.820 1.00 0.00 H new ATOM 0 HB3 LYS A 57 92.905 1.419 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 57 92.013 1.041 12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 57 93.133 2.251 13.062 1.00 0.00 H new ATOM 0 HD2 LYS A 57 92.092 3.823 11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 57 90.818 2.627 11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 57 90.188 4.357 12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 57 90.359 2.811 13.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 91.594 5.123 14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 92.033 3.567 14.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 92.825 4.276 13.476 1.00 0.00 H new ATOM 942 N MET A 58 96.083 0.645 9.519 1.00 0.00 N ATOM 943 CA MET A 58 96.559 0.181 8.242 1.00 0.00 C ATOM 944 C MET A 58 97.704 -0.768 8.375 1.00 0.00 C ATOM 945 O MET A 58 98.420 -0.775 9.390 1.00 0.00 O ATOM 946 CB MET A 58 96.844 1.304 7.258 1.00 0.00 C ATOM 947 CG MET A 58 97.773 2.361 7.746 1.00 0.00 C ATOM 948 SD MET A 58 98.192 3.563 6.467 1.00 0.00 S ATOM 949 CE MET A 58 96.573 4.183 6.015 1.00 0.00 C ATOM 0 H MET A 58 96.576 1.436 9.934 1.00 0.00 H new ATOM 0 HA MET A 58 95.733 -0.382 7.807 1.00 0.00 H new ATOM 0 HB2 MET A 58 97.260 0.870 6.349 1.00 0.00 H new ATOM 0 HB3 MET A 58 95.899 1.773 6.984 1.00 0.00 H new ATOM 0 HG2 MET A 58 97.317 2.878 8.590 1.00 0.00 H new ATOM 0 HG3 MET A 58 98.687 1.894 8.114 1.00 0.00 H new ATOM 0 HE1 MET A 58 96.683 5.008 5.311 1.00 0.00 H new ATOM 0 HE2 MET A 58 95.994 3.385 5.551 1.00 0.00 H new ATOM 0 HE3 MET A 58 96.056 4.534 6.908 1.00 0.00 H new ATOM 959 N GLU A 59 97.853 -1.596 7.391 1.00 0.00 N ATOM 960 CA GLU A 59 98.848 -2.606 7.377 1.00 0.00 C ATOM 961 C GLU A 59 99.407 -2.723 5.965 1.00 0.00 C ATOM 962 O GLU A 59 98.823 -2.234 4.997 1.00 0.00 O ATOM 963 CB GLU A 59 98.192 -3.919 7.837 1.00 0.00 C ATOM 964 CG GLU A 59 99.106 -5.120 7.922 1.00 0.00 C ATOM 965 CD GLU A 59 98.412 -6.312 8.502 1.00 0.00 C ATOM 966 OE1 GLU A 59 97.724 -7.044 7.761 1.00 0.00 O ATOM 967 OE2 GLU A 59 98.561 -6.554 9.720 1.00 0.00 O ATOM 0 H GLU A 59 97.268 -1.583 6.556 1.00 0.00 H new ATOM 0 HA GLU A 59 99.674 -2.369 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 59 97.747 -3.756 8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 59 97.377 -4.155 7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.477 -5.365 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 59 99.974 -4.873 8.533 1.00 0.00 H new ATOM 974 N THR A 60 100.555 -3.312 5.875 1.00 0.00 N ATOM 975 CA THR A 60 101.215 -3.559 4.640 1.00 0.00 C ATOM 976 C THR A 60 100.366 -4.565 3.847 1.00 0.00 C ATOM 977 O THR A 60 100.151 -5.697 4.305 1.00 0.00 O ATOM 978 CB THR A 60 102.586 -4.181 4.966 1.00 0.00 C ATOM 979 OG1 THR A 60 102.386 -5.418 5.694 1.00 0.00 O ATOM 980 CG2 THR A 60 103.372 -3.250 5.873 1.00 0.00 C ATOM 0 H THR A 60 101.074 -3.644 6.688 1.00 0.00 H new ATOM 0 HA THR A 60 101.346 -2.647 4.058 1.00 0.00 H new ATOM 0 HB THR A 60 103.123 -4.352 4.033 1.00 0.00 H new ATOM 0 HG1 THR A 60 101.501 -5.782 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 60 104.341 -3.695 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 60 103.521 -2.294 5.372 1.00 0.00 H new ATOM 0 HG23 THR A 60 102.819 -3.092 6.799 1.00 0.00 H new ATOM 988 N GLY A 61 99.815 -4.145 2.752 1.00 0.00 N ATOM 989 CA GLY A 61 99.063 -5.047 1.950 1.00 0.00 C ATOM 990 C GLY A 61 97.625 -4.636 1.761 1.00 0.00 C ATOM 991 O GLY A 61 96.952 -5.185 0.890 1.00 0.00 O ATOM 0 H GLY A 61 99.873 -3.190 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 61 99.538 -5.133 0.973 1.00 0.00 H new ATOM 0 HA3 GLY A 61 99.092 -6.036 2.407 1.00 0.00 H new ATOM 995 N ASP A 62 97.127 -3.679 2.563 1.00 0.00 N ATOM 996 CA ASP A 62 95.742 -3.180 2.360 1.00 0.00 C ATOM 997 C ASP A 62 95.697 -2.461 1.007 1.00 0.00 C ATOM 998 O ASP A 62 96.709 -1.947 0.557 1.00 0.00 O ATOM 999 CB ASP A 62 95.344 -2.084 3.387 1.00 0.00 C ATOM 1000 CG ASP A 62 95.115 -2.492 4.808 1.00 0.00 C ATOM 1001 OD1 ASP A 62 96.085 -2.788 5.542 1.00 0.00 O ATOM 1002 OD2 ASP A 62 93.961 -2.496 5.223 1.00 0.00 O ATOM 0 H ASP A 62 97.635 -3.244 3.333 1.00 0.00 H new ATOM 0 HA ASP A 62 95.079 -4.041 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 62 96.125 -1.324 3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 62 94.432 -1.607 3.027 1.00 0.00 H new ATOM 1007 N VAL A 63 94.564 -2.420 0.373 1.00 0.00 N ATOM 1008 CA VAL A 63 94.410 -1.665 -0.848 1.00 0.00 C ATOM 1009 C VAL A 63 93.704 -0.326 -0.598 1.00 0.00 C ATOM 1010 O VAL A 63 92.654 -0.284 0.004 1.00 0.00 O ATOM 1011 CB VAL A 63 93.756 -2.485 -2.064 1.00 0.00 C ATOM 1012 CG1 VAL A 63 93.211 -3.815 -1.649 1.00 0.00 C ATOM 1013 CG2 VAL A 63 92.683 -1.699 -2.825 1.00 0.00 C ATOM 0 H VAL A 63 93.720 -2.904 0.680 1.00 0.00 H new ATOM 0 HA VAL A 63 95.425 -1.451 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 63 94.589 -2.656 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 63 92.783 -4.319 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 63 94.014 -4.424 