USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 568 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 Set 1.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN : amide:sc= -2.15 X(o=-2.2,f=-2.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 22:sc= 0.189 USER MOD Single : A 15 HIS : no HE2:sc= 0.308 K(o=0.31,f=-5.7!) USER MOD Single : A 24 ASN : amide:sc= -0.227 K(o=-0.23,f=-1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0382 X(o=-0.038,f=-0.31) USER MOD Single : A 63 HIS : no HD1:sc= -4.67! C(o=-4.7!,f=-4.2!) USER MOD Single : A 70 ASN :FLIP amide:sc= 0.445 F(o=-4.2!,f=0.45) USER MOD Single : A 75 SER OG : rot -91:sc= 0.208 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -2.04 F(o=-4.3!,f=-2) USER MOD Single : A 81 GLN : amide:sc= -0.0041 K(o=-0.0041,f=-1.9!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -92:sc= 1.11 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.006 -6.255 0.004 1.00 0.00 N ATOM 67 CA LYS A 8 -13.149 -5.338 -1.114 1.00 0.00 C ATOM 68 C LYS A 8 -11.771 -4.802 -1.507 1.00 0.00 C ATOM 69 O LYS A 8 -10.886 -4.675 -0.662 1.00 0.00 O ATOM 70 CB LYS A 8 -14.163 -4.241 -0.781 1.00 0.00 C ATOM 71 CG LYS A 8 -15.592 -4.787 -0.816 1.00 0.00 C ATOM 72 CD LYS A 8 -15.952 -5.466 0.507 1.00 0.00 C ATOM 73 CE LYS A 8 -16.812 -6.708 0.270 1.00 0.00 C ATOM 74 NZ LYS A 8 -17.832 -6.844 1.334 1.00 0.00 N ATOM 0 HA LYS A 8 -13.550 -5.858 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.950 -3.832 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.065 -3.422 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.291 -3.974 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.693 -5.500 -1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.041 -5.746 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.489 -4.764 1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.300 -6.640 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.180 -7.596 0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.407 -7.692 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.361 -6.931 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.446 -6.004 1.336 1.00 0.00 H new ATOM 88 N SER A 9 -11.632 -4.503 -2.791 1.00 0.00 N ATOM 89 CA SER A 9 -10.376 -3.984 -3.306 1.00 0.00 C ATOM 90 C SER A 9 -10.524 -2.499 -3.646 1.00 0.00 C ATOM 91 O SER A 9 -11.452 -2.110 -4.354 1.00 0.00 O ATOM 92 CB SER A 9 -9.921 -4.768 -4.539 1.00 0.00 C ATOM 93 OG SER A 9 -10.803 -4.586 -5.643 1.00 0.00 O ATOM 0 H SER A 9 -12.368 -4.610 -3.489 1.00 0.00 H new ATOM 0 HA SER A 9 -9.615 -4.100 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.917 -4.450 -4.821 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.862 -5.828 -4.293 1.00 0.00 H new ATOM 0 HG SER A 9 -11.308 -3.755 -5.525 1.00 0.00 H new ATOM 99 N LEU A 10 -9.595 -1.710 -3.126 1.00 0.00 N ATOM 100 CA LEU A 10 -9.610 -0.277 -3.366 1.00 0.00 C ATOM 101 C LEU A 10 -8.250 0.158 -3.915 1.00 0.00 C ATOM 102 O LEU A 10 -7.247 -0.524 -3.711 1.00 0.00 O ATOM 103 CB LEU A 10 -10.031 0.473 -2.101 1.00 0.00 C ATOM 104 CG LEU A 10 -10.879 -0.318 -1.102 1.00 0.00 C ATOM 105 CD1 LEU A 10 -10.817 0.313 0.290 1.00 0.00 C ATOM 106 CD2 LEU A 10 -12.318 -0.467 -1.601 1.00 0.00 C ATOM 0 H LEU A 10 -8.827 -2.036 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.354 -0.025 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.132 0.818 -1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.589 1.361 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.462 -1.322 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.428 -0.268 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.785 0.323 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.194 1.335 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.899 -1.033 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.762 0.520 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.320 -0.994 -2.555 1.00 0.00 H new ATOM 118 N THR A 11 -8.260 1.291 -4.601 1.00 0.00 N ATOM 119 CA THR A 11 -7.040 1.826 -5.181 1.00 0.00 C ATOM 120 C THR A 11 -6.603 3.089 -4.435 1.00 0.00 C ATOM 121 O THR A 11 -7.438 3.906 -4.051 1.00 0.00 O ATOM 122 CB THR A 11 -7.287 2.056 -6.673 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.221 1.041 -7.031 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.055 1.745 -7.525 1.00 0.00 C ATOM 0 H THR A 11 -9.094 1.854 -4.768 1.00 0.00 H new ATOM 0 HA THR A 11 -6.213 1.124 -5.078 1.00 0.00 H new ATOM 0 HB THR A 11 -7.589 3.091 -6.835 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.438 1.118 -7.984 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.284 1.925 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.229 2.387 -7.219 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.773 0.701 -7.389 1.00 0.00 H new ATOM 132 N LEU A 12 -5.296 3.208 -4.254 1.00 0.00 N ATOM 133 CA LEU A 12 -4.739 4.357 -3.561 1.00 0.00 C ATOM 134 C LEU A 12 -3.472 4.818 -4.285 1.00 0.00 C ATOM 135 O LEU A 12 -2.646 3.998 -4.681 1.00 0.00 O ATOM 136 CB LEU A 12 -4.520 4.037 -2.081 1.00 0.00 C ATOM 137 CG LEU A 12 -4.985 2.655 -1.618 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.812 1.676 -1.547 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.737 2.746 -0.289 1.00 0.00 C ATOM 0 H LEU A 12 -4.607 2.528 -4.575 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.440 5.191 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.456 4.133 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.037 4.790 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.684 2.265 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.171 0.702 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.359 1.579 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.069 2.049 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.056 1.750 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.080 3.167 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.611 3.386 -0.409 1.00 0.00 H new ATOM 151 N VAL A 13 -3.359 6.130 -4.434 1.00 0.00 N ATOM 152 CA VAL A 13 -2.207 6.710 -5.103 1.00 0.00 C ATOM 153 C VAL A 13 -1.204 7.195 -4.054 1.00 0.00 C ATOM 154 O VAL A 13 -1.509 8.089 -3.266 1.00 0.00 O ATOM 155 CB VAL A 13 -2.658 7.819 -6.056 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.356 9.200 -5.472 1.00 0.00 C ATOM 157 CG2 VAL A 13 -2.014 7.653 -7.434 1.00 0.00 C ATOM 0 H VAL A 13 -4.046 6.807 -4.103 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.703 5.961 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.738 7.737 -6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.686 9.970 -6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.883 9.318 -4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.283 9.298 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.351 8.454 -8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.929 7.696 -7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.302 6.691 -7.857 1.00 0.00 H new ATOM 167 N LEU A 14 -0.029 6.584 -4.079 1.00 0.00 N ATOM 168 CA LEU A 14 1.020 6.943 -3.139 1.00 0.00 C ATOM 169 C LEU A 14 2.073 7.790 -3.856 1.00 0.00 C ATOM 170 O LEU A 14 2.231 7.693 -5.072 1.00 0.00 O ATOM 171 CB LEU A 14 1.591 5.691 -2.470 1.00 0.00 C ATOM 172 CG LEU A 14 0.647 4.948 -1.522 1.00 0.00 C ATOM 173 CD1 LEU A 14 1.357 3.768 -0.855 1.00 0.00 C ATOM 174 CD2 LEU A 14 0.038 5.905 -0.494 1.00 0.00 C ATOM 0 H LEU A 14 0.220 5.843 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 14 0.615 7.552 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.909 4.999 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.484 5.976 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.175 4.539 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.664 3.257 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.703 3.072 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.210 4.133 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.629 5.352 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.834 6.363 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.525 6.683 -1.010 1.00 0.00 H new ATOM 186 N HIS A 15 2.767 8.603 -3.072 1.00 0.00 N ATOM 187 CA HIS A 15 3.800 9.467 -3.617 1.00 0.00 C ATOM 188 C HIS A 15 5.053 9.382 -2.744 1.00 0.00 C ATOM 189 O HIS A 15 5.005 8.860 -1.631 1.00 0.00 O ATOM 190 CB HIS A 15 3.283 10.898 -3.776 1.00 0.00 C ATOM 191 CG HIS A 15 2.308 11.077 -4.914 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.707 11.400 -6.200 1.00 0.00 N ATOM 193 CD2 HIS A 15 0.948 10.973 -4.948 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.628 