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 Set 1.1: A 42 GLN : amide:sc= -0.297 X(o=-1.2,f=-1) USER MOD Set 1.2: A 46 THR OG1 : rot -90:sc= -0.95 USER MOD Set 2.1: A 36 ASN : amide:sc= -0.49 K(o=-1.1,f=-6.3!) USER MOD Set 2.2: A 38 ASN : amide:sc= -0.653 K(o=-1.1,f=-6.3!) USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 92 THR OG1 : rot 180:sc= -0.002 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 10 GLN : amide:sc= -6.22! C(o=-6.2!,f=-7.2!) USER MOD Single : A 15 CYS SG : rot 180:sc= -1.19 USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.0793 (180deg=-0.415) USER MOD Single : A 22 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0356 K(o=-0.036,f=-1.1!) USER MOD Single : A 35 THR OG1 : rot 32:sc= 0.23 USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= -0.525 (180deg=-0.559) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -170:sc= -0.0696 (180deg=-0.151) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc=-0.00284 X(o=-0.0028,f=-0.23) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0998 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -32:sc= 0.772 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.349 13.758 -3.998 1.00 0.00 N ATOM 78 CA HIS A 6 -5.033 12.463 -3.955 1.00 0.00 C ATOM 79 C HIS A 6 -4.040 11.303 -3.999 1.00 0.00 C ATOM 80 O HIS A 6 -3.045 11.349 -4.724 1.00 0.00 O ATOM 81 CB HIS A 6 -6.031 12.342 -5.115 1.00 0.00 C ATOM 82 CG HIS A 6 -7.374 12.926 -4.815 1.00 0.00 C ATOM 83 ND1 HIS A 6 -8.332 12.274 -4.072 1.00 0.00 N ATOM 84 CD2 HIS A 6 -7.918 14.116 -5.168 1.00 0.00 C ATOM 85 CE1 HIS A 6 -9.410 13.034 -3.982 1.00 0.00 C ATOM 86 NE2 HIS A 6 -9.183 14.156 -4.639 1.00 0.00 N ATOM 0 HA HIS A 6 -5.575 12.410 -3.011 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.617 12.838 -5.993 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.151 11.289 -5.371 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.444 14.888 -5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.321 12.780 -3.460 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.842 14.928 -4.737 1.00 0.00 H new ATOM 95 N ILE A 7 -4.321 10.260 -3.222 1.00 0.00 N ATOM 96 CA ILE A 7 -3.455 9.085 -3.176 1.00 0.00 C ATOM 97 C ILE A 7 -4.072 7.931 -3.960 1.00 0.00 C ATOM 98 O ILE A 7 -5.289 7.754 -3.957 1.00 0.00 O ATOM 99 CB ILE A 7 -3.180 8.637 -1.723 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.841 9.853 -0.848 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.055 7.607 -1.684 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.468 10.436 -1.112 1.00 0.00 C ATOM 0 H ILE A 7 -5.140 10.204 -2.617 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.506 9.365 -3.633 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.080 8.168 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.591 10.627 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.906 9.563 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.875 7.303 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.339 6.736 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.146 8.045 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.303 11.291 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.708 9.679 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.403 10.759 -2.151 1.00 0.00 H new ATOM 114 N THR A 8 -3.231 7.156 -4.639 1.00 0.00 N ATOM 115 CA THR A 8 -3.708 6.027 -5.432 1.00 0.00 C ATOM 116 C THR A 8 -3.289 4.693 -4.818 1.00 0.00 C ATOM 117 O THR A 8 -2.199 4.188 -5.095 1.00 0.00 O ATOM 118 CB THR A 8 -3.186 6.126 -6.871 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.498 7.389 -7.436 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.748 5.058 -7.786 1.00 0.00 C ATOM 0 H THR A 8 -2.220 7.288 -4.656 1.00 0.00 H new ATOM 0 HA THR A 8 -4.797 6.068 -5.440 1.00 0.00 H new ATOM 0 HB THR A 8 -2.108 5.986 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.155 7.431 -8.353 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.339 5.185 -8.788 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.477 4.073 -7.405 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.834 5.146 -7.824 1.00 0.00 H new ATOM 128 N VAL A 9 -4.168 4.121 -3.997 1.00 0.00 N ATOM 129 CA VAL A 9 -3.898 2.833 -3.362 1.00 0.00 C ATOM 130 C VAL A 9 -4.876 1.778 -3.872 1.00 0.00 C ATOM 131 O VAL A 9 -6.044 1.749 -3.480 1.00 0.00 O ATOM 132 CB VAL A 9 -3.968 2.922 -1.821 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.340 3.390 -1.354 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.602 1.585 -1.190 1.00 0.00 C ATOM 0 H VAL A 9 -5.072 4.528 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.882 2.544 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.240 3.665 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.356 3.442 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.548 4.377 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.100 2.687 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.657 1.668 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.298 0.819 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.588 1.310 -1.482 1.00 0.00 H new ATOM 144 N GLN A 10 -4.398 0.926 -4.774 1.00 0.00 N ATOM 145 CA GLN A 10 -5.235 -0.111 -5.366 1.00 0.00 C ATOM 146 C GLN A 10 -4.589 -1.495 -5.265 1.00 0.00 C ATOM 147 O GLN A 10 -3.451 -1.632 -4.811 1.00 0.00 O ATOM 148 CB GLN A 10 -5.517 0.239 -6.827 1.00 0.00 C ATOM 149 CG GLN A 10 -4.268 0.317 -7.692 1.00 0.00 C ATOM 150 CD GLN A 10 -3.813 1.737 -7.956 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.416 2.457 -8.752 1.00 0.00 O ATOM 152 NE2 GLN A 10 -2.735 2.144 -7.293 1.00 0.00 N ATOM 0 H GLN A 10 -3.435 0.934 -5.111 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.171 -0.152 -4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.192 -0.508 -7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.036 1.197 -6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.462 -0.231 -7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.461 -0.179 -8.643 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.267 1.512 -6.643 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.375 3.088 -7.434 1.00 0.00 H new ATOM 161 N PHE A 11 -5.333 -2.519 -5.694 1.00 0.00 N ATOM 162 CA PHE A 11 -4.849 -3.899 -5.657 1.00 0.00 C ATOM 163 C PHE A 11 -5.007 -4.575 -7.020 1.00 0.00 C ATOM 164 O PHE A 11 -5.677 -4.049 -7.911 1.00 0.00 O ATOM 165 CB PHE A 11 -5.611 -4.698 -4.597 1.00 0.00 C ATOM 166 CG PHE A 11 -5.199 -4.385 -3.184 1.00 0.00 C ATOM 167 CD1 PHE A 11 -3.937 -4.724 -2.723 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.079 -3.757 -2.318 1.00 0.00 C ATOM 169 CE1 PHE A 11 -3.559 -4.440 -1.426 1.00 0.00 C ATOM 170 CE2 PHE A 11 -5.705 -3.471 -1.019 1.00 0.00 C ATOM 171 CZ PHE A 11 -4.445 -3.812 -0.571 1.00 0.00 C ATOM 0 H PHE A 11 -6.275 -2.416 -6.072 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.789 -3.876 -5.403 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.678 -4.502 -4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.462 -5.762 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.241 -5.216 -3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.067 -3.488 -2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.572 -4.708 -1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.400 -2.980 -0.353 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.152 -3.589 0.444 1.00 0.00 H new ATOM 181 N ALA A 12 -4.389 -5.750 -7.172 1.00 0.00 N ATOM 182 CA ALA A 12 -4.464 -6.504 -8.421 1.00 0.00 C ATOM 183 C ALA A 12 -4.233 -7.995 -8.184 1.00 0.00 C ATOM 184 O ALA A 12 -3.335 -8.381 -7.430 1.00 0.00 O ATOM 185 CB ALA A 12 -3.460 -5.968 -9.432 1.00 0.00 C ATOM 0 H ALA A 12 -3.832 -6.197 -6.444 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.469 -6.378 -8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.531 -6.543 -10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.676 -4.920 -9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.452 -6.057 -9.026 1.00 0.00 H new ATOM 191 N GLY A 13 -5.050 -8.826 -8.830 1.00 0.00 N ATOM 192 CA GLY A 13 -4.926 -10.266 -8.681 1.00 0.00 C ATOM 193 C GLY A 13 -5.714 -10.790 -7.495 1.00 0.00 C ATOM 194 O GLY A 13 -6.942 -10.855 -7.544 1.00 0.00 O ATOM 0 H GLY A 13 -5.797 -8.525 -9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.274 -10.755 -9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.875 -10.528 -8.561 1.00 0.00 H new ATOM 198 N GLY A 14 -5.006 -11.158 -6.427 1.00 0.00 N ATOM 199 CA GLY A 14 -5.664 -11.668 -5.234 1.00 0.00 C ATOM 200 C GLY A 14 -5.325 -10.865 -3.987 1.00 0.00 C ATOM 201 O GLY A 14 -5.272 -11.419 -2.888 1.00 0.00 O ATOM 0 H GLY A 14 -3.989 -11.112 -6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.743 -11.656 -5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.375 -12.708 -5.081 1.00 0.00 H new ATOM 205 N CYS A 15 -5.088 -9.562 -4.157 1.00 0.00 N ATOM 206 CA CYS A 15 -4.744 -8.687 -3.034 1.00 0.00 C ATOM 207 C CYS A 15 -5.901 -7.757 -2.650 1.00 0.00 C ATOM 208 O CYS A 15 -5.902 -7.186 -1.560 1.00 0.00 O ATOM 209 CB CYS A 15 -3.502 -7.858 -3.367 1.00 0.00 C ATOM 210 SG CYS A 15 -1.964 -8.811 -3.396 1.00 0.00 S ATOM 0 H CYS A 15 -5.128 -9.090 -5.060 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.537 -9.329 -2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.643 -7.386 -4.340 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.406 -7.056 -2.635 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.971 -8.024 -3.689 1.00 0.00 H new ATOM 216 N GLU A 16 -6.883 -7.608 -3.543 1.00 0.00 N ATOM 217 CA GLU A 16 -8.038 -6.747 -3.276 1.00 0.00 C ATOM 218 C GLU A 16 -8.780 -7.198 -2.017 1.00 0.00 C ATOM 219 O GLU A 16 -9.363 -6.377 -1.306 1.00 0.00 O ATOM 220 CB GLU A 16 -8.995 -6.746 -4.469 1.00 0.00 C ATOM 221 CG GLU A 16 -8.483 -5.947 -5.657 1.00 0.00 C ATOM 222 CD GLU A 16 -9.397 -6.028 -6.869 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.612 -6.273 -6.691 1.00 0.00 O ATOM 224 OE2 GLU A 16 -8.897 -5.842 -7.997 1.00 0.00 O ATOM 0 H GLU A 16 -6.902 -8.070 