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 63 92.438 -3.672 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 63 92.285 -2.314 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 63 91.877 -1.430 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 63 93.123 -0.793 -3.242 1.00 0.00 H new ATOM 1023 N ILE A 64 94.330 0.759 -1.010 1.00 0.00 N ATOM 1024 CA ILE A 64 93.705 2.053 -0.955 1.00 0.00 C ATOM 1025 C ILE A 64 92.701 2.123 -2.078 1.00 0.00 C ATOM 1026 O ILE A 64 93.034 1.851 -3.329 1.00 0.00 O ATOM 1027 CB ILE A 64 94.712 3.260 -1.029 1.00 0.00 C ATOM 1028 CG1 ILE A 64 95.415 3.490 0.311 1.00 0.00 C ATOM 1029 CG2 ILE A 64 94.032 4.556 -1.500 1.00 0.00 C ATOM 1030 CD1 ILE A 64 94.496 3.996 1.409 1.00 0.00 C ATOM 0 H ILE A 64 95.277 0.763 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 64 93.226 2.154 0.019 1.00 0.00 H new ATOM 0 HB ILE A 64 95.462 2.988 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 64 95.872 2.555 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 64 96.223 4.207 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 64 94.767 5.360 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 64 93.611 4.405 -2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 64 93.236 4.822 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 64 95.068 4.134 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 64 94.058 4.947 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 64 93.702 3.270 1.582 1.00 0.00 H new ATOM 1042 N VAL A 65 91.497 2.413 -1.620 1.00 0.00 N ATOM 1043 CA VAL A 65 90.295 2.496 -2.399 1.00 0.00 C ATOM 1044 C VAL A 65 89.740 3.920 -2.411 1.00 0.00 C ATOM 1045 O VAL A 65 89.179 4.371 -3.404 1.00 0.00 O ATOM 1046 CB VAL A 65 89.209 1.534 -1.825 1.00 0.00 C ATOM 1047 CG1 VAL A 65 87.922 1.584 -2.636 1.00 0.00 C ATOM 1048 CG2 VAL A 65 89.734 0.119 -1.745 1.00 0.00 C ATOM 0 H VAL A 65 91.332 2.607 -0.632 1.00 0.00 H new ATOM 0 HA VAL A 65 90.545 2.205 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 65 88.974 1.875 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 65 87.192 0.900 -2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 65 87.522 2.598 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 65 88.129 1.290 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 65 88.960 -0.534 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 65 90.014 -0.222 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 65 90.607 0.091 -1.093 1.00 0.00 H new ATOM 1058 N SER A 66 89.844 4.624 -1.323 1.00 0.00 N ATOM 1059 CA SER A 66 89.295 5.973 -1.298 1.00 0.00 C ATOM 1060 C SER A 66 90.032 6.896 -0.352 1.00 0.00 C ATOM 1061 O SER A 66 90.744 6.444 0.542 1.00 0.00 O ATOM 1062 CB SER A 66 87.799 5.952 -0.986 1.00 0.00 C ATOM 1063 OG SER A 66 87.054 5.291 -2.007 1.00 0.00 O ATOM 0 H SER A 66 90.287 4.312 -0.459 1.00 0.00 H new ATOM 0 HA SER A 66 89.437 6.380 -2.299 1.00 0.00 H new ATOM 0 HB2 SER A 66 87.634 5.450 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 66 87.436 6.974 -0.875 1.00 0.00 H new ATOM 0 HG SER A 66 87.671 4.875 -2.645 1.00 0.00 H new ATOM 1069 N VAL A 67 89.856 8.178 -0.585 1.00 0.00 N ATOM 1070 CA VAL A 67 90.457 9.259 0.174 1.00 0.00 C ATOM 1071 C VAL A 67 89.428 10.345 0.280 1.00 0.00 C ATOM 1072 O VAL A 67 88.845 10.695 -0.738 1.00 0.00 O ATOM 1073 CB VAL A 67 91.682 9.866 -0.585 1.00 0.00 C ATOM 1074 CG1 VAL A 67 92.151 11.146 0.085 1.00 0.00 C ATOM 1075 CG2 VAL A 67 92.828 8.887 -0.648 1.00 0.00 C ATOM 0 H VAL A 67 89.263 8.514 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 67 90.784 8.880 1.142 1.00 0.00 H new ATOM 0 HB VAL A 67 91.355 10.089 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 67 93.004 11.551 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 67 91.341 11.875 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 67 92.445 10.932 1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 67 93.664 9.339 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 67 93.141 8.628 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 67 92.508 7.986 -1.171 1.00 0.00 H new ATOM 1085 N ASN A 68 89.174 10.846 1.489 1.00 0.00 N ATOM 1086 CA ASN A 68 88.247 11.988 1.691 1.00 0.00 C ATOM 1087 C ASN A 68 86.867 11.700 1.083 1.00 0.00 C ATOM 1088 O ASN A 68 86.258 12.574 0.417 1.00 0.00 O ATOM 1089 CB ASN A 68 88.828 13.257 1.033 1.00 0.00 C ATOM 1090 CG ASN A 68 90.091 13.803 1.672 1.00 0.00 C ATOM 1091 OD1 ASN A 68 90.964 14.318 0.980 1.00 0.00 O ATOM 1092 ND2 ASN A 68 90.184 13.758 2.972 1.00 0.00 N ATOM 0 H ASN A 68 89.590 10.488 2.349 1.00 0.00 H new ATOM 0 HA ASN A 68 88.133 12.138 2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 68 89.036 13.039 -0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 68 88.066 14.036 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 68 90.998 14.157 3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 68 89.443 13.323 3.522 1.00 0.00 H new ATOM 1099 N ASP A 69 86.400 10.467 1.279 1.00 0.00 N ATOM 1100 CA ASP A 69 85.133 9.943 0.697 1.00 0.00 C ATOM 1101 C ASP A 69 85.062 10.090 -0.814 1.00 0.00 C ATOM 1102 O ASP A 69 83.990 