USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 1 MET CE :methyl 154:sc= -0.0598 (180deg=-0.521) USER MOD Single : A 1 MET N :NH3+ 157:sc= -4.07! (180deg=-5.24!) USER MOD Single : A 2 GLN : amide:sc= -1.01 X(o=-1,f=-0.99) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -65:sc= 1.15 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -132:sc= 0.192 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00364 USER MOD Single : A 25 ASN : amide:sc= -0.361 K(o=-0.36,f=-3.1!) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 0.297 (180deg=0.178) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -7.68! C(o=-7.7!,f=-13!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.04 X(o=-1,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.963 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.22 USER MOD Single : A 60 ASN : amide:sc= -0.715 K(o=-0.72,f=0.74) USER MOD Single : A 62 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 36:sc= 0.57 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.343 -5.531 4.305 1.00 0.00 N ATOM 2 CA MET A 1 -12.455 -4.896 5.607 1.00 0.00 C ATOM 3 C MET A 1 -11.639 -3.603 5.659 1.00 0.00 C ATOM 4 O MET A 1 -11.148 -3.133 4.634 1.00 0.00 O ATOM 5 CB MET A 1 -11.958 -5.856 6.689 1.00 0.00 C ATOM 6 CG MET A 1 -10.495 -6.236 6.455 1.00 0.00 C ATOM 7 SD MET A 1 -10.003 -7.508 7.607 1.00 0.00 S ATOM 8 CE MET A 1 -10.835 -8.915 6.890 1.00 0.00 C ATOM 0 H1 MET A 1 -12.554 -6.545 4.394 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.018 -5.094 3.646 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.376 -5.409 3.941 1.00 0.00 H new ATOM 0 HA MET A 1 -13.503 -4.650 5.780 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.064 -5.391 7.669 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.575 -6.755 6.694 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.361 -6.589 5.432 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.859 -5.359 6.575 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.307 -9.828 7.163 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.858 -8.962 7.264 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.849 -8.815 5.805 1.00 0.00 H new ATOM 18 N GLN A 2 -11.519 -3.063 6.863 1.00 0.00 N ATOM 19 CA GLN A 2 -10.770 -1.834 7.062 1.00 0.00 C ATOM 20 C GLN A 2 -9.308 -2.149 7.386 1.00 0.00 C ATOM 21 O GLN A 2 -9.010 -3.184 7.981 1.00 0.00 O ATOM 22 CB GLN A 2 -11.403 -0.978 8.159 1.00 0.00 C ATOM 23 CG GLN A 2 -10.570 0.277 8.426 1.00 0.00 C ATOM 24 CD GLN A 2 -11.257 1.184 9.449 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.119 1.024 10.650 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.001 2.144 8.907 1.00 0.00 N ATOM 0 H GLN A 2 -11.928 -3.455 7.711 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.800 -1.259 6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.413 -0.692 7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.491 -1.562 9.075 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.584 -0.008 8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.419 0.823 7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.073 2.222 7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.499 2.803 9.506 1.00 0.00 H new ATOM 35 N ILE A 3 -8.436 -1.238 6.982 1.00 0.00 N ATOM 36 CA ILE A 3 -7.013 -1.406 7.223 1.00 0.00 C ATOM 37 C ILE A 3 -6.384 -0.040 7.505 1.00 0.00 C ATOM 38 O ILE A 3 -7.001 0.995 7.260 1.00 0.00 O ATOM 39 CB ILE A 3 -6.358 -2.157 6.061 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.490 -1.369 4.756 1.00 0.00 C ATOM 41 CG2 ILE A 3 -6.923 -3.573 5.935 1.00 0.00 C ATOM 42 CD1 ILE A 3 -5.410 -0.291 4.655 1.00 0.00 C ATOM 0 H ILE A 3 -8.687 -0.381 6.489 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.846 -2.023 8.106 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.293 -2.253 6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.411 -2.048 3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.476 -0.907 4.704 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.441 -4.084 5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.735 -4.123 