USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 664 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 6 HIS : no HE2:sc= -0.46 K(o=-0.46,f=-1.1) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -5.71! C(o=-5.7!,f=-5.7!) USER MOD Single : A 15 CYS SG : rot -100:sc= -2.94 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 1.02 K(o=1,f=-7.8!) USER MOD Single : A 23 THR OG1 : rot 116:sc= 0.235 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 35 THR OG1 : rot 30:sc= 0.113 USER MOD Single : A 36 ASN : amide:sc= 0.431 K(o=0.43,f=-6.3!) USER MOD Single : A 38 ASN :FLIP amide:sc=-0.00686 F(o=-1.1,f=-0.0069) USER MOD Single : A 42 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.401 USER MOD Single : A 47 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.13) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 146:sc= -1.02 (180deg=-3.22!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.27) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.437 13.529 -3.260 1.00 0.00 N ATOM 78 CA HIS A 6 -5.148 12.247 -3.179 1.00 0.00 C ATOM 79 C HIS A 6 -4.177 11.072 -3.273 1.00 0.00 C ATOM 80 O HIS A 6 -3.409 10.964 -4.231 1.00 0.00 O ATOM 81 CB HIS A 6 -6.208 12.130 -4.286 1.00 0.00 C ATOM 82 CG HIS A 6 -7.028 13.371 -4.503 1.00 0.00 C ATOM 83 ND1 HIS A 6 -7.130 14.391 -3.580 1.00 0.00 N ATOM 84 CD2 HIS A 6 -7.791 13.748 -5.557 1.00 0.00 C ATOM 85 CE1 HIS A 6 -7.918 15.338 -4.057 1.00 0.00 C ATOM 86 NE2 HIS A 6 -8.332 14.973 -5.254 1.00 0.00 N ATOM 0 HA HIS A 6 -5.646 12.215 -2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.711 11.871 -5.221 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.878 11.306 -4.043 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -6.669 14.411 -2.670 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.945 13.188 -6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.179 16.256 -3.552 1.00 0.00 H new ATOM 95 N ILE A 7 -4.220 10.188 -2.277 1.00 0.00 N ATOM 96 CA ILE A 7 -3.346 9.016 -2.256 1.00 0.00 C ATOM 97 C ILE A 7 -3.993 7.848 -2.990 1.00 0.00 C ATOM 98 O ILE A 7 -4.996 7.296 -2.535 1.00 0.00 O ATOM 99 CB ILE A 7 -2.996 8.587 -0.814 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.478 9.791 -0.018 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.968 7.462 -0.829 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.075 10.223 -0.397 1.00 0.00 C ATOM 0 H ILE A 7 -4.848 10.261 -1.477 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.423 9.297 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.897 8.215 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.158 10.630 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.498 9.547 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.732 7.171 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.375 6.605 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.061 7.805 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.782 11.079 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.382 9.400 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.052 10.500 -1.451 1.00 0.00 H new ATOM 114 N THR A 8 -3.416 7.489 -4.133 1.00 0.00 N ATOM 115 CA THR A 8 -3.937 6.394 -4.947 1.00 0.00 C ATOM 116 C THR A 8 -3.466 5.039 -4.423 1.00 0.00 C ATOM 117 O THR A 8 -2.326 4.632 -4.653 1.00 0.00 O ATOM 118 CB THR A 8 -3.508 6.560 -6.409 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.885 7.833 -6.904 1.00 0.00 O ATOM 120 CG2 THR A 8 -4.104 5.514 -7.329 1.00 0.00 C ATOM 0 H THR A 8 -2.586 7.941 -4.517 1.00 0.00 H new ATOM 0 HA THR A 8 -5.025 6.428 -4.885 1.00 0.00 H new ATOM 0 HB THR A 8 -2.424 6.445 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.600 7.918 -7.838 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.761 5.688 -8.349 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.789 4.522 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.192 5.578 -7.296 1.00 0.00 H new ATOM 128 N VAL A 9 -4.359 4.338 -3.727 1.00 0.00 N ATOM 129 CA VAL A 9 -4.047 3.023 -3.180 1.00 0.00 C ATOM 130 C VAL A 9 -4.991 1.968 -3.754 1.00 0.00 C ATOM 131 O VAL A 9 -6.165 1.897 -3.385 1.00 0.00 O ATOM 132 CB VAL A 9 -4.117 3.016 -1.637 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.504 3.411 -1.146 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.711 1.653 -1.087 1.00 0.00 C ATOM 0 H VAL A 9 -5.306 4.661 -3.529 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.024 2.782 -3.469 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.411 3.759 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.522 3.397 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.743 4.414 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.241 2.705 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.767 1.669 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.385 0.889 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.690 1.426 -1.395 1.00 0.00 H new ATOM 144 N GLN A 10 -4.474 1.161 -4.676 1.00 0.00 N ATOM 145 CA GLN A 10 -5.274 0.125 -5.318 1.00 0.00 C ATOM 146 C GLN A 10 -4.602 -1.247 -5.226 1.00 0.00 C ATOM 147 O GLN A 10 -3.399 -1.348 -4.976 1.00 0.00 O ATOM 148 CB GLN A 10 -5.524 0.498 -6.782 1.00 0.00 C ATOM 149 CG GLN A 10 -4.253 0.710 -7.586 1.00 0.00 C ATOM 150 CD GLN A 10 -3.925 2.173 -7.805 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.664 2.894 -8.475 1.00 0.00 O ATOM 152 NE2 GLN A 10 -2.807 2.616 -7.239 1.00 0.00 N ATOM 0 H GLN A 10 -3.506 1.205 -4.994 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.226 0.058 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.113 -0.289 -7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.122 1.409 -6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.420 0.230 -7.071 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.356 0.218 -8.553 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.226 1.981 -6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.530 3.591 -7.351 1.00 0.00 H new ATOM 161 N PHE A 11 -5.394 -2.300 -5.434 1.00 0.00 N ATOM 162 CA PHE A 11 -4.888 -3.672 -5.381 1.00 0.00 C ATOM 163 C PHE A 11 -5.009 -4.351 -6.742 1.00 0.00 C ATOM 164 O PHE A 11 -5.803 -3.933 -7.589 1.00 0.00 O ATOM 165 CB PHE A 11 -5.650 -4.487 -4.330 1.00 0.00 C ATOM 166 CG PHE A 11 -5.544 -3.928 -2.937 1.00 0.00 C ATOM 167 CD1 PHE A 11 -6.370 -2.891 -2.527 1.00 0.00 C ATOM 168 CD2 PHE A 11 -4.621 -4.437 -2.038 1.00 0.00 C ATOM 169 CE1 PHE A 11 -6.275 -2.375 -1.249 1.00 0.00 C ATOM 170 CE2 PHE A 11 -4.522 -3.925 -0.759 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.350 -2.892 -0.364 1.00 0.00 C ATOM 0 H PHE A 11 -6.390 -2.228 -5.641 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.835 -3.627 -5.104 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.701 -4.536 -4.613 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.272 -5.509 -4.331 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.095 -2.483 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.971 -5.244 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.924 -1.568 -0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.798 -4.332 -0.068 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.274 -2.490 0.635 1.00 0.00 H new ATOM 181 N ALA A 12 -4.221 -5.406 -6.945 1.00 0.00 N ATOM 182 CA ALA A 12 -4.242 -6.152 -8.201 1.00 0.00 C ATOM 183 C ALA A 12 -4.947 -7.496 -8.034 1.00 0.00 C ATOM 184 O ALA A 12 -5.344 -7.864 -6.926 1.00 0.00 O ATOM 185 CB ALA A 12 -2.823 -6.359 -8.715 1.00 0.00 C ATOM 0 H ALA A 12 -3.560 -5.763 -6.255 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.802 -5.568 -8.931 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.853 -6.916 -9.651 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.352 -5.390 -8.884 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.247 -6.919 -7.978 1.00 0.00 H new ATOM 191 N GLY A 13 -5.090 -8.225 -9.145 1.00 0.00 N ATOM 192 CA GLY A 13 -5.740 -9.527 -9.116 1.00 0.00 C ATOM 193 C GLY A 13 -5.089 -10.480 -8.131 1.00 0.00 C ATOM 194 O GLY A 13 -4.077 -11.108 -8.447 1.00 0.00 O ATOM 0 H GLY A 13 -4.765 -7.933 -10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.790 -9.399 -8.853 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.712 -9.966 -10.113 1.00 0.00 H new ATOM 198 N GLY A 14 -5.666 -10.577 -6.933 1.00 0.00 N ATOM 199 CA GLY A 14 -5.119 -11.449 -5.909 1.00 0.00 C ATOM 200 C GLY A 14 -4.867 -10.731 -4.591 1.00 0.00 C ATOM 201 O GLY A 14 -4.933 -11.347 -3.525 1.00 0.00 O ATOM 0 H GLY A 14 -6.504 -10.066 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.807 -12.278 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.184 -11.879 -6.267 1.00 0.00 H new ATOM 205 N CYS A 15 -4.579 -9.428 -4.659 1.00 0.00 N ATOM 206 CA CYS A 15 -4.317 -8.634 -3.458 1.00 0.00 C ATOM 207 C CYS A 15 -5.574 -7.905 -2.981 1.00 0.00 C ATOM 208 O CYS A 15 -5.721 -7.633 -1.788 1.00 0.00 O ATOM 209 CB CYS A 15 -3.191 -7.630 -3.717 1.00 0.00 C ATOM 210 SG CYS A 15 -1.888 -7.649 -2.463 1.00 0.00 S ATOM 0 H CYS A 15 -4.522 -8.903 -5.532 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.008 -9.320 -2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.748 -7.840 -4.690 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.616 -6.628 -3.770 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.069 -6.664 -1.634 1.00 0.00 H new ATOM 216 N GLU A 16 -6.483 -7.593 -3.909 1.00 0.00 N ATOM 217 CA GLU A 16 -7.729 -6.902 -3.565 1.00 0.00 C ATOM 218 C GLU A 16 -8.548 -7.706 -2.551 1.00 0.00 C ATOM 219 O GLU A 16 -9.310 -7.136 -1.767 1.00 0.00 O ATOM 220 CB GLU A 16 -8.560 -6.640 -4.826 1.00 0.00 C ATOM 221 CG GLU A 16 -9.136 -7.900 -5.464 1.00 0.00 C ATOM 222 CD GLU A 16 -8.548 -8.202 -6.832 1.00 0.00 C ATOM 223 OE1 GLU A 16 -8.350 -7.256 -7.623 1.00 0.00 O ATOM 224 OE2 GLU A 16 -8.289 -9.392 -7.113 1.00 0.00 O ATOM 0 H GLU A 16 -6.380 -7.807 -4.901 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.467 -5.948 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.379 -5.966 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.937 -6.127 -5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.956 -8.748 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.217 -7.791 -5.556 1.00 0.00 H new ATOM 231 N LEU A 17 -8.383 -9.030 -2.570 1.00 0.00 N ATOM 232 CA LEU A 17 -9.102 -9.916 -1.655 1.00 0.00 C ATOM 233 C LEU A 17 -8.652 -9.728 -0.198 1.00 0.00 C ATOM 234 O LEU A 17 -9.282 -10.259 0.715 1.00 0.00 O ATOM 235 CB LEU A 17 -8.906 -11.376 -2.069 1.00 0.00 C ATOM 236 CG LEU A 17 -9.735 -11.833 -3.273 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.877 -11.869 -4.530 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.354 -13.198 -3.003 1.00 0.00 C ATOM 0 H LEU A 17 -7.755 -9.513 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.158 -9.654 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.851 -11.534 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.149 -12.013 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.541 -11.116 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.483 -12.196 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.483 -10.873 -4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.050 -12.564 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.940 -13.509 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.564 -13.926 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.002 -13.137 -2.129 1.00 0.00 H new ATOM 250 N LEU A 18 -7.565 -8.977 0.020 1.00 0.00 N ATOM 251 CA LEU A 18 -7.054 -8.741 1.374 1.00 0.00 C ATOM 252 C LEU A 18 -7.822 -7.627 2.105 1.00 0.00 C ATOM 253 O LEU A 18 -7.375 -7.144 3.146 1.00 0.00 O ATOM 254 CB LEU A 18 -5.561 -8.391 1.326 1.00 0.00 C ATOM 255 CG LEU A 18 -4.670 -9.395 0.589 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.245 -8.868 0.486 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.688 -10.746 1.293 1.00 0.00 C ATOM 0 H LEU A 18 -7.026 -8.526 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.200 -9.665 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.450 -7.416 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.196 -8.291 2.348 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.064 -9.527 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.626 -9.594 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.244 -7.926 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.844 -8.706 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.049 -11.446 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.320 -10.630 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.708 -11.130 1.317 1.00 0.00 H new ATOM 269 N PHE A 19 -8.977 -7.224 1.567 1.00 0.00 N ATOM 270 CA PHE A 19 -9.790 -6.176 2.182 1.00 0.00 C ATOM 271 C PHE A 19 -11.264 -6.411 1.882 1.00 0.00 C ATOM 272 O PHE A 19 -12.058 -6.655 2.790 1.00 0.00 O ATOM 273 CB PHE A 19 -9.349 -4.796 1.676 1.00 0.00 C ATOM 274 CG PHE A 19 -10.101 -3.648 2.295 1.00 0.00 C ATOM 275 CD1 PHE A 19 -9.993 -3.379 3.651 1.00 0.00 C ATOM 276 CD2 PHE A 19 -10.913 -2.835 1.518 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.680 -2.323 4.220 1.00 0.00 C ATOM 278 CE2 PHE A 19 -11.602 -1.779 2.083 1.00 0.00 C ATOM 279 CZ PHE A 19 -11.486 -1.522 3.434 1.00 0.00 C ATOM 0 H PHE A 19 -9.368 -7.609 0.707 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.648 -6.208 3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.285 -4.670 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.476 -4.759 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.365 -4.002 4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.008 -3.030 0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.587 -2.124 5.277 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.232 -1.154 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.024 -0.696 3.876 1.00 0.00 H new ATOM 289 N ALA A 20 -11.616 -6.345 0.602 1.00 0.00 N ATOM 290 CA ALA A 20 -12.992 -6.560 0.170 1.00 0.00 C ATOM 291 C ALA A 20 -13.096 -6.565 -1.356 1.00 0.00 C ATOM 292 O ALA A 20 -14.062 -6.050 -1.925 1.00 0.00 O ATOM 293 CB ALA A 20 -13.900 -5.492 0.771 1.00 0.00 C ATOM 0 H ALA A 20 -10.964 -6.144 -0.157 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.317 -7.538 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.926 -5.660 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.853 -5.545 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.571 -4.507 0.441 1.00 0.00 H new ATOM 299 N LYS A 21 -12.088 -7.148 -2.013 1.00 0.00 N ATOM 300 CA LYS A 21 -12.047 -7.221 -3.474 1.00 0.00 C ATOM 301 C LYS A 21 -12.266 -5.840 -4.099 1.00 0.00 C ATOM 302 O LYS A 21 -12.877 -5.717 -5.164 1.00 0.00 O ATOM 303 CB LYS A 21 -13.092 -8.215 -3.990 1.00 0.00 C ATOM 304 CG LYS A 21 -13.083 -9.548 -3.251 1.00 0.00 C ATOM 305 CD LYS A 21 -14.098 -9.567 -2.118 1.00 0.00 C ATOM 306 CE LYS A 21 -14.701 -10.951 -1.933 1.00 0.00 C ATOM 307 NZ LYS A 21 -13.888 -11.797 -1.015 1.00 0.00 N ATOM 0 H LYS A 21 -11.286 -7.578 -1.551 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.058 -7.572 -3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.082 -7.767 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.917 -8.396 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.303 -10.354 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.087 -9.736 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.617 -9.252 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.891 -8.848 -2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.712 -10.856 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.783 -11.443 -2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.335 -12.731 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.930 -11.910 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.831 -11.341 -0.082 1.00 0.00 H new ATOM 321 N GLN A 22 -11.759 -4.802 -3.428 1.00 0.00 N ATOM 322 CA GLN A 22 -11.895 -3.433 -3.910 1.00 0.00 C ATOM 323 C GLN A 22 -11.000 -3.187 -5.121 1.00 0.00 C ATOM 324 O GLN A 22 -10.320 -4.097 -5.600 1.00 0.00 O ATOM 325 CB GLN A 22 -11.552 -2.440 -2.793 1.00 0.00 C ATOM 326 CG GLN A 22 -12.766 -1.728 -2.218 1.00 0.00 C ATOM 327 CD GLN A 22 -13.217 -0.545 -3.063 1.00 0.00 C ATOM 328 OE1 GLN A 22 -12.780 -0.375 -4.202 1.00 0.00 O ATOM 329 NE2 GLN A 22 -14.098 0.280 -2.508 1.00 0.00 N ATOM 0 H GLN A 22 -11.250 -4.889 -2.548 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.931 -3.284 -4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.039 -2.971 -1.991 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.855 -1.697 -3.180 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.588 -2.438 -2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.534 -1.381 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.436 0.104 -1.562 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.437 1.089 -3.028 1.00 0.00 H new ATOM 338 N THR A 23 -11.001 -1.952 -5.614 1.00 0.00 N ATOM 339 CA THR A 23 -10.188 -1.589 -6.768 1.00 0.00 C ATOM 340 C THR A 23 -9.126 -0.560 -6.385 1.00 0.00 C ATOM 341 O THR A 23 -7.961 -0.909 -6.206 1.00 0.00 O ATOM 342 CB THR A 23 -11.074 -1.060 -7.906 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.872 0.031 -7.466 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.004 -2.108 -8.483 1.00 0.00 C ATOM 0 H THR A 23 -11.556 -1.186 -5.232 1.00 0.00 H new ATOM 0 HA THR A 23 -9.676 -2.485 -7.119 1.00 0.00 H new ATOM 0 HB THR A 23 -10.378 -0.748 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.617 0.841 -7.955 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.600 -1.666 -9.281 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.417 -2.935 -8.883 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.665 -2.479 -7.700 1.00 0.00 H new ATOM 352 N SER A 24 -9.534 0.705 -6.257 1.00 0.00 N ATOM 353 CA SER A 24 -8.607 1.777 -5.894 1.00 0.00 C ATOM 354 C SER A 24 -9.215 2.702 -4.844 1.00 0.00 C ATOM 355 O SER A 24 -10.435 2.744 -4.666 1.00 0.00 O ATOM 356 CB SER A 24 -8.222 2.585 -7.137 1.00 0.00 C ATOM 357 OG SER A 24 -9.322 3.332 -7.626 1.00 0.00 O ATOM 0 H SER A 24 -10.497 1.010 -6.399 1.00 0.00 H new ATOM 0 HA SER A 24 -7.714 1.318 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.400 3.259 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.863 1.911 -7.915 1.00 0.00 H new ATOM 0 HG SER A 24 -9.047 3.839 -8.418 1.00 0.00 H new ATOM 363 N LEU A 25 -8.353 3.446 -4.148 1.00 0.00 N ATOM 364 CA LEU A 25 -8.805 4.377 -3.115 1.00 0.00 C ATOM 365 C LEU A 25 -8.039 5.699 -3.190 1.00 0.00 C ATOM 366 O LEU A 25 -6.890 5.736 -3.632 1.00 0.00 O ATOM 367 CB LEU A 25 -8.637 3.750 -1.729 1.00 0.00 C ATOM 368 CG LEU A 25 -9.933 3.271 -1.072 1.00 0.00 C ATOM 369 CD1 LEU A 25 -10.209 1.816 -1.424 1.00 0.00 C ATOM 370 CD2 LEU A 25 -9.865 3.452 0.439 1.00 0.00 C ATOM 0 H LEU A 25 -7.342 3.422 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.861 4.586 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.955 2.904 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.163 4.480 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.754 3.877 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.135 1.496 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.304 1.715 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.386 1.194 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.795 3.106 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.032 2.873 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.719 4.507 0.673 1.00 0.00 H new ATOM 382 N GLN A 26 -8.688 6.781 -2.749 1.00 0.00 N ATOM 383 CA GLN A 26 -8.079 8.107 -2.757 1.00 0.00 C ATOM 384 C GLN A 26 -8.298 8.805 -1.416 1.00 0.00 C ATOM 385 O GLN A 26 -9.379 9.336 -1.150 1.00 0.00 O ATOM 386 CB GLN A 26 -8.662 8.954 -3.892 1.00 0.00 C ATOM 387 CG GLN A 26 -7.865 8.869 -5.185 1.00 0.00 C ATOM 388 CD GLN A 26 -8.680 8.308 -6.337 1.00 0.00 C ATOM 389 OE1 GLN A 26 -8.924 7.106 -6.408 1.00 0.00 O ATOM 390 NE2 GLN A 26 -9.104 9.181 -7.247 1.00 0.00 N ATOM 0 H GLN A 26 -9.639 6.760 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.007 7.992 -2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.686 8.634 -4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.708 