10.177 -1.396 1.00 0.00 O ATOM 1103 CB ASP A 69 83.858 10.496 1.371 1.00 0.00 C ATOM 1104 CG ASP A 69 83.372 9.649 2.528 1.00 0.00 C ATOM 1105 OD1 ASP A 69 83.933 9.741 3.642 1.00 0.00 O ATOM 1106 OD2 ASP A 69 82.377 8.878 2.347 1.00 0.00 O ATOM 0 H ASP A 69 86.889 9.781 1.854 1.00 0.00 H new ATOM 0 HA ASP A 69 85.162 8.876 0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 69 84.054 11.507 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 69 83.065 10.569 0.626 1.00 0.00 H new ATOM 1111 N THR A 70 86.197 10.144 -1.429 1.00 0.00 N ATOM 1112 CA THR A 70 86.303 10.207 -2.845 1.00 0.00 C ATOM 1113 C THR A 70 86.966 8.935 -3.284 1.00 0.00 C ATOM 1114 O THR A 70 88.024 8.562 -2.744 1.00 0.00 O ATOM 1115 CB THR A 70 87.151 11.428 -3.262 1.00 0.00 C ATOM 1116 OG1 THR A 70 86.622 12.603 -2.610 1.00 0.00 O ATOM 1117 CG2 THR A 70 87.135 11.632 -4.784 1.00 0.00 C ATOM 0 H THR A 70 87.096 10.145 -0.947 1.00 0.00 H new ATOM 0 HA THR A 70 85.323 10.316 -3.309 1.00 0.00 H new ATOM 0 HB THR A 70 88.184 11.254 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 70 86.710 12.506 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.742 12.500 -5.041 1.00 0.00 H new ATOM 0 HG22 THR A 70 87.541 10.747 -5.274 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.110 11.794 -5.119 1.00 0.00 H new ATOM 1125 N CYS A 71 86.331 8.244 -4.188 1.00 0.00 N ATOM 1126 CA CYS A 71 86.834 7.012 -4.683 1.00 0.00 C ATOM 1127 C CYS A 71 88.085 7.295 -5.457 1.00 0.00 C ATOM 1128 O CYS A 71 88.055 7.948 -6.500 1.00 0.00 O ATOM 1129 CB CYS A 71 85.793 6.319 -5.547 1.00 0.00 C ATOM 1130 SG CYS A 71 86.224 4.616 -5.983 1.00 0.00 S ATOM 0 H CYS A 71 85.443 8.530 -4.600 1.00 0.00 H new ATOM 0 HA CYS A 71 87.063 6.338 -3.857 1.00 0.00 H new ATOM 0 HB2 CYS A 71 84.839 6.319 -5.020 1.00 0.00 H new ATOM 0 HB3 CYS A 71 85.652 6.894 -6.462 1.00 0.00 H new ATOM 0 HG CYS A 71 85.396 4.176 -6.884 1.00 0.00 H new ATOM 1136 N VAL A 72 89.179 6.868 -4.911 1.00 0.00 N ATOM 1137 CA VAL A 72 90.462 7.122 -5.508 1.00 0.00 C ATOM 1138 C VAL A 72 91.088 5.771 -5.877 1.00 0.00 C ATOM 1139 O VAL A 72 92.300 5.647 -6.136 1.00 0.00 O ATOM 1140 CB VAL A 72 91.346 7.919 -4.511 1.00 0.00 C ATOM 1141 CG1 VAL A 72 92.045 7.064 -3.474 1.00 0.00 C ATOM 1142 CG2 VAL A 72 92.268 8.882 -5.190 1.00 0.00 C ATOM 0 H VAL A 72 89.214 6.335 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 72 90.368 7.724 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 72 90.640 8.522 -3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 72 92.640 7.700 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 72 91.302 6.529 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 72 92.696 6.347 -3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 72 92.859 9.409 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 72 92.933 8.338 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 72 91.684 9.602 -5.764 1.00 0.00 H new ATOM 1152 N LEU A 73 90.218 4.773 -5.906 1.00 0.00 N ATOM 1153 CA LEU A 73 90.532 3.419 -6.210 1.00 0.00 C ATOM 1154 C LEU A 73 91.146 3.424 -7.570 1.00 0.00 C ATOM 1155 O LEU A 73 90.441 3.736 -8.535 1.00 0.00 O ATOM 1156 CB LEU A 73 89.177 2.682 -6.218 1.00 0.00 C ATOM 1157 CG LEU A 73 89.177 1.196 -6.378 1.00 0.00 C ATOM 1158 CD1 LEU A 73 90.026 0.550 -5.334 1.00 0.00 C ATOM 1159 CD2 LEU A 73 87.752 0.680 -6.335 1.00 0.00 C ATOM 0 H LEU A 73 89.228 4.912 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 73 91.218 2.943 -5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 73 88.667 2.915 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 73 88.575 3.103 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 73 89.607 0.940 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 73 90.011 -0.531 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 73 91.050 0.912 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 73 89.638 0.796 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 73 87.754 -0.404 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 73 87.299 0.941 -5.379 1.00 0.00 H new ATOM 0 HD23 LEU A 73 87.177 1.131 -7.144 1.00 0.00 H new ATOM 1171 N GLY A 74 92.476 3.084 -7.630 1.00 0.00 N ATOM 1172 CA GLY A 74 93.318 3.226 -8.859 1.00 0.00 C ATOM 1173 C GLY A 74 92.894 4.364 -9.726 1.00 0.00 C ATOM 1174 O GLY A 74 92.837 4.227 -10.915 1.00 0.00 O ATOM 0 H GLY A 74 92.987 2.707 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 74 94.358 3.367 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 74 93.271 2.301 -9.434 1.00 0.00 H new ATOM 1178 N HIS A 75 92.541 5.486 -9.046 1.00 0.00 N ATOM 1179 CA HIS A 75 92.109 6.765 -9.639 1.00 0.00 C ATOM 1180 C HIS A 75 93.056 6.994 -10.761 1.00 0.00 C ATOM 1181 O HIS A 75 92.676 7.035 -11.920 1.00 0.00 O ATOM 1182 CB HIS A 75 92.216 7.816 -8.501 1.00 0.00 C ATOM 1183 CG HIS A 75 91.408 9.062 -8.599 1.00 0.00 C ATOM 1184 ND1 HIS A 75 90.155 9.140 -9.129 1.00 0.00 N ATOM 1185 CD2 HIS A 75 91.678 10.288 -8.108 1.00 0.00 C ATOM 1186 CE1 HIS A 75 89.721 10.386 -8.942 1.00 0.00 C ATOM 1187 NE2 HIS A 75 90.617 11.123 -8.332 1.00 0.00 N ATOM 0 H HIS