6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.997 -3.522 5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.527 0.254 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.507 0.401 5.492 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.426 -0.758 4.683 1.00 0.00 H new ATOM 54 N PHE A 4 -5.162 -0.082 8.015 1.00 0.00 N ATOM 55 CA PHE A 4 -4.442 1.140 8.334 1.00 0.00 C ATOM 56 C PHE A 4 -3.158 1.251 7.508 1.00 0.00 C ATOM 57 O PHE A 4 -2.176 0.564 7.784 1.00 0.00 O ATOM 58 CB PHE A 4 -4.074 1.068 9.817 1.00 0.00 C ATOM 59 CG PHE A 4 -5.212 1.468 10.760 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.432 0.879 10.641 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.004 2.413 11.715 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.487 1.249 11.516 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.059 2.783 12.590 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.279 2.194 12.472 1.00 0.00 C ATOM 0 H PHE A 4 -4.652 -0.942 8.215 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.063 2.007 8.110 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.759 0.052 10.054 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.218 1.718 10.001 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.598 0.130 9.881 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.036 2.882 11.808 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.455 0.780 11.423 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.893 3.532 13.350 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.082 2.476 13.137 1.00 0.00 H new ATOM 74 N VAL A 5 -3.208 2.121 6.511 1.00 0.00 N ATOM 75 CA VAL A 5 -2.062 2.331 5.642 1.00 0.00 C ATOM 76 C VAL A 5 -1.230 3.498 6.177 1.00 0.00 C ATOM 77 O VAL A 5 -1.773 4.442 6.748 1.00 0.00 O ATOM 78 CB VAL A 5 -2.530 2.542 4.201 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.816 4.020 3.928 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.506 1.989 3.207 1.00 0.00 C ATOM 0 H VAL A 5 -4.024 2.689 6.285 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.421 1.450 5.635 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.461 1.991 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.147 4.142 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.596 4.370 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.909 4.602 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.862 2.151 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.553 2.500 3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.372 0.921 3.379 1.00 0.00 H new ATOM 90 N LYS A 6 0.075 3.393 5.975 1.00 0.00 N ATOM 91 CA LYS A 6 0.989 4.428 6.430 1.00 0.00 C ATOM 92 C LYS A 6 1.499 5.219 5.223 1.00 0.00 C ATOM 93 O LYS A 6 1.705 4.655 4.149 1.00 0.00 O ATOM 94 CB LYS A 6 2.104 3.821 7.283 1.00 0.00 C ATOM 95 CG LYS A 6 2.075 4.386 8.705 1.00 0.00 C ATOM 96 CD LYS A 6 2.465 3.318 9.728 1.00 0.00 C ATOM 97 CE LYS A 6 3.680 3.761 10.546 1.00 0.00 C ATOM 98 NZ LYS A 6 3.544 3.324 11.953 1.00 0.00 N ATOM 0 H LYS A 6 0.522 2.607 5.502 1.00 0.00 H new ATOM 0 HA LYS A 6 0.472 5.134 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.993 2.737 7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.071 4.028 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.759 5.231 8.778 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.077 4.763 8.930 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.625 3.123 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.689 2.382 9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.589 3.341 10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.779 4.846 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.377 3.633 12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.687 3.745 12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.472 2.287 11.989 1.00 0.00 H new ATOM 112 N THR A 7 1.688 6.513 5.440 1.00 0.00 N ATOM 113 CA THR A 7 2.171 7.385 4.384 1.00 0.00 C ATOM 114 C THR A 7 3.671 7.637 4.544 1.00 0.00 C ATOM 115 O THR A 7 4.236 7.389 5.608 1.00 0.00 O ATOM 116 CB THR A 7 1.334 8.666 4.409 1.00 0.00 C ATOM 117 