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.668 -5.734 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.173 -7.775 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.955 -6.338 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.370 -4.903 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.493 -6.310 -5.932 1.00 0.00 H new ATOM 231 N LEU A 17 -8.749 -8.502 -1.744 1.00 0.00 N ATOM 232 CA LEU A 17 -9.413 -9.060 -0.567 1.00 0.00 C ATOM 233 C LEU A 17 -8.700 -8.670 0.734 1.00 0.00 C ATOM 234 O LEU A 17 -9.212 -8.934 1.824 1.00 0.00 O ATOM 235 CB LEU A 17 -9.495 -10.588 -0.672 1.00 0.00 C ATOM 236 CG LEU A 17 -10.071 -11.124 -1.987 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.951 -11.554 -2.928 1.00 0.00 C ATOM 238 CD2 LEU A 17 -11.023 -12.281 -1.714 1.00 0.00 C ATOM 0 H LEU A 17 -8.271 -9.192 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.419 -8.641 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.494 -10.999 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.105 -10.960 0.151 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.631 -10.325 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.380 -11.932 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.311 -10.699 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.360 -12.339 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.425 -12.652 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.485 -13.083 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.841 -11.937 -1.081 1.00 0.00 H new ATOM 250 N LEU A 18 -7.524 -8.040 0.627 1.00 0.00 N ATOM 251 CA LEU A 18 -6.765 -7.626 1.809 1.00 0.00 C ATOM 252 C LEU A 18 -7.249 -6.276 2.361 1.00 0.00 C ATOM 253 O LEU A 18 -6.586 -5.678 3.213 1.00 0.00 O ATOM 254 CB LEU A 18 -5.269 -7.543 1.482 1.00 0.00 C ATOM 255 CG LEU A 18 -4.663 -8.798 0.848 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.378 -8.453 0.110 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.404 -9.861 1.906 1.00 0.00 C ATOM 0 H LEU A 18 -7.081 -7.808 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.930 -8.381 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.108 -6.702 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.726 -7.323 2.401 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.377 -9.199 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.960 -9.356 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.593 -7.728 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.659 -8.027 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.973 -10.745 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.710 -9.472 2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.343 -10.129 2.390 1.00 0.00 H new ATOM 269 N PHE A 19 -8.402 -5.797 1.885 1.00 0.00 N ATOM 270 CA PHE A 19 -8.955 -4.523 2.346 1.00 0.00 C ATOM 271 C PHE A 19 -10.474 -4.575 2.332 1.00 0.00 C ATOM 272 O PHE A 19 -11.116 -4.461 3.377 1.00 0.00 O ATOM 273 CB PHE A 19 -8.452 -3.372 1.465 1.00 0.00 C ATOM 274 CG PHE A 19 -8.681 -2.007 2.061 1.00 0.00 C ATOM 275 CD1 PHE A 19 -7.843 -1.520 3.052 1.00 0.00 C ATOM 276 CD2 PHE A 19 -9.732 -1.214 1.627 1.00 0.00 C ATOM 277 CE1 PHE A 19 -8.048 -0.268 3.598 1.00 0.00 C ATOM 278 CE2 PHE A 19 -9.941 0.042 2.170 1.00 0.00 C ATOM 279 CZ PHE A 19 -9.098 0.515 3.156 1.00 0.00 C ATOM 0 H PHE A 19 -8.969 -6.272 1.182 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.621 -4.347 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.386 -3.505 1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.949 -3.424 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.020 -2.126 3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.395 -1.580 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.388 0.099 4.370 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.762 0.651 1.823 1.00 0.00 H new ATOM 0 HZ PHE A 19 -9.259 1.495 3.581 1.00 0.00 H new ATOM 289 N ALA A 20 -11.041 -4.757 1.142 1.00 0.00 N ATOM 290 CA ALA A 20 -12.488 -4.840 0.982 1.00 0.00 C ATOM 291 C ALA A 20 -12.865 -5.132 -0.473 1.00 0.00 C ATOM 292 O ALA A 20 -13.867 -4.620 -0.977 1.00 0.00 O ATOM 293 CB ALA A 20 -13.145 -3.549 1.458 1.00 0.00 C ATOM 0 H ALA A 20 -10.517 -4.850 0.272 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.853 -5.665 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.225 -3.623 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.911 -3.388 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.769 -2.711 0.871 1.00 0.00 H new ATOM 299 N LYS A 21 -12.050 -5.954 -1.145 1.00 0.00 N ATOM 300 CA LYS A 21 -12.286 -6.310 -2.546 1.00 0.00 C ATOM 301 C LYS A 21 -12.514 -5.052 -3.393 1.00 0.00 C ATOM 302 O LYS A 21 -13.316 -5.056 -4.329 1.00 0.00 O ATOM 303 CB LYS A 21 -13.484 -7.259 -2.656 1.00 0.00 C ATOM 304 CG LYS A 21 -13.320 -8.536 -1.846 1.00 0.00 C ATOM 305 CD LYS A 21 -14.103 -8.478 -0.544 1.00 0.00 C ATOM 306 CE LYS A 21 -14.395 -9.870 0.001 1.00 0.00 C ATOM 307 NZ LYS A 21 -15.324 -10.634 -0.879 1.00 0.00 N ATOM 0 H LYS A 21 -11.220 -6.385 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.402 -6.820 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.382 -6.739 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.637 -7.519 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.658 -9.388 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.264 -8.697 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.539 -7.909 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.041 -7.947 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.460 -10.421 0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.828 -9.785 0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.785 -11.386 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.047 -9.992 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.789 -11.058 -1.663 1.00 0.00 H new ATOM 321 N GLN A 22 -11.797 -3.979 -3.050 1.00 0.00 N ATOM 322 CA GLN A 22 -11.914 -2.711 -3.761 1.00 0.00 C ATOM 323 C GLN A 22 -10.921 -2.641 -4.916 1.00 0.00 C ATOM 324 O GLN A 22 -9.811 -3.171 -4.826 1.00 0.00 O ATOM 325 CB GLN A 22 -11.678 -1.536 -2.804 1.00 0.00 C ATOM 326 CG GLN A 22 -12.955 -0.976 -2.195 1.00 0.00 C ATOM 327 CD GLN A 22 -13.407 0.316 -2.853 1.00 0.00 C ATOM 328 OE1 GLN A 22 -12.874 0.724 -3.886 1.00 0.00 O ATOM 329 NE2 GLN A 22 -14.397 0.971 -2.253 1.00 0.00 N ATOM 0 H GLN A 22 -11.128 -3.967 -2.280 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.924 -2.646 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.015 -1.860 -2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.163 -0.740 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.748 -1.718 -2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.797 -0.800 -1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.811 0.598 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.742 1.846 -2.647 1.00 0.00 H new ATOM 338 N THR A 23 -11.323 -1.980 -5.997 1.00 0.00 N ATOM 339 CA THR A 23 -10.466 -1.836 -7.168 1.00 0.00 C ATOM 340 C THR A 23 -9.375 -0.790 -6.927 1.00 0.00 C ATOM 341 O THR A 23 -8.266 -0.917 -7.446 1.00 0.00 O ATOM 342 CB THR A 23 -11.300 -1.463 -8.401 1.00 0.00 C ATOM 343 OG1 THR A 23 -12.268 -0.478 -8.081 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.028 -2.647 -9.007 1.00 0.00 C ATOM 0 H THR A 23 -12.237 -1.536 -6.086 1.00 0.00 H new ATOM 0 HA THR A 23 -9.981 -2.795 -7.350 1.00 0.00 H new ATOM 0 HB THR A 23 -10.584 -1.082 -9.129 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.786 -0.255 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.599 -2.317 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.303 -3.401 -9.315 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.705 -3.075 -8.268 1.00 0.00 H new ATOM 352 N SER A 24 -9.691 0.239 -6.135 1.00 0.00 N ATOM 353 CA SER A 24 -8.729 1.297 -5.823 1.00 0.00 C ATOM 354 C SER A 24 -9.263 2.223 -4.732 1.00 0.00 C ATOM 355 O SER A 24 -10.473 2.300 -4.510 1.00 0.00 O ATOM 356 CB SER A 24 -8.400 2.109 -7.080 1.00 0.00 C ATOM 357 OG SER A 24 -9.579 2.576 -7.714 1.00 0.00 O ATOM 0 H SER A 24 -10.605 0.361 -5.699 1.00 0.00 H new ATOM 0 HA SER A 24 -7.819 0.822 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.768 2.956 -6.813 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.830 1.492 -7.775 1.00 0.00 H new ATOM 0 HG SER A 24 -9.339 3.092 -8.512 1.00 0.00 H new ATOM 363 N LEU A 25 -8.356 2.922 -4.046 1.00 0.00 N ATOM 364 CA LEU A 25 -8.748 3.840 -2.976 1.00 0.00 C ATOM 365 C LEU A 25 -7.987 5.162 -3.064 1.00 0.00 C ATOM 366 O LEU A 25 -6.877 5.218 -3.600 1.00 0.00 O ATOM 367 CB LEU A 25 -8.512 3.192 -1.608 1.00 0.00 C ATOM 368 CG LEU A 25 -9.760 2.609 -0.941 1.00 0.00 C ATOM 369 CD1 LEU A 25 -9.854 1.112 -1.202 1.00 0.00 C ATOM 370 CD2 LEU A 25 -9.746 2.893 0.554 1.00 0.00 C ATOM 0 H LEU A 25 -7.351 2.870 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.810 4.054 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.775 2.397 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.077 3.936 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.639 3.088 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.747 0.714 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.910 0.933 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.972 0.616 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.640 2.472 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.861 2.441 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.726 3.970 0.720 1.00 0.00 H new ATOM 382 N GLN A 26 -8.591 6.226 -2.527 1.00 0.00 N ATOM 383 CA GLN A 26 -7.977 7.549 -2.536 1.00 0.00 C ATOM 384 C GLN A 26 -8.060 8.199 -1.159 1.00 0.00 C ATOM 385 O GLN A 26 -9.137 8.279 -0.563 1.00 0.00 O ATOM 386 CB GLN A 26 -8.652 8.444 -3.579 1.00 0.00 C ATOM 387 CG GLN A 26 -7.911 8.501 -4.908 1.00 0.00 C ATOM 388 CD GLN A 26 -8.777 9.020 -6.041 1.00 0.00 C ATOM 389 OE1 GLN A 26 -9.986 8.789 -6.072 1.00 0.00 O ATOM 390 NE2 GLN A 26 -8.162 9.724 -6.986 1.00 0.00 N ATOM 0 H GLN A 26 -9.507 6.192 -2.080 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.926 7.430 -2.798 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.666 8.083 -3.753 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.738 9.454 -3.177 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.035 9.141 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.549 7.504 -5.160 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.158 9.894 -6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.694 10.095 -7.773 1.00 0.00 H new ATOM 399 N LEU A 27 -6.917 8.663 -0.660 1.00 0.00 N ATOM 400 CA LEU A 27 -6.850 9.311 0.645 1.00 0.00 C ATOM 401 C LEU A 27 -6.590 10.806 0.494 1.00 0.00 C ATOM 402 O LEU A 27 -5.758 11.222 -0.318 1.00 0.00 O ATOM 403 CB LEU A 27 -5.748 8.673 1.499 1.00 0.00 C ATOM 404 CG LEU A 27 -5.849 7.156 1.671 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.503 6.575 2.079 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.917 6.803 2.700 1.00 0.00 C ATOM 0 H LEU A 27 -6.021 8.601 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.810 9.174 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.782 8.908 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.762 9.136 2.486 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.137 6.720 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.593 5.495 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.763 6.795 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.187 7.018 3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.974 5.720 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.660 7.251 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.882 7.186 2.368 1.00 0.00 H new ATOM 504 N THR A 35 5.453 11.656 6.557 1.00 0.00 N ATOM 505 CA THR A 35 4.973 10.280 6.446 1.00 0.00 C ATOM 506 C THR A 35 5.779 9.510 5.400 1.00 0.00 C ATOM 507 O THR A 35 6.246 10.087 4.415 1.00 0.00 O ATOM 508 CB THR A 35 3.483 10.261 6.082 1.00 0.00 C ATOM 509 OG1 THR A 35 2.754 11.165 6.898 1.00 0.00 O ATOM 510 CG2 THR A 35 2.847 8.896 6.230 1.00 0.00 C ATOM 0 HA THR A 35 5.105 9.794 7.413 1.00 0.00 H new ATOM 0 HB THR A 35 3.440 10.553 5.033 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.323 11.929 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.793 8.954 5.957 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.353 8.186 5.576 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.936 8.563 7.264 1.00 0.00 H new ATOM 518 N ASN A 36 5.939 8.206 5.626 1.00 0.00 N ATOM 519 CA ASN A 36 6.693 7.348 4.713 1.00 0.00 C ATOM 520 C ASN A 36 5.887 6.106 4.330 1.00 0.00 C ATOM 521 O ASN A 36 4.737 5.947 4.748 1.00 0.00 O ATOM 522 CB ASN A 36 8.034 6.940 5.344 1.00 0.00 C ATOM 523 CG ASN A 36 7.937 6.659 6.837 1.00 0.00 C ATOM 524 OD1 ASN A 36 6.858 6.391 7.366 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.074 6.712 7.523 1.00 0.00 N ATOM 0 H ASN A 36 5.555 7.720 6.436 1.00 0.00 H new ATOM 0 HA ASN A 36 6.890 7.917 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.410 6.051 4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.762 7.734 5.177 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.074 6.527 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.947 6.938 7.046 1.00 0.00 H new ATOM 532 N LEU A 37 6.490 5.233 3.520 1.00 0.00 N ATOM 533 CA LEU A 37 5.826 4.011 3.065 1.00 0.00 C ATOM 534 C LEU A 37 5.379 3.135 4.232 1.00 0.00 C ATOM 535 O LEU A 37 4.242 2.662 4.245 1.00 0.00 O ATOM 536 CB LEU A 37 6.747 3.211 2.135 1.00 0.00 C ATOM 537 CG LEU A 37 6.054 2.114 1.325 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.626 2.053 -0.085 1.00 0.00 C ATOM 539 CD2 LEU A 37 6.189 0.763 2.021 1.00 0.00 C ATOM 0 H LEU A 37 7.439 5.351 3.165 1.00 0.00 H new ATOM 0 HA LEU A 37 4.935 4.316 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.229 3.902 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.536 2.756 2.734 1.00 0.00 H new ATOM 0 HG LEU A 37 4.993 2.355 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.122 1.267 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.473 3.011 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.693 1.837 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.689 -0.003 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.244 0.511 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.730 0.815 3.008 1.00 0.00 H new ATOM 551 N ASN A 38 6.264 2.922 5.209 1.00 0.00 N ATOM 552 CA ASN A 38 5.924 2.097 6.372 1.00 0.00 C ATOM 553 C ASN A 38 4.686 2.652 7.072 1.00 0.00 C ATOM 554 O ASN A 38 3.867 1.895 7.597 1.00 0.00 O ATOM 555 CB ASN A 38 7.098 1.995 7.354 1.00 0.00 C ATOM 556 CG ASN A 38 7.652 3.345 7.768 1.00 0.00 C ATOM 557 OD1 ASN A 38 8.628 3.829 7.197 1.00 0.00 O ATOM 558 ND2 ASN A 38 7.033 3.956 8.771 1.00 0.00 N ATOM 0 H ASN A 38 7.210 3.304 5.220 1.00 0.00 H new ATOM 0 HA ASN A 38 5.706 1.091 6.015 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.773 1.455 8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.895 1.407 6.898 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.364 4.864 9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.227 3.517 9.216 1.00 0.00 H new ATOM 565 N GLY A 39 4.546 3.978 7.051 1.00 0.00 N ATOM 566 CA GLY A 39 3.396 4.616 7.656 1.00 0.00 C ATOM 567 C GLY A 39 2.164 4.528 6.769 1.00 0.00 C ATOM 568 O GLY A 39 1.040 4.485 7.268 1.00 0.00 O ATOM 0 H GLY A 39 5.214 4.619 6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.185 4.147 8.617 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.625 5.663 7.855 1.00 0.00 H new ATOM 572 N LEU A 40 2.376 4.496 5.447 1.00 0.00 N ATOM 573 CA LEU A 40 1.272 4.409 4.491 1.00 0.00 C ATOM 574 C LEU A 40 0.615 3.027 4.527 1.00 0.00 C ATOM 575 O LEU A 40 -0.613 2.917 4.585 1.00 0.00 O ATOM 576 CB LEU A 40 1.775 4.714 3.073 1.00 0.00 C ATOM 577 CG LEU A 40 0.705 5.165 2.068 1.00 0.00 C ATOM 578 CD1 LEU A 40 -0.229 4.015 1.718 1.00 0.00 C ATOM 579 CD2 LEU A 40 -0.081 6.350 2.614 1.00 0.00 C ATOM 0 H LEU A 40 3.301 4.529 5.019 1.00 0.00 H new ATOM 0 HA LEU A 40 0.523 5.149 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.537 5.491 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.262 3.821 2.681 1.00 0.00 H new ATOM 0 HG LEU A 40 1.210 5.481 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.978 4.359 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.346 3.201 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.724 3.661 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.834 6.654 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.571 6.064 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.598 7.182 2.802 1.00 0.00 H new ATOM 591 N VAL A 41 1.437 1.977 4.498 1.00 0.00 N ATOM 592 CA VAL A 41 0.931 0.603 4.530 1.00 0.00 C ATOM 593 C VAL A 41 0.181 0.331 5.828 1.00 0.00 C ATOM 594 O VAL A 41 -0.968 -0.104 5.807 1.00 0.00 O ATOM 595 CB VAL A 41 2.049 -0.455 4.360 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.216 -0.818 2.892 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.371 0.012 4.953 1.00 0.00 C ATOM 0 H VAL A 41 2.453 2.051 4.453 1.00 0.00 H new ATOM 0 HA VAL A 41 0.253 0.513 3.681 1.00 0.00 H new ATOM 0 HB VAL A 41 1.746 -1.345 4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.005 -1.563 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.280 -1.226 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.482 0.074 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.126 -0.761 4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.690 0.927 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.244 0.204 6.018 1.00 0.00 H new ATOM 607 N GLN A 42 0.835 0.602 6.954 1.00 0.00 N ATOM 608 CA GLN A 42 0.223 0.399 8.266 1.00 0.00 C ATOM 609 C GLN A 42 -1.127 1.120 8.361 1.00 0.00 C ATOM 610 O GLN A 42 -2.044 0.641 9.027 1.00 0.00 O ATOM 611 CB GLN A 42 1.165 0.888 9.366 1.00 0.00 C ATOM 612 CG GLN A 42 2.007 -0.219 9.981 1.00 0.00 C ATOM 613 CD GLN A 42 1.986 -0.197 11.499 1.00 0.00 C ATOM 614 OE1 GLN A 42 2.136 0.857 12.117 1.00 0.00 O ATOM 615 NE2 GLN A 42 1.806 -1.365 12.110 1.00 0.00 N ATOM 0 H GLN A 42 1.789 0.963 6.986 1.00 0.00 H new ATOM 0 HA GLN A 42 0.045 -0.668 8.399 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.826 1.650 8.954 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.578 1.365 10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.642 -1.185 9.631 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.036 -0.122 9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.686 -2.215 11.560 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.788 -1.410 13.129 1.00 0.00 H new ATOM 624 N LEU A 43 -1.245 2.265 7.684 1.00 0.00 N ATOM 625 CA LEU A 43 -2.489 3.040 7.687 1.00 0.00 C ATOM 626 C LEU A 43 -3.588 2.332 6.887 1.00 0.00 C ATOM 627 O LEU A 43 -4.774 2.556 7.125 1.00 0.00 O ATOM 628 CB LEU A 43 -2.248 4.440 7.104 1.00 0.00 C ATOM 629 CG LEU A 43 -3.151 5.557 7.648 1.00 0.00 C ATOM 630 CD1 LEU A 43 -4.563 5.437 7.089 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.178 5.545 9.172 1.00 0.00 C ATOM 0 H LEU A 43 -0.495 2.676 7.127 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.820 3.130 8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.210 4.716 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.376 4.389 6.023 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.734 6.510 7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.182 6.240 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.531 5.511 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.987 4.474 7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.825 6.346 9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.560 4.586 9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.169 5.695 9.555 1.00 0.00 H new ATOM 643 N LEU A 44 -3.193 1.480 5.933 1.00 0.00 N ATOM 644 CA LEU A 44 -4.161 0.759 5.109 1.00 0.00 C ATOM 645 C LEU A 44 -4.454 -0.636 5.668 1.00 0.00 C ATOM 646 O LEU A 44 -5.609 -1.069 5.681 1.00 0.00 O ATOM 647 CB LEU A 44 -3.680 0.667 3.650 1.00 0.00 C ATOM 648 CG LEU A 44 -2.774 -0.526 3.305 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.598 -1.703 2.804 