11.485 -6.964 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.539 11.221 -6.186 1.00 0.00 N ATOM 0 H HIS A 15 2.634 8.681 -2.064 1.00 0.00 H new ATOM 0 HA HIS A 15 4.073 9.129 -4.617 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.801 11.204 -2.847 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.131 11.565 -3.930 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.668 11.547 -6.507 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.312 10.730 -4.110 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.613 11.722 -8.018 1.00 0.00 H new ATOM 268 N LEU A 21 7.580 7.282 1.283 1.00 0.00 N ATOM 269 CA LEU A 21 6.179 7.050 0.973 1.00 0.00 C ATOM 270 C LEU A 21 5.314 7.575 2.121 1.00 0.00 C ATOM 271 O LEU A 21 4.262 8.169 1.888 1.00 0.00 O ATOM 272 CB LEU A 21 5.940 5.575 0.648 1.00 0.00 C ATOM 273 CG LEU A 21 6.437 5.100 -0.719 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.637 5.750 -1.850 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.941 5.341 -0.869 1.00 0.00 C ATOM 0 HA LEU A 21 5.890 7.601 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.422 4.971 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.870 5.378 0.712 1.00 0.00 H new ATOM 0 HG LEU A 21 6.274 4.024 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.011 5.395 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.584 5.485 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.745 6.833 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.269 4.995 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.150 6.406 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.476 4.794 -0.093 1.00 0.00 H new ATOM 287 N GLY A 22 5.788 7.337 3.334 1.00 0.00 N ATOM 288 CA GLY A 22 5.071 7.778 4.519 1.00 0.00 C ATOM 289 C GLY A 22 4.307 6.619 5.161 1.00 0.00 C ATOM 290 O GLY A 22 3.147 6.770 5.541 1.00 0.00 O ATOM 0 H GLY A 22 6.661 6.844 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.774 8.198 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.375 8.573 4.252 1.00 0.00 H new ATOM 294 N PHE A 23 4.988 5.487 5.261 1.00 0.00 N ATOM 295 CA PHE A 23 4.387 4.302 5.851 1.00 0.00 C ATOM 296 C PHE A 23 5.381 3.139 5.877 1.00 0.00 C ATOM 297 O PHE A 23 6.503 3.266 5.389 1.00 0.00 O ATOM 298 CB PHE A 23 3.196 3.920 4.971 1.00 0.00 C ATOM 299 CG PHE A 23 3.572 3.101 3.735 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.423 3.619 2.809 1.00 0.00 C ATOM 301 CD2 PHE A 23 3.057 1.854 3.562 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.773 2.859 1.661 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.407 1.094 2.415 1.00 0.00 C ATOM 304 CZ PHE A 23 4.257 1.612 1.489 1.00 0.00 C ATOM 0 H PHE A 23 5.950 5.365 4.944 1.00 0.00 H new ATOM 0 HA PHE A 23 4.084 4.509 6.877 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.484 3.351 5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.688 4.829 4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.833 4.609 2.947 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.382 1.442 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.448 3.271 0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.998 0.104 2.278 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.523 1.033 0.617 1.00 0.00 H new ATOM 314 N ASN A 24 4.933 2.032 6.451 1.00 0.00 N ATOM 315 CA ASN A 24 5.768 0.848 6.547 1.00 0.00 C ATOM 316 C ASN A 24 4.909 -0.397 6.316 1.00 0.00 C ATOM 317 O ASN A 24 3.682 -0.326 6.361 1.00 0.00 O ATOM 318 CB ASN A 24 6.404 0.733 7.933 1.00 0.00 C ATOM 319 CG ASN A 24 7.931 0.746 7.839 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.519 1.342 6.952 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.539 0.057 8.801 1.00 0.00 N ATOM 0 H ASN A 24 4.002 1.931 6.854 1.00 0.00 H new ATOM 0 HA ASN A 24 6.554 0.928 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.068 1.558 8.561 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.074 -0.188 8.413 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.557 0.005 8.826 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.987 -0.419 9.514 1.00 0.00 H new ATOM 328 N ILE A 25 5.588 -1.509 6.075 1.00 0.00 N ATOM 329 CA ILE A 25 4.902 -2.768 5.837 1.00 0.00 C ATOM 330 C ILE A 25 5.446 -3.829 6.796 1.00 0.00 C ATOM 331 O ILE A 25 6.520 -3.659 7.371 1.00 0.00 O ATOM 332 CB ILE A 25 5.003 -3.163 4.362 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.312 -2.664 3.749 1.00 0.00 C ATOM 334 CG2 ILE A 25 3.781 -2.676 3.580 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.502 -3.218 2.336 1.00 0.00 C ATOM 0 H ILE A 25 6.606 -1.564 6.039 1.00 0.00 H new ATOM 0 HA ILE A 25 3.837 -2.666 6.044 1.00 0.00 H new ATOM 0 HB ILE A 25 5.013 -4.251 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.312 -1.574 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.150 -2.965 4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.877 -2.969 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.879 -3.121 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.715 -1.590 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.440 -2.848 1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.526 -4.307 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.675 -2.895 1.704 1.00 0.00 H new ATOM 347 N ILE A 26 4.680 -4.901 6.938 1.00 0.00 N ATOM 348 CA ILE A 26 5.072 -5.989 7.817 1.00 0.00 C ATOM 349 C ILE A 26 4.885 -7.321 7.087 1.00 0.00 C ATOM 350 O ILE A 26 4.164 -7.392 6.094 1.00 0.00 O ATOM 351 CB ILE A 26 4.316 -5.904 9.145 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.941 -6.565 9.036 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.220 -4.456 9.629 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.292 -6.711 10.413 1.00 0.00 C ATOM 0 H ILE A 26 3.790 -5.039 6.459 1.00 0.00 H new ATOM 0 HA ILE A 26 6.129 -5.910 8.073 1.00 0.00 H new ATOM 0 HB ILE A 26 4.880 -6.457 9.896 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.298 -5.970 8.388 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.041 -7.546 8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.678 -4.423 10.574 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.223 -4.053 9.771 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.691 -3.859 8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.316 -7.184 10.307 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.926 -7.327 11.051 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.171 -5.726 10.865 1.00 0.00 H new ATOM 555 N GLY A 42 2.890 -12.232 3.735 1.00 0.00 N ATOM 556 CA GLY A 42 1.849 -11.239 3.535 1.00 0.00 C ATOM 557 C GLY A 42 2.360 -9.834 3.863 1.00 0.00 C ATOM 558 O GLY A 42 3.041 -9.636 4.868 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.504 -11.272 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.991 -11.474 4.165 1.00 0.00 H new ATOM 562 N ILE A 43 2.012 -8.895 2.995 1.00 0.00 N ATOM 563 CA ILE A 43 2.428 -7.515 3.179 1.00 0.00 C ATOM 564 C ILE A 43 1.257 -6.705 3.740 1.00 0.00 C ATOM 565 O ILE A 43 0.211 -6.596 3.101 1.00 0.00 O ATOM 566 CB ILE A 43 3.000 -6.949 1.878 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.056 -7.887 1.290 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.542 -5.534 2.087 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.068 -8.310 2.357 1.00 0.00 C ATOM 0 H ILE A 43 1.447 -9.063 2.163 1.00 0.00 H new ATOM 0 HA ILE A 43 3.237 -7.455 3.908 1.00 0.00 H new ATOM 0 HB ILE A 43 2.191 -6.879 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.572 -8.770 0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.573 -7.389 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.943 -5.155 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.737 -4.883 2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.333 -5.554 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.808 -8.976 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.568 -7.427 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.550 -8.829 3.164 1.00 0.00 H new ATOM 581 N PHE A 44 1.471 -6.158 4.927 1.00 0.00 N ATOM 582 CA PHE A 44 0.447 -5.362 5.581 1.00 0.00 C ATOM 583 C PHE A 44 1.034 -4.064 6.138 1.00 0.00 C ATOM 584 O PHE A 44 2.221 -4.001 6.456 1.00 0.00 O ATOM 585 CB PHE A 44 -0.100 -6.199 6.738 1.00 0.00 C ATOM 586 CG PHE A 44 -0.927 -7.408 6.296 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.305 -8.524 5.831 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.285 -7.366 6.367 1.00 0.00 C ATOM 589 CE1 PHE A 44 -1.073 -9.646 5.420 1.00 0.00 C ATOM 590 CE2 PHE A 44 -3.052 -8.488 5.957 