OG1 THR A 7 0.025 8.219 4.753 1.00 0.00 O ATOM 118 CG2 THR A 7 1.164 9.283 3.020 1.00 0.00 C ATOM 0 H THR A 7 1.515 6.978 6.331 1.00 0.00 H new ATOM 0 HA THR A 7 2.054 6.921 3.404 1.00 0.00 H new ATOM 0 HB THR A 7 1.803 9.392 5.073 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.583 8.987 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.562 10.189 3.095 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.143 9.531 2.610 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.665 8.570 2.364 1.00 0.00 H new ATOM 126 N LEU A 8 4.275 8.125 3.470 1.00 0.00 N ATOM 127 CA LEU A 8 5.699 8.413 3.478 1.00 0.00 C ATOM 128 C LEU A 8 6.020 9.346 4.647 1.00 0.00 C ATOM 129 O LEU A 8 7.163 9.413 5.097 1.00 0.00 O ATOM 130 CB LEU A 8 6.144 8.955 2.118 1.00 0.00 C ATOM 131 CG LEU A 8 5.692 10.378 1.784 1.00 0.00 C ATOM 132 CD1 LEU A 8 4.166 10.487 1.799 1.00 0.00 C ATOM 133 CD2 LEU A 8 6.348 11.397 2.718 1.00 0.00 C ATOM 0 H LEU A 8 3.804 8.328 2.588 1.00 0.00 H new ATOM 0 HA LEU A 8 6.271 7.499 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.233 8.921 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.772 8.285 1.343 1.00 0.00 H new ATOM 0 HG LEU A 8 6.022 10.611 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.872 11.509 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.745 9.805 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.792 10.225 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.009 12.400 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.071 11.176 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.432 11.342 2.613 1.00 0.00 H new ATOM 145 N THR A 9 4.992 10.044 5.105 1.00 0.00 N ATOM 146 CA THR A 9 5.150 10.969 6.215 1.00 0.00 C ATOM 147 C THR A 9 4.673 10.327 7.518 1.00 0.00 C ATOM 148 O THR A 9 4.040 10.986 8.344 1.00 0.00 O ATOM 149 CB THR A 9 4.404 12.259 5.863 1.00 0.00 C ATOM 150 OG1 THR A 9 4.533 13.064 7.031 1.00 0.00 O ATOM 151 CG2 THR A 9 2.896 12.043 5.724 1.00 0.00 C ATOM 0 H THR A 9 4.046 9.988 4.728 1.00 0.00 H new ATOM 0 HA THR A 9 6.199 11.216 6.378 1.00 0.00 H new ATOM 0 HB THR A 9 4.800 12.665 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.059 12.638 7.776 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.415 12.988 5.474 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.704 11.318 4.933 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.494 11.669 6.665 1.00 0.00 H new ATOM 159 N GLY A 10 4.993 9.050 7.663 1.00 0.00 N ATOM 160 CA GLY A 10 4.605 8.312 8.853 1.00 0.00 C ATOM 161 C GLY A 10 3.193 8.694 9.299 1.00 0.00 C ATOM 162 O GLY A 10 2.871 8.619 10.484 1.00 0.00 O ATOM 0 H GLY A 10 5.517 8.507 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.650 7.242 8.652 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.312 8.515 9.658 1.00 0.00 H new ATOM 166 N LYS A 11 2.387 9.096 8.327 1.00 0.00 N ATOM 167 CA LYS A 11 1.017 9.490 8.605 1.00 0.00 C ATOM 168 C LYS A 11 0.131 8.243 8.648 1.00 0.00 C ATOM 169 O LYS A 11 0.402 7.260 7.960 1.00 0.00 O ATOM 170 CB LYS A 11 0.548 10.543 7.598 1.00 0.00 C ATOM 171 CG LYS A 11 -0.917 10.915 7.837 1.00 0.00 C ATOM 172 CD LYS A 11 -1.163 12.395 7.536 1.00 0.00 C ATOM 173 CE LYS A 11 -1.936 12.568 6.228 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.061 13.512 6.411 1.00 0.00 N ATOM 0 H LYS A 11 2.657 9.157 7.345 1.00 0.00 H new ATOM 0 HA LYS A 11 0.948 9.965 9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.171 11.433 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.670 10.162 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.560 10.300 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.186 10.701 8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.721 12.848 8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.210 12.920 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.268 12.936 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.315 11.603 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.575 13.618 5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.707 13.145 7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.693 