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.741 -0.118 2.262 1.00 0.00 C ATOM 0 H LEU A 44 -2.217 1.276 5.716 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.092 1.326 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.556 0.629 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.144 1.585 3.408 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.254 -0.836 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.936 -2.536 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.303 -2.009 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.147 -1.408 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.105 -0.972 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.249 0.217 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.128 0.693 2.655 1.00 0.00 H new ATOM 662 N LYS A 45 -3.416 -1.347 6.117 1.00 0.00 N ATOM 663 CA LYS A 45 -3.603 -2.692 6.651 1.00 0.00 C ATOM 664 C LYS A 45 -3.809 -2.683 8.166 1.00 0.00 C ATOM 665 O LYS A 45 -4.853 -3.115 8.645 1.00 0.00 O ATOM 666 CB LYS A 45 -2.440 -3.614 6.257 1.00 0.00 C ATOM 667 CG LYS A 45 -1.052 -2.994 6.337 1.00 0.00 C ATOM 668 CD LYS A 45 0.006 -4.058 6.607 1.00 0.00 C ATOM 669 CE LYS A 45 1.374 -3.647 6.080 1.00 0.00 C ATOM 670 NZ LYS A 45 2.040 -2.661 6.975 1.00 0.00 N ATOM 0 H LYS A 45 -2.451 -1.016 6.121 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.514 -3.089 6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.463 -4.493 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.605 -3.961 5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.825 -2.479 5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.029 -2.244 7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.071 -4.241 7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.296 -4.996 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.005 -4.530 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.265 -3.218 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.903 -2.305 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.393 -1.868 7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.289 -3.121 7.874 1.00 0.00 H new ATOM 684 N THR A 46 -2.829 -2.194 8.925 1.00 0.00 N ATOM 685 CA THR A 46 -2.956 -2.154 10.384 1.00 0.00 C ATOM 686 C THR A 46 -4.233 -1.418 10.811 1.00 0.00 C ATOM 687 O THR A 46 -4.785 -1.693 11.878 1.00 0.00 O ATOM 688 CB THR A 46 -1.728 -1.503 11.023 1.00 0.00 C ATOM 689 OG1 THR A 46 -0.551 -1.826 10.297 1.00 0.00 O ATOM 690 CG2 THR A 46 -1.509 -1.930 12.459 1.00 0.00 C ATOM 0 H THR A 46 -1.950 -1.825 8.562 1.00 0.00 H new ATOM 0 HA THR A 46 -3.023 -3.184 10.736 1.00 0.00 H new ATOM 0 HB THR A 46 -1.924 -0.431 11.001 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.158 -2.647 10.660 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.623 -1.434 12.855 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.377 -1.654 13.057 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.369 -3.010 12.500 1.00 0.00 H new ATOM 698 N ASN A 47 -4.701 -0.492 9.972 1.00 0.00 N ATOM 699 CA ASN A 47 -5.916 0.268 10.263 1.00 0.00 C ATOM 700 C ASN A 47 -7.176 -0.517 9.874 1.00 0.00 C ATOM 701 O ASN A 47 -8.244 -0.304 10.450 1.00 0.00 O ATOM 702 CB ASN A 47 -5.888 1.609 9.529 1.00 0.00 C ATOM 703 CG ASN A 47 -6.285 2.766 10.424 1.00 0.00 C ATOM 704 OD1 ASN A 47 -5.621 3.050 11.421 1.00 0.00 O ATOM 705 ND2 ASN A 47 -7.371 3.447 10.072 1.00 0.00 N ATOM 0 H ASN A 47 -4.257 -0.251 9.086 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.948 0.446 11.338 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.886 1.784 9.136 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.563 1.566 8.674 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.682 4.238 10.636 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.893 3.179 9.238 1.00 0.00 H new ATOM 712 N TYR A 48 -7.045 -1.421 8.896 1.00 0.00 N ATOM 713 CA TYR A 48 -8.177 -2.229 8.439 1.00 0.00 C ATOM 714 C TYR A 48 -7.777 -3.701 8.262 1.00 0.00 C ATOM 715 O TYR A 48 -8.142 -4.540 9.084 1.00 0.00 O ATOM 716 CB TYR A 48 -8.732 -1.664 7.126 1.00 0.00 C ATOM 717 CG TYR A 48 -10.228 -1.415 7.144 1.00 0.00 C ATOM 718 CD1 TYR A 48 -10.833 -0.735 8.196 1.00 0.00 C ATOM 719 CD2 TYR A 48 -11.034 -1.854 6.100 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.194 -0.503 8.207 1.00 0.00 C ATOM 721 CE2 TYR A 48 -12.397 -1.626 6.106 1.00 0.00 C ATOM 722 CZ TYR A 48 -12.972 -0.948 7.160 1.00 0.00 C ATOM 723 OH TYR A 48 -14.330 -0.717 7.166 1.00 0.00 O ATOM 0 H TYR A 48 -6.169 -1.610 8.409 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.954 -2.185 9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.221 -0.728 6.901 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.499 -2.357 6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.228 -0.383 9.018 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.588 -2.382 5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.647 0.025 9.033 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.009 -1.977 5.289 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.730 -1.095 6.355 1.00 0.00 H new ATOM 733 N VAL A 49 -7.038 -3.997 7.180 1.00 0.00 N ATOM 734 CA VAL A 49 -6.578 -5.360 6.860 1.00 0.00 C ATOM 735 C VAL A 49 -7.655 -6.416 7.137 1.00 0.00 C ATOM 736 O VAL A 49 -7.739 -6.980 8.231 1.00 0.00 O ATOM 737 CB VAL A 49 -5.258 -5.734 7.595 1.00 0.00 C ATOM 738 CG1 VAL A 49 -5.445 -5.801 9.107 1.00 0.00 C ATOM 739 CG2 VAL A 49 -4.706 -7.050 7.061 1.00 0.00 C ATOM 0 H VAL A 49 -6.742 -3.296 6.500 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.373 -5.355 5.789 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.536 -4.942 7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.499 -6.065 9.579 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.776 -4.830 9.476 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.194 -6.556 9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.783 -7.297 7.586 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.437 -7.843 7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.503 -6.953 5.995 1.00 0.00 H new ATOM 749 N LYS A 50 -8.476 -6.683 6.125 1.00 0.00 N ATOM 750 CA LYS A 50 -9.543 -7.672 6.243 1.00 0.00 C ATOM 751 C LYS A 50 -8.977 -9.077 6.411 1.00 0.00 C ATOM 752 O LYS A 50 -9.327 -9.783 7.358 1.00 0.00 O ATOM 753 CB LYS A 50 -10.458 -7.618 5.019 1.00 0.00 C ATOM 754 CG LYS A 50 -11.770 -6.907 5.292 1.00 0.00 C ATOM 755 CD LYS A 50 -12.971 -7.790 4.981 1.00 0.00 C ATOM 756 CE LYS A 50 -13.153 -7.991 3.481 1.00 0.00 C ATOM 757 NZ LYS A 50 -14.400 -7.347 2.979 1.00 0.00 N ATOM 0 H LYS A 50 -8.423 -6.228 5.214 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.125 -7.431 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.939 -7.111 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.665 -8.634 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.806 -6.601 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.822 -5.999 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.845 -8.759 5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.871 -7.340 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.294 -7.578 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.181 -9.058 3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.575 -7.647 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.202 -7.632 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.294 -6.313 3.011 1.00 0.00 H new ATOM 771 N GLU A 51 -8.101 -9.479 5.492 1.00 0.00 N ATOM 772 CA GLU A 51 -7.493 -10.803 5.551 1.00 0.00 C ATOM 773 C GLU A 51 -6.395 -10.850 6.617 1.00 0.00 C ATOM 774 O GLU A 51 -6.140 -9.856 7.298 1.00 0.00 O ATOM 775 CB GLU A 51 -6.925 -11.186 4.179 1.00 0.00 C ATOM 776 CG GLU A 51 -7.292 -12.594 3.736 1.00 0.00 C ATOM 777 CD GLU A 51 -8.791 -12.827 3.699 1.00 0.00 C ATOM 778 OE1 GLU A 51 -9.474 -12.186 2.871 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.284 -13.647 4.502 1.00 0.00 O ATOM 0 H GLU A 51 -7.799 -8.909 4.702 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.263 -11.524 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.285 -10.475 3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.839 -11.095 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.876 -12.778 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.834 -13.314 4.414 1.00 0.00 H new ATOM 786 N ARG A 52 -5.751 -12.011 6.762 1.00 0.00 N ATOM 787 CA ARG A 52 -4.685 -12.180 7.751 1.00 0.00 C ATOM 788 C ARG A 52 -3.588 -11.129 7.566 1.00 0.00 C ATOM 789 O ARG A 52 -2.885 -11.133 6.557 1.00 0.00 O ATOM 790 CB ARG A 52 -4.081 -13.587 7.659 1.00 0.00 C ATOM 791 CG ARG A 52 -4.473 -14.498 8.813 1.00 0.00 C ATOM 792 CD ARG A 52 -3.253 -14.967 9.595 1.00 0.00 C ATOM 793 NE ARG A 52 -3.594 -15.994 10.579 1.00 0.00 N ATOM 794 CZ ARG A 52 -3.864 -17.267 10.271 1.00 0.00 C ATOM 795 NH1 ARG A 52 -3.832 -17.677 9.004 1.00 0.00 N ATOM 796 NH2 ARG A 52 -4.163 -18.132 11.235 1.00 0.00 N ATOM 0 H ARG A 52 -5.949 -12.845 6.209 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.126 -12.047 8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.395 -14.047 6.722 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.995 -13.505 7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.153 -13.969 9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.014 -15.363 8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.508 -15.361 8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.798 -14.116 10.102 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.628 -15.722 11.562 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.600 -17.018 8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.039 -18.650 8.777 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.186 -17.824 12.207 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.369 -19.103 11.003 1.00 0.00 H new ATOM 810 N PRO A 53 -3.418 -10.215 8.543 1.00 0.00 N ATOM 811 CA PRO A 53 -2.392 -9.166 8.474 1.00 0.00 C ATOM 812 C PRO A 53 -0.976 -9.737 8.391 1.00 0.00 C ATOM 813 O PRO A 53 -0.060 -9.069 7.909 1.00 0.00 O ATOM 