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.430 -9.604 5.492 1.00 0.00 C ATOM 0 H PHE A 44 2.340 -6.251 5.454 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.333 -5.099 4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.734 -6.546 7.348 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.716 -5.563 7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.773 -8.557 5.774 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.779 -6.479 6.735 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.579 -10.532 5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.130 -8.455 6.014 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.014 -10.457 5.180 1.00 0.00 H new ATOM 601 N VAL A 45 0.176 -3.060 6.241 1.00 0.00 N ATOM 602 CA VAL A 45 0.595 -1.767 6.755 1.00 0.00 C ATOM 603 C VAL A 45 0.404 -1.740 8.273 1.00 0.00 C ATOM 604 O VAL A 45 -0.695 -1.983 8.768 1.00 0.00 O ATOM 605 CB VAL A 45 -0.163 -0.648 6.037 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.156 0.715 6.657 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.142 -0.654 4.538 1.00 0.00 C ATOM 0 H VAL A 45 -0.808 -3.116 5.977 1.00 0.00 H new ATOM 0 HA VAL A 45 1.654 -1.603 6.558 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.230 -0.831 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.395 1.493 6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.135 0.714 7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.225 0.910 6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.409 0.151 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.211 -0.507 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.158 -1.610 4.109 1.00 0.00 H new ATOM 617 N SER A 46 1.492 -1.443 8.969 1.00 0.00 N ATOM 618 CA SER A 46 1.459 -1.381 10.420 1.00 0.00 C ATOM 619 C SER A 46 1.691 0.056 10.888 1.00 0.00 C ATOM 620 O SER A 46 1.337 0.412 12.011 1.00 0.00 O ATOM 621 CB SER A 46 2.502 -2.316 11.035 1.00 0.00 C ATOM 622 OG SER A 46 2.448 -2.313 12.459 1.00 0.00 O ATOM 0 H SER A 46 2.402 -1.243 8.554 1.00 0.00 H new ATOM 0 HA SER A 46 0.475 -1.710 10.754 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.341 -3.330 10.668 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.497 -2.013 10.709 1.00 0.00 H new ATOM 0 HG SER A 46 3.128 -2.923 12.813 1.00 0.00 H new ATOM 628 N LYS A 47 2.284 0.844 10.004 1.00 0.00 N ATOM 629 CA LYS A 47 2.568 2.236 10.312 1.00 0.00 C ATOM 630 C LYS A 47 2.157 3.111 9.127 1.00 0.00 C ATOM 631 O LYS A 47 2.147 2.652 7.986 1.00 0.00 O ATOM 632 CB LYS A 47 4.032 2.405 10.723 1.00 0.00 C ATOM 633 CG LYS A 47 4.175 3.466 11.817 1.00 0.00 C ATOM 634 CD LYS A 47 5.430 4.313 11.598 1.00 0.00 C ATOM 635 CE LYS A 47 5.718 5.191 12.817 1.00 0.00 C ATOM 636 NZ LYS A 47 7.175 5.400 12.973 1.00 0.00 N ATOM 0 H LYS A 47 2.576 0.545 9.073 1.00 0.00 H new ATOM 0 HA LYS A 47 1.980 2.564 11.169 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.425 1.453 11.081 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.627 2.690 9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.295 4.109 11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.224 2.983 12.793 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.283 3.663 11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.301 4.940 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.217 6.152 12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.314 4.722 13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.353 5.998 13.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.646 4.481 13.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.552 5.868 12.124 1.00 0.00 H new ATOM 650 N ILE A 48 1.828 4.356 9.438 1.00 0.00 N ATOM 651 CA ILE A 48 1.417 5.300 8.412 1.00 0.00 C ATOM 652 C ILE A 48 1.655 6.726 8.913 1.00 0.00 C ATOM 653 O ILE A 48 0.981 7.185 9.834 1.00 0.00 O ATOM 654 CB ILE A 48 -0.027 5.031 7.984 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.104 3.836 7.032 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.663 6.285 7.382 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.438 3.815 6.284 1.00 0.00 C ATOM 0 H ILE A 48 1.838 4.733 10.386 1.00 0.00 H new ATOM 0 HA ILE A 48 2.020 5.173 7.513 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.603 4.772 8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.717 3.883 6.317 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.016 2.910 7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.689 6.066 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.661 7.085 8.122 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.092 6.599 6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.466 2.956 5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.256 3.743 7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.544 4.731 5.703 1.00 0.00 H new ATOM 669 N VAL A 49 2.615 7.387 8.283 1.00 0.00 N ATOM 670 CA VAL A 49 2.950 8.752 8.653 1.00 0.00 C ATOM 671 C VAL A 49 1.787 9.676 8.284 1.00 0.00 C ATOM 672 O VAL A 49 1.059 9.411 7.329 1.00 0.00 O ATOM 673 CB VAL A 49 4.270 9.162 7.998 1.00 0.00 C ATOM 674 CG1 VAL A 49 5.294 8.027 8.070 1.00 0.00 C ATOM 675 CG2 VAL A 49 4.049 9.611 6.553 1.00 0.00 C ATOM 0 H VAL A 49 3.171 7.003 7.519 1.00 0.00 H new ATOM 0 HA VAL A 49 3.098 8.831 9.730 1.00 0.00 H new ATOM 0 HB VAL A 49 4.671 10.010 8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.223 8.345 7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.485 7.775 9.113 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.904 7.151 7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.003 9.897 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.614 8.792 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.371 10.465 6.537 1.00 0.00 H new ATOM 685 N ASP A 50 1.650 10.740 9.061 1.00 0.00 N ATOM 686 CA ASP A 50 0.589 11.705 8.828 1.00 0.00 C ATOM 687 C ASP A 50 0.979 12.614 7.661 1.00 0.00 C ATOM 688 O ASP A 50 0.521 12.418 6.536 1.00 0.00 O ATOM 689 CB ASP A 50 0.364 12.585 10.059 1.00 0.00 C ATOM 690 CG ASP A 50 -0.976 12.378 10.767 1.00 0.00 C ATOM 691 OD1 ASP A 50 -1.041 11.448 11.599 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.906 13.155 10.459 1.00 0.00 O ATOM 0 H ASP A 50 2.256 10.955 9.853 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.325 11.154 8.607 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.167 12.398 10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.441 13.630 9.759 1.00 0.00 H new ATOM 697 N SER A 51 1.820 13.590 7.969 1.00 0.00 N ATOM 698 CA SER A 51 2.277 14.530 6.960 1.00 0.00 C ATOM 699 C SER A 51 2.409 13.825 5.608 1.00 0.00 C ATOM 700 O SER A 51 1.866 14.288 4.607 1.00 0.00 O ATOM 701 CB SER A 51 3.611 15.163 7.360 1.00 0.00 C ATOM 702 OG SER A 51 3.470 16.542 7.692 1.00 0.00 O ATOM 0 H SER A 51 2.197 13.750 8.903 1.00 0.00 H new ATOM 0 HA SER A 51 1.538 15.327 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.026 14.626 8.213 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.322 15.058 6.540 1.00 0.00 H new ATOM 0 HG SER A 51 4.343 16.909 7.943 1.00 0.00 H new ATOM 708 N GLY A 52 3.132 12.715 5.624 1.00 0.00 N ATOM 709 CA GLY A 52 3.342 11.941 4.413 1.00 0.00 C ATOM 710 C GLY A 52 2.119 12.014 3.497 1.00 0.00 C ATOM 711 O GLY A 52 0.992 12.158 3.969 1.00 0.00 O ATOM 0 H GLY A 52 3.580 12.333 6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.219 12.316 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.545 10.902 4.672 1.00 0.00 H new ATOM 715 N PRO A 53 2.389 11.909 2.168 1.00 0.00 N ATOM 716 CA PRO A 53 1.323 11.962 1.181 1.00 0.00 C ATOM 717 C PRO A 53 0.531 10.653 1.159 1.00 0.00 C ATOM 718 O PRO A 53 -0.536 10.579 0.551 1.00 0.00 O ATOM 719 CB PRO A 53 2.021 12.256 -0.137 1.00 0.00 C ATOM 720 CG PRO A 53 3.483 11.897 0.077 1.00 0.00 C ATOM 721 CD PRO A 53 3.710 11.738 1.572 1.00 0.00 C ATOM 0 HA PRO A 53 0.582 12.729 1.403 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.589 11.669 -0.947 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.912 13.305 -0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.730 10.974 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.130 12.676 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.127 10.759 1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.413 12.482 1.947 1.00 0.00 H new ATOM 729 N ALA A 54 1.083 9.653 1.830 1.00 0.00 N ATOM 730 CA ALA A 54 0.441 8.351 1.895 1.00 0.00 C ATOM 731 C ALA A 54 -0.774 8.432 2.821 1.00 0.00 C ATOM 732 O ALA A 54 -1.741 7.692 2.648 1.00 0.00 O ATOM 733 CB ALA A 54 1.457 7.304 2.356 1.00 0.00 C ATOM 0 H ALA