14.437 6.710 1.00 0.00 H new ATOM 188 N THR A 12 -0.910 8.325 9.463 1.00 0.00 N ATOM 189 CA THR A 12 -1.837 7.215 9.606 1.00 0.00 C ATOM 190 C THR A 12 -3.105 7.472 8.789 1.00 0.00 C ATOM 191 O THR A 12 -3.869 8.387 9.094 1.00 0.00 O ATOM 192 CB THR A 12 -2.106 7.012 11.097 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.842 6.622 11.628 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.012 5.809 11.371 1.00 0.00 C ATOM 0 H THR A 12 -1.132 9.143 10.031 1.00 0.00 H new ATOM 0 HA THR A 12 -1.413 6.292 9.210 1.00 0.00 H new ATOM 0 HB THR A 12 -2.563 7.912 11.509 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.925 6.471 12.593 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.171 5.710 12.445 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.971 5.955 10.874 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.540 4.904 10.989 1.00 0.00 H new ATOM 202 N ILE A 13 -3.290 6.648 7.768 1.00 0.00 N ATOM 203 CA ILE A 13 -4.453 6.774 6.905 1.00 0.00 C ATOM 204 C ILE A 13 -5.206 5.443 6.873 1.00 0.00 C ATOM 205 O ILE A 13 -4.670 4.434 6.415 1.00 0.00 O ATOM 206 CB ILE A 13 -4.042 7.283 5.523 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.636 8.757 5.579 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.146 7.031 4.495 1.00 0.00 C ATOM 209 CD1 ILE A 13 -4.803 9.630 6.046 1.00 0.00 C ATOM 0 H ILE A 13 -2.654 5.890 7.519 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.142 7.520 7.301 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.166 6.721 5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.791 8.880 6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.304 9.084 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.828 7.403 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.344 5.961 4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.054 7.549 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.488 10.673 6.077 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.637 9.524 5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.117 9.316 7.042 1.00 0.00 H new ATOM 221 N THR A 14 -6.436 5.483 7.362 1.00 0.00 N ATOM 222 CA THR A 14 -7.267 4.291 7.394 1.00 0.00 C ATOM 223 C THR A 14 -8.198 4.257 6.180 1.00 0.00 C ATOM 224 O THR A 14 -8.616 5.303 5.685 1.00 0.00 O ATOM 225 CB THR A 14 -8.012 4.270 8.731 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.977 4.374 9.706 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.660 2.914 9.019 1.00 0.00 C ATOM 0 H THR A 14 -6.878 6.321 7.739 1.00 0.00 H new ATOM 0 HA THR A 14 -6.663 3.386 7.327 1.00 0.00 H new ATOM 0 HB THR A 14 -8.778 5.046 8.732 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.115 3.698 10.402 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.175 2.953 9.979 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.376 2.679 8.232 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.891 2.143 9.052 1.00 0.00 H new ATOM 235 N LEU A 15 -8.495 3.045 5.736 1.00 0.00 N ATOM 236 CA LEU A 15 -9.369 2.861 4.590 1.00 0.00 C ATOM 237 C LEU A 15 -10.331 1.705 4.867 1.00 0.00 C ATOM 238 O LEU A 15 -9.907 0.625 5.274 1.00 0.00 O ATOM 239 CB LEU A 15 -8.546 2.684 3.312 1.00 0.00 C ATOM 240 CG LEU A 15 -9.146 3.282 2.038 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.573 2.776 1.815 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.079 4.810 2.066 1.00 0.00 C ATOM 0 H LEU A 15 -8.146 2.180 6.149 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.978 3.750 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.564 3.130 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.389 1.618 3.150 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.549 2.948 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.977 3.216 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.563 1.690 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.197 3.061 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.512 5.210 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.638 5.183 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.039 5.127 2.145 1.00 0.00 H new