814 CB PRO A 53 -2.571 -8.383 9.780 1.00 0.00 C ATOM 815 CG PRO A 53 -3.338 -9.290 10.681 1.00 0.00 C ATOM 816 CD PRO A 53 -4.202 -10.134 9.788 1.00 0.00 C ATOM 0 HA PRO A 53 -2.509 -8.555 7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.607 -8.119 10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.110 -7.451 9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.665 -9.911 11.272 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.945 -8.719 11.384 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.382 -11.120 10.216 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.177 -9.676 9.621 1.00 0.00 H new ATOM 824 N ASP A 54 -0.804 -10.974 8.860 1.00 0.00 N ATOM 825 CA ASP A 54 0.499 -11.629 8.836 1.00 0.00 C ATOM 826 C ASP A 54 0.723 -12.422 7.543 1.00 0.00 C ATOM 827 O ASP A 54 1.732 -13.115 7.408 1.00 0.00 O ATOM 828 CB ASP A 54 0.646 -12.555 10.045 1.00 0.00 C ATOM 829 CG ASP A 54 2.084 -12.678 10.502 1.00 0.00 C ATOM 830 OD1 ASP A 54 2.638 -11.675 11.000 1.00 0.00 O ATOM 831 OD2 ASP A 54 2.661 -13.776 10.356 1.00 0.00 O ATOM 0 H ASP A 54 -1.552 -11.540 9.260 1.00 0.00 H new ATOM 0 HA ASP A 54 1.256 -10.846 8.879 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.037 -12.177 10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.262 -13.543 9.792 1.00 0.00 H new ATOM 836 N LEU A 55 -0.210 -12.323 6.591 1.00 0.00 N ATOM 837 CA LEU A 55 -0.082 -13.041 5.324 1.00 0.00 C ATOM 838 C LEU A 55 0.584 -12.172 4.251 1.00 0.00 C ATOM 839 O LEU A 55 1.123 -12.695 3.274 1.00 0.00 O ATOM 840 CB LEU A 55 -1.453 -13.537 4.840 1.00 0.00 C ATOM 841 CG LEU A 55 -2.322 -12.503 4.111 1.00 0.00 C ATOM 842 CD1 LEU A 55 -1.986 -12.458 2.628 1.00 0.00 C ATOM 843 CD2 LEU A 55 -3.798 -12.817 4.306 1.00 0.00 C ATOM 0 H LEU A 55 -1.055 -11.757 6.674 1.00 0.00 H new ATOM 0 HA LEU A 55 0.559 -13.905 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.296 -14.385 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.009 -13.907 5.702 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.111 -11.523 4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.616 -11.718 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.938 -12.186 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.163 -13.438 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.400 -12.074 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.015 -13.807 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.037 -12.795 5.369 1.00 0.00 H new ATOM 855 N LEU A 56 0.541 -10.850 4.433 1.00 0.00 N ATOM 856 CA LEU A 56 1.141 -9.927 3.469 1.00 0.00 C ATOM 857 C LEU A 56 2.505 -9.436 3.935 1.00 0.00 C ATOM 858 O LEU A 56 3.449 -9.388 3.149 1.00 0.00 O ATOM 859 CB LEU A 56 0.234 -8.719 3.206 1.00 0.00 C ATOM 860 CG LEU A 56 -0.509 -8.152 4.421 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.824 -6.680 4.209 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.789 -8.936 4.684 1.00 0.00 C ATOM 0 H LEU A 56 0.100 -10.398 5.234 1.00 0.00 H new ATOM 0 HA LEU A 56 1.265 -10.487 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.840 -7.923 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.504 -9.002 2.455 1.00 0.00 H new ATOM 0 HG LEU A 56 0.137 -8.248 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.352 -6.292 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.104 -6.126 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.451 -6.566 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.301 -8.517 5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.440 -8.873 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.543 -9.980 4.878 1.00 0.00 H new ATOM 874 N VAL A 57 2.601 -9.053 5.207 1.00 0.00 N ATOM 875 CA VAL A 57 3.856 -8.549 5.759 1.00 0.00 C ATOM 876 C VAL A 57 5.001 -9.531 5.541 1.00 0.00 C ATOM 877 O VAL A 57 4.799 -10.745 5.485 1.00 0.00 O ATOM 878 CB VAL A 57 3.755 -8.237 7.265 1.00 0.00 C ATOM 879 CG1 VAL A 57 2.967 -6.957 7.491 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.140 -9.404 8.024 1.00 0.00 C ATOM 0 H VAL A 57 1.828 -9.082 5.872 1.00 0.00 H new ATOM 0 HA VAL A 57 4.060 -7.623 5.222 1.00 0.00 H new ATOM 0 HB VAL A 57 4.763 -8.088 7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.905 -6.752 8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.468 -6.128 6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.962 -7.072 7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.080 -9.158 9.084 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.139 -9.601 7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.760 -10.291 7.892 1.00 0.00 H new ATOM 890 N ASP A 58 6.204 -8.985 5.421 1.00 0.00 N ATOM 891 CA ASP A 58 7.401 -9.792 5.210 1.00 0.00 C ATOM 892 C ASP A 58 7.703 -10.647 6.437 1.00 0.00 C ATOM 893 O ASP A 58 7.833 -11.868 6.335 1.00 0.00 O ATOM 894 CB ASP A 58 8.594 -8.889 4.883 1.00 0.00 C ATOM 895 CG ASP A 58 9.769 -9.662 4.314 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.554 -10.481 3.397 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.904 -9.445 4.786 1.00 0.00 O ATOM 0 H ASP A 58 6.378 -7.981 5.466 1.00 0.00 H new ATOM 0 HA ASP A 58 7.222 -10.459 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.284 -8.127 4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.910 -8.368 5.787 1.00 0.00 H new ATOM 902 N GLN A 59 7.802 -9.996 7.599 1.00 0.00 N ATOM 903 CA GLN A 59 8.074 -10.696 8.855 1.00 0.00 C ATOM 904 C GLN A 59 8.053 -9.737 10.045 1.00 0.00 C ATOM 905 O GLN A 59 7.497 -10.059 11.096 1.00 0.00 O ATOM 906 CB GLN A 59 9.425 -11.421 8.797 1.00 0.00 C ATOM 907 CG GLN A 59 9.495 -12.648 9.696 1.00 0.00 C ATOM 908 CD GLN A 59 9.841 -13.915 8.936 1.00 0.00 C ATOM 909 OE1 GLN A 59 8.976 -14.751 8.676 1.00 0.00 O ATOM 910 NE2 GLN A 59 11.112 -14.065 8.576 1.00 0.00 N ATOM 0 H GLN A 59 7.698 -8.986 7.695 1.00 0.00 H new ATOM 0 HA GLN A 59 7.282 -11.432 8.992 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.623 -11.722 7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.214 -10.726 9.083 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.241 -12.481 10.473 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.536 -12.781 10.197 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.797 -13.347 8.812 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.402 -14.898 8.064 1.00 0.00 H new ATOM 919 N THR A 60 8.662 -8.563 9.875 1.00 0.00 N ATOM 920 CA THR A 60 8.713 -7.562 10.940 1.00 0.00 C ATOM 921 C THR A 60 7.482 -6.647 10.923 1.00 0.00 C ATOM 922 O THR A 60 7.456 -5.626 11.615 1.00 0.00 O ATOM 923 CB THR A 60 9.996 -6.728 10.823 1.00 0.00 C ATOM 924 OG1 THR A 60 10.010 -5.985 9.612 1.00 0.00 O ATOM 925 CG2 THR A 60 11.262 -7.562 10.868 1.00 0.00 C ATOM 0 H THR A 60 9.126 -8.283 9.011 1.00 0.00 H new ATOM 0 HA THR A 60 8.715 -8.093 11.892 1.00 0.00 H new ATOM 0 HB THR A 60 9.986 -6.066 11.689 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.836 -5.460 9.560 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.131 -6.910 10.780 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.308 -8.103 11.813 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.258 -8.274 10.043 1.00 0.00 H new ATOM 933 N GLY A 61 6.464 -7.010 10.134 1.00 0.00 N ATOM 934 CA GLY A 61 5.260 -6.200 10.052 1.00 0.00 C ATOM 935 C GLY A 61 5.541 -4.779 9.593 1.00 0.00 C ATOM 936 O GLY A 61 4.760 -3.865 9.864 1.00 0.00 O ATOM 0 H GLY A 61 6.456 -7.849 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.558 -6.668 9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.777 -6.173 11.029 1.00 0.00 H new ATOM 940 N GLN A 62 6.664 -4.599 8.898 1.00 0.00 N ATOM 941 CA GLN A 62 7.067 -3.287 8.394 1.00 0.00 C ATOM 942 C GLN A 62 6.952 -3.238 6.874 1.00 0.00 C ATOM 943 O GLN A 62 6.518 -2.235 6.304 1.00 0.00 O ATOM 944 CB GLN A 62 8.505 -2.975 8.829 1.00 0.00 C ATOM 945 CG GLN A 62 9.006 -1.609 8.377 1.00 0.00 C ATOM 946 CD GLN A 62 9.796 -0.888 9.455 1.00 0.00 C ATOM 947 OE1 GLN A 62 10.532 -1.509 10.224 1.00 0.00 O ATOM 948 NE2 GLN A 62 9.652 0.433 9.518 1.00 0.00 N ATOM 0 H GLN A 62 7.314 -5.351 8.670 1.00 0.00 H new ATOM 0 HA GLN A 62 6.400 -2.534 8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.565 -3.031 9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.169 -3.744 8.433 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.632 -1.731 7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.156 -0.994 8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.033 0.910 8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.161 0.969 10.221 1.00 0.00 H new ATOM 957 N THR A 63 7.336 -4.334 6.226 1.00 0.00 N ATOM 958 CA THR A 63 7.272 -4.436 4.772 1.00 0.00 C ATOM 959 C THR A 63 6.387 -5.613 4.369 1.00 0.00 C ATOM 960 O THR A 63 5.826 -6.291 5.230 1.00 0.00 O ATOM 961 CB THR A 63 8.681 -4.607 4.191 1.00 0.00 C ATOM 962 OG1 THR A 63 9.203 -5.886 4.504 1.00 0.00 O ATOM 963 CG2 THR A 63 9.666 -3.578 4.702 1.00 0.00 C ATOM 0 H THR A 63 7.697 -5.168 6.688 1.00 0.00 H new ATOM 0 HA THR A 63 6.840 -3.519 4.373 1.00 0.00 H new ATOM 0 HB THR A 63 8.565 -4.479 3.115 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.101 -5.975 4.123 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.643 -3.755 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.320 -2.579 4.436 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.746 -3.658 5.786 1.00 0.00 H new ATOM 971 N LEU A 64 6.265 -5.857 3.066 1.00 0.00 N ATOM 972 CA LEU A 64 5.448 -6.964 2.574 1.00 0.00 C ATOM 973 C LEU A 64 6.320 -8.065 1.980 1.00 0.00 C ATOM 974 O LEU A 64 7.448 -7.816 1.551 1.00 0.00 O ATOM 975 CB LEU A 64 4.446 -6.474 1.523 1.00 0.00 C ATOM 976 CG LEU A 64 3.302 -5.592 2.044 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.108 -5.669 1.107 1.00 0.00 C ATOM 978 CD2 LEU A 64 2.890 -5.995 3.456 1.00 0.00 C ATOM 0 H LEU A 64 6.718 -5.307 2.336 1.00 0.00 H new ATOM 0 HA LEU A 64 4.900 -7.372 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.991 -5.916 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.012 -7.344 1.030 1.00 0.00 H new ATOM 0 HG LEU A 64 3.661 -4.564 