A 54 1.968 9.718 2.333 1.00 0.00 H new ATOM 0 HA ALA A 54 0.085 8.049 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.976 6.327 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.286 7.265 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.834 7.573 3.343 1.00 0.00 H new ATOM 739 N ALA A 55 -0.684 9.337 3.785 1.00 0.00 N ATOM 740 CA ALA A 55 -1.764 9.524 4.738 1.00 0.00 C ATOM 741 C ALA A 55 -2.680 10.648 4.251 1.00 0.00 C ATOM 742 O ALA A 55 -3.899 10.570 4.400 1.00 0.00 O ATOM 743 CB ALA A 55 -1.179 9.808 6.123 1.00 0.00 C ATOM 0 H ALA A 55 0.120 9.948 3.926 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.366 8.619 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.989 9.948 6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.560 8.967 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.570 10.711 6.083 1.00 0.00 H new ATOM 749 N LYS A 56 -2.059 11.668 3.678 1.00 0.00 N ATOM 750 CA LYS A 56 -2.803 12.807 3.167 1.00 0.00 C ATOM 751 C LYS A 56 -3.838 12.320 2.151 1.00 0.00 C ATOM 752 O LYS A 56 -5.003 12.124 2.491 1.00 0.00 O ATOM 753 CB LYS A 56 -1.848 13.866 2.614 1.00 0.00 C ATOM 754 CG LYS A 56 -1.580 14.959 3.651 1.00 0.00 C ATOM 755 CD LYS A 56 -2.087 16.317 3.161 1.00 0.00 C ATOM 756 CE LYS A 56 -0.924 17.284 2.928 1.00 0.00 C ATOM 757 NZ LYS A 56 -0.996 17.862 1.567 1.00 0.00 N ATOM 0 H LYS A 56 -1.048 11.730 3.556 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.352 13.296 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.908 13.397 2.324 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.274 14.310 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.069 14.702 4.590 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.511 15.018 3.854 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.648 16.188 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.774 16.739 3.894 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.952 18.082 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.023 16.761 3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.200 18.516 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.947 17.099 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.892 18.378 1.456 1.00 0.00 H new ATOM 771 N GLU A 57 -3.374 12.139 0.923 1.00 0.00 N ATOM 772 CA GLU A 57 -4.245 11.679 -0.146 1.00 0.00 C ATOM 773 C GLU A 57 -4.038 10.184 -0.392 1.00 0.00 C ATOM 774 O GLU A 57 -4.931 9.505 -0.898 1.00 0.00 O ATOM 775 CB GLU A 57 -4.013 12.483 -1.426 1.00 0.00 C ATOM 776 CG GLU A 57 -4.297 13.970 -1.200 1.00 0.00 C ATOM 777 CD GLU A 57 -4.819 14.630 -2.478 1.00 0.00 C ATOM 778 OE1 GLU A 57 -6.016 14.426 -2.774 1.00 0.00 O ATOM 779 OE2 GLU A 57 -4.008 15.323 -3.130 1.00 0.00 O ATOM 0 H GLU A 57 -2.406 12.302 0.644 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.279 11.837 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.984 12.353 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.656 12.103 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.029 14.087 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.386 14.472 -0.873 1.00 0.00 H new ATOM 786 N GLY A 58 -2.856 9.714 -0.023 1.00 0.00 N ATOM 787 CA GLY A 58 -2.520 8.311 -0.198 1.00 0.00 C ATOM 788 C GLY A 58 -3.771 7.433 -0.111 1.00 0.00 C ATOM 789 O GLY A 58 -4.078 6.691 -1.043 1.00 0.00 O ATOM 0 H GLY A 58 -2.118 10.280 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.037 8.167 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.804 8.007 0.565 1.00 0.00 H new ATOM 793 N GLY A 59 -4.458 7.547 1.016 1.00 0.00 N ATOM 794 CA GLY A 59 -5.668 6.773 1.236 1.00 0.00 C ATOM 795 C GLY A 59 -5.367 5.498 2.027 1.00 0.00 C ATOM 796 O GLY A 59 -6.282 4.832 2.509 1.00 0.00 O ATOM 0 H GLY A 59 -4.200 8.164 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.397 7.377 1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.117 6.513 0.277 1.00 0.00 H new ATOM 800 N LEU A 60 -4.081 5.197 2.136 1.00 0.00 N ATOM 801 CA LEU A 60 -3.648 4.015 2.861 1.00 0.00 C ATOM 802 C LEU A 60 -4.248 4.036 4.269 1.00 0.00 C ATOM 803 O LEU A 60 -4.797 5.049 4.698 1.00 0.00 O ATOM 804 CB LEU A 60 -2.123 3.904 2.844 1.00 0.00 C ATOM 805 CG LEU A 60 -1.552 2.485 2.883 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.314 1.561 1.930 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.049 2.490 2.597 1.00 0.00 C ATOM 0 H LEU A 60 -3.325 5.752 1.734 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.015 3.113 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.753 4.398 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.729 4.456 3.697 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.686 2.091 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.888 0.559 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.364 1.523 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.234 1.942 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.331 1.469 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.132 2.912 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.462 3.093 3.348 1.00 0.00 H new ATOM 819 N GLN A 61 -4.121 2.906 4.948 1.00 0.00 N ATOM 820 CA GLN A 61 -4.643 2.782 6.299 1.00 0.00 C ATOM 821 C GLN A 61 -4.069 1.538 6.978 1.00 0.00 C ATOM 822 O GLN A 61 -4.154 0.436 6.438 1.00 0.00 O ATOM 823 CB GLN A 61 -6.173 2.748 6.294 1.00 0.00 C ATOM 824 CG GLN A 61 -6.754 4.140 6.550 1.00 0.00 C ATOM 825 CD GLN A 61 -7.770 4.517 5.470 1.00 0.00 C ATOM 826 OE1 GLN A 61 -7.666 5.540 4.814 1.00 0.00 O ATOM 827 NE2 GLN A 61 -8.755 3.636 5.323 1.00 0.00 N ATOM 0 H GLN A 61 -3.664 2.068 4.588 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.333 3.658 6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.529 2.373 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.527 2.056 7.058 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.233 4.164 7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.950 4.876 6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.782 2.799 5.906 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.484 3.797 4.628 1.00 0.00 H new ATOM 836 N ILE A 62 -3.496 1.755 8.153 1.00 0.00 N ATOM 837 CA ILE A 62 -2.908 0.665 8.912 1.00 0.00 C ATOM 838 C ILE A 62 -3.819 -0.561 8.825 1.00 0.00 C ATOM 839 O ILE A 62 -5.037 -0.427 8.716 1.00 0.00 O ATOM 840 CB ILE A 62 -2.609 1.109 10.345 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.911 2.471 10.363 1.00 0.00 C ATOM 842 CG2 ILE A 62 -1.807 0.043 11.094 1.00 0.00 C ATOM 843 CD1 ILE A 62 -0.685 2.446 11.277 1.00 0.00 C ATOM 0 H ILE A 62 -3.427 2.670 8.598 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.947 0.379 8.485 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.557 1.226 10.871 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.609 2.743 9.351 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.608 3.236 10.704 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.608 0.384 12.110 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.378 -0.885 11.128 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.863 -0.131 10.578 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.207 3.426 11.272 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.993 2.198 12.293 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.021 1.696 10.919 1.00 0.00 H new ATOM 855 N HIS A 63 -3.194 -1.728 8.878 1.00 0.00 N ATOM 856 CA HIS A 63 -3.934 -2.977 8.807 1.00 0.00 C ATOM 857 C HIS A 63 -4.518 -3.148 7.403 1.00 0.00 C ATOM 858 O HIS A 63 -5.616 -3.679 7.245 1.00 0.00 O ATOM 859 CB HIS A 63 -4.998 -3.042 9.904 1.00 0.00 C ATOM 860 CG HIS A 63 -4.614 -2.321 11.174 1.00 0.00 C ATOM 861 ND1 HIS A 63 -5.361 -1.281 11.701 1.00 0.00 N ATOM 862 CD2 HIS A 63 -3.557 -2.500 12.017 1.00 0.00 C ATOM 863 CE1 HIS A 63 -4.770 -0.862 12.810 1.00 0.00 C ATOM 864 NE2 HIS A 63 -3.652 -1.618 13.004 1.00 0.00 N ATOM 0 H HIS A 63 -2.184 -1.835 8.969 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.259 -3.814 8.987 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.926 -2.615 9.522 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.200 -4.087 10.138 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.775 -3.235 11.901 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.114 -0.062 13.449 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.997 -1.522 13.780 1.00 0.00 H new ATOM 872 N ASP A 64 -3.758 -2.688 6.420 1.00 0.00 N ATOM 873 CA ASP A 64 -4.187 -2.783 5.035 1.00 0.00 C ATOM 874 C ASP A 64 -3.202 -3.659 4.260 1.00 0.00 C ATOM 875 O ASP A 64 -2.018 -3.338 4.170 1.00 0.00 O ATOM 876 CB ASP A 