ATOM 254 N GLU A 16 -11.608 1.971 4.636 1.00 0.00 N ATOM 255 CA GLU A 16 -12.634 0.966 4.856 1.00 0.00 C ATOM 256 C GLU A 16 -13.017 0.301 3.533 1.00 0.00 C ATOM 257 O GLU A 16 -13.721 0.894 2.716 1.00 0.00 O ATOM 258 CB GLU A 16 -13.860 1.574 5.539 1.00 0.00 C ATOM 259 CG GLU A 16 -14.204 2.937 4.935 1.00 0.00 C ATOM 260 CD GLU A 16 -15.663 3.308 5.213 1.00 0.00 C ATOM 261 OE1 GLU A 16 -15.916 3.822 6.325 1.00 0.00 O ATOM 262 OE2 GLU A 16 -16.491 3.068 4.309 1.00 0.00 O ATOM 0 H GLU A 16 -11.956 2.869 4.298 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.230 0.202 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.711 0.901 5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.669 1.683 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.546 3.700 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.029 2.917 3.859 1.00 0.00 H new ATOM 269 N VAL A 17 -12.539 -0.923 3.361 1.00 0.00 N ATOM 270 CA VAL A 17 -12.823 -1.675 2.151 1.00 0.00 C ATOM 271 C VAL A 17 -13.317 -3.073 2.529 1.00 0.00 C ATOM 272 O VAL A 17 -13.452 -3.389 3.710 1.00 0.00 O ATOM 273 CB VAL A 17 -11.586 -1.702 1.249 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.176 -0.287 0.839 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.427 -2.433 1.930 1.00 0.00 C ATOM 0 H VAL A 17 -11.956 -1.413 4.040 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.616 -1.193 1.579 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.843 -2.252 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.295 -0.335 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.994 0.186 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.946 0.298 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.561 -2.438 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.171 -1.923 2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.722 -3.459 2.149 1.00 0.00 H new ATOM 285 N GLU A 18 -13.574 -3.872 1.504 1.00 0.00 N ATOM 286 CA GLU A 18 -14.051 -5.228 1.714 1.00 0.00 C ATOM 287 C GLU A 18 -12.944 -6.236 1.395 1.00 0.00 C ATOM 288 O GLU A 18 -11.999 -5.917 0.675 1.00 0.00 O ATOM 289 CB GLU A 18 -15.301 -5.506 0.878 1.00 0.00 C ATOM 290 CG GLU A 18 -16.569 -5.357 1.721 1.00 0.00 C ATOM 291 CD GLU A 18 -17.408 -6.636 1.681 1.00 0.00 C ATOM 292 OE1 GLU A 18 -18.171 -6.783 0.703 1.00 0.00 O ATOM 293 OE2 GLU A 18 -17.266 -7.436 2.630 1.00 0.00 O ATOM 0 H GLU A 18 -13.461 -3.606 0.526 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.324 -5.337 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.339 -4.818 0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.250 -6.514 0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.300 -5.127 2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.159 -4.519 1.351 1.00 0.00 H new ATOM 300 N PRO A 19 -13.102 -7.462 1.961 1.00 0.00 N ATOM 301 CA PRO A 19 -12.127 -8.517 1.745 1.00 0.00 C ATOM 302 C PRO A 19 -12.263 -9.110 0.341 1.00 0.00 C ATOM 303 O PRO A 19 -11.376 -9.823 -0.126 1.00 0.00 O ATOM 304 CB PRO A 19 -12.395 -9.531 2.846 1.00 0.00 C ATOM 305 CG PRO A 19 -13.797 -9.237 3.351 1.00 0.00 C ATOM 306 CD PRO A 19 -14.209 -7.874 2.819 1.00 0.00 C ATOM 0 HA PRO A 19 -11.099 -8.157 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.323 -10.550 2.465 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.663 -9.438 3.649 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.493 -10.005 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.819 -9.244 4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.143 -7.933 2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.367 -7.163 3.630 1.00 0.00 H new ATOM 314 N SER A 20 -13.382 -8.793 -0.295 1.00 0.00 N ATOM 315 CA SER A 20 -13.646 -9.285 -1.637 1.00 0.00 C ATOM 316 C SER A 20 -13.079 -8.312 -2.672 1.00 0.00 C ATOM 317 O SER A 20 -12.773 -8.705 -3.796 1.00 0.00 O ATOM 318 CB SER A 20 -15.145 -9.488 -1.863 1.00 0.00 C ATOM 319 OG SER A 20 -15.417 -10.677 -2.601 1.00 0.00 O ATOM 0 H SER A 20 -14.116 -8.201 0.094 1.00 0.00 H new ATOM 0 HA SER A 20 -13.155 -10.251 -1.750 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.654 -9.534 -0.900 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.551 -8.629 -2.397 1.00 0.00 H new ATOM 0 HG SER A 20 -16.385 -10.772 -2.723 1.00 0.00 H new ATOM 325 N ASP A 21 -12.956 -7.060 -2.255 1.00 0.00 N ATOM 326 CA ASP A 21 -12.432 -6.027 -3.133 1.00 0.00 C ATOM 327 C ASP A 21 -10.963 -6.325 -3.441 1.00 0.00 C ATOM 328 O ASP A 21 -10.231 -6.814 -2.583 1.00 0.00 O ATOM 329 CB ASP A 21 -12.507 -4.650 -2.469 1.00 0.00 C ATOM 330 CG ASP A 21 -13.835 -4.337 -1.778 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.816 -5.048 -2.086 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.840 -3.393 -0.958 1.00 0.00 O ATOM 0 H ASP A 21 -13.210 -6.738 -1.321 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.031 -6.021 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.706 -4.573 -1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.320 -3.888 -3.225 1.00 0.00 H new ATOM 337 N THR A 22 -10.576 -6.015 -4.670 1.00 0.00 N ATOM 338 CA THR A 22 -9.207 -6.243 -5.102 1.00 0.00 C ATOM 339 C THR A 22 -8.321 -5.058 -4.714 1.00 0.00 C ATOM 340 O THR A 22 -8.815 -4.040 -4.232 1.00 0.00 O ATOM 341 CB THR A 22 -9.227 -6.519 -6.608 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.477 -5.243 -7.192 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.429 -7.365 -7.031 1.00 0.00 C ATOM 0 H THR A 22 -11.186 -5.608 -5.380 1.00 0.00 H new ATOM 0 HA THR A 22 -8.774 -7.110 -4.603 1.00 0.00 H new ATOM 0 HB THR A 22 -8.306 -7.026 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.504 -5.330 -8.168 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.396 -7.532 -8.108 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.399 -8.324 -6.514 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.350 -6.843 -6.773 1.00 0.00 H new ATOM 351 N ILE A 23 -7.026 -5.229 -4.939 1.00 0.00 N ATOM 352 CA ILE A 23 -6.067 -4.187 -4.617 1.00 0.00 C ATOM 353 C ILE A 23 -6.361 -2.949 -5.469 1.00 0.00 C ATOM 354 O ILE A 23 -6.158 -1.822 -5.021 1.00 0.00 O ATOM 355 CB ILE A 23 -4.637 -4.710 -4.768 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.293 -5.695 -3.650 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.635 -3.556 -4.843 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.281 -4.997 -2.289 1.00 0.00 C ATOM 0 H ILE A 23 -6.619 -6.074 -5.340 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.165 -3.888 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.571 -5.255 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.020 -6.507 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.318 -6.142 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.627 -3.956 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.869 -2.926 -5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.695 -2.962 -3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.034 -5.720 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.536 -4.201 -2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.265 -4.572 -2.089 1.00 0.00 H new ATOM 370 N GLU A 24 -6.835 -3.202 -6.679 1.00 0.00 N ATOM 371 CA GLU A 24 -7.160 -2.123 -7.596 1.00 0.00 C ATOM 372 C GLU A 24 -8.345 -1.313 -7.066 1.00 0.00 C ATOM 373 O GLU A 24 -8.379 -0.092 -7.204 1.00 0.00 O ATOM 374 CB GLU A 24 -7.449 -2.663 -8.999 1.00 0.00 C ATOM 375 CG GLU A 24 -7.160 -1.604 -10.064 1.00 0.00 C ATOM 376 CD GLU A 24 -6.528 -2.235 -11.307 1.00 0.00 C ATOM 377 OE1 GLU A 24 -6.884 -3.398 -11.597 1.00 0.00 O ATOM 378 OE2 GLU A 24 -5.703 -1.541 -11.938 1.00 0.00 O ATOM 0 H GLU A 24 -7.002 -4.139 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.296 -1.462 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.839 -3.547 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.491 -2.975 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.085 -1.098 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.491 -0.846 -9.656 1.00 0.00 H new ATOM 385 N ASN A 25 -9.288 -2.028 -6.469 1.00 0.00 N ATOM 386 CA ASN A 25 -10.472 -1.392 -5.917 1.00 0.00 C ATOM 387 C ASN A 25 -10.073 -0.546 -4.706 1.00 0.00 C ATOM 388 O ASN A 25 -10.543 0.580 -4.549 1.00 0.00 O ATOM 