A 75 92.553 5.518 -8.027 1.00 0.00 H new ATOM 0 HA HIS A 75 91.091 6.802 -10.026 1.00 0.00 H new ATOM 0 HB2 HIS A 75 91.948 7.321 -7.568 1.00 0.00 H new ATOM 0 HB3 HIS A 75 93.263 8.107 -8.418 1.00 0.00 H new ATOM 0 HD2 HIS A 75 92.595 10.569 -7.612 1.00 0.00 H new ATOM 0 HE1 HIS A 75 88.751 10.744 -9.254 1.00 0.00 H new ATOM 0 HE2 HIS A 75 90.540 12.108 -8.079 1.00 0.00 H new ATOM 1195 N THR A 76 94.235 7.197 -10.357 1.00 0.00 N ATOM 1196 CA THR A 76 95.440 6.899 -11.019 1.00 0.00 C ATOM 1197 C THR A 76 96.426 7.041 -9.947 1.00 0.00 C ATOM 1198 O THR A 76 96.186 7.880 -9.055 1.00 0.00 O ATOM 1199 CB THR A 76 95.849 7.750 -12.250 1.00 0.00 C ATOM 1200 OG1 THR A 76 95.742 9.135 -11.985 1.00 0.00 O ATOM 1201 CG2 THR A 76 95.097 7.346 -13.513 1.00 0.00 C ATOM 0 H THR A 76 94.407 7.626 -9.448 1.00 0.00 H new ATOM 0 HA THR A 76 95.348 5.919 -11.487 1.00 0.00 H new ATOM 0 HB THR A 76 96.901 7.540 -12.443 1.00 0.00 H new ATOM 0 HG1 THR A 76 95.564 9.615 -12.821 1.00 0.00 H new ATOM 0 HG21 THR A 76 95.420 7.972 -14.345 1.00 0.00 H new ATOM 0 HG22 THR A 76 95.306 6.301 -13.743 1.00 0.00 H new ATOM 0 HG23 THR A 76 94.026 7.476 -13.356 1.00 0.00 H new ATOM 1209 N HIS A 77 97.432 6.251 -9.902 1.00 0.00 N ATOM 1210 CA HIS A 77 98.498 6.495 -8.942 1.00 0.00 C ATOM 1211 C HIS A 77 99.004 7.969 -9.039 1.00 0.00 C ATOM 1212 O HIS A 77 99.394 8.571 -8.053 1.00 0.00 O ATOM 1213 CB HIS A 77 99.630 5.523 -9.126 1.00 0.00 C ATOM 1214 CG HIS A 77 100.152 5.029 -7.846 1.00 0.00 C ATOM 1215 ND1 HIS A 77 101.372 5.362 -7.325 1.00 0.00 N ATOM 1216 CD2 HIS A 77 99.578 4.188 -6.973 1.00 0.00 C ATOM 1217 CE1 HIS A 77 101.505 4.724 -6.171 1.00 0.00 C ATOM 1218 NE2 HIS A 77 100.437 3.991 -5.907 1.00 0.00 N ATOM 0 H HIS A 77 97.561 5.435 -10.500 1.00 0.00 H new ATOM 0 HA HIS A 77 98.090 6.341 -7.943 1.00 0.00 H new ATOM 0 HB2 HIS A 77 99.288 4.680 -9.726 1.00 0.00 H new ATOM 0 HB3 HIS A 77 100.434 6.005 -9.682 1.00 0.00 H new ATOM 0 HD2 HIS A 77 98.603 3.737 -7.084 1.00 0.00 H new ATOM 0 HE1 HIS A 77 102.372 4.794 -5.531 1.00 0.00 H new ATOM 0 HE2 HIS A 77 100.279 3.403 -5.088 1.00 0.00 H new ATOM 1226 N ALA A 78 98.947 8.540 -10.230 1.00 0.00 N ATOM 1227 CA ALA A 78 99.268 9.948 -10.409 1.00 0.00 C ATOM 1228 C ALA A 78 98.271 10.846 -9.635 1.00 0.00 C ATOM 1229 O ALA A 78 98.683 11.753 -8.900 1.00 0.00 O ATOM 1230 CB ALA A 78 99.279 10.304 -11.881 1.00 0.00 C ATOM 0 H ALA A 78 98.682 8.053 -11.086 1.00 0.00 H new ATOM 0 HA ALA A 78 100.264 10.126 -10.003 1.00 0.00 H new ATOM 0 HB1 ALA A 78 99.521 11.360 -11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 78 100.027 9.701 -12.395 1.00 0.00 H new ATOM 0 HB3 ALA A 78 98.297 10.107 -12.310 1.00 0.00 H new ATOM 1236 N GLN A 79 96.971 10.558 -9.766 1.00 0.00 N ATOM 1237 CA GLN A 79 95.934 11.315 -9.089 1.00 0.00 C ATOM 1238 C GLN A 79 95.994 11.177 -7.583 1.00 0.00 C ATOM 1239 O GLN A 79 95.837 12.155 -6.862 1.00 0.00 O ATOM 1240 CB GLN A 79 94.571 10.913 -9.588 1.00 0.00 C ATOM 1241 CG GLN A 79 94.210 11.553 -10.907 1.00 0.00 C ATOM 1242 CD GLN A 79 94.180 13.067 -10.846 1.00 0.00 C ATOM 1243 OE1 GLN A 79 93.156 13.665 -10.531 1.00 0.00 O ATOM 1244 NE2 GLN A 79 95.265 13.697 -11.191 1.00 0.00 N ATOM 0 H GLN A 79 96.618 9.795 -10.344 1.00 0.00 H new ATOM 0 HA GLN A 79 96.114 12.364 -9.324 1.00 0.00 H new ATOM 0 HB2 GLN A 79 94.535 9.829 -9.695 1.00 0.00 H new ATOM 0 HB3 GLN A 79 93.823 11.184 -8.843 1.00 0.00 H new ATOM 0 HG2 GLN A 79 94.929 11.240 -11.664 1.00 0.00 H new ATOM 0 HG3 GLN A 79 93.233 11.189 -11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 79 96.100 13.171 -11.448 1.00 0.00 H new ATOM 0 HE22 GLN A 79 95.280 14.717 -11.205 1.00 0.00 H new ATOM 1253 N VAL A 80 96.227 9.968 -7.115 1.00 0.00 N ATOM 1254 CA VAL A 80 96.302 9.698 -5.693 1.00 0.00 C ATOM 1255 C VAL A 80 97.452 10.469 -5.043 1.00 0.00 C ATOM 1256 O VAL A 80 97.267 11.094 -3.997 1.00 0.00 O ATOM 1257 CB VAL A 80 96.415 8.175 -5.383 1.00 0.00 C ATOM 1258 CG1 VAL A 80 95.294 7.402 -5.994 1.00 0.00 C ATOM 1259 CG2 VAL A 80 97.752 7.584 -5.750 1.00 0.00 C ATOM 0 H VAL A 80 96.369 9.149 -7.706 1.00 0.00 H new ATOM 0 HA VAL A 80 95.364 10.046 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 80 96.334 8.089 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 80 95.409 6.345 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 80 94.345 7.763 -5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 80 95.309 7.533 -7.076 1.00 0.00 H new ATOM 0 HG21 VAL A 80 97.759 6.522 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 80 97.926 7.713 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 80 98.539 8.090 -5.191 1.00 0.00 H new ATOM 1269 N VAL A 81 98.619 10.479 -5.704 1.00 0.00 N ATOM 1270 CA VAL A 81 99.769 11.177 -5.182 1.00 0.00 C ATOM 1271 C VAL A 81 99.495 12.659 -5.177 1.00 0.00 C ATOM 1272 O VAL A 81 99.795 13.333 -4.208 1.00 0.00 O ATOM 1273 CB VAL A 81 101.086 10.837 -5.947 1.00 0.00 C ATOM 1274 CG1 VAL A 81 102.257 11.668 -5.427 1.00 0.00 C ATOM 1275 CG2 VAL A 81 101.410 9.358 -5.792 1.00 0.00 C ATOM 0 H VAL A 81 98.776 10.009 -6.596 1.00 