64 -4.218 -1.405 4.372 1.00 0.00 C ATOM 877 CG ASP A 64 -5.535 -0.642 4.527 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.459 -1.222 5.137 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.588 0.505 4.033 1.00 0.00 O ATOM 0 H ASP A 64 -2.848 -2.248 6.555 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.189 -3.212 5.021 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.414 -0.800 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.008 -1.525 3.309 1.00 0.00 H new ATOM 884 N ARG A 65 -3.727 -4.749 3.718 1.00 0.00 N ATOM 885 CA ARG A 65 -2.908 -5.673 2.953 1.00 0.00 C ATOM 886 C ARG A 65 -2.810 -5.216 1.497 1.00 0.00 C ATOM 887 O ARG A 65 -3.778 -5.316 0.745 1.00 0.00 O ATOM 888 CB ARG A 65 -3.486 -7.089 2.998 1.00 0.00 C ATOM 889 CG ARG A 65 -2.435 -8.124 2.596 1.00 0.00 C ATOM 890 CD ARG A 65 -3.091 -9.453 2.214 1.00 0.00 C ATOM 891 NE ARG A 65 -2.061 -10.415 1.761 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.315 -11.689 1.435 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.567 -12.163 1.508 1.00 0.00 N ATOM 894 NH2 ARG A 65 -1.318 -12.490 1.034 1.00 0.00 N ATOM 0 H ARG A 65 -4.710 -5.012 3.794 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.915 -5.684 3.401 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.849 -7.306 4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.343 -7.157 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.852 -7.748 1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.740 -8.281 3.421 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.630 -9.861 3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.823 -9.292 1.423 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.098 -10.087 1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.326 -11.553 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.760 -13.133 1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.366 -12.129 0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.512 -13.460 0.786 1.00 0.00 H new ATOM 908 N ILE A 66 -1.632 -4.724 1.142 1.00 0.00 N ATOM 909 CA ILE A 66 -1.396 -4.251 -0.211 1.00 0.00 C ATOM 910 C ILE A 66 -1.531 -5.421 -1.187 1.00 0.00 C ATOM 911 O ILE A 66 -1.076 -6.527 -0.903 1.00 0.00 O ATOM 912 CB ILE A 66 -0.049 -3.530 -0.299 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.225 -2.723 0.972 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.027 -2.661 -1.557 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.224 -1.596 0.701 1.00 0.00 C ATOM 0 H ILE A 66 -0.831 -4.643 1.768 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.147 -3.512 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 66 0.736 -4.282 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.708 -2.304 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.616 -3.381 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.994 -2.160 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.092 -3.288 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.767 -1.915 -1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.401 -1.038 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.164 -2.020 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.820 -0.926 -0.058 1.00 0.00 H new ATOM 927 N ILE A 67 -2.160 -5.137 -2.319 1.00 0.00 N ATOM 928 CA ILE A 67 -2.362 -6.152 -3.338 1.00 0.00 C ATOM 929 C ILE A 67 -1.414 -5.887 -4.510 1.00 0.00 C ATOM 930 O ILE A 67 -0.764 -6.806 -5.007 1.00 0.00 O ATOM 931 CB ILE A 67 -3.836 -6.220 -3.743 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.744 -5.848 -2.569 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.182 -7.592 -4.324 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.879 -7.015 -1.590 1.00 0.00 C ATOM 0 H ILE A 67 -2.536 -4.218 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.118 -7.139 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.009 -5.485 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.337 -4.979 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.729 -5.565 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.235 -7.614 -4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.569 -7.779 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.989 -8.362 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.529 -6.724 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.308 -7.874 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.896 -7.279 -1.201 1.00 0.00 H new ATOM 946 N GLU A 68 -1.365 -4.627 -4.917 1.00 0.00 N ATOM 947 CA GLU A 68 -0.508 -4.230 -6.021 1.00 0.00 C ATOM 948 C GLU A 68 -0.003 -2.801 -5.813 1.00 0.00 C ATOM 949 O GLU A 68 -0.671 -1.990 -5.174 1.00 0.00 O ATOM 950 CB GLU A 68 -1.238 -4.365 -7.358 1.00 0.00 C ATOM 951 CG GLU A 68 -0.439 -5.231 -8.334 1.00 0.00 C ATOM 952 CD GLU A 68 -1.163 -6.550 -8.616 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.860 -7.023 -7.693 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.003 -7.054 -9.749 1.00 0.00 O ATOM 0 H GLU A 68 -1.905 -3.868 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 68 0.353 -4.898 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.222 -4.806 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.399 -3.377 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.288 -4.688 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.548 -5.435 -7.920 1.00 0.00 H new ATOM 961 N VAL A 69 1.172 -2.536 -6.366 1.00 0.00 N ATOM 962 CA VAL A 69 1.774 -1.219 -6.249 1.00 0.00 C ATOM 963 C VAL A 69 2.438 -0.847 -7.576 1.00 0.00 C ATOM 964 O VAL A 69 3.365 -1.523 -8.021 1.00 0.00 O ATOM 965 CB VAL A 69 2.743 -1.189 -5.066 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.178 -1.454 -5.526 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.646 0.138 -4.311 1.00 0.00 C ATOM 0 H VAL A 69 1.723 -3.211 -6.896 1.00 0.00 H new ATOM 0 HA VAL A 69 1.011 -0.467 -6.045 1.00 0.00 H new ATOM 0 HB VAL A 69 2.458 -1.986 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.847 -1.427 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.233 -2.435 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.478 -0.689 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.345 0.133 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.892 0.959 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.631 0.269 -3.935 1.00 0.00 H new ATOM 977 N ASN A 70 1.939 0.226 -8.172 1.00 0.00 N ATOM 978 CA ASN A 70 2.473 0.695 -9.439 1.00 0.00 C ATOM 979 C ASN A 70 2.371 -0.424 -10.476 1.00 0.00 C ATOM 980 O ASN A 70 3.034 -0.379 -11.511 1.00 0.00 O ATOM 981 CB ASN A 70 3.947 1.084 -9.306 1.00 0.00 C ATOM 982 CG ASN A 70 4.350 2.086 -10.389 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.597 3.309 -9.928 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.431 1.771 -11.564 1.00 0.00 N flip ATOM 0 H ASN A 70 1.170 0.784 -7.801 1.00 0.00 H new ATOM 0 HA ASN A 70 1.896 1.568 -9.745 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.125 1.516 -8.321 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.570 0.193 -9.380 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.227 0.813 -11.850 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.702 2.465 -12.261 1.00 0.00 H new ATOM 991 N GLY A 71 1.535 -1.403 -10.163 1.00 0.00 N ATOM 992 CA GLY A 71 1.338 -2.533 -11.056 1.00 0.00 C ATOM 993 C GLY A 71 2.124 -3.755 -10.576 1.00 0.00 C ATOM 994 O GLY A 71 2.021 -4.832 -11.160 1.00 0.00 O ATOM 0 H GLY A 71 0.986 -1.437 -9.304 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.277 -2.777 -11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.656 -2.265 -12.064 1.00 0.00 H new ATOM 998 N ARG A 72 2.892 -3.546 -9.517 1.00 0.00 N ATOM 999 CA ARG A 72 3.696 -4.616 -8.952 1.00 0.00 C ATOM 1000 C ARG A 72 2.932 -5.315 -7.825 1.00 0.00 C ATOM 1001 O ARG A 72 2.446 -4.663 -6.902 1.00 0.00 O ATOM 1002 CB ARG A 72 5.021 -4.081 -8.405 1.00 0.00 C ATOM 1003 CG ARG A 72 6.209 -4.695 -9.148 1.00 0.00 C ATOM 1004 CD ARG A 72 7.334 -5.059 -8.178 1.00 0.00 C ATOM 1005 NE ARG A 72 8.587 -5.306 -8.926 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.601 -6.053 -8.467 1.00 0.00 C ATOM 1007 NH1 ARG A 72 9.516 -6.630 -7.261 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.700 -6.222 -9.215 1.00 0.00 N ATOM 0 H ARG A 72 2.974 -2.651 -9.035 1.00 0.00 H new ATOM 0 HA ARG A 72 3.907 -5.328 -9.750 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.047 -2.996 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.097 -4.306 -7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.885 -5.586 -9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.580 -3.991 -9.893 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.482 -4.252 -7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.060 -5.946 -7.607 1.00 0.00 H new ATOM 0 HE ARG A 72 8.685 -4.881 -9.848 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.680 -6.501 -6.692 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.288 -7.198 -6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.765 -5.782 -10.133 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.472 -6.790 -8.866 1.00 0.00 H new ATOM 1022 N ASP A 73 2.850 -6.633 -7.938 1.00 0.00 N ATOM 1023 CA ASP A 73 2.154 -7.427 -6.940 1.00 0.00 C ATOM 1024 C ASP A 73 3.058 -7.612 -5.720 1.00 0.00 C ATOM 1025 O ASP A 73 4.254 -7.861 -5.861 1.00 0.00 O ATOM 1026 CB ASP A 73 1.805 -8.814 -7.485 1.00 0.00 C ATOM 1027 CG ASP A 73 1.574 -9.888 -6.420 1.00 0.00 C ATOM 1028 OD1 ASP A 73 2.568 -10.250 -5.754 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.409 -10.323 -6.296 1.00 0.00 O ATOM 0 H ASP A 73 3.254 -7.170 -8.705 1.00 0.00 H new ATOM 0 HA ASP A 73 1.236 -6.903 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.907 -8.732 -8.097 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.610 -9.143 -8.142 1.00 0.00 H new ATOM 1034 N LEU A 74 2.451 -7.484 -4.549 1.00 0.00 N ATOM 1035 CA LEU A 74 3.187 -7.634 -3.305 1.00 0.00 C ATOM 1036 C LEU A 74 2.292 -8.316 -2.268 1.00 0.00 C ATOM 1037 O LEU A 74 2.503 -8.164 -1.065 1.00 0.00 O ATOM 1038 CB LEU A 74 3.742 -6.284 -2.845 1.00 0.00 C ATOM 1039 CG LEU A 74 4.235 -5.350 -3.951 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.474 -3.938 -3.411 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.479 -5.919 -4.636 1.00 0.00 C ATOM 0 H LEU A 74 1.458 -7.278 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 74 4.055 -8.277 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.966 -5.768 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.568 -6.468 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 74 3.455 -5.278 -4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.824 -3.294 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.543 -3.540 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.226 -3.972 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.809 -5.235 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.275 -6.041 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.241 -6.887 -5.077 1.00 0.00 H new ATOM 1053 N SER A 75 1.313 -9.054 -2.771 1.00 0.00 N ATOM 1054 CA SER A 75 0.386 -9.760 -1.903 1.00 0.00 C ATOM 1055 C SER A 75 1.112 -10.890 -1.171 1.00 0.00 C ATOM 1056 O SER A 75 0.936 -11.069 0.033 1.00 0.00 O ATOM 1057 CB SER A 75 -0.797 -10.316 -2.698 1.00 0.00 C ATOM 1058 OG SER A 75 -0.416 -11.408 -3.530 1.00 0.00 O ATOM 0 H SER A 75 1.142 -9.178 -3.769 1.00 0.00 H new ATOM 0 HA SER A 75 -0.003 -9.053 -1.170 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.576 -10.640 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.225 -9.524 -3.313 1.00 0.00 H new ATOM 0 HG SER A 75 -0.154 -11.071 -4.412 1.00 0.00 H new ATOM 1064 N ARG A 76 1.913 -11.625 -1.930 1.00 0.00 N ATOM 1065 CA ARG A 76 2.666 -12.733 -1.368 1.00 0.00 C ATOM 1066 C ARG A 76 4.164 -12.420 -1.387 1.00 0.00 C ATOM 1067 O ARG A 76 4.987 -13.293 -1.116 1.00 0.00 O ATOM 1068 CB ARG A 76 2.412 -14.024 -2.150 1.00 0.00 C ATOM 1069 CG ARG A 76 2.553 -13.790 -3.655 1.00 0.00 C ATOM 1070 CD ARG A 76 2.643 -15.118 -4.410 1.00 0.00 C ATOM 1071 NE ARG A 76 3.906 -15.809 -4.070 1.00 0.00 N ATOM 1072 CZ ARG A 76 4.113 -17.122 -4.240 1.00 0.00 C ATOM 1073 NH1 ARG A 76 3.142 -17.894 -4.747 1.00 0.00 N ATOM 1074 NH2 ARG A 76 5.291 -17.664 -3.902 1.00 0.00 N ATOM 0 H ARG A 76 2.056 -11.474 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 76 2.333 -12.873 -0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.117 -14.792 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.412 -14.397 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.700 -13.218 -4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.444 -13.194 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.793 -15.750 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.595 -14.939 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 76 4.667 -15.251 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.245 -17.482 -5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.300 -18.893 -4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.030 -17.077 -3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.448 -18.663 -4.031 1.00 0.00 H new ATOM 1088 N ALA A 77 4.472 -11.173 -1.709 1.00 0.00 N ATOM 1089 CA ALA A 77 5.856 -10.734 -1.767 1.00 0.00 C ATOM 1090 C ALA A 77 6.388 -10.551 -0.344 1.00 0.00 C ATOM 1091 O ALA A 77 5.633 -10.653 0.623 1.00 0.00 O ATOM 1092 CB ALA A 77 5.951 -9.450 -2.594 1.00 0.00 C ATOM 0 H ALA A 77 3.786 -10.452 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 77 6.476 -11.484 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.989 -9.121 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.588 -9.640 -3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.343 -8.673 -2.131 1.00 0.00 H new ATOM 1098 N THR A 78 7.683 -10.285 -0.260 1.00 0.00 N ATOM 1099 CA THR A 78 8.325 -10.088 1.029 1.00 0.00 C ATOM 1100 C THR A 78 8.529 -8.596 1.300 1.00 0.00 C ATOM 1101 O THR A 78 8.578 -7.793 0.369 1.00 0.00 O ATOM 1102 CB THR A 78 9.627 -10.890 1.036 1.00 0.00 C ATOM 1103 OG1 THR A 78 10.554 -10.054 0.349 1.00 0.00 O ATOM 1104 CG2 THR A 78 9.545 -12.147 0.168 1.00 0.00 C ATOM 0 H THR A 78 8.306 -10.201 -1.064 1.00 0.00 H new ATOM 0 HA THR A 78 7.698 -10.452 1.843 1.00 0.00 H new ATOM 0 HB THR A 78 9.874 -11.171 2.060 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.427 -10.497 0.309 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.495 -12.679 0.208 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.750 -12.794 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.331 -11.864 -0.863 1.00 0.00 H new ATOM 1112 N HIS A 79 8.642 -8.269 2.579 1.00 0.00 N ATOM 1113 CA HIS A 79 8.839 -6.888 2.984 1.00 0.00 C ATOM 1114 C HIS A 79 9.974 -6.270 2.165 1.00 0.00 C ATOM 1115 O HIS A 79 10.015 -5.056 1.971 1.00 0.00 O ATOM 1116 CB HIS A 79 9.077 -6.793 4.492 1.00 0.00 C ATOM 1117 CG HIS A 79 9.420 -5.404 4.974 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.629 -4.415 5.481 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.710 -4.903 4.959 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.394 -3.368 5.764 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.685 -3.668 5.440 1.00 0.00 N flip ATOM 0 H HIS A 79 8.601 -8.937 3.349 1.00 0.00 H new ATOM 0 HA HIS A 79 7.936 -6.313 2.780 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.183 -7.137 5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.886 -7.471 4.765 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.588 -5.429 4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.051 -2.433 6.182 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.490 -3.050 5.549 1.00 0.00 H new ATOM 1129 N ASP A 80 10.867 -7.134 1.705 1.00 0.00 N ATOM 1130 CA ASP A 80 12.000 -6.688 0.911 1.00 0.00 C ATOM 1131 C ASP A 80 11.515 -6.297 -0.486 1.00 0.00 C ATOM 1132 O ASP A 80 11.888 -5.246 -1.005 1.00 0.00 O ATOM 1133 CB ASP A 80 13.036 -7.803 0.756 1.00 0.00 C ATOM 1134 CG ASP A 80 14.364 -7.554 1.474 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.854 -6.408 1.382 1.00 0.00 O ATOM 1136 OD2 ASP A 80 14.860 -8.516 2.100 1.00 0.00 O ATOM 0 H ASP A 80 10.829 -8.140 1.867 1.00 0.00 H new ATOM 0 HA ASP A 80 12.456 -5.839 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.606 -8.732 1.130 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.236 -7.948 -0.306 1.00 0.00 H new ATOM 1141 N GLN A 81 10.690 -7.163 -1.056 1.00 0.00 N ATOM 1142 CA GLN A 81 10.150 -6.921 -2.383 1.00 0.00 C ATOM 1143 C GLN A 81 9.237 -5.693 -2.369 1.00 0.00 C ATOM 1144 O GLN A 81 9.437 -4.757 -3.142 1.00 0.00 O ATOM 1145 CB GLN A 81 9.405 -8.151 -2.905 1.00 0.00 C ATOM 1146 CG GLN A 81 10.376 -9.157 -3.526 1.00 0.00 C ATOM 1147 CD GLN A 81 9.769 -9.810 -4.769 1.00 0.00 C ATOM 1148 OE1 GLN A 81 9.452 -9.159 -5.751 1.00 0.00 O ATOM 1149 NE2 GLN A 81 9.624 -11.129 -4.672 1.00 0.00 N ATOM 0 H GLN A 81 10.382 -8.034 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 81 10.981 -6.725 -3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.859 -8.624 -2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.667 -7.846 -3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.305 -8.654 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.628 -9.924 -2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.910 -11.612 -3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.227 -11.657 -5.449 1.00 0.00 H new ATOM 1158 N ALA A 82 8.255 -5.735 -1.481 1.00 0.00 N ATOM 1159 CA ALA A 82 7.311 -4.638 -1.356 1.00 0.00 C ATOM 1160 C ALA A 82 8.080 -3.320 -1.246 1.00 0.00 C ATOM 1161 O ALA A 82 7.811 -2.377 -1.990 1.00 0.00 O ATOM 1162 CB ALA A 82 6.400 -4.883 -0.151 1.00 0.00 C ATOM 0 H ALA A 82 8.093 -6.512 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 82 6.675 -4.577 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.692 -4.060 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.855 -5.817 -0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.004 -4.947 0.754 1.00 0.00 H new ATOM 1168 N VAL A 83 9.021 -3.296 -0.314 1.00 0.00 N ATOM 1169 CA VAL A 83 9.831 -2.109 -0.098 1.00 0.00 C ATOM 1170 C VAL A 83 10.462 -1.679 -1.424 1.00 0.00 C ATOM 1171 O VAL A 83 10.290 -0.540 -1.857 1.00 0.00 O ATOM 1172 CB VAL A 83 10.865 -2.373 0.998 1.00 0.00 C ATOM 1173 CG1 VAL A 83 11.963 -1.308 0.984 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.198 -2.454 2.373 1.00 0.00 C ATOM 0 H VAL A 83 9.241 -4.080 0.301 1.00 0.00 H new ATOM 0 HA VAL A 83 9.212 -1.283 0.251 1.00 0.00 H new ATOM 0 HB VAL A 83 11.331 -3.337 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.685 -1.519 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.468 -1.318 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.520 -0.326 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 83 10.955 -2.642 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.693 -1.512 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.470 -3.265 2.377 1.00 0.00 H new ATOM 1184 N GLU A 84 11.179 -2.613 -2.032 1.00 0.00 N ATOM 1185 CA GLU A 84 11.836 -2.345 -3.299 1.00 0.00 C ATOM 1186 C GLU A 84 10.829 -1.801 -4.315 1.00 0.00 C ATOM 1187 O GLU A 84 11.115 -0.836 -5.023 1.00 0.00 O ATOM 1188 CB GLU A 84 12.530 -3.600 -3.833 1.00 0.00 C ATOM 1189 CG GLU A 84 13.109 -3.354 -5.228 1.00 0.00 C ATOM 1190 CD GLU A 84 14.386 -4.170 -5.443 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.244 -5.375 -5.747 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.473 -3.572 -5.298 1.00 0.00 O ATOM 0 H GLU A 84 11.319 -3.556 -1.670 1.00 0.00 H new ATOM 0 HA GLU A 84 12.602 -1.588 -3.135 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.327 -3.897 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.819 -4.425 -3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.371 -3.621 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.325 -2.293 -5.354 1.00 0.00 H new ATOM 1199 N ALA A 85 9.671 -2.443 -4.354 1.00 0.00 N ATOM 1200 CA ALA A 85 8.620 -2.036 -5.271 1.00 0.00 C ATOM 1201 C ALA A 85 8.321 -0.549 -5.070 1.00 0.00 C ATOM 1202 O ALA A 85 8.359 0.230 -6.021 1.00 0.00 O ATOM 1203 CB ALA A 85 7.385 -2.913 -5.055 1.00 0.00 C ATOM 0 H ALA A 85 9.437 -3.242 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 85 8.939 -2.172 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.597 -2.607 -5.743 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.643 -3.956 -5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.034 -2.801 -4.029 1.00 0.00 H new ATOM 1209 N PHE A 86 8.031 -0.200 -3.825 1.00 0.00 N ATOM 1210 CA PHE A 86 7.726 1.180 -3.487 1.00 0.00 C ATOM 1211 C PHE A 86 8.940 2.082 -3.716 1.00 0.00 C ATOM 1212 O PHE A 86 8.791 3.276 -3.971 1.00 0.00 O ATOM 1213 CB PHE A 86 7.359 1.206 -2.002 1.00 0.00 C ATOM 1214 CG PHE A 86 5.911 0.806 -1.711 1.00 0.00 C ATOM 1215 CD1 PHE A 86 4.894 1.648 -2.040 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.640 -0.390 -1.124 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.550 1.277 -1.771 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.296 -0.761 -0.855 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.279 0.080 -1.184 1.00 0.00 C ATOM 0 H PHE A 86 8.001 -0.849 -3.038 1.00 0.00 H new ATOM 0 HA PHE A 86 6.913 1.545 -4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.026 0.534 -1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.533 2.209 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.109 2.598 -2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.447 -1.058 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.743 1.945 -2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.081 -1.711 -0.389 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.257 -0.202 -0.979 1.00 0.00 H new ATOM 1229 N LYS A 87 10.114 1.476 -3.616 1.00 0.00 N ATOM 1230 CA LYS A 87 11.353 2.210 -3.809 1.00 0.00 C ATOM 1231 C LYS A 87 11.556 2.477 -5.302 1.00 0.00 C ATOM 1232 O LYS A 87 11.897 3.591 -5.696 1.00 0.00 O ATOM 1233 CB LYS A 87 12.521 1.471 -3.153 1.00 0.00 C ATOM 1234 CG LYS A 87 13.296 2.395 -2.211 1.00 0.00 C ATOM 1235 CD LYS A 87 14.762 1.969 -2.108 1.00 0.00 C ATOM 1236 CE LYS A 87 15.255 2.048 -0.662 1.00 0.00 C ATOM 1237 NZ LYS A 87 15.859 0.762 -0.248 1.00 0.00 N ATOM 0 H LYS A 87 10.233 0.485 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 87 11.301 3.180 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.146 0.611 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.190 1.086 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.237 3.422 -2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.838 2.378 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.876 0.951 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.376 2.610 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.988 2.849 -0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.424 2.295 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.188 0.834 0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.149 0.005 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.665 0.542 -0.867 1.00 0.00 H new ATOM 1251 N THR A 88 11.337 1.437 -6.092 1.00 0.00 N ATOM 1252 CA THR A 88 11.491 1.545 -7.532 1.00 0.00 C ATOM 1253 C THR A 88 10.185 2.020 -8.174 1.00 0.00 C ATOM 1254 O THR A 88 10.105 2.166 -9.393 1.00 0.00 O ATOM 1255 CB THR A 88 11.969 0.191 -8.060 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.956 -0.721 -7.646 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.229 -0.303 -7.347 1.00 0.00 C ATOM 0 H THR A 88 11.054 0.514 -5.762 1.00 0.00 H new ATOM 0 HA THR A 88 12.238 2.294 -7.794 1.00 0.00 H new ATOM 0 HB THR A 88 12.163 0.267 -9.130 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.193 -1.099 -6.774 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.526 -1.267 -7.759 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.035 0.417 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.025 -0.411 -6.282 1.00 0.00 H new ATOM 1265 N ALA A 89 9.195 2.249 -7.324 1.00 0.00 N ATOM 1266 CA ALA A 89 7.897 2.705 -7.793 1.00 0.00 C ATOM 1267 C ALA A 89 8.003 4.167 -8.232 1.00 0.00 C ATOM 1268 O ALA A 89 8.820 4.920 -7.704 1.00 0.00 O ATOM 1269 CB ALA A 89 6.856 2.501 -6.691 1.00 0.00 C ATOM 0 H ALA A 89 9.265 2.127 -6.314 1.00 0.00 H new ATOM 0 HA ALA A 89 7.575 2.124 -8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.882 2.843 -7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.799 1.443 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.144 3.072 -5.808 1.00 0.00 H new ATOM 1275 N LYS A 90 7.165 4.524 -9.194 1.00 0.00 N ATOM 1276 CA LYS A 90 7.154 5.883 -9.710 1.00 0.00 C ATOM 1277 C LYS A 90 5.762 6.487 -9.514 1.00 0.00 C ATOM 1278 O LYS A 90 4.770 5.763 -9.456 1.00 0.00 O ATOM 1279 CB LYS A 90 7.637 5.908 -11.162 1.00 0.00 C ATOM 1280 CG LYS A 90 9.143 6.165 -11.235 1.00 0.00 C ATOM 1281 CD LYS A 90 9.482 7.580 -10.761 1.00 0.00 C ATOM 1282 CE LYS A 90 9.783 8.498 -11.947 1.00 0.00 C ATOM 1283 NZ LYS A 90 10.178 9.843 -11.474 1.00 0.00 N ATOM 0 H LYS A 90 6.489 3.897 -9.630 1.00 0.00 H new ATOM 0 HA LYS A 90 7.854 6.508 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.403 4.958 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.105 6.684 -11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.670 5.436 -10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.490 6.028 -12.259 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.649 7.984 -10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.343 7.547 -10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.582 8.070 -12.552 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.904 8.575 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.379 10.453 