2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.305 -5.039 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.401 -5.323 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.761 -6.700 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.078 -5.352 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.555 -7.032 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.742 -5.890 4.128 1.00 0.00 H new ATOM 990 N ARG A 65 5.786 -9.284 1.960 1.00 0.00 N ATOM 991 CA ARG A 65 6.510 -10.438 1.421 1.00 0.00 C ATOM 992 C ARG A 65 6.851 -10.243 -0.061 1.00 0.00 C ATOM 993 O ARG A 65 6.111 -9.585 -0.793 1.00 0.00 O ATOM 994 CB ARG A 65 5.684 -11.718 1.602 1.00 0.00 C ATOM 995 CG ARG A 65 4.262 -11.616 1.064 1.00 0.00 C ATOM 996 CD ARG A 65 4.068 -12.466 -0.184 1.00 0.00 C ATOM 997 NE ARG A 65 2.655 -12.735 -0.450 1.00 0.00 N ATOM 998 CZ ARG A 65 1.916 -13.604 0.245 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.451 -14.295 1.249 1.00 0.00 N ATOM 1000 NH2 ARG A 65 0.634 -13.782 -0.065 1.00 0.00 N ATOM 0 H ARG A 65 4.853 -9.501 2.311 1.00 0.00 H new ATOM 0 HA ARG A 65 7.444 -10.531 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.193 -12.541 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.644 -11.966 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.558 -11.934 1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.034 -10.575 0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.508 -11.957 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.601 -13.410 -0.066 1.00 0.00 H new ATOM 0 HE ARG A 65 2.207 -12.228 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.433 -14.163 1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.879 -14.956 1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.217 -13.255 -0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.069 -14.445 0.465 1.00 0.00 H new ATOM 1014 N PRO A 66 7.984 -10.825 -0.515 1.00 0.00 N ATOM 1015 CA PRO A 66 8.438 -10.728 -1.915 1.00 0.00 C ATOM 1016 C PRO A 66 7.349 -11.082 -2.925 1.00 0.00 C ATOM 1017 O PRO A 66 7.314 -10.528 -4.024 1.00 0.00 O ATOM 1018 CB PRO A 66 9.572 -11.751 -1.986 1.00 0.00 C ATOM 1019 CG PRO A 66 10.102 -11.820 -0.601 1.00 0.00 C ATOM 1020 CD PRO A 66 8.915 -11.627 0.304 1.00 0.00 C ATOM 0 HA PRO A 66 8.732 -9.710 -2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.209 -12.723 -2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.343 -11.440 -2.690 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.584 -12.780 -0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.853 -11.048 -0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.474 -12.580 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.191 -11.108 1.222 1.00 0.00 H new ATOM 1028 N GLY A 67 6.464 -12.007 -2.542 1.00 0.00 N ATOM 1029 CA GLY A 67 5.378 -12.426 -3.417 1.00 0.00 C ATOM 1030 C GLY A 67 4.627 -11.257 -4.041 1.00 0.00 C ATOM 1031 O GLY A 67 4.203 -11.335 -5.195 1.00 0.00 O ATOM 0 H GLY A 67 6.482 -12.475 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.781 -13.056 -4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.678 -13.038 -2.849 1.00 0.00 H new ATOM 1035 N ILE A 68 4.468 -10.170 -3.282 1.00 0.00 N ATOM 1036 CA ILE A 68 3.772 -8.986 -3.779 1.00 0.00 C ATOM 1037 C ILE A 68 4.755 -7.985 -4.385 1.00 0.00 C ATOM 1038 O ILE A 68 5.831 -7.746 -3.831 1.00 0.00 O ATOM 1039 CB ILE A 68 2.970 -8.281 -2.664 1.00 0.00 C ATOM 1040 CG1 ILE A 68 2.053 -9.273 -1.942 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.156 -7.128 -3.236 1.00 0.00 C ATOM 1042 CD1 ILE A 68 2.005 -9.059 -0.447 1.00 0.00 C ATOM 0 H ILE A 68 4.811 -10.087 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 68 3.080 -9.333 -4.547 1.00 0.00 H new ATOM 0 HB ILE A 68 3.679 -7.880 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.045 -9.187 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.394 -10.288 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.598 -6.644 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.826 -6.404 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.460 -7.509 -3.984 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.338 -9.794 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.006 -9.173 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.636 -8.056 -0.235 1.00 0.00 H new ATOM 1054 N LEU A 69 4.376 -7.402 -5.520 1.00 0.00 N ATOM 1055 CA LEU A 69 5.218 -6.425 -6.203 1.00 0.00 C ATOM 1056 C LEU A 69 4.713 -5.004 -5.959 1.00 0.00 C ATOM 1057 O LEU A 69 3.689 -4.597 -6.511 1.00 0.00 O ATOM 1058 CB LEU A 69 5.257 -6.715 -7.706 1.00 0.00 C ATOM 1059 CG LEU A 69 6.344 -5.967 -8.484 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.702 -6.623 -8.277 1.00 0.00 C ATOM 1061 CD2 LEU A 69 5.996 -5.910 -9.964 1.00 0.00 C ATOM 0 H LEU A 69 3.489 -7.590 -5.986 1.00 0.00 H new ATOM 0 HA LEU A 69 6.227 -6.507 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.401 -7.786 -7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.287 -6.463 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 69 6.398 -4.947 -8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.460 -6.076 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.955 -6.609 -7.217 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.665 -7.654 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.779 -5.375 -10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.913 -6.923 -10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.047 -5.391 -10.095 1.00 0.00 H new ATOM 1073 N VAL A 70 5.442 -4.254 -5.132 1.00 0.00 N ATOM 1074 CA VAL A 70 5.070 -2.874 -4.819 1.00 0.00 C ATOM 1075 C VAL A 70 5.607 -1.912 -5.878 1.00 0.00 C ATOM 1076 O VAL A 70 6.773 -1.995 -6.269 1.00 0.00 O ATOM 1077 CB VAL A 70 5.583 -2.432 -3.429 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.801 -3.121 -2.322 1.00 0.00 C ATOM 1079 CG2 VAL A 70 7.075 -2.702 -3.285 1.00 0.00 C ATOM 0 H VAL A 70 6.291 -4.578 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 70 3.981 -2.842 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 70 5.426 -1.357 -3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.179 -2.795 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.746 -2.861 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.917 -4.201 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.409 -2.382 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.265 -3.769 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.620 -2.149 -4.050 1.00 0.00 H new ATOM 1089 N LEU A 71 4.748 -1.003 -6.340 1.00 0.00 N ATOM 1090 CA LEU A 71 5.137 -0.026 -7.359 1.00 0.00 C ATOM 1091 C LEU A 71 4.654 1.379 -6.999 1.00 0.00 C ATOM 1092 O LEU A 71 3.544 1.556 -6.490 1.00 0.00 O ATOM 1093 CB LEU A 71 4.586 -0.421 -8.735 1.00 0.00 C ATOM 1094 CG LEU A 71 4.438 -1.924 -8.986 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.533 -2.173 -10.183 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.802 -2.567 -9.201 1.00 0.00 C ATOM 0 H LEU A 71 3.781 -0.922 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 71 6.226 -0.019 -7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.610 0.048 -8.863 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.242 -0.007 -9.501 1.00 0.00 H new ATOM 0 HG LEU A 71 3.981 -2.379 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.437 -3.246 -10.350 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.549 -1.746 -9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.964 -1.706 -11.068 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.677 -3.635 -9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.287 -2.111 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.419 -2.416 -8.315 1.00 0.00 H new ATOM 1108 N VAL A 72 5.495 2.374 -7.281 1.00 0.00 N ATOM 1109 CA VAL A 72 5.170 3.769 -7.008 1.00 0.00 C ATOM 1110 C VAL A 72 5.160 4.581 -8.301 1.00 0.00 C ATOM 1111 O VAL A 72 6.164 4.633 -9.015 1.00 0.00 O ATOM 1112 CB VAL A 72 6.173 4.410 -6.023 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.737 5.822 -5.649 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.330 3.552 -4.775 1.00 0.00 C ATOM 0 H VAL A 72 6.414 2.235 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 72 4.179 3.780 -6.554 1.00 0.00 H new ATOM 0 HB VAL A 72 7.141 4.471 -6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.458 6.254 -4.955 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.686 6.437 -6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.755 5.787 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.041 4.023 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.365 3.453 -4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.697 2.565 -5.056 1.00 0.00 H new ATOM 1124 N ASN A 73 4.021 5.210 -8.597 1.00 0.00 N ATOM 1125 CA ASN A 73 3.871 6.021 -9.807 1.00 0.00 C ATOM 1126 C ASN A 73 4.111 5.181 -11.067 1.00 0.00 C ATOM 1127 O ASN A 73 4.815 5.606 -11.987 1.00 0.00 O ATOM 1128 CB ASN A 73 4.833 7.216 -9.771 1.00 0.00 C ATOM 1129 CG ASN A 73 4.104 8.547 -9.804 1.00 0.00 C ATOM 1130 OD1 ASN A 73 3.531 8.927 -10.826 1.00 0.00 O ATOM 1131 ND2 ASN A 73 4.119 9.264 -8.685 1.00 0.00 N ATOM 0 H ASN A 73 3.186 5.173 -8.013 1.00 0.00 H new ATOM 0 HA ASN A 73 2.847 6.394 -9.839 1.00 0.00 H new ATOM 0 HB2 ASN A 73 5.443 7.161 -8.869 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.514 7.157 -10.620 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.644 10.166 -8.651 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.606 8.912 -7.860 1.00 0.00 H new ATOM 1138 N SER A 74 3.520 3.983 -11.097 1.00 0.00 N ATOM 1139 CA SER A 74 3.666 3.075 -12.234 1.00 0.00 C ATOM 1140 C SER A 74 5.136 2.697 -12.457 1.00 0.00 C ATOM 1141 O SER A 74 5.599 2.599 -13.596 1.00 0.00 O ATOM 1142 CB SER A 74 3.082 3.713 -13.499 1.00 0.00 C ATOM 1143 OG SER A 74 2.389 2.756 -14.283 1.00 0.00 O ATOM 0 H SER A 74 2.935 3.621 -10.344 1.00 0.00 H new ATOM 0 HA SER A 74 3.115 2.162 -12.011 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.404 4.520 -13.222 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.884 4.158 -14.088 1.00 0.00 H new ATOM 0 HG SER A 74 2.025 3.190 -15.083 1.00 0.00 H new ATOM 1149 N CYS A 75 5.863 2.480 -11.360 1.00 0.00 N ATOM 1150 CA CYS A 75 7.273 2.109 -11.431 1.00 0.00 C ATOM 1151 C CYS A 75 7.684 1.321 -10.189 1.00 0.00 C ATOM 1152 O CYS A 75 7.078 1.466 -9.131 1.00 0.00 O ATOM 1153 CB CYS A 75 8.145 3.359 -11.577 1.00 0.00 C ATOM 1154 SG CYS A 75 9.863 3.014 -12.022 1.00 0.00 S ATOM 0 H CYS A 75 5.496 2.555 -10.411 1.00 0.00 H new ATOM 0 HA CYS A 75 7.418 1.476 -12.306 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.708 4.007 -12.336 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.128 3.912 -10.638 1.00 0.00 H new ATOM 0 HG CYS A 75 10.518 4.132 -12.124 1.00 0.00 H new ATOM 1160 N ASP A 76 8.714 0.483 -10.329 1.00 0.00 N ATOM 1161 CA ASP A 76 9.205 -0.338 -9.218 1.00 0.00 C ATOM 1162 C ASP A 76 9.371 0.484 -7.940 1.00 0.00 C ATOM 1163 O ASP A 76 10.123 1.459 -7.912 1.00 0.00 O ATOM 1164 CB ASP A 76 10.542 -0.994 -9.581 1.00 0.00 C ATOM 1165 CG ASP A 76 10.441 -1.911 -10.785 1.00 0.00 C ATOM 1166 OD1 ASP A 76 9.518 -2.753 -10.820 1.00 0.00 O ATOM 1167 OD2 ASP A 76 11.290 -1.788 -11.693 1.00 0.00 O ATOM 0 H ASP A 76 9.225 0.355 -11.202 1.00 0.00 H new ATOM 0 HA ASP A 76 8.459 -1.111 -9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.279 -0.217 -9.783 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.906 -1.564 -8.726 1.00 0.00 H new ATOM 1172 N ALA A 77 8.664 0.077 -6.885 1.00 0.00 N ATOM 1173 CA ALA A 77 8.732 0.772 -5.599 1.00 0.00 C ATOM 1174 C ALA A 77 9.961 0.350 -4.793 1.00 0.00 C ATOM 1175 O ALA A 77 10.372 1.059 -3.874 1.00 0.00 O ATOM 1176 CB ALA A 77 7.468 0.524 -4.791 1.00 0.00 C ATOM 0 H ALA A 77 8.039 -0.729 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 77 8.818 1.838 -5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.537 1.049 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.604 0.890 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.356 -0.545 -4.610 1.00 0.00 H new ATOM 1182 N GLU A 78 10.546 -0.801 -5.137 1.00 0.00 N ATOM 1183 CA GLU A 78 11.726 -1.298 -4.435 1.00 0.00 C ATOM 1184 C GLU A 78 12.979 -0.552 -4.884 1.00 0.00 C ATOM 1185 O GLU A 78 13.924 -0.393 -4.111 1.00 0.00 O ATOM 1186 CB GLU A 78 11.903 -2.801 -4.667 1.00 0.00 C ATOM 1187 CG GLU A 78 10.638 -3.613 -4.418 1.00 0.00 C ATOM 1188 CD GLU A 78 10.766 -4.561 -3.239 1.00 0.00 C ATOM 1189 OE1 GLU A 78 11.747 -5.335 -3.197 1.00 0.00 O ATOM 1190 OE2 GLU A 78 9.882 -4.531 -2.356 1.00 0.00 O ATOM 0 H GLU A 78 10.221 -1.402 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 78 11.578 -1.123 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.233 -2.965 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.695 -3.169 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.805 -2.933 -4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.398 -4.186 -5.314 1.00 0.00 H new ATOM 1197 N VAL A 79 12.979 -0.091 -6.137 1.00 0.00 N ATOM 1198 CA VAL A 79 14.119 0.638 -6.677 1.00 0.00 C ATOM 1199 C VAL A 79 14.316 1.968 -5.949 1.00 0.00 C ATOM 1200 O VAL A 79 15.417 2.274 -5.493 1.00 0.00 O ATOM 1201 CB VAL A 79 13.961 0.908 -8.189 1.00 0.00 C ATOM 1202 CG1 VAL A 79 15.208 1.582 -8.744 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.668 -0.384 -8.943 1.00 0.00 C ATOM 0 H VAL A 79 12.205 -0.211 -6.790 1.00 0.00 H new ATOM 0 HA VAL A 79 14.995 0.007 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 79 13.115 1.581 -8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.079 1.765 -9.811 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.368 2.530 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.071 0.935 -8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.561 -0.169 -10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.489 -1.085 -8.796 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.744 -0.823 -8.567 1.00 0.00 H new ATOM 1213 N VAL A 80 13.242 2.752 -5.842 1.00 0.00 N ATOM 1214 CA VAL A 80 13.299 4.048 -5.164 1.00 0.00 C ATOM 1215 C VAL A 80 13.689 3.895 -3.693 1.00 0.00 C ATOM 1216 O VAL A 80 14.401 4.736 -3.143 1.00 0.00 O ATOM 1217 CB VAL A 80 11.954 4.804 -5.250 1.00 0.00 C ATOM 1218 CG1 VAL A 80 11.657 5.198 -6.689 1.00 0.00 C ATOM 1219 CG2 VAL A 80 10.818 3.967 -4.671 1.00 0.00 C ATOM 0 H VAL A 80 12.324 2.513 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 80 14.063 4.628 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 80 12.035 5.713 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.706 5.729 -6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.452 5.845 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.600 4.302 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.883 4.522 -4.744 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.731 3.035 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.027 3.744 -3.625 1.00 0.00 H new ATOM 1229 N GLY A 81 13.218 2.816 -3.064 1.00 0.00 N ATOM 1230 CA GLY A 81 13.527 2.575 -1.666 1.00 0.00 C ATOM 1231 C GLY A 81 12.963 1.257 -1.157 1.00 0.00 C ATOM 1232 O GLY A 81 13.656 0.509 -0.466 1.00 0.00 O ATOM 0 H GLY A 81 12.629 2.107 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.609 2.578 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.129 3.392 -1.064 1.00 0.00 H new ATOM 1236 N GLY A 82 11.703 0.975 -1.497 1.00 0.00 N ATOM 1237 CA GLY A 82 11.066 -0.258 -1.059 1.00 0.00 C ATOM 1238 C GLY A 82 10.249 -0.064 0.203 1.00 0.00 C ATOM 1239 O GLY A 82 9.079 -0.450 0.260 1.00 0.00 O ATOM 0 H GLY A 82 11.113 1.580 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.421 -0.634 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.829 -1.016 -0.883 1.00 0.00 H new ATOM 1243 N MET A 83 10.870 0.535 1.216 1.00 0.00 N ATOM 1244 CA MET A 83 10.206 0.788 2.491 1.00 0.00 C ATOM 1245 C MET A 83 10.633 2.138 3.081 1.00 0.00 C ATOM 1246 O MET A 83 10.552 2.344 4.293 1.00 0.00 O ATOM 1247 CB MET A 83 10.525 -0.341 3.478 1.00 0.00 C ATOM 1248 CG MET A 83 12.015 -0.557 3.698 1.00 0.00 C ATOM 1249 SD MET A 83 12.362 -1.867 4.888 1.00 0.00 S ATOM 1250 CE MET A 83 13.826 -2.601 4.163 1.00 0.00 C ATOM 0 H MET A 83 11.838 0.856 1.177 1.00 0.00 H new ATOM 0 HA MET A 83 9.131 0.822 2.314 1.00 0.00 H new ATOM 0 HB2 MET A 83 10.054 -0.119 4.435 1.00 0.00 H new ATOM 0 HB3 MET A 83 10.082 -1.268 3.112 1.00 0.00 H new ATOM 0 HG2 MET A 83 12.486 -0.802 2.746 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.465 0.373 4.046 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.164 -3.429 4.786 1.00 0.00 H new ATOM 0 HE2 MET A 83 13.592 -2.970 3.164 1.00 0.00 H new ATOM 0 HE3 MET A 83 14.614 -1.851 4.097 1.00 0.00 H new ATOM 1260 N ASP A 84 11.090 3.054 2.221 1.00 0.00 N ATOM 1261 CA ASP A 84 11.532 4.372 2.675 1.00 0.00 C ATOM 1262 C ASP A 84 11.100 5.485 1.714 1.00 0.00 C ATOM 1263 O ASP A 84 11.743 6.535 1.642 1.00 0.00 O ATOM 1264 CB ASP A 84 13.058 4.380 2.840 1.00 0.00 C ATOM 1265 CG ASP A 84 13.549 5.487 3.759 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.786 5.905 4.659 1.00 0.00 O ATOM 1267 OD2 ASP A 84 14.701 5.933 3.581 1.00 0.00 O ATOM 0 H ASP A 84 11.162 2.907 1.214 1.00 0.00 H new ATOM 0 HA ASP A 84 11.057 4.569 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.380 3.417 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.523 4.494 1.861 1.00 0.00 H new ATOM 1272 N TYR A 85 10.006 5.260 0.985 1.00 0.00 N ATOM 1273 CA TYR A 85 9.500 6.256 0.045 1.00 0.00 C ATOM 1274 C TYR A 85 8.605 7.271 0.754 1.00 0.00 C ATOM 1275 O TYR A 85 7.424 7.012 0.995 1.00 0.00 O ATOM 1276 CB TYR A 85 8.733 5.580 -1.092 1.00 0.00 C ATOM 1277 CG TYR A 85 8.491 6.484 -2.280 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.416 6.566 -3.315 1.00 0.00 C ATOM 1279 CD2 TYR A 85 7.338 7.253 -2.368 1.00 0.00 C ATOM 1280 CE1 TYR A 85 9.196 7.388 -4.403 1.00 0.00 C ATOM 1281 CE2 TYR A 85 7.111 8.077 -3.452 1.00 0.00 C ATOM 1282 CZ TYR A 85 8.043 8.141 -4.467 1.00 0.00 C ATOM 1283 OH TYR A 85 7.818 8.956 -5.554 1.00 0.00 O ATOM 0 H TYR A 85 9.457 4.401 1.028 1.00 0.00 H new ATOM 0 HA TYR A 85 10.355 6.786 -0.375 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.288 4.702 -1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.774 5.227 -0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.321 5.978 -3.267 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.606 7.206 -1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.924 7.441 -5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.209 8.668 -3.505 1.00 0.00 H new ATOM 0 HH TYR A 85 6.960 9.417 -5.445 1.00 0.00 H new ATOM 1293 N VAL A 86 9.183 8.423 1.093 1.00 0.00 N ATOM 1294 CA VAL A 86 8.448 9.484 1.780 1.00 0.00 C ATOM 1295 C VAL A 86 7.283 9.999 0.935 1.00 0.00 C ATOM 1296 O VAL A 86 7.397 10.123 -0.286 1.00 0.00 O ATOM 1297 CB VAL A 86 9.368 10.672 2.150 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.405 10.246 3.177 1.00 0.00 C ATOM 1299 CG2 VAL A 86 10.039 11.252 0.911 1.00 0.00 C ATOM 0 H VAL A 86 10.160 8.645 0.902 1.00 0.00 H new ATOM 0 HA VAL A 86 8.056 9.041 2.696 1.00 0.00 H new ATOM 0 HB VAL A 86 8.750 11.454 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.042 11.095 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.902 9.895 4.078 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.015 9.442 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.679 12.085 1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.641 10.482 0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.277 11.605 0.216 1.00 0.00 H new ATOM 1309 N LEU A 87 6.163 10.295 1.595 1.00 0.00 N ATOM 1310 CA LEU A 87 4.971 10.795 0.911 1.00 0.00 C ATOM 1311 C LEU A 87 4.897 12.321 0.974 1.00 0.00 C ATOM 1312 O LEU A 87 5.534 12.950 1.821 1.00 0.00 O ATOM 1313 CB LEU A 87 3.708 10.183 1.531 1.00 0.00 C ATOM 1314 CG LEU A 87 2.994 9.142 0.664 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.556 7.752 0.926 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.494 9.171 0.925 1.00 0.00 C ATOM 0 H LEU A 87 6.057 10.197 2.605 1.00 0.00 H new ATOM 0 HA LEU A 87 5.036 10.500 