0.00 H new ATOM 0 HA VAL A 81 99.932 10.837 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 81 100.933 11.074 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 81 103.160 11.409 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 81 102.040 12.727 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 81 102.408 11.461 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 81 102.331 9.129 -6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 81 101.538 9.122 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 81 100.594 8.762 -6.200 1.00 0.00 H new ATOM 1285 N LYS A 82 98.834 13.145 -6.228 1.00 0.00 N ATOM 1286 CA LYS A 82 98.456 14.529 -6.304 1.00 0.00 C ATOM 1287 C LYS A 82 97.514 14.907 -5.151 1.00 0.00 C ATOM 1288 O LYS A 82 97.670 15.942 -4.570 1.00 0.00 O ATOM 1289 CB LYS A 82 97.893 14.856 -7.730 1.00 0.00 C ATOM 1290 CG LYS A 82 96.773 15.885 -7.790 1.00 0.00 C ATOM 1291 CD LYS A 82 95.428 15.228 -7.528 1.00 0.00 C ATOM 1292 CE LYS A 82 94.417 16.199 -6.976 1.00 0.00 C ATOM 1293 NZ LYS A 82 94.012 17.234 -7.942 1.00 0.00 N ATOM 0 H LYS A 82 98.555 12.586 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 82 99.335 15.160 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 82 98.716 15.209 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 82 97.532 13.930 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 82 96.951 16.668 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 82 96.765 16.365 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 82 95.048 14.799 -8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 82 95.559 14.404 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.534 15.648 -6.653 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.833 16.681 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.316 17.868 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.846 17.783 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.587 16.782 -8.777 1.00 0.00 H new ATOM 1307 N ILE A 83 96.560 14.040 -4.826 1.00 0.00 N ATOM 1308 CA ILE A 83 95.627 14.275 -3.723 1.00 0.00 C ATOM 1309 C ILE A 83 96.357 14.377 -2.376 1.00 0.00 C ATOM 1310 O ILE A 83 96.068 15.240 -1.560 1.00 0.00 O ATOM 1311 CB ILE A 83 94.519 13.193 -3.698 1.00 0.00 C ATOM 1312 CG1 ILE A 83 93.567 13.412 -4.874 1.00 0.00 C ATOM 1313 CG2 ILE A 83 93.768 13.151 -2.364 1.00 0.00 C ATOM 1314 CD1 ILE A 83 92.422 12.440 -4.932 1.00 0.00 C ATOM 0 H ILE A 83 96.410 13.158 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 83 95.144 15.237 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 83 94.995 12.218 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 83 93.167 14.424 -4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 83 94.134 13.344 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 83 93.003 12.375 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 83 94.469 12.931 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 83 93.297 14.117 -2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 83 91.796 12.666 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 83 92.810 11.425 -5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 83 91.828 12.523 -4.022 1.00 0.00 H new ATOM 1326 N PHE A 84 97.316 13.535 -2.192 1.00 0.00 N ATOM 1327 CA PHE A 84 98.139 13.541 -0.977 1.00 0.00 C ATOM 1328 C PHE A 84 99.051 14.747 -0.952 1.00 0.00 C ATOM 1329 O PHE A 84 99.315 15.312 0.097 1.00 0.00 O ATOM 1330 CB PHE A 84 98.934 12.243 -0.831 1.00 0.00 C ATOM 1331 CG PHE A 84 98.052 11.061 -0.611 1.00 0.00 C ATOM 1332 CD1 PHE A 84 96.985 11.150 0.264 1.00 0.00 C ATOM 1333 CD2 PHE A 84 98.263 9.877 -1.287 1.00 0.00 C ATOM 1334 CE1 PHE A 84 96.153 10.100 0.466 1.00 0.00 C ATOM 1335 CE2 PHE A 84 97.425 8.803 -1.093 1.00 0.00 C ATOM 1336 CZ PHE A 84 96.363 8.911 -0.213 1.00 0.00 C ATOM 0 H PHE A 84 97.571 12.813 -2.865 1.00 0.00 H new ATOM 0 HA PHE A 84 97.467 13.607 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 84 99.534 12.084 -1.727 1.00 0.00 H new ATOM 0 HB3 PHE A 84 99.628 12.336 0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 84 96.812 12.074 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 84 99.092 9.792 -1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 84 95.327 10.190 1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 84 97.596 7.879 -1.626 1.00 0.00 H new ATOM 0 HZ PHE A 84 95.701 8.072 -0.056 1.00 0.00 H new ATOM 1346 N GLN A 85 99.512 15.133 -2.117 1.00 0.00 N ATOM 1347 CA GLN A 85 100.291 16.328 -2.321 1.00 0.00 C ATOM 1348 C GLN A 85 99.434 17.586 -2.207 1.00 0.00 C ATOM 1349 O GLN A 85 99.941 18.693 -2.020 1.00 0.00 O ATOM 1350 CB GLN A 85 100.959 16.235 -3.665 1.00 0.00 C ATOM 1351 CG GLN A 85 102.182 15.357 -3.639 1.00 0.00 C ATOM 1352 CD GLN A 85 103.247 15.852 -2.668 1.00 0.00 C ATOM 1353 OE1 GLN A 85 103.365 17.054 -2.404 1.00 0.00 O ATOM 1354 NE2 GLN A 85 104.025 14.955 -2.141 1.00 0.00 N ATOM 0 H GLN A 85 99.350 14.607 -2.976 1.00 0.00 H new ATOM 0 HA GLN A 85 101.048 16.405 -1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 85 100.249 15.843 -4.394 1.00 0.00 H new ATOM 0 HB3 GLN A 85 