9.995 -3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.503 9.862 -5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.988 8.242 -5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.878 10.171 -7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.655 8.861 -8.043 1.00 0.00 H new ATOM 399 N LEU A 27 -7.269 8.791 -0.571 1.00 0.00 N ATOM 400 CA LEU A 27 -7.349 9.415 0.746 1.00 0.00 C ATOM 401 C LEU A 27 -6.729 10.811 0.727 1.00 0.00 C ATOM 402 O LEU A 27 -5.686 11.027 0.104 1.00 0.00 O ATOM 403 CB LEU A 27 -6.644 8.543 1.792 1.00 0.00 C ATOM 404 CG LEU A 27 -7.146 7.098 1.882 1.00 0.00 C ATOM 405 CD1 LEU A 27 -6.094 6.207 2.525 1.00 0.00 C ATOM 406 CD2 LEU A 27 -8.453 7.033 2.660 1.00 0.00 C ATOM 0 H LEU A 27 -6.370 8.354 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.402 9.509 1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.577 8.527 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.758 9.012 2.769 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.332 6.735 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.468 5.185 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.184 6.228 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.876 6.569 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.794 5.999 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.296 7.416 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.207 7.638 2.156 1.00 0.00 H new ATOM 504 N THR A 35 5.888 11.667 5.971 1.00 0.00 N ATOM 505 CA THR A 35 5.614 10.241 6.133 1.00 0.00 C ATOM 506 C THR A 35 6.154 9.447 4.943 1.00 0.00 C ATOM 507 O THR A 35 6.142 9.927 3.809 1.00 0.00 O ATOM 508 CB THR A 35 4.105 10.003 6.281 1.00 0.00 C ATOM 509 OG1 THR A 35 3.581 10.752 7.366 1.00 0.00 O ATOM 510 CG2 THR A 35 3.744 8.551 6.513 1.00 0.00 C ATOM 0 HA THR A 35 6.118 9.897 7.036 1.00 0.00 H new ATOM 0 HB THR A 35 3.672 10.322 5.333 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.110 11.569 7.485 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.662 8.456 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.088 7.951 5.670 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.221 8.199 7.428 1.00 0.00 H new ATOM 518 N ASN A 36 6.625 8.232 5.213 1.00 0.00 N ATOM 519 CA ASN A 36 7.170 7.363 4.171 1.00 0.00 C ATOM 520 C ASN A 36 6.226 6.194 3.887 1.00 0.00 C ATOM 521 O ASN A 36 5.111 6.147 4.412 1.00 0.00 O ATOM 522 CB ASN A 36 8.554 6.843 4.586 1.00 0.00 C ATOM 523 CG ASN A 36 8.519 5.983 5.842 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.474 5.827 6.479 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.664 5.416 6.205 1.00 0.00 N ATOM 0 H ASN A 36 6.640 7.825 6.148 1.00 0.00 H new ATOM 0 HA ASN A 36 7.272 7.947 3.256 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.977 6.262 3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.219 7.691 4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.700 4.827 7.037 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.507 5.569 5.652 1.00 0.00 H new ATOM 532 N LEU A 37 6.675 5.253 3.053 1.00 0.00 N ATOM 533 CA LEU A 37 5.866 4.088 2.705 1.00 0.00 C ATOM 534 C LEU A 37 5.469 3.306 3.951 1.00 0.00 C ATOM 535 O LEU A 37 4.342 2.826 4.054 1.00 0.00 O ATOM 536 CB LEU A 37 6.628 3.177 1.742 1.00 0.00 C ATOM 537 CG LEU A 37 5.780 2.094 1.069 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.127 1.989 -0.408 1.00 0.00 C ATOM 539 CD2 LEU A 37 5.972 0.752 1.767 1.00 0.00 C ATOM 0 H LEU A 37 7.593 5.277 2.608 1.00 0.00 H new ATOM 0 HA LEU A 37 4.959 4.445 2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.085 3.793 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.440 2.695 2.287 1.00 0.00 H new ATOM 0 HG LEU A 37 4.730 2.374 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.515 1.215 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.934 2.944 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.181 1.732 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.361 -0.005 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.021 0.462 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.671 0.838 2.811 1.00 0.00 H new ATOM 551 N ASN A 38 6.401 3.194 4.899 1.00 0.00 N ATOM 552 CA ASN A 38 6.146 2.484 6.149 1.00 0.00 C ATOM 553 C ASN A 38 4.911 3.055 6.840 1.00 0.00 C ATOM 554 O ASN A 38 4.106 2.317 7.412 1.00 0.00 O ATOM 555 CB ASN A 38 7.358 2.584 7.080 1.00 0.00 C ATOM 556 CG ASN A 38 7.411 1.451 8.084 1.00 0.00 C ATOM 557 OD1 ASN A 38 7.554 0.225 7.591 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 7.325 1.672 9.291 1.00 0.00 N flip ATOM 0 H ASN A 38 7.339 3.587 4.823 1.00 0.00 H new ATOM 0 HA ASN A 38 5.968 1.434 5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.271 2.581 6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.327 3.535 7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.216 2.629 9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.363 0.899 9.955 1.00 0.00 H new ATOM 565 N GLY A 39 4.764 4.376 6.762 1.00 0.00 N ATOM 566 CA GLY A 39 3.624 5.043 7.358 1.00 0.00 C ATOM 567 C GLY A 39 2.373 4.902 6.511 1.00 0.00 C ATOM 568 O GLY A 39 1.264 4.844 7.041 1.00 0.00 O ATOM 0 H GLY A 39 5.422 4.998 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.439 4.628 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.853 6.100 7.493 1.00 0.00 H new ATOM 572 N LEU A 40 2.549 4.841 5.186 1.00 0.00 N ATOM 573 CA LEU A 40 1.422 4.701 4.269 1.00 0.00 C ATOM 574 C LEU A 40 0.770 3.326 4.414 1.00 0.00 C ATOM 575 O LEU A 40 -0.441 3.228 4.619 1.00 0.00 O ATOM 576 CB LEU A 40 1.873 4.925 2.822 1.00 0.00 C ATOM 577 CG LEU A 40 0.762 4.805 1.771 1.00 0.00 C ATOM 578 CD1 LEU A 40 -0.288 5.886 1.980 1.00 0.00 C ATOM 579 CD2 LEU A 40 1.346 4.882 0.368 1.00 0.00 C ATOM 0 H LEU A 40 3.460 4.887 4.730 1.00 0.00 H new ATOM 0 HA LEU A 40 0.683 5.460 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.319 5.917 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.656 4.204 2.585 1.00 0.00 H new ATOM 0 HG LEU A 40 0.279 3.835 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.068 5.786 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.727 5.780 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.178 6.868 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.544 4.795 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.855 5.837 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.058 4.069 0.225 1.00 0.00 H new ATOM 591 N VAL A 41 1.579 2.268 4.311 1.00 0.00 N ATOM 592 CA VAL A 41 1.064 0.903 4.438 1.00 0.00 C ATOM 593 C VAL A 41 0.373 0.707 5.781 1.00 0.00 C ATOM 594 O VAL A 41 -0.804 0.357 5.830 1.00 0.00 O ATOM 595 CB VAL A 41 2.165 -0.176 4.277 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.371 -0.506 2.807 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.478 0.249 4.926 1.00 0.00 C ATOM 0 H VAL A 41 2.583 2.329 4.142 1.00 0.00 H new ATOM 0 HA VAL A 41 0.349 0.777 3.625 1.00 0.00 H new ATOM 0 HB VAL A 41 1.826 -1.073 4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.147 -1.265 2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.440 -0.883 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.674 0.393 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.222 -0.536 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.832 1.169 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.319 0.418 5.991 1.00 0.00 H new ATOM 607 N GLN A 42 1.106 0.949 6.870 1.00 0.00 N ATOM 608 CA GLN A 42 0.555 0.810 8.220 1.00 0.00 C ATOM 609 C GLN A 42 -0.770 1.567 8.364 1.00 0.00 C ATOM 610 O GLN A 42 -1.653 1.149 9.114 1.00 0.00 O ATOM 611 CB GLN A 42 1.563 1.319 9.254 1.00 0.00 C ATOM 612 CG GLN A 42 1.205 0.956 10.687 1.00 0.00 C ATOM 613 CD GLN A 42 0.655 2.133 11.474 1.00 0.00 C ATOM 614 OE1 GLN A 42 0.188 3.118 10.900 1.00 0.00 O ATOM 615 NE2 GLN A 42 0.706 2.036 12.798 1.00 0.00 N ATOM 0 H GLN A 42 2.083 1.242 6.843 1.00 0.00 H new ATOM 0 HA GLN A 42 0.360 -0.248 8.395 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.547 0.912 9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.639 2.403 9.171 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.467 0.153 10.680 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.091 0.570 11.191 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.101 1.202 13.233 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.350 2.795 13.379 1.00 0.00 H new ATOM 624 N LEU A 43 -0.900 2.680 7.636 1.00 0.00 N ATOM 625 CA LEU A 43 -2.114 3.497 7.679 1.00 0.00 C ATOM 626 C LEU A 43 -3.293 2.807 6.981 1.00 0.00 C ATOM 627 O LEU A 43 -4.447 3.057 7.325 1.00 0.00 O ATOM 628 CB LEU A 43 -1.852 4.862 7.032 1.00 0.00 C ATOM 629 CG LEU A 43 -2.978 5.890 7.183 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.887 6.592 8.531 1.00 0.00 C ATOM 631 CD2 LEU A 43 -2.930 6.903 6.046 1.00 0.00 C ATOM 0 H LEU A 43 -0.178 3.035 7.009 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.382 3.633 8.727 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.942 5.280 7.462 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.662 4.711 5.969 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.932 5.365 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.695 7.318 8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.972 5.856 9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.929 7.105 8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.737 7.626 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.972 7.422 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.047 6.387 5.093 1.00 0.00 H new ATOM 643 N LEU A 44 -3.006 1.945 6.002 1.00 0.00 N ATOM 644 CA LEU A 44 -4.065 1.244 5.272 1.00 0.00 C ATOM 645 C LEU A 44 -4.312 -0.159 5.831 1.00 0.00 C ATOM 646 O LEU A 44 -5.458 -0.587 5.930 1.00 0.00 O ATOM 647 CB LEU A 44 -3.748 1.184 3.768 1.00 0.00 C ATOM 648 CG LEU A 44 -2.799 0.064 3.317 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.560 -1.241 3.114 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.078 0.466 2.038 1.00 0.00 C ATOM 0 H LEU A 44 -2.059 1.717 5.699 