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.977 9.719 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.007 10.987 1.756 1.00 0.00 H new ATOM 0 HG LEU A 87 3.166 9.389 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.036 7.026 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.620 7.739 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.415 7.494 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.002 8.425 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.303 8.949 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.102 10.160 0.686 1.00 0.00 H new ATOM 1328 N ASN A 88 4.114 12.908 0.068 1.00 0.00 N ATOM 1329 CA ASN A 88 3.951 14.360 0.014 1.00 0.00 C ATOM 1330 C ASN A 88 2.654 14.752 -0.703 1.00 0.00 C ATOM 1331 O ASN A 88 2.590 15.803 -1.342 1.00 0.00 O ATOM 1332 CB ASN A 88 5.154 14.998 -0.689 1.00 0.00 C ATOM 1333 CG ASN A 88 5.731 16.161 0.096 1.00 0.00 C ATOM 1334 OD1 ASN A 88 6.354 15.973 1.140 1.00 0.00 O ATOM 1335 ND2 ASN A 88 5.526 17.374 -0.406 1.00 0.00 N ATOM 0 H ASN A 88 3.583 12.399 -0.639 1.00 0.00 H new ATOM 0 HA ASN A 88 3.893 14.730 1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.927 14.244 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.852 15.344 -1.678 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.891 18.194 0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.004 17.485 -1.275 1.00 0.00 H new ATOM 1342 N ASP A 89 1.628 13.903 -0.591 1.00 0.00 N ATOM 1343 CA ASP A 89 0.332 14.150 -1.224 1.00 0.00 C ATOM 1344 C ASP A 89 0.435 14.026 -2.742 1.00 0.00 C ATOM 1345 O ASP A 89 1.207 14.738 -3.383 1.00 0.00 O ATOM 1346 CB ASP A 89 -0.213 15.531 -0.844 1.00 0.00 C ATOM 1347 CG ASP A 89 -1.662 15.491 -0.389 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -2.357 14.492 -0.680 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -2.101 16.460 0.262 1.00 0.00 O ATOM 0 H ASP A 89 1.673 13.032 -0.063 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.362 13.393 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.401 15.952 -0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.125 16.199 -1.701 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.344 13.104 -3.302 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.329 12.877 -4.737 1.00 0.00 C ATOM 1356 C GLY A 90 0.564 11.709 -5.118 1.00 0.00 C ATOM 1357 O GLY A 90 1.196 11.720 -6.175 1.00 0.00 O ATOM 0 H GLY A 90 -0.989 12.507 -2.784 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.344 12.686 -5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.017 13.778 -5.243 1.00 0.00 H new ATOM 1361 N ASP A 91 0.617 10.703 -4.242 1.00 0.00 N ATOM 1362 CA ASP A 91 1.440 9.520 -4.466 1.00 0.00 C ATOM 1363 C ASP A 91 0.599 8.335 -4.944 1.00 0.00 C ATOM 1364 O ASP A 91 -0.631 8.364 -4.879 1.00 0.00 O ATOM 1365 CB ASP A 91 2.181 9.151 -3.173 1.00 0.00 C ATOM 1366 CG ASP A 91 3.510 8.454 -3.417 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.068 8.587 -4.528 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.996 7.773 -2.489 1.00 0.00 O ATOM 0 H ASP A 91 0.094 10.688 -3.366 1.00 0.00 H new ATOM 0 HA ASP A 91 2.163 9.753 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.355 10.056 -2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.545 8.503 -2.570 1.00 0.00 H new ATOM 1373 N THR A 92 1.278 7.295 -5.422 1.00 0.00 N ATOM 1374 CA THR A 92 0.608 6.095 -5.911 1.00 0.00 C ATOM 1375 C THR A 92 1.332 4.837 -5.432 1.00 0.00 C ATOM 1376 O THR A 92 2.558 4.749 -5.515 1.00 0.00 O ATOM 1377 CB THR A 92 0.539 6.113 -7.443 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.174 7.248 -7.904 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.126 4.883 -8.027 1.00 0.00 C ATOM 0 H THR A 92 2.296 7.260 -5.481 1.00 0.00 H new ATOM 0 HA THR A 92 -0.406 6.082 -5.511 1.00 0.00 H new ATOM 0 HB THR A 92 1.576 6.139 -7.776 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.204 7.240 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.142 4.960 -9.114 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.432 3.994 -7.734 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.147 4.810 -7.653 1.00 0.00 H new ATOM 1387 N VAL A 93 0.565 3.866 -4.940 1.00 0.00 N ATOM 1388 CA VAL A 93 1.127 2.609 -4.453 1.00 0.00 C ATOM 1389 C VAL A 93 0.225 1.430 -4.824 1.00 0.00 C ATOM 1390 O VAL A 93 -1.000 1.511 -4.705 1.00 0.00 O ATOM 1391 CB VAL A 93 1.348 2.637 -2.922 1.00 0.00 C ATOM 1392 CG1 VAL A 93 0.060 2.992 -2.189 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.904 1.305 -2.432 1.00 0.00 C ATOM 0 H VAL A 93 -0.451 3.927 -4.868 1.00 0.00 H new ATOM 0 HA VAL A 93 2.096 2.483 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 93 2.082 3.413 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.244 3.004 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.282 3.976 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.705 2.250 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.052 1.347 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.201 0.507 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.858 1.107 -2.921 1.00 0.00 H new ATOM 1403 N GLU A 94 0.837 0.337 -5.284 1.00 0.00 N ATOM 1404 CA GLU A 94 0.085 -0.852 -5.685 1.00 0.00 C ATOM 1405 C GLU A 94 0.655 -2.119 -5.050 1.00 0.00 C ATOM 1406 O GLU A 94 1.856 -2.211 -4.791 1.00 0.00 O ATOM 1407 CB GLU A 94 0.096 -0.995 -7.210 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.353 0.259 -7.943 1.00 0.00 C ATOM 1409 CD GLU A 94 0.351 0.445 -9.272 1.00 0.00 C ATOM 1410 OE1 GLU A 94 1.453 1.034 -9.284 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -0.201 0.006 -10.301 1.00 0.00 O ATOM 0 H GLU A 94 1.848 0.251 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.939 -0.726 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.104 -1.254 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.553 -1.823 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.429 0.211 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.167 1.129 -7.313 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.221 -3.095 -4.819 1.00 0.00 N ATOM 1419 CA PHE A 95 0.177 -4.373 -4.230 1.00 0.00 C ATOM 1420 C PHE A 95 -0.378 -5.529 -5.060 1.00 0.00 C ATOM 1421 O PHE A 95 -1.573 -5.829 -5.002 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.320 -4.475 -2.783 1.00 0.00 C ATOM 1423 CG PHE A 95 0.059 -3.296 -1.929 1.00 0.00 C ATOM 1424 CD1 PHE A 95 1.366 -3.123 -1.502 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -0.893 -2.361 -1.553 1.00 0.00 C ATOM 1426 CE1 PHE A 95 1.716 -2.040 -0.718 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -0.549 -1.278 -0.768 1.00 0.00 C ATOM 1428 CZ PHE A 95 0.758 -1.117 -0.351 1.00 0.00 C ATOM 0 H PHE A 95 -1.216 -3.025 -5.032 1.00 0.00 H new ATOM 0 HA PHE A 95 1.265 -4.430 -4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.405 -4.575 -2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.082 -5.383 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.120 -3.843 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.916 -2.481 -1.878 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.738 -1.916 -0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.301 -0.558 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.030 -0.270 0.261 1.00 0.00 H new ATOM 1438 N ILE A 96 0.497 -6.167 -5.837 1.00 0.00 N ATOM 1439 CA ILE A 96 0.099 -7.285 -6.690 1.00 0.00 C ATOM 1440 C ILE A 96 0.845 -8.561 -6.305 1.00 0.00 C ATOM 1441 O ILE A 96 2.068 -8.638 -6.431 1.00 0.00 O ATOM 1442 CB ILE A 96 0.357 -6.975 -8.183 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -0.184 -5.586 -8.547 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -0.273 -8.043 -9.067 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.083 -5.186 -9.983 1.00 0.00 C ATOM 0 H ILE A 96 1.487 -5.928 -5.893 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.970 -7.435 -6.541 1.00 0.00 H new ATOM 0 HB ILE A 96 1.434 -6.979 -8.353 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.259 -5.566 -8.367 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.264 -4.846 -7.884 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.081 -7.808 -10.114 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.159 -9.015 -8.828 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.349 -8.072 -8.893 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.328 -4.193 -10.167 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.158 -5.173 -10.163 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.389 -5.904 -10.654 1.00 0.00 H new ATOM 1457 N SER A 97 0.100 -9.560 -5.831 1.00 0.00 N ATOM 1458 CA SER A 97 0.689 -10.833 -5.419 1.00 0.00 C ATOM 1459 C SER A 97 0.946 -11.739 -6.620 1.00 0.00 C ATOM 1460 O SER A 97 0.134 -11.810 -7.545 1.00 0.00 O ATOM 1461 CB SER A 97 -0.226 -11.542 -4.416 1.00 0.00 C ATOM 1462 OG SER A 97 0.329 -12.776 -3.992 1.00 0.00 O ATOM 0 H SER A 97 -0.913 -9.511 -5.723 1.00 0.00 H new ATOM 0 HA SER A 97 1.646 -10.619 -4.943 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.389 -10.898 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.201 -11.717 -4.871 1.00 0.00 H new ATOM 0 HG SER A 97 -0.277 -13.204 -3.351 1.00 0.00 H new ATOM 1468 N THR A 98 2.082 -12.434 -6.591 1.00 0.00 N ATOM 1469 CA THR A 98 2.461 -13.347 -7.669 1.00 0.00 C ATOM 1470 C THR A 98 2.917 -14.693 -7.108 1.00 0.00 C ATOM 1471 O THR A 98 2.442 -15.745 -7.541 1.00 0.00 O ATOM 1472 CB THR A 98 3.565 -12.729 -8.536 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.619 -12.218 -7.734 1.00 0.00 O ATOM 1474 CG2 THR A 98 3.070 -11.604 -9.417 1.00 0.00 C ATOM 0 H THR A 98 2.759 -12.382 -5.830 1.00 0.00 H new ATOM 0 HA THR A 98 1.583 -13.516 -8.292 1.00 0.00 H new ATOM 0 HB THR A 98 3.918 -13.542 -9.171 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.255 -11.894 -6.883 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.899 -11.210 -10.005 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.297 -11.980 -10.087 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.657 -10.810 -8.795 1.00 0.00 H new