101.240 17.234 -3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 85 101.890 14.344 -3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 85 102.607 15.305 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 85 103.903 13.971 -2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 85 104.758 15.235 -1.490 1.00 0.00 H new ATOM 1363 N SER A 86 98.148 17.396 -2.353 1.00 0.00 N ATOM 1364 CA SER A 86 97.154 18.423 -2.175 1.00 0.00 C ATOM 1365 C SER A 86 96.882 18.613 -0.680 1.00 0.00 C ATOM 1366 O SER A 86 96.490 19.691 -0.228 1.00 0.00 O ATOM 1367 CB SER A 86 95.877 18.003 -2.911 1.00 0.00 C ATOM 1368 OG SER A 86 96.052 18.049 -4.325 1.00 0.00 O ATOM 0 H SER A 86 97.751 16.492 -2.608 1.00 0.00 H new ATOM 0 HA SER A 86 97.506 19.370 -2.584 1.00 0.00 H new ATOM 0 HB2 SER A 86 95.597 16.993 -2.610 1.00 0.00 H new ATOM 0 HB3 SER A 86 95.056 18.660 -2.623 1.00 0.00 H new ATOM 0 HG SER A 86 96.450 17.208 -4.633 1.00 0.00 H new ATOM 1374 N ILE A 87 97.084 17.557 0.065 1.00 0.00 N ATOM 1375 CA ILE A 87 96.942 17.567 1.474 1.00 0.00 C ATOM 1376 C ILE A 87 98.248 18.051 2.120 1.00 0.00 C ATOM 1377 O ILE A 87 99.324 17.637 1.728 1.00 0.00 O ATOM 1378 CB ILE A 87 96.460 16.173 1.968 1.00 0.00 C ATOM 1379 CG1 ILE A 87 94.995 16.056 1.622 1.00 0.00 C ATOM 1380 CG2 ILE A 87 96.692 15.918 3.459 1.00 0.00 C ATOM 1381 CD1 ILE A 87 94.384 14.729 1.938 1.00 0.00 C ATOM 0 H ILE A 87 97.358 16.650 -0.314 1.00 0.00 H new ATOM 0 HA ILE A 87 96.172 18.274 1.782 1.00 0.00 H new ATOM 0 HB ILE A 87 97.056 15.410 1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 87 94.446 16.831 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 87 94.870 16.254 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 87 96.327 14.924 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 87 97.758 15.982 3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 87 96.156 16.666 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 87 93.331 14.737 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 87 94.903 13.948 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 87 94.472 14.533 3.007 1.00 0.00 H new ATOM 1393 N PRO A 88 98.164 18.941 3.088 1.00 0.00 N ATOM 1394 CA PRO A 88 99.328 19.590 3.685 1.00 0.00 C ATOM 1395 C PRO A 88 99.853 18.857 4.929 1.00 0.00 C ATOM 1396 O PRO A 88 99.173 18.018 5.501 1.00 0.00 O ATOM 1397 CB PRO A 88 98.772 20.957 4.083 1.00 0.00 C ATOM 1398 CG PRO A 88 97.257 20.811 4.098 1.00 0.00 C ATOM 1399 CD PRO A 88 96.937 19.385 3.732 1.00 0.00 C ATOM 0 HA PRO A 88 100.176 19.618 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 88 99.144 21.258 5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 88 99.082 21.725 3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.858 21.053 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.798 21.501 3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 88 96.700 18.784 4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 88 96.081 19.321 3.061 1.00 0.00 H new ATOM 1407 N ILE A 89 101.087 19.143 5.301 1.00 0.00 N ATOM 1408 CA ILE A 89 101.698 18.583 6.503 1.00 0.00 C ATOM 1409 C ILE A 89 100.940 19.001 7.710 1.00 0.00 C ATOM 1410 O ILE A 89 100.570 20.168 7.855 1.00 0.00 O ATOM 1411 CB ILE A 89 103.178 18.988 6.643 1.00 0.00 C ATOM 1412 CG1 ILE A 89 104.004 18.307 5.618 1.00 0.00 C ATOM 1413 CG2 ILE A 89 103.764 18.782 8.045 1.00 0.00 C ATOM 1414 CD1 ILE A 89 103.974 16.838 5.717 1.00 0.00 C ATOM 0 H ILE A 89 101.699 19.771 4.780 1.00 0.00 H new ATOM 0 HA ILE A 89 101.661 17.498 6.409 1.00 0.00 H new ATOM 0 HB ILE A 89 103.205 20.065 6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 89 103.657 18.603 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 89 105.035 18.648 5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 89 104.809 19.093 8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 89 103.203 19.378 8.765 1.00 0.00 H new ATOM 0 HG23 ILE A 89 103.697 17.728 8.316 1.00 0.00 H new ATOM 0 HD11 ILE A 89 104.601 16.408 4.936 1.00 0.00 H new ATOM 0 HD12 ILE A 89 104.349 16.531 6.693 1.00 0.00 H new ATOM 0 HD13 ILE A 89 102.950 16.486 5.595 1.00 0.00 H new ATOM 1426 N GLY A 90 100.681 18.057 8.549 1.00 0.00 N ATOM 1427 CA GLY A 90 99.926 18.351 9.744 1.00 0.00 C ATOM 1428 C GLY A 90 98.449 18.054 9.569 1.00 0.00 C ATOM 1429 O GLY A 90 97.610 18.487 10.383 1.00 0.00 O ATOM 0 H GLY A 90 100.971 17.085 8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 90 100.318 17.764 10.574 1.00 0.00 H new ATOM 0 HA3 GLY A 90 100.056 19.401 10.006 1.00 0.00 H new ATOM 1433 N ALA A 91 98.119 17.361 8.508 1.00 0.00 N ATOM 1434 CA ALA A 91 96.719 17.104 8.171 1.00 0.00 C ATOM 1435 C ALA A 91 96.325 15.717 8.598 1.00 0.00 C ATOM 1436 O ALA A 91 97.040 15.094 9.331 1.00 0.00 O ATOM 1437 CB ALA A 91 96.530 17.256 6.694 1.00 0.00 C ATOM 0 H ALA A 91 98.792 16.960 7.855 1.00 0.00 H new ATOM 0 HA ALA A 91 96.087 17.821 8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 91 95.488 17.065 6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 91 96.797 18.270 6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 