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.983 1.815 5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.687 1.077 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.315 2.139 3.471 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.057 -0.094 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.868 -2.020 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.032 -1.537 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.325 -1.101 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.409 -0.337 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.809 0.651 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.499 1.372 2.216 1.00 0.00 H new ATOM 662 N LYS A 45 -3.246 -0.875 6.184 1.00 0.00 N ATOM 663 CA LYS A 45 -3.391 -2.227 6.718 1.00 0.00 C ATOM 664 C LYS A 45 -3.675 -2.206 8.222 1.00 0.00 C ATOM 665 O LYS A 45 -4.791 -2.493 8.644 1.00 0.00 O ATOM 666 CB LYS A 45 -2.154 -3.085 6.406 1.00 0.00 C ATOM 667 CG LYS A 45 -0.828 -2.341 6.440 1.00 0.00 C ATOM 668 CD LYS A 45 0.305 -3.236 6.913 1.00 0.00 C ATOM 669 CE LYS A 45 1.608 -2.463 7.047 1.00 0.00 C ATOM 670 NZ LYS A 45 2.333 -2.807 8.303 1.00 0.00 N ATOM 0 H LYS A 45 -2.283 -0.546 6.111 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.249 -2.682 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.111 -3.906 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.279 -3.529 5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.599 -1.959 5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.911 -1.479 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.043 -3.679 7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.439 -4.058 6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.246 -2.676 6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.399 -1.393 7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.215 -2.259 8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.735 -2.580 9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.556 -3.823 8.308 1.00 0.00 H new ATOM 684 N THR A 46 -2.673 -1.862 9.028 1.00 0.00 N ATOM 685 CA THR A 46 -2.841 -1.812 10.484 1.00 0.00 C ATOM 686 C THR A 46 -4.038 -0.944 10.897 1.00 0.00 C ATOM 687 O THR A 46 -4.569 -1.104 11.997 1.00 0.00 O ATOM 688 CB THR A 46 -1.565 -1.292 11.153 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.428 -1.999 10.686 1.00 0.00 O ATOM 690 CG2 THR A 46 -1.586 -1.408 12.662 1.00 0.00 C ATOM 0 H THR A 46 -1.739 -1.614 8.702 1.00 0.00 H new ATOM 0 HA THR A 46 -3.037 -2.830 10.820 1.00 0.00 H new ATOM 0 HB THR A 46 -1.513 -0.236 10.887 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.308 -1.892 11.324 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.652 -1.022 13.070 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.421 -0.832 13.060 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.700 -2.454 12.945 1.00 0.00 H new ATOM 698 N ASN A 47 -4.458 -0.029 10.021 1.00 0.00 N ATOM 699 CA ASN A 47 -5.585 0.847 10.319 1.00 0.00 C ATOM 700 C ASN A 47 -6.866 0.392 9.618 1.00 0.00 C ATOM 701 O ASN A 47 -7.963 0.613 10.134 1.00 0.00 O ATOM 702 CB ASN A 47 -5.256 2.286 9.914 1.00 0.00 C ATOM 703 CG ASN A 47 -5.406 3.263 11.066 1.00 0.00 C ATOM 704 OD1 ASN A 47 -6.355 3.179 11.845 1.00 0.00 O ATOM 705 ND2 ASN A 47 -4.470 4.197 11.179 1.00 0.00 N ATOM 0 H ASN A 47 -4.035 0.122 9.105 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.759 0.798 11.394 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.235 2.329 9.536 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -5.911 2.589 9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -4.521 4.881 11.934 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -3.700 4.231 10.511 1.00 0.00 H new ATOM 712 N TYR A 48 -6.734 -0.220 8.436 1.00 0.00 N ATOM 713 CA TYR A 48 -7.907 -0.668 7.682 1.00 0.00 C ATOM 714 C TYR A 48 -7.674 -2.007 6.973 1.00 0.00 C ATOM 715 O TYR A 48 -7.928 -2.134 5.773 1.00 0.00 O ATOM 716 CB TYR A 48 -8.302 0.400 6.656 1.00 0.00 C ATOM 717 CG TYR A 48 -8.508 1.775 7.249 1.00 0.00 C ATOM 718 CD1 TYR A 48 -9.682 2.096 7.915 1.00 0.00 C ATOM 719 CD2 TYR A 48 -7.527 2.754 7.139 1.00 0.00 C ATOM 720 CE1 TYR A 48 -9.876 3.351 8.454 1.00 0.00 C ATOM 721 CE2 TYR A 48 -7.712 4.013 7.677 1.00 0.00 C ATOM 722 CZ TYR A 48 -8.888 4.307 8.334 1.00 0.00 C ATOM 723 OH TYR A 48 -9.079 5.560 8.870 1.00 0.00 O ATOM 0 H TYR A 48 -5.839 -0.414 7.987 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.714 -0.818 8.399 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.528 0.458 5.891 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.220 0.089 6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.457 1.351 8.013 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.605 2.527 6.624 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.797 3.584 8.968 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.940 4.762 7.583 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.288 6.113 8.699 1.00 0.00 H new ATOM 733 N VAL A 49 -7.207 -3.009 7.714 1.00 0.00 N ATOM 734 CA VAL A 49 -6.965 -4.334 7.143 1.00 0.00 C ATOM 735 C VAL A 49 -8.109 -5.287 7.485 1.00 0.00 C ATOM 736 O VAL A 49 -8.390 -5.542 8.656 1.00 0.00 O ATOM 737 CB VAL A 49 -5.620 -4.941 7.619 1.00 0.00 C ATOM 738 CG1 VAL A 49 -5.605 -5.144 9.130 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.332 -6.248 6.894 1.00 0.00 C ATOM 0 H VAL A 49 -6.989 -2.931 8.707 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.910 -4.205 6.062 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.830 -4.231 7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.648 -5.571 9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.746 -4.184 9.627 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.410 -5.822 9.414 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.384 -6.656 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.131 -6.961 7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.275 -6.064 5.821 1.00 0.00 H new ATOM 749 N LYS A 50 -8.766 -5.809 6.449 1.00 0.00 N ATOM 750 CA LYS A 50 -9.882 -6.734 6.637 1.00 0.00 C ATOM 751 C LYS A 50 -9.439 -8.183 6.410 1.00 0.00 C ATOM 752 O LYS A 50 -10.221 -9.023 5.960 1.00 0.00 O ATOM 753 CB LYS A 50 -11.034 -6.369 5.695 1.00 0.00 C ATOM 754 CG LYS A 50 -12.162 -5.617 6.381 1.00 0.00 C ATOM 755 CD LYS A 50 -13.524 -6.050 5.859 1.00 0.00 C ATOM 756 CE LYS A 50 -14.535 -4.917 5.935 1.00 0.00 C ATOM 757 NZ LYS A 50 -15.936 -5.407 5.798 1.00 0.00 N ATOM 0 H LYS A 50 -8.545 -5.607 5.474 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.229 -6.648 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.646 -5.760 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.433 -7.281 5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.113 -5.788 7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.035 -4.546 6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.429 -6.386 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.884 -6.900 6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.425 -4.396 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.326 -4.192 5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.592 -4.602 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.050 -5.882 4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.145 -6.080 6.563 1.00 0.00 H new ATOM 771 N GLU A 51 -8.179 -8.469 6.739 1.00 0.00 N ATOM 772 CA GLU A 51 -7.625 -9.810 6.586 1.00 0.00 C ATOM 773 C GLU A 51 -6.447 -10.009 7.543 1.00 0.00 C ATOM 774 O GLU A 51 -6.160 -9.139 8.366 1.00 0.00 O ATOM 775 CB GLU A 51 -7.181 -10.044 5.135 1.00 0.00 C ATOM 776 CG GLU A 51 -7.524 -11.429 4.603 1.00 0.00 C ATOM 777 CD GLU A 51 -9.018 -11.644 4.449 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.668 -12.033 5.441 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.536 -11.422 3.339 1.00 0.00 O ATOM 0 H GLU A 51 -7.522 -7.785 7.115 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.400 -10.536 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.648 -9.294 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.103 -9.895 5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.039 -11.573 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.120 -12.183 5.278 1.00 0.00 H new ATOM 786 N ARG A 52 -5.773 -11.155 7.437 1.00 0.00 N ATOM 787 CA ARG A 52 -4.631 -11.454 8.299 1.00 0.00 C ATOM 788 C ARG A 52 -3.501 -10.446 8.083 1.00 0.00 C ATOM 789 O ARG A 52 -2.855 -10.448 7.035 1.00 0.00 O ATOM 790 CB ARG A 52 -4.116 -12.876 8.040 1.00 0.00 C ATOM 791 CG ARG A 52 -4.845 -13.947 8.837 1.00 0.00 C ATOM 792 CD ARG A 52 -6.010 -14.528 8.053 1.00 0.00 C ATOM 793 NE ARG A 52 -6.138 -15.971 8.249 1.00 0.00 N ATOM 794 CZ ARG A 52 -6.584 -16.536 9.375 1.00 0.00 C ATOM 795 NH1 ARG A 52 -6.945 -15.783 10.413 1.00 0.00 N ATOM 796 NH2 ARG A 52 -6.671 -17.860 9.462 1.00 0.00 N ATOM 0 H ARG A 52 -5.998 -11.889 6.765 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.968 -11.381 9.333 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.211 -13.099 6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.054 -12.917 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.149 -14.743 9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.210 -13.521 9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.934 -14.037 8.360 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.874 -14.317 6.992 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.870 -16.584 7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.882 -14.767 10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.284 -16.223 11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.398 -18.442 8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.011 -18.293 10.320 1.00 0.00 H new ATOM 810 N PRO A 53 -3.235 -9.568 9.073 1.00 0.00 N ATOM 811 CA PRO A 53 -2.167 -8.566 8.970 1.00 0.00 C ATOM 812 C PRO A 53 -0.791 -9.203 8.783 1.00 0.00 C ATOM 813 O PRO A 53 0.106 -8.594 8.199 1.00 0.00 O ATOM 814 CB PRO A 53 -2.227 -7.816 10.306 1.00 0.00 C ATOM 815 CG PRO A 53 -2.982 -8.711 11.226 1.00 0.00 C ATOM 816 CD PRO A 53 -3.939 -9.488 10.365 1.00 0.00 C ATOM 0 HA PRO A 53 -2.309 -7.920 8.103 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.227 -7.613 10.688 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.727 -6.854 10.195 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.307 -9.380 11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.518 -8.133 11.979 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.140 -10.477 10.777 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.899 -8.981 10.270 1.00 0.00 H new ATOM 824 N ASP A 54 -0.633 -10.431 9.282 1.00 0.00 N ATOM 825 CA ASP A 54 0.632 -11.150 9.170 1.00 0.00 C ATOM 826 C ASP A 54 0.690 -12.017 7.906 1.00 0.00 C ATOM 827 O ASP A 54 1.626 -12.801 7.733 1.00 0.00 O ATOM 828 CB ASP A 54 0.853 -12.020 10.408 1.00 0.00 C ATOM 829 CG ASP A 54 2.322 -12.267 10.686 1.00 0.00 C ATOM 830 OD1 ASP A 54 3.053 -11.284 10.935 1.00 0.00 O ATOM 831 OD2 ASP A 54 2.744 -13.441 10.652 1.00 0.00 O ATOM 0 H ASP A 54 -1.368 -10.946 9.767 1.00 0.00 H new ATOM 0 HA ASP A 54 1.426 -10.406 9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.398 -11.538 11.273 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.346 -12.975 10.273 1.00 0.00 H new ATOM 836 N LEU A 55 -0.302 -11.882 7.020 1.00 0.00 N ATOM 837 CA LEU A 55 -0.327 -12.665 5.788 1.00 0.00 C ATOM 838 C LEU A 55 0.428 -11.957 4.658 1.00 0.00 C ATOM 839 O LEU A 55 0.938 -12.608 3.748 1.00 0.00 O ATOM 840 CB LEU A 55 -1.774 -12.967 5.365 1.00 0.00 C ATOM 841 CG LEU A 55 -2.489 -11.867 4.568 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.141 -11.957 3.091 1.00 0.00 C ATOM 843 CD2 LEU A 55 -3.995 -11.962 4.760 1.00 0.00 C ATOM 0 H LEU A 55 -1.089 -11.244 7.134 1.00 0.00 H new ATOM 0 HA LEU A 55 0.181 -13.609 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.773 -13.878 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.357 -13.175 6.262 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.149 -10.902 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.659 -11.168 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.065 -11.840 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.449 -12.928 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.485 -11.174 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.345 -12.934 4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.235 -11.846 5.817 1.00 0.00 H new ATOM 855 N LEU A 56 0.500 -10.625 4.721 1.00 0.00 N ATOM 856 CA LEU A 56 1.198 -9.852 3.692 1.00 0.00 C ATOM 857 C LEU A 56 2.589 -9.435 4.148 1.00 0.00 C ATOM 858 O LEU A 56 3.552 -9.569 3.396 1.00 0.00 O ATOM 859 CB LEU A 56 0.407 -8.605 3.281 1.00 0.00 C ATOM 860 CG LEU A 56 -0.242 -7.807 4.418 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.417 -6.352 4.010 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.584 -8.415 4.808 1.00 0.00 C ATOM 0 H LEU A 56 0.088 -10.064 5.466 1.00 0.00 H new ATOM 0 HA LEU A 56 1.291 -10.510 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.076 -7.940 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.376 -8.910 2.587 1.00 0.00 H new ATOM 0 HG LEU A 56 0.417 -7.850 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.879 -5.798 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.557 -5.918 3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.054 -6.296 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.026 -7.833 5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.252 -8.406 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.435 -9.442 5.140 1.00 0.00 H new ATOM 874 N VAL A 57 2.689 -8.911 5.370 1.00 0.00 N ATOM 875 CA VAL A 57 3.974 -8.461 5.899 1.00 0.00 C ATOM 876 C VAL A 57 5.017 -9.569 5.862 1.00 0.00 C ATOM 877 O VAL A 57 4.694 -10.753 5.975 1.00 0.00 O ATOM 878 CB VAL A 57 3.866 -7.927 7.341 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.178 -6.571 7.357 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.141 -8.921 8.237 1.00 0.00 C ATOM 0 H VAL A 57 1.902 -8.789 6.007 1.00 0.00 H new ATOM 0 HA VAL A 57 4.287 -7.644 5.249 1.00 0.00 H new ATOM 0 HB VAL A 57 4.874 -7.800 7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.110 -6.209 8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.754 -5.864 6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.176 -6.667 6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.078 -8.520 9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.136 -9.092 7.852 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.689 -9.863 8.253 1.00 0.00 H new ATOM 890 N ASP A 58 6.270 -9.166 5.706 1.00 0.00 N ATOM 891 CA ASP A 58 7.384 -10.103 5.653 1.00 0.00 C ATOM 892 C ASP A 58 7.522 -10.854 6.975 1.00 0.00 C ATOM 893 O ASP A 58 7.542 -12.084 6.997 1.00 0.00 O ATOM 894 CB ASP A 58 8.682 -9.363 5.324 1.00 0.00 C ATOM 895 CG ASP A 58 9.734 -10.271 4.719 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.390 -11.067 3.817 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.905 -10.187 5.146 1.00 0.00 O ATOM 0 H ASP A 58 6.542 -8.187 5.613 1.00 0.00 H new ATOM 0 HA ASP A 58 7.185 -10.830 4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.467 -8.550 4.630 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.078 -8.910 6.233 1.00 0.00 H new ATOM 902 N GLN A 59 7.597 -10.101 8.073 1.00 0.00 N ATOM 903 CA GLN A 59 7.714 -10.693 9.407 1.00 0.00 C ATOM 904 C GLN A 59 7.719 -9.624 10.495 1.00 0.00 C ATOM 905 O GLN A 59 7.033 -9.759 11.509 1.00 0.00 O ATOM 906 CB GLN A 59 8.983 -11.550 9.515 1.00 0.00 C ATOM 907 CG GLN A 59 8.703 -13.039 9.672 1.00 0.00 C ATOM 908 CD GLN A 59 8.523 -13.457 11.119 1.00 0.00 C ATOM 909 OE1 GLN A 59 7.442 -13.889 11.521 1.00 0.00 O ATOM 910 NE2 GLN A 59 9.582 -13.335 11.914 1.00 0.00 N ATOM 0 H GLN A 59 7.579 -9.081 8.066 1.00 0.00 H new ATOM 0 HA GLN A 59 6.841 -11.329 9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.592 -11.396 8.624 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.571 -11.208 10.367 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.805 -13.296 9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.525 -13.606 9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 59 10.460 -12.973 11.542 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.516 -13.604 12.896 1.00 0.00 H new ATOM 919 N THR A 60 8.497 -8.562 10.286 1.00 0.00 N ATOM 920 CA THR A 60 8.588 -7.475 11.258 1.00 0.00 C ATOM 921 C THR A 60 7.548 -6.382 10.992 1.00 0.00 C ATOM 922 O THR A 60 7.669 -5.271 11.510 1.00 0.00 O ATOM 923 CB THR A 60 9.997 -6.875 11.248 1.00 0.00 C ATOM 924 OG1 THR A 60 10.496 -6.777 9.924 1.00 0.00 O ATOM 925 CG2 THR A 60 10.995 -7.679 12.055 1.00 0.00 C ATOM 0 H THR A 60 9.072 -8.432 9.454 1.00 0.00 H new ATOM 0 HA THR A 60 8.380 -7.895 12.242 1.00 0.00 H new ATOM 0 HB THR A 60 9.892 -5.890 11.703 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.396 -6.390 9.941 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.973 -7.200 12.006 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.667 -7.729 13.093 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.065 -8.687 11.647 1.00 0.00 H new ATOM 933 N GLY A 61 6.529 -6.698 10.188 1.00 0.00 N ATOM 934 CA GLY A 61 5.494 -5.724 9.879 1.00 0.00 C ATOM 935 C GLY A 61 6.051 -4.440 9.283 1.00 0.00 C ATOM 936 O GLY A 61 5.399 -3.395 9.331 1.00 0.00 O ATOM 0 H GLY A 61 6.404 -7.609 9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.784 -6.165 9.180 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.941 -5.487 10.788 1.00 0.00 H new ATOM 940 N GLN A 62 7.256 -4.523 8.720 1.00 0.00 N ATOM 941 CA GLN A 62 7.909 -3.366 8.111 1.00 0.00 C ATOM 942 C GLN A 62 7.872 -3.469 6.588 1.00 0.00 C ATOM 943 O GLN A 62 7.733 -2.463 5.890 1.00 0.00 O ATOM 944 CB GLN A 62 9.359 -3.265 8.600 1.00 0.00 C ATOM 945 CG GLN A 62 10.045 -1.955 8.237 1.00 0.00 C ATOM 946 CD GLN A 62 11.457 -1.863 8.786 1.00 0.00 C ATOM 947 OE1 GLN A 62 11.753 -2.388 9.860 1.00 0.00 O ATOM 948 NE2 GLN A 62 12.340 -1.193 8.052 1.00 0.00 N ATOM 0 H GLN A 62 7.801 -5.384 8.673 1.00 0.00 H new ATOM 0 HA GLN A 62 7.371 -2.466 8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.375 -3.384 9.683 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.932 -4.092 8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.074 -1.853 7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.455 -1.122 8.620 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.054 -0.773 7.168 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.304 -1.099 8.373 1.00 0.00 H new ATOM 957 N THR A 63 7.988 -4.697 6.083 1.00 0.00 N ATOM 958 CA THR A 63 7.960 -4.949 4.647 1.00 0.00 C ATOM 959 C THR A 63 6.931 -6.031 4.327 1.00 0.00 C ATOM 960 O THR A 63 6.237 -6.513 5.225 1.00 0.00 O ATOM 961 CB THR A 63 9.350 -5.365 4.147 1.00 0.00 C ATOM 962 OG1 THR A 63 9.753 -6.592 4.730 1.00 0.00 O ATOM 963 CG2 THR A 63 10.429 -4.342 4.441 1.00 0.00 C ATOM 0 H THR A 63 8.103 -5.535 6.653 1.00 0.00 H new ATOM 0 HA THR A 63 7.674 -4.030 4.135 1.00 0.00 H new ATOM 0 HB THR A 63 9.245 -5.458 3.066 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.641 -6.837 4.395 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.385 -4.702 4.060 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.177 -3.398 3.957 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.502 -4.189 5.518 1.00 0.00 H new ATOM 971 N LEU A 64 6.834 -6.413 3.055 1.00 0.00 N ATOM 972 CA LEU A 64 5.886 -7.445 2.641 1.00 0.00 C ATOM 973 C LEU A 64 6.614 -8.720 2.221 1.00 0.00 C ATOM 974 O LEU A 64 7.773 -8.680 1.807 1.00 0.00 O ATOM 975 CB LEU A 64 5.012 -6.943 1.487 1.00 0.00 C ATOM 976 CG LEU A 64 3.933 -5.914 1.859 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.818 -5.930 0.826 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.370 -6.183 3.250 1.00 0.00 C ATOM 0 H LEU A 64 7.397 -6.026 2.297 1.00 0.00 H new ATOM 0 HA LEU A 64 5.249 -7.673 3.496 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.661 -6.502 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.524 -7.802 1.027 1.00 0.00 H new ATOM 0 HG LEU A 64 4.395 -4.927 