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.404 10.256 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.029 9.767 -10.882 1.00 0.00 H new ATOM 1297 N GLU A 91 5.734 7.808 -9.417 1.00 0.00 N ATOM 1298 CA GLU A 91 4.481 8.518 -9.228 1.00 0.00 C ATOM 1299 C GLU A 91 3.860 8.868 -10.582 1.00 0.00 C ATOM 1300 O GLU A 91 4.573 9.203 -11.528 1.00 0.00 O ATOM 1301 CB GLU A 91 4.684 9.773 -8.377 1.00 0.00 C ATOM 1302 CG GLU A 91 5.542 9.468 -7.148 1.00 0.00 C ATOM 1303 CD GLU A 91 6.157 10.748 -6.578 1.00 0.00 C ATOM 1304 OE1 GLU A 91 5.406 11.742 -6.476 1.00 0.00 O ATOM 1305 OE2 GLU A 91 7.364 10.704 -6.257 1.00 0.00 O ATOM 0 H GLU A 91 6.559 8.405 -9.466 1.00 0.00 H new ATOM 0 HA GLU A 91 3.793 7.864 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.162 10.549 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.716 10.164 -8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.933 8.982 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.333 8.768 -7.417 1.00 0.00 H new ATOM 1312 N PRO A 92 2.504 8.777 -10.634 1.00 0.00 N ATOM 1313 CA PRO A 92 1.736 8.374 -9.469 1.00 0.00 C ATOM 1314 C PRO A 92 1.862 6.869 -9.223 1.00 0.00 C ATOM 1315 O PRO A 92 1.874 6.081 -10.168 1.00 0.00 O ATOM 1316 CB PRO A 92 0.311 8.809 -9.767 1.00 0.00 C ATOM 1317 CG PRO A 92 0.245 9.019 -11.271 1.00 0.00 C ATOM 1318 CD PRO A 92 1.669 9.055 -11.799 1.00 0.00 C ATOM 0 HA PRO A 92 2.095 8.835 -8.549 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.404 8.051 -9.447 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.063 9.726 -9.233 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.318 8.214 -11.745 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.272 9.950 -11.504 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.820 8.311 -12.581 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.906 10.026 -12.233 1.00 0.00 H new ATOM 1326 N ILE A 93 1.954 6.515 -7.950 1.00 0.00 N ATOM 1327 CA ILE A 93 2.079 5.118 -7.568 1.00 0.00 C ATOM 1328 C ILE A 93 0.690 4.546 -7.284 1.00 0.00 C ATOM 1329 O ILE A 93 0.051 4.916 -6.300 1.00 0.00 O ATOM 1330 CB ILE A 93 3.057 4.967 -6.401 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.430 5.543 -6.758 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.148 3.509 -5.947 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.194 5.958 -5.500 1.00 0.00 C ATOM 0 H ILE A 93 1.945 7.171 -7.169 1.00 0.00 H new ATOM 0 HA ILE A 93 2.503 4.536 -8.386 1.00 0.00 H new ATOM 0 HB ILE A 93 2.675 5.543 -5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.007 4.801 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.307 6.405 -7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.850 3.430 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.165 3.166 -5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.495 2.891 -6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.166 6.364 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.626 6.717 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.336 5.089 -4.857 1.00 0.00 H new ATOM 1345 N VAL A 94 0.262 3.651 -8.163 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.041 3.024 -8.018 1.00 0.00 C ATOM 1347 C VAL A 94 -0.928 1.841 -7.053 1.00 0.00 C ATOM 1348 O VAL A 94 -0.323 0.822 -7.383 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.584 2.625 -9.392 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -2.997 2.049 -9.276 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.553 3.810 -10.359 1.00 0.00 C ATOM 0 H VAL A 94 0.794 3.345 -8.978 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.758 3.725 -7.590 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.936 1.847 -9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.360 1.773 -10.266 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.979 1.166 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.660 2.797 -8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.944 3.499 -11.328 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.166 4.619 -9.963 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.526 4.157 -10.477 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.520 2.017 -5.881 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.494 0.977 -4.866 1.00 0.00 C ATOM 1363 C VAL A 95 -2.921 0.489 -4.607 1.00 0.00 C ATOM 1364 O VAL A 95 -3.878 1.245 -4.762 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.800 1.495 -3.605 1.00 0.00 C ATOM 1366 CG1 VAL A 95 -0.027 0.375 -2.906 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.117 2.676 -3.929 1.00 0.00 C ATOM 0 H VAL A 95 -2.020 2.864 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.915 0.120 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.570 1.849 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.457 0.770 -2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.716 -0.421 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.729 -0.022 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.598 3.025 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.879 2.360 -4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.471 3.486 -4.361 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.017 -0.774 -4.216 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.311 -1.372 -3.933 1.00 0.00 C ATOM 1379 C GLN A 96 -4.254 -2.164 -2.625 1.00 0.00 C ATOM 1380 O GLN A 96 -3.260 -2.830 -2.340 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.769 -2.260 -5.091 1.00 0.00 C ATOM 1382 CG GLN A 96 -5.926 -3.166 -4.664 1.00 0.00 C ATOM 1383 CD GLN A 96 -6.967 -3.288 -5.778 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -7.217 -4.355 -6.315 1.00 0.00 O ATOM 1385 NE2 GLN A 96 -7.559 -2.140 -6.094 1.00 0.00 N ATOM 0 H GLN A 96 -2.221 -1.399 -4.089 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.043 -0.572 -3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.080 -1.638 -5.930 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.935 -2.869 -5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.544 -4.154 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.395 -2.764 -3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.303 -1.282 -5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -8.269 -2.117 -6.826 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.334 -2.066 -1.864 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.420 -2.765 -0.593 1.00 0.00 C ATOM 1396 C VAL A 97 -6.752 -3.514 -0.516 1.00 0.00 C ATOM 1397 O VAL A 97 -7.660 -3.254 -1.304 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.221 -1.779 0.561 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.765 -1.318 0.643 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.168 -0.585 0.431 1.00 0.00 C ATOM 0 H VAL A 97 -6.157 -1.513 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.625 -3.506 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.461 -2.297 1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.651 -0.618 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.119 -2.181 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.486 -0.826 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.006 0.100 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.974 -0.067 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.200 -0.936 0.445 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.827 -4.428 0.440 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.032 -5.216 0.629 1.00 0.00 C ATOM 1412 C LEU A 98 -8.609 -4.932 2.018 1.00 0.00 C ATOM 1413 O LEU A 98 -8.073 -5.396 3.023 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.750 -6.698 0.372 1.00 0.00 C ATOM 1415 CG LEU A 98 -8.306 -7.269 -0.934 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.954 -6.370 -2.120 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -7.835 -8.709 -1.147 1.00 0.00 C ATOM 0 H LEU A 98 -6.072 -4.640 1.092 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.792 -4.929 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.671 -6.849 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.160 -7.275 1.201 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.393 -7.293 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.361 -6.799 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.379 -5.379 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.870 -6.291 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.244 -9.091 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.746 -8.733 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.179 -9.330 -0.320 1.00 0.00 H new