91 97.168 16.544 6.170 1.00 0.00 H new ATOM 1443 N SER A 92 95.168 15.268 8.194 1.00 0.00 N ATOM 1444 CA SER A 92 94.774 13.906 8.419 1.00 0.00 C ATOM 1445 C SER A 92 93.845 13.546 7.312 1.00 0.00 C ATOM 1446 O SER A 92 93.307 14.449 6.666 1.00 0.00 O ATOM 1447 CB SER A 92 94.080 13.722 9.742 1.00 0.00 C ATOM 1448 OG SER A 92 94.162 12.382 10.185 1.00 0.00 O ATOM 0 H SER A 92 94.476 15.833 7.702 1.00 0.00 H new ATOM 0 HA SER A 92 95.658 13.268 8.442 1.00 0.00 H new ATOM 0 HB2 SER A 92 94.529 14.381 10.485 1.00 0.00 H new ATOM 0 HB3 SER A 92 93.034 14.013 9.649 1.00 0.00 H new ATOM 0 HG SER A 92 93.760 12.307 11.076 1.00 0.00 H new ATOM 1454 N VAL A 93 93.657 12.257 7.045 1.00 0.00 N ATOM 1455 CA VAL A 93 92.828 11.887 5.905 1.00 0.00 C ATOM 1456 C VAL A 93 92.094 10.627 6.126 1.00 0.00 C ATOM 1457 O VAL A 93 92.718 9.616 6.360 1.00 0.00 O ATOM 1458 CB VAL A 93 93.634 11.590 4.661 1.00 0.00 C ATOM 1459 CG1 VAL A 93 92.891 11.777 3.414 1.00 0.00 C ATOM 1460 CG2 VAL A 93 94.964 12.181 4.657 1.00 0.00 C ATOM 0 H VAL A 93 94.049 11.481 7.578 1.00 0.00 H new ATOM 0 HA VAL A 93 92.173 12.750 5.787 1.00 0.00 H new ATOM 0 HB VAL A 93 93.821 10.517 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 93 93.537 11.544 2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 93 92.026 11.114 3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 93 92.556 12.812 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 93 95.475 11.920 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 93 94.881 13.265 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 93 95.534 11.801 5.505 1.00 0.00 H new ATOM 1470 N ASP A 94 90.807 10.652 5.959 1.00 0.00 N ATOM 1471 CA ASP A 94 90.054 9.438 6.048 1.00 0.00 C ATOM 1472 C ASP A 94 90.191 8.690 4.720 1.00 0.00 C ATOM 1473 O ASP A 94 89.787 9.174 3.654 1.00 0.00 O ATOM 1474 CB ASP A 94 88.588 9.670 6.402 1.00 0.00 C ATOM 1475 CG ASP A 94 88.375 10.440 7.676 1.00 0.00 C ATOM 1476 OD1 ASP A 94 88.297 9.823 8.750 1.00 0.00 O ATOM 1477 OD2 ASP A 94 88.250 11.693 7.617 1.00 0.00 O ATOM 0 H ASP A 94 90.260 11.490 5.762 1.00 0.00 H new ATOM 0 HA ASP A 94 90.458 8.840 6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 94 88.109 10.206 5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 94 88.089 8.704 6.487 1.00 0.00 H new ATOM 1482 N LEU A 95 90.843 7.588 4.809 1.00 0.00 N ATOM 1483 CA LEU A 95 91.172 6.702 3.726 1.00 0.00 C ATOM 1484 C LEU A 95 90.360 5.412 3.842 1.00 0.00 C ATOM 1485 O LEU A 95 90.108 4.917 4.957 1.00 0.00 O ATOM 1486 CB LEU A 95 92.653 6.325 3.849 1.00 0.00 C ATOM 1487 CG LEU A 95 93.649 7.480 3.957 1.00 0.00 C ATOM 1488 CD1 LEU A 95 95.032 6.956 4.254 1.00 0.00 C ATOM 1489 CD2 LEU A 95 93.674 8.275 2.686 1.00 0.00 C ATOM 0 H LEU A 95 91.192 7.246 5.705 1.00 0.00 H new ATOM 0 HA LEU A 95 90.957 7.195 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 95 92.771 5.691 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 95 92.924 5.722 2.982 1.00 0.00 H new ATOM 0 HG LEU A 95 93.330 8.128 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 95 95.729 7.791 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 95 95.019 6.409 5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 95 95.348 6.289 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 95 94.389 9.092 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 95 93.970 7.630 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 95 92.682 8.682 2.492 1.00 0.00 H new ATOM 1501 N GLU A 96 89.978 4.871 2.711 1.00 0.00 N ATOM 1502 CA GLU A 96 89.290 3.596 2.642 1.00 0.00 C ATOM 1503 C GLU A 96 90.318 2.555 2.178 1.00 0.00 C ATOM 1504 O GLU A 96 90.912 2.702 1.087 1.00 0.00 O ATOM 1505 CB GLU A 96 88.163 3.676 1.614 1.00 0.00 C ATOM 1506 CG GLU A 96 87.194 2.495 1.585 1.00 0.00 C ATOM 1507 CD GLU A 96 86.191 2.521 2.718 1.00 0.00 C ATOM 1508 OE1 GLU A 96 85.357 3.462 2.757 1.00 0.00 O ATOM 1509 OE2 GLU A 96 86.146 1.584 3.530 1.00 0.00 O ATOM 0 H GLU A 96 90.135 5.304 1.801 1.00 0.00 H new ATOM 0 HA GLU A 96 88.866 3.332 3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 96 87.591 4.585 1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 96 88.608 3.779 0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 96 86.660 2.495 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 96 87.762 1.566 1.632 1.00 0.00 H new ATOM 1516 N LEU A 97 90.557 1.580 3.011 1.00 0.00 N ATOM 1517 CA LEU A 97 91.482 0.490 2.769 1.00 0.00 C ATOM 1518 C LEU A 97 90.690 -0.762 2.462 1.00 0.00 C ATOM 1519 O LEU A 97 89.488 -0.830 2.736 1.00 0.00 O ATOM 1520 CB LEU A 97 92.303 0.170 4.017 1.00 0.00 C ATOM 1521 CG LEU A 97 93.055 1.286 4.685 1.00 0.00 C ATOM 1522 CD1 LEU A 97 93.479 0.824 6.064 1.00 0.00 C ATOM 1523 CD2 LEU A 97 94.275 1.629 3.871 1.00 0.00 C ATOM 0 H LEU A 97 90.096 1.514 3.918 1.00 0.00 H new ATOM 0 HA LEU A 97 92.136 0.789 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 97 91.629 -0.264 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 97 93.024 -0.603 3.751 1.00 0.00 H new ATOM 0 HG LEU A 97 92.421 2.169 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 