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.059 -5.197 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.226 -5.682 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.369 -6.922 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.609 -5.439 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.925 -7.178 3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.173 -6.125 3.985 1.00 0.00 H new ATOM 990 N ARG A 65 5.920 -9.853 2.331 1.00 0.00 N ATOM 991 CA ARG A 65 6.493 -11.145 1.964 1.00 0.00 C ATOM 992 C ARG A 65 6.636 -11.272 0.446 1.00 0.00 C ATOM 993 O ARG A 65 5.886 -10.650 -0.311 1.00 0.00 O ATOM 994 CB ARG A 65 5.624 -12.284 2.504 1.00 0.00 C ATOM 995 CG ARG A 65 4.226 -12.322 1.907 1.00 0.00 C ATOM 996 CD ARG A 65 4.073 -13.458 0.906 1.00 0.00 C ATOM 997 NE ARG A 65 3.859 -14.748 1.563 1.00 0.00 N ATOM 998 CZ ARG A 65 2.670 -15.183 1.993 1.00 0.00 C ATOM 999 NH1 ARG A 65 1.583 -14.431 1.844 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.569 -16.374 2.573 1.00 0.00 N ATOM 0 H ARG A 65 4.960 -9.901 2.672 1.00 0.00 H new ATOM 0 HA ARG A 65 7.486 -11.211 2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.120 -13.234 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.545 -12.187 3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.492 -12.439 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.014 -11.373 1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.234 -13.246 0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.965 -13.513 0.282 1.00 0.00 H new ATOM 0 HE ARG A 65 4.668 -15.354 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.653 -13.516 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.679 -14.770 2.175 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.398 -16.956 2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.662 -16.706 2.901 1.00 0.00 H new ATOM 1014 N PRO A 66 7.607 -12.086 -0.022 1.00 0.00 N ATOM 1015 CA PRO A 66 7.845 -12.297 -1.457 1.00 0.00 C ATOM 1016 C PRO A 66 6.595 -12.781 -2.188 1.00 0.00 C ATOM 1017 O PRO A 66 5.998 -13.791 -1.813 1.00 0.00 O ATOM 1018 CB PRO A 66 8.932 -13.377 -1.489 1.00 0.00 C ATOM 1019 CG PRO A 66 9.606 -13.282 -0.166 1.00 0.00 C ATOM 1020 CD PRO A 66 8.544 -12.863 0.811 1.00 0.00 C ATOM 0 HA PRO A 66 8.131 -11.373 -1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.501 -14.366 -1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.635 -13.205 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.043 -14.239 0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.419 -12.556 -0.194 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.057 -13.723 1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.957 -12.261 1.621 1.00 0.00 H new ATOM 1028 N GLY A 67 6.207 -12.048 -3.229 1.00 0.00 N ATOM 1029 CA GLY A 67 5.028 -12.408 -3.998 1.00 0.00 C ATOM 1030 C GLY A 67 4.308 -11.196 -4.559 1.00 0.00 C ATOM 1031 O GLY A 67 3.919 -11.187 -5.727 1.00 0.00 O ATOM 0 H GLY A 67 6.689 -11.210 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.319 -13.065 -4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.343 -12.972 -3.365 1.00 0.00 H new ATOM 1035 N ILE A 68 4.132 -10.172 -3.723 1.00 0.00 N ATOM 1036 CA ILE A 68 3.456 -8.946 -4.142 1.00 0.00 C ATOM 1037 C ILE A 68 4.455 -7.920 -4.675 1.00 0.00 C ATOM 1038 O ILE A 68 5.360 -7.490 -3.956 1.00 0.00 O ATOM 1039 CB ILE A 68 2.660 -8.309 -2.983 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.765 -9.348 -2.301 1.00 0.00 C ATOM 1041 CG2 ILE A 68 1.826 -7.138 -3.489 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.692 -9.180 -0.800 1.00 0.00 C ATOM 0 H ILE A 68 4.448 -10.168 -2.753 1.00 0.00 H new ATOM 0 HA ILE A 68 2.764 -9.228 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 68 3.372 -7.936 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.760 -9.281 -2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.138 -10.346 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.271 -6.701 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.483 -6.384 -3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.127 -7.490 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.042 -9.947 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.691 -9.277 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.290 -8.195 -0.563 1.00 0.00 H new ATOM 1054 N LEU A 69 4.281 -7.527 -5.936 1.00 0.00 N ATOM 1055 CA LEU A 69 5.159 -6.546 -6.566 1.00 0.00 C ATOM 1056 C LEU A 69 4.631 -5.130 -6.332 1.00 0.00 C ATOM 1057 O LEU A 69 3.706 -4.681 -7.010 1.00 0.00 O ATOM 1058 CB LEU A 69 5.283 -6.823 -8.068 1.00 0.00 C ATOM 1059 CG LEU A 69 6.685 -7.212 -8.542 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.604 -8.274 -9.630 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.439 -5.988 -9.044 1.00 0.00 C ATOM 0 H LEU A 69 3.538 -7.875 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 69 6.148 -6.629 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.592 -7.623 -8.333 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.965 -5.934 -8.613 1.00 0.00 H new ATOM 0 HG LEU A 69 7.232 -7.628 -7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.610 -8.539 -9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.105 -9.160 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.039 -7.885 -10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.434 -6.285 -9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.896 -5.542 -9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.528 -5.260 -8.238 1.00 0.00 H new ATOM 1073 N VAL A 70 5.223 -4.438 -5.358 1.00 0.00 N ATOM 1074 CA VAL A 70 4.811 -3.075 -5.026 1.00 0.00 C ATOM 1075 C VAL A 70 5.366 -2.066 -6.034 1.00 0.00 C ATOM 1076 O VAL A 70 6.573 -2.021 -6.284 1.00 0.00 O ATOM 1077 CB VAL A 70 5.256 -2.672 -3.600 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.553 -3.525 -2.552 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.768 -2.773 -3.451 1.00 0.00 C ATOM 0 H VAL A 70 5.987 -4.798 -4.787 1.00 0.00 H new ATOM 0 HA VAL A 70 3.722 -3.060 -5.068 1.00 0.00 H new ATOM 0 HB VAL A 70 4.970 -1.632 -3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.882 -3.224 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.475 -3.388 -2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.799 -4.575 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.054 -2.484 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.084 -3.799 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.249 -2.108 -4.168 1.00 0.00 H new ATOM 1089 N LEU A 71 4.474 -1.259 -6.607 1.00 0.00 N ATOM 1090 CA LEU A 71 4.868 -0.250 -7.591 1.00 0.00 C ATOM 1091 C LEU A 71 4.377 1.136 -7.176 1.00 0.00 C ATOM 1092 O LEU A 71 3.199 1.317 -6.859 1.00 0.00 O ATOM 1093 CB LEU A 71 4.317 -0.599 -8.980 1.00 0.00 C ATOM 1094 CG LEU A 71 4.238 -2.094 -9.302 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.589 -2.309 -10.661 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.623 -2.728 -9.261 1.00 0.00 C ATOM 0 H LEU A 71 3.474 -1.284 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 71 5.957 -0.239 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.318 -0.172 -9.073 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.942 -0.116 -9.731 1.00 0.00 H new ATOM 0 HG LEU A 71 3.621 -2.578 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.540 -3.376 -10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.581 -1.894 -10.653 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.180 -1.811 -11.429 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.544 -3.790 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.267 -2.243 -9.995 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.050 -2.605 -8.266 1.00 0.00 H new ATOM 1108 N VAL A 72 5.287 2.109 -7.186 1.00 0.00 N ATOM 1109 CA VAL A 72 4.954 3.483 -6.818 1.00 0.00 C ATOM 1110 C VAL A 72 5.057 4.413 -8.024 1.00 0.00 C ATOM 1111 O VAL A 72 6.145 4.619 -8.566 1.00 0.00 O ATOM 1112 CB VAL A 72 5.865 4.016 -5.690 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.442 3.444 -4.344 1.00 0.00 C ATOM 1114 CG2 VAL A 72 7.330 3.703 -5.973 1.00 0.00 C ATOM 0 H VAL A 72 6.263 1.970 -7.446 1.00 0.00 H new ATOM 0 HA VAL A 72 3.926 3.467 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 72 5.756 5.100 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.096 3.831 -3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.413 3.734 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.514 2.357 -4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.948 4.090 -5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.464 2.624 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.627 4.171 -6.911 1.00 0.00 H new ATOM 1124 N ASN A 73 3.918 4.970 -8.439 1.00 0.00 N ATOM 1125 CA ASN A 73 3.871 5.880 -9.587 1.00 0.00 C ATOM 1126 C ASN A 73 4.482 5.221 -10.826 1.00 0.00 C ATOM 1127 O ASN A 73 5.370 5.782 -11.473 1.00 0.00 O ATOM 1128 CB ASN A 73 4.598 7.194 -9.262 1.00 0.00 C ATOM 1129 CG ASN A 73 3.932 7.962 -8.134 1.00 0.00 C ATOM 1130 OD1 ASN A 73 4.106 7.634 -6.960 1.00 0.00 O ATOM 1131 ND2 ASN A 73 3.165 8.989 -8.484 1.00 0.00 N ATOM 0 H ASN A 73 3.013 4.807 -7.997 1.00 0.00 H new ATOM 0 HA ASN A 73 2.827 6.107 -9.801 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.631 6.977 -8.989 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.629 7.819 -10.154 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.693 9.540 -7.767 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.048 9.226 -9.469 1.00 0.00 H new ATOM 1138 N SER A 74 3.996 4.017 -11.142 1.00 0.00 N ATOM 1139 CA SER A 74 4.480 3.257 -12.297 1.00 0.00 C ATOM 1140 C SER A 74 5.984 2.974 -12.196 1.00 0.00 C ATOM 1141 O SER A 74 6.673 2.861 -13.212 1.00 0.00 O ATOM 1142 CB SER A 74 4.166 4.007 -13.595 1.00 0.00 C ATOM 1143 OG SER A 74 2.824 3.793 -13.998 1.00 0.00 O ATOM 0 H SER A 74 3.264 3.546 -10.610 1.00 0.00 H new ATOM 0 HA SER A 74 3.962 2.298 -12.305 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.340 5.074 -13.453 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.842 3.675 -14.383 1.00 0.00 H new ATOM 0 HG SER A 74 2.649 4.284 -14.828 1.00 0.00 H new ATOM 1149 N CYS A 75 6.487 2.853 -10.965 1.00 0.00 N ATOM 1150 CA CYS A 75 7.901 2.577 -10.735 1.00 0.00 C ATOM 1151 C CYS A 75 8.076 1.692 -9.506 1.00 0.00 C ATOM 1152 O CYS A 75 7.590 2.027 -8.427 1.00 0.00 O ATOM 1153 CB CYS A 75 8.683 3.882 -10.558 1.00 0.00 C ATOM 1154 SG CYS A 75 10.471 3.659 -10.413 1.00 0.00 S ATOM 0 H CYS A 75 5.933 2.943 -10.113 1.00 0.00 H new ATOM 0 HA CYS A 75 8.293 2.052 -11.606 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.477 4.534 -11.407 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.318 4.393 -9.667 1.00 0.00 H new ATOM 0 HG CYS A 75 11.043 4.818 -10.269 1.00 0.00 H new ATOM 1160 N ASP A 76 8.765 0.561 -9.675 1.00 0.00 N ATOM 1161 CA ASP A 76 8.997 -0.376 -8.572 1.00 0.00 C ATOM 1162 C ASP A 76 9.403 0.359 -7.298 1.00 0.00 C ATOM 1163 O ASP A 76 10.338 1.161 -7.304 1.00 0.00 O ATOM 1164 CB ASP A 76 10.077 -1.399 -8.938 1.00 0.00 C ATOM 1165 CG ASP A 76 9.752 -2.182 -10.199 1.00 0.00 C ATOM 1166 OD1 ASP A 76 8.596 -2.639 -10.337 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.655 -2.340 -11.045 1.00 0.00 O ATOM 0 H ASP A 76 9.172 0.271 -10.564 1.00 0.00 H new ATOM 0 HA ASP A 76 8.058 -0.899 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.028 -0.883 -9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.207 -2.094 -8.109 1.00 0.00 H new ATOM 1172 N ALA A 77 8.692 0.076 -6.207 1.00 0.00 N ATOM 1173 CA ALA A 77 8.976 0.708 -4.918 1.00 0.00 C ATOM 1174 C ALA A 77 10.370 0.346 -4.400 1.00 0.00 C ATOM 1175 O ALA A 77 10.917 1.046 -3.550 1.00 0.00 O ATOM 1176 CB ALA A 77 7.919 0.326 -3.894 1.00 0.00 C ATOM 0 H ALA A 77 7.916 -0.586 -6.189 1.00 0.00 H new ATOM 0 HA ALA A 77 8.951 1.787 -5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.146 0.805 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.940 0.655 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.913 -0.756 -3.764 1.00 0.00 H new ATOM 1182 N GLU A 78 10.945 -0.742 -4.921 1.00 0.00 N ATOM 1183 CA GLU A 78 12.274 -1.173 -4.510 1.00 0.00 C ATOM 1184 C GLU A 78 13.341 -0.250 -5.086 1.00 0.00 C ATOM 1185 O GLU A 78 14.421 -0.106 -4.512 1.00 0.00 O ATOM 1186 CB GLU A 78 12.534 -2.617 -4.949 1.00 0.00 C ATOM 1187 CG GLU A 78 11.564 -3.623 -4.339 1.00 0.00 C ATOM 1188 CD GLU A 78 11.915 -4.006 -2.909 1.00 0.00 C ATOM 1189 OE1 GLU A 78 12.635 -3.233 -2.238 1.00 0.00 O ATOM 1190 OE2 GLU A 78 11.468 -5.079 -2.458 1.00 0.00 O ATOM 0 H GLU A 78 10.508 -1.336 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 78 12.323 -1.126 -3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.469 -2.675 -6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.552 -2.894 -4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.557 -3.205 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.548 -4.522 -4.955 1.00 0.00 H new ATOM 1197 N VAL A 79 13.031 0.381 -6.220 1.00 0.00 N ATOM 1198 CA VAL A 79 13.969 1.292 -6.859 1.00 0.00 C ATOM 1199 C VAL A 79 14.123 2.579 -6.050 1.00 0.00 C ATOM 1200 O VAL A 79 15.238 3.063 -5.848 1.00 0.00 O ATOM 1201 CB VAL A 79 13.536 1.649 -8.297 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.614 2.477 -8.979 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.229 0.390 -9.101 1.00 0.00 C ATOM 0 H VAL A 79 12.142 0.276 -6.709 1.00 0.00 H new ATOM 0 HA VAL A 79 14.926 0.772 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 79 12.623 2.243 -8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.297 2.723 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.777 3.396 -8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.542 1.906 -9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.926 0.668 -10.111 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.119 -0.237 -9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.422 -0.162 -8.619 1.00 0.00 H new ATOM 1213 N VAL A 80 13.000 3.131 -5.588 1.00 0.00 N ATOM 1214 CA VAL A 80 13.018 4.365 -4.802 1.00 0.00 C ATOM 1215 C VAL A 80 13.611 4.135 -3.410 1.00 0.00 C ATOM 1216 O VAL A 80 14.359 4.972 -2.903 1.00 0.00 O ATOM 1217 CB VAL A 80 11.609 4.980 -4.658 1.00 0.00 C ATOM 1218 CG1 VAL A 80 11.064 5.391 -6.019 1.00 0.00 C ATOM 1219 CG2 VAL A 80 10.658 4.013 -3.964 1.00 0.00 C ATOM 0 H VAL A 80 12.069 2.744 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 80 13.650 5.065 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 80 11.690 5.872 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.070 5.822 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.728 6.129 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.003 4.516 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.673 4.472 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.580 3.096 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.039 3.778 -2.970 1.00 0.00 H new ATOM 1229 N GLY A 81 13.275 2.997 -2.798 1.00 0.00 N ATOM 1230 CA GLY A 81 13.788 2.684 -1.473 1.00 0.00 C ATOM 1231 C GLY A 81 12.970 1.631 -0.741 1.00 0.00 C ATOM 1232 O GLY A 81 12.708 1.772 0.452 1.00 0.00 O ATOM 0 H GLY A 81 12.658 2.289 -3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.817 2.336 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.811 3.596 -0.876 1.00 0.00 H new ATOM 1236 N GLY A 82 12.569 0.577 -1.454 1.00 0.00 N ATOM 1237 CA GLY A 82 11.784 -0.490 -0.847 1.00 0.00 C ATOM 1238 C GLY A 82 10.545 0.018 -0.132 1.00 0.00 C ATOM 1239 O GLY A 82 9.583 0.445 -0.773 1.00 0.00 O ATOM 0 H GLY A 82 12.775 0.443 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.486 -1.199 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.408 -1.035 -0.138 1.00 0.00 H new ATOM 1243 N MET A 83 10.574 -0.021 1.200 1.00 0.00 N ATOM 1244 CA MET A 83 9.452 0.444 2.013 1.00 0.00 C ATOM 1245 C MET A 83 9.793 1.757 2.722 1.00 0.00 C ATOM 1246 O MET A 83 9.258 2.054 3.793 1.00 0.00 O ATOM 1247 CB MET A 83 9.069 -0.627 3.042 1.00 0.00 C ATOM 1248 CG MET A 83 8.963 -2.028 2.458 1.00 0.00 C ATOM 1249 SD MET A 83 7.537 -2.224 1.372 1.00 0.00 S ATOM 1250 CE MET A 83 6.221 -2.412 2.571 1.00 0.00 C ATOM 0 H MET A 83 11.365 -0.371 1.740 1.00 0.00 H new ATOM 0 HA MET A 83 8.605 0.625 1.352 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.810 -0.631 3.841 1.00 0.00 H new ATOM 0 HB3 MET A 83 8.114 -0.358 3.494 1.00 0.00 H new ATOM 0 HG2 MET A 83 9.872 -2.255 1.901 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.898 -2.752 3.270 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.309 -1.958 2.184 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.048 -3.472 2.758 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.504 -1.921 3.502 1.00 0.00 H new ATOM 1260 N ASP A 84 10.692 2.540 2.118 1.00 0.00 N ATOM 1261 CA ASP A 84 11.115 3.816 2.688 1.00 0.00 C ATOM 1262 C ASP A 84 10.815 4.990 1.745 1.00 0.00 C ATOM 1263 O ASP A 84 11.398 6.068 1.885 1.00 0.00 O ATOM 1264 CB ASP A 84 12.616 3.768 3.002 1.00 0.00 C ATOM 1265 CG ASP A 84 12.992 4.594 4.219 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.227 4.588 5.207 1.00 0.00 O ATOM 1267 OD2 ASP A 84 14.056 5.246 4.184 1.00 0.00 O ATOM 0 H ASP A 84 11.140 2.309 1.232 1.00 0.00 H new ATOM 0 HA ASP A 84 10.549 3.977 3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.915 2.733 3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.174 4.128 2.138 1.00 0.00 H new ATOM 1272 N TYR A 85 9.905 4.780 0.790 1.00 0.00 N ATOM 1273 CA TYR A 85 9.539 5.823 -0.167 1.00 0.00 C ATOM 1274 C TYR A 85 8.774 6.960 0.514 1.00 0.00 C ATOM 1275 O TYR A 85 7.687 6.754 1.055 1.00 0.00 O ATOM 1276 CB TYR A 85 8.700 5.229 -1.302 1.00 0.00 C ATOM 1277 CG TYR A 85 8.431 6.196 -2.435 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.439 7.013 -2.936 1.00 0.00 C ATOM 1279 CD2 TYR A 85 7.168 6.288 -3.005 1.00 0.00 C ATOM 1280 CE1 TYR A 85 9.193 7.896 -3.969 1.00 0.00 C ATOM 1281 CE2 TYR A 85 6.915 7.168 -4.039 1.00 0.00 C ATOM 1282 CZ TYR A 85 7.930 7.969 -4.518 1.00 0.00 C ATOM 1283 OH TYR A 85 7.681 8.847 -5.547 1.00 0.00 O ATOM 0 H TYR A 85 9.410 3.898 0.660 1.00 0.00 H new ATOM 0 HA TYR A 85 10.459 6.236 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.212 4.352 -1.699 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.748 4.886 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.430 6.956 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.371 5.661 -2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.986 8.526 -4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.927 7.228 -4.470 1.00 0.00 H new ATOM 0 HH TYR A 85 6.743 8.773 -5.820 1.00 0.00 H new ATOM 1293 N VAL A 86 9.356 8.160 0.480 1.00 0.00 N ATOM 1294 CA VAL A 86 8.741 9.340 1.094 1.00 0.00 C ATOM 1295 C VAL A 86 7.506 9.805 0.316 1.00 0.00 C ATOM 1296 O VAL A 86 7.451 9.685 -0.909 1.00 0.00 O ATOM 1297 CB VAL A 86 9.740 10.513 1.206 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.806 10.214 2.250 1.00 0.00 C ATOM 1299 CG2 VAL A 86 10.380 10.819 -0.143 1.00 0.00 C ATOM 0 H VAL A 86 10.255 8.341 0.033 1.00 0.00 H new ATOM 0 HA VAL A 86 8.436 9.038 2.096 1.00 0.00 H new ATOM 0 HB VAL A 86 9.186 11.396 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.499 11.053 2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.333 10.061 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.351 9.314 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.079 11.649 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.915 9.939 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.605 11.089 -0.861 1.00 0.00 H new ATOM 1309 N LEU A 87 6.520 10.337 1.041 1.00 0.00 N ATOM 1310 CA LEU A 87 5.279 10.824 0.432 1.00 0.00 C ATOM 1311 C LEU A 87 5.351 12.329 0.157 1.00 0.00 C ATOM 1312 O LEU A 87 6.181 13.034 0.735 1.00 0.00 O ATOM 1313 CB LEU A 87 4.088 10.515 1.347 1.00 0.00 C ATOM 1314 CG LEU A 87 3.215 9.333 0.911 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.863 8.011 1.301 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.825 9.447 1.522 1.00 0.00 C ATOM 0 H LEU A 87 6.557 10.442 2.055 1.00 0.00 H new ATOM 0 HA LEU A 87 5.145 10.311 -0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.464 10.317 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.461 11.404 1.412 1.00 0.00 H new ATOM 0 HG LEU A 87 3.120 9.358 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.226 7.186 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.836 7.926 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.991 7.974 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.217 8.600 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.904 9.448 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.357 10.375 1.192 1.00 0.00 H new ATOM 1328 N ASN A 88 4.471 12.817 -0.724 1.00 0.00 N ATOM 1329 CA ASN A 88 4.437 14.242 -1.069 1.00 0.00 C ATOM 1330 C ASN A 88 3.044 14.677 -1.533 1.00 0.00 C ATOM 1331 O ASN A 88 2.917 15.529 -2.415 1.00 0.00 O ATOM 1332 CB ASN A 88 5.466 14.543 -2.163 1.00 0.00 C ATOM 1333 CG ASN A 88 6.848 14.808 -1.600 1.00 0.00 C ATOM 1334 OD1 ASN A 88 7.021 15.652 -0.719 1.00 0.00 O ATOM 1335 ND2 ASN A 88 7.843 14.087 -2.105 1.00 0.00 N ATOM 0 H ASN A 88 3.776 12.249 -1.209 1.00 0.00 H new ATOM 0 HA ASN A 88 4.684 14.807 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.514 13.702 -2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.138 15.410 -2.737 1.00 0.00 H new ATOM 0 HD21 ASN A 88 8.795 14.222 -1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 88 7.655 13.399 -2.834 1.00 0.00 H new ATOM 1342 N ASP A 89 2.003 14.097 -0.925 1.00 0.00 N ATOM 1343 CA ASP A 89 0.616 14.428 -1.264 1.00 0.00 C ATOM 1344 C ASP A 89 0.320 14.131 -2.734 1.00 0.00 C ATOM 1345 O ASP A 89 0.606 14.943 -3.617 1.00 0.00 O ATOM 1346 CB ASP A 89 0.322 15.899 -0.955 1.00 0.00 C ATOM 1347 CG ASP A 89 0.643 16.269 0.481 1.00 0.00 C ATOM 1348 OD1 ASP A 89 1.832 16.505 0.785 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -0.295 16.319 1.301 1.00 0.00 O ATOM 0 H ASP A 89 2.097 13.393 -0.193 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.033 13.802 -0.652 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.902 16.531 -1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.730 16.105 -1.153 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.252 12.957 -2.987 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.575 12.556 -4.346 1.00 0.00 C ATOM 1356 C GLY A 90 0.277 11.394 -4.823 1.00 0.00 C ATOM 1357 O GLY A 90 0.655 11.330 -5.995 1.00 0.00 O ATOM 0 H GLY A 90 -0.499 12.273 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.627 12.278 -4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.435 13.405 -5.016 1.00 0.00 H new ATOM 1361 N ASP A 91 0.582 10.473 -3.907 1.00 0.00 N ATOM 1362 CA ASP A 91 1.398 9.304 -4.221 1.00 0.00 C ATOM 1363 C ASP A 91 0.531 8.158 -4.744 1.00 0.00 C ATOM 1364 O ASP A 91 -0.700 8.222 -4.690 1.00 0.00 O ATOM 1365 CB ASP A 91 2.173 8.859 -2.975 1.00 0.00 C ATOM 1366 CG ASP A 91 3.600 8.439 -3.283 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.261 9.117 -4.100 1.00 0.00 O ATOM 1368 OD2 ASP A 91 4.059 7.434 -2.701 1.00 0.00 O ATOM 0 H ASP A 91 0.273 10.517 -2.936 1.00 0.00 H new ATOM 0 HA ASP A 91 2.106 9.577 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.188 9.675 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.648 8.027 -2.505 1.00 0.00 H new ATOM 1373 N THR A 92 1.182 7.112 -5.250 1.00 0.00 N ATOM 1374 CA THR A 92 0.475 5.950 -5.783 1.00 0.00 C ATOM 1375 C THR A 92 1.156 4.653 -5.350 1.00 0.00 C ATOM 1376 O THR A 92 2.380 4.535 -5.415 1.00 0.00 O ATOM 1377 CB THR A 92 0.407 6.025 -7.312 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.271 7.201 -7.727 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.295 4.841 -7.943 1.00 0.00 C ATOM 0 H THR A 92 2.199 7.046 -5.302 1.00 0.00 H new ATOM 0 HA THR A 92 -0.539 5.955 -5.383 1.00 0.00 H new ATOM 0 HB THR A 92 1.445 6.028 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.303 7.232 -8.706 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.307 4.960 -9.026 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.234 3.924 -7.684 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.319 4.786 -7.573 1.00 0.00 H new ATOM 1387 N VAL A 93 0.352 3.683 -4.911 1.00 0.00 N ATOM 1388 CA VAL A 93 0.871 2.392 -4.469 1.00 0.00 C ATOM 1389 C VAL A 93 -0.048 1.250 -4.911 1.00 0.00 C ATOM 1390 O VAL A 93 -1.271 1.337 -4.776 1.00 0.00 O ATOM 1391 CB VAL A 93 1.051 2.350 -2.933 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.253 2.685 -2.221 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.580 0.989 -2.488 1.00 0.00 C ATOM 0 H VAL A 93 -0.663 3.769 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 93 1.847 2.263 -4.936 1.00 0.00 H new ATOM 0 HB VAL A 93 1.786 3.107 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.099 2.648 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.577 3.685 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.018 1.961 -2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.699 0.981 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.875 0.211 -2.781 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.544 0.801 -2.960 1.00 0.00 H new ATOM 1403 N GLU A 94 0.551 0.186 -5.448 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.210 -0.970 -5.917 1.00 0.00 C ATOM 1405 C GLU A 94 0.378 -2.276 -5.387 1.00 0.00 C ATOM 1406 O GLU A 94 1.587 -2.383 -5.175 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.236 -1.003 -7.446 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.628 0.322 -8.080 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.070 0.486 -9.480 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -0.751 0.074 -10.442 1.00 0.00 O ATOM 1411 OE2 GLU A 94 1.051 1.023 -9.614 1.00 0.00 O ATOM 0 H GLU A 94 1.560 0.102 -5.568 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.227 -0.872 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.749 -1.293 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.936 -1.773 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.715 0.396 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.273 1.140 -7.453 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.488 -3.268 -5.183 1.00 0.00 N ATOM 1419 CA PHE A 95 -0.065 -4.574 -4.686 1.00 0.00 C ATOM 1420 C PHE A 95 -0.459 -5.674 -5.672 1.00 0.00 C ATOM 1421 O PHE A 95 -1.631 -6.042 -5.769 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.689 -4.848 -3.313 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.597 -3.685 -2.362 1.00 0.00 C ATOM 1424 CD1 PHE A 95 0.565 -3.450 -1.644 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -1.673 -2.829 -2.187 1.00 0.00 C ATOM 1426 CE1 PHE A 95 0.650 -2.382 -0.770 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -1.592 -1.761 -1.316 1.00 0.00 C ATOM 1428 CZ PHE A 95 -0.429 -1.536 -0.606 1.00 0.00 C ATOM 0 H PHE A 95 -1.490 -3.190 -5.355 1.00 0.00 H new ATOM 0 HA PHE A 95 1.020 -4.570 -4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.738 -5.114 -3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.196 -5.711 -2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.413 -4.108 -1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.586 -3.000 -2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.561 -2.209 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.438 -1.102 -1.190 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.364 -0.701 0.076 1.00 0.00 H new ATOM 1438 N ILE A 96 0.528 -6.184 -6.411 1.00 0.00 N ATOM 1439 CA ILE A 96 0.289 -7.233 -7.401 1.00 0.00 C ATOM 1440 C ILE A 96 0.931 -8.553 -6.975 1.00 0.00 C ATOM 1441 O ILE A 96 2.147 -8.722 -7.081 1.00 0.00 O ATOM 1442 CB ILE A 96 0.837 -6.831 -8.790 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.381 -5.419 -9.169 1.00 0.00 C ATOM 1444 CG2 ILE A 96 0.398 -7.836 -9.849 1.00 0.00 C ATOM 1445 CD1 ILE A 96 1.218 -4.787 -10.261 1.00 0.00 C ATOM 0 H ILE A 96 1.501 -5.886 -6.342 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.791 -7.364 -7.467 1.00 0.00 H new ATOM 0 HB ILE A 96 1.926 -6.834 -8.739 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.659 -5.457 -9.495 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.415 -4.785 -8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.793 -7.537 -10.820 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.778 -8.825 -9.592 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.691 -7.866 -9.893 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.839 -3.789 -10.478 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.254 -4.717 -9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.164 -5.400 -11.161 1.00 0.00 H new ATOM 1457 N SER A 97 0.108 -9.488 -6.497 1.00 0.00 N ATOM 1458 CA SER A 97 0.599 -10.793 -6.060 1.00 0.00 C ATOM 1459 C SER A 97 0.771 -11.738 -7.251 1.00 0.00 C ATOM 1460 O SER A 97 -0.122 -11.860 -8.093 1.00 0.00 O ATOM 1461 CB SER A 97 -0.356 -11.409 -5.032 1.00 0.00 C ATOM 1462 OG SER A 97 -1.647 -11.609 -5.581 1.00 0.00 O ATOM 0 H SER A 97 -0.900 -9.365 -6.403 1.00 0.00 H new ATOM 0 HA SER A 97 1.573 -10.648 -5.592 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.045 -12.361 -4.685 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.426 -10.757 -4.162 1.00 0.00 H new ATOM 0 HG SER A 97 -2.233 -12.005 -4.903 1.00 0.00 H new ATOM 1468 N THR A 98 1.926 -12.399 -7.319 1.00 0.00 N ATOM 1469 CA THR A 98 2.218 -13.328 -8.411 1.00 0.00 C ATOM 1470 C THR A 98 2.994 -14.549 -7.912 1.00 0.00 C ATOM 1471 O THR A 98 2.567 -15.686 -8.113 1.00 0.00 O ATOM 1472 CB THR A 98 3.001 -12.618 -9.524 1.00 0.00 C ATOM 1473 OG1 THR A 98 3.612 -11.429 -9.045 1.00 0.00 O ATOM 1474 CG2 THR A 98 2.135 -12.245 -10.712 1.00 0.00 C ATOM 0 H THR A 98 2.674 -12.309 -6.632 1.00 0.00 H new ATOM 0 HA THR A 98 1.267 -13.676 -8.815 1.00 0.00 H new ATOM 0 HB THR A 98 3.754 -13.336 -9.847 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.105 -10.998 -9.774 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.745 -11.746 -11.465 1.00 0.00 H new ATOM 0 HG22 THR A 98 1.696 -13.146 -11.140 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.340 -11.574 -10.386 1.00 0.00 H new