97 94.027 1.623 6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 97 92.596 0.569 6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 97 94.120 -0.053 5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 97 94.820 2.439 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 97 94.919 0.753 3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 97 93.970 1.944 2.873 1.00 0.00 H new ATOM 1535 N CYS A 98 91.363 -1.736 1.934 1.00 0.00 N ATOM 1536 CA CYS A 98 90.786 -2.999 1.633 1.00 0.00 C ATOM 1537 C CYS A 98 91.771 -4.126 1.905 1.00 0.00 C ATOM 1538 O CYS A 98 92.770 -4.264 1.253 1.00 0.00 O ATOM 1539 CB CYS A 98 90.288 -3.031 0.187 1.00 0.00 C ATOM 1540 SG CYS A 98 89.775 -4.660 -0.418 1.00 0.00 S ATOM 0 H CYS A 98 92.353 -1.668 1.696 1.00 0.00 H new ATOM 0 HA CYS A 98 89.927 -3.149 2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 98 89.446 -2.345 0.095 1.00 0.00 H new ATOM 0 HB3 CYS A 98 91.079 -2.653 -0.461 1.00 0.00 H new ATOM 0 HG CYS A 98 88.573 -4.582 -0.908 1.00 0.00 H new ATOM 1546 N ARG A 99 91.510 -4.895 2.876 1.00 0.00 N ATOM 1547 CA ARG A 99 92.342 -6.039 3.129 1.00 0.00 C ATOM 1548 C ARG A 99 91.783 -7.272 2.552 1.00 0.00 C ATOM 1549 O ARG A 99 90.604 -7.585 2.716 1.00 0.00 O ATOM 1550 CB ARG A 99 92.778 -6.225 4.569 1.00 0.00 C ATOM 1551 CG ARG A 99 94.098 -5.544 4.835 1.00 0.00 C ATOM 1552 CD ARG A 99 94.556 -5.679 6.261 1.00 0.00 C ATOM 1553 NE ARG A 99 93.556 -5.175 7.188 1.00 0.00 N ATOM 1554 CZ ARG A 99 93.754 -4.204 8.102 1.00 0.00 C ATOM 1555 NH1 ARG A 99 94.728 -3.325 7.933 1.00 0.00 N ATOM 1556 NH2 ARG A 99 92.859 -4.010 9.072 1.00 0.00 N ATOM 0 H ARG A 99 90.731 -4.773 3.523 1.00 0.00 H new ATOM 0 HA ARG A 99 93.269 -5.812 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 99 92.017 -5.821 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 99 92.864 -7.289 4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 99 94.856 -5.965 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 99 94.011 -4.486 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 99 94.763 -6.726 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 99 95.490 -5.134 6.398 1.00 0.00 H new ATOM 0 HE ARG A 99 92.626 -5.591 7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 99 95.329 -3.382 7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 99 94.878 -2.590 8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 99 92.026 -4.596 9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 99 93.008 -3.276 9.764 1.00 0.00 H new ATOM 1570 N GLY A 100 92.611 -7.940 1.845 1.00 0.00 N ATOM 1571 CA GLY A 100 92.218 -9.165 1.206 1.00 0.00 C ATOM 1572 C GLY A 100 93.009 -9.416 -0.019 1.00 0.00 C ATOM 1573 O GLY A 100 93.063 -10.540 -0.520 1.00 0.00 O ATOM 0 H GLY A 100 93.580 -7.667 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 100 92.346 -9.996 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 100 91.159 -9.121 0.954 1.00 0.00 H new ATOM 1577 N TYR A 101 93.634 -8.388 -0.515 1.00 0.00 N ATOM 1578 CA TYR A 101 94.447 -8.534 -1.688 1.00 0.00 C ATOM 1579 C TYR A 101 95.877 -8.876 -1.315 1.00 0.00 C ATOM 1580 O TYR A 101 96.336 -8.513 -0.233 1.00 0.00 O ATOM 1581 CB TYR A 101 94.346 -7.302 -2.587 1.00 0.00 C ATOM 1582 CG TYR A 101 93.050 -7.268 -3.358 1.00 0.00 C ATOM 1583 CD1 TYR A 101 91.856 -6.906 -2.750 1.00 0.00 C ATOM 1584 CD2 TYR A 101 93.021 -7.630 -4.693 1.00 0.00 C ATOM 1585 CE1 TYR A 101 90.675 -6.908 -3.448 1.00 0.00 C ATOM 1586 CE2 TYR A 101 91.847 -7.628 -5.403 1.00 0.00 C ATOM 1587 CZ TYR A 101 90.675 -7.270 -4.781 1.00 0.00 C ATOM 1588 OH TYR A 101 89.496 -7.287 -5.499 1.00 0.00 O ATOM 0 H TYR A 101 93.597 -7.445 -0.129 1.00 0.00 H new ATOM 0 HA TYR A 101 94.066 -9.372 -2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 101 94.429 -6.402 -1.978 1.00 0.00 H new ATOM 0 HB3 TYR A 101 95.183 -7.293 -3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 101 91.857 -6.618 -1.709 1.00 0.00 H new ATOM 0 HD2 TYR A 101 93.938 -7.919 -5.185 1.00 0.00 H new ATOM 0 HE1 TYR A 101 89.753 -6.629 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 101 91.844 -7.907 -6.446 1.00 0.00 H new ATOM 0 HH TYR A 101 89.697 -7.335 -6.457 1.00 0.00 H new ATOM 1598 N PRO A 102 96.574 -9.645 -2.182 1.00 0.00 N ATOM 1599 CA PRO A 102 97.961 -10.051 -1.947 1.00 0.00 C ATOM 1600 C PRO A 102 98.861 -8.853 -1.724 1.00 0.00 C ATOM 1601 O PRO A 102 98.807 -7.879 -2.481 1.00 0.00 O ATOM 1602 CB PRO A 102 98.360 -10.739 -3.252 1.00 0.00 C ATOM 1603 CG PRO A 102 97.082 -11.198 -3.847 1.00 0.00 C ATOM 1604 CD PRO A 102 96.064 -10.174 -3.468 1.00 0.00 C ATOM 0 HA PRO A 102 98.055 -10.681 -1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 102 98.881 -10.051 -3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 102 99.033 -11.576 -3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 102 97.164 -11.285 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 102 96.806 -12.182 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 102 95.982 -9.390 -4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 102 95.073 -10.614 -3.357 1.00 0.00 H new