389 CB ASN A 25 -11.491 -2.433 -5.452 1.00 0.00 C ATOM 390 CG ASN A 25 -12.816 -2.277 -6.201 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.022 -1.348 -6.964 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.700 -3.236 -5.940 1.00 0.00 N ATOM 0 H ASN A 25 -9.256 -3.041 -6.356 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.918 -0.775 -6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.093 -3.435 -5.615 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.660 -2.328 -4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.615 -3.222 -6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.462 -3.985 -5.290 1.00 0.00 H new ATOM 399 N VAL A 26 -9.211 -1.121 -3.881 1.00 0.00 N ATOM 400 CA VAL A 26 -8.743 -0.434 -2.689 1.00 0.00 C ATOM 401 C VAL A 26 -7.954 0.810 -3.099 1.00 0.00 C ATOM 402 O VAL A 26 -8.170 1.894 -2.558 1.00 0.00 O ATOM 403 CB VAL A 26 -7.934 -1.394 -1.815 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.555 -0.739 -0.486 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.696 -2.701 -1.585 1.00 0.00 C ATOM 0 H VAL A 26 -8.824 -2.055 -4.014 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.587 -0.099 -2.086 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.012 -1.633 -2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.981 -1.443 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.954 0.150 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.460 -0.456 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.099 -3.365 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.642 -2.488 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.891 -3.182 -2.544 1.00 0.00 H new ATOM 415 N LYS A 27 -7.055 0.614 -4.053 1.00 0.00 N ATOM 416 CA LYS A 27 -6.231 1.707 -4.541 1.00 0.00 C ATOM 417 C LYS A 27 -7.135 2.818 -5.080 1.00 0.00 C ATOM 418 O LYS A 27 -6.934 3.991 -4.768 1.00 0.00 O ATOM 419 CB LYS A 27 -5.212 1.195 -5.561 1.00 0.00 C ATOM 420 CG LYS A 27 -3.795 1.230 -4.985 1.00 0.00 C ATOM 421 CD LYS A 27 -2.823 0.449 -5.872 1.00 0.00 C ATOM 422 CE LYS A 27 -1.781 -0.287 -5.028 1.00 0.00 C ATOM 423 NZ LYS A 27 -0.574 -0.579 -5.833 1.00 0.00 N ATOM 0 H LYS A 27 -6.879 -0.285 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.646 2.136 -3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.465 0.176 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.257 1.805 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.461 2.264 -4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.796 0.807 -3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.375 -0.267 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.323 1.132 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.511 0.319 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.204 -1.216 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.117 -1.441 -5.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.845 -0.720 -6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.090 0.219 -5.765 1.00 0.00 H new ATOM 437 N ALA A 28 -8.110 2.410 -5.878 1.00 0.00 N ATOM 438 CA ALA A 28 -9.045 3.357 -6.462 1.00 0.00 C ATOM 439 C ALA A 28 -9.744 4.133 -5.344 1.00 0.00 C ATOM 440 O ALA A 28 -9.983 5.333 -5.472 1.00 0.00 O ATOM 441 CB ALA A 28 -10.032 2.611 -7.361 1.00 0.00 C ATOM 0 H ALA A 28 -8.273 1.436 -6.134 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.520 4.081 -7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.733 3.321 -7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.487 2.102 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.580 1.878 -6.770 1.00 0.00 H new ATOM 447 N LYS A 29 -10.052 3.416 -4.274 1.00 0.00 N ATOM 448 CA LYS A 29 -10.719 4.022 -3.134 1.00 0.00 C ATOM 449 C LYS A 29 -9.790 5.057 -2.496 1.00 0.00 C ATOM 450 O LYS A 29 -10.215 6.169 -2.183 1.00 0.00 O ATOM 451 CB LYS A 29 -11.200 2.945 -2.160 1.00 0.00 C ATOM 452 CG LYS A 29 -12.728 2.924 -2.076 1.00 0.00 C ATOM 453 CD LYS A 29 -13.211 1.817 -1.137 1.00 0.00 C ATOM 454 CE LYS A 29 -14.311 2.331 -0.206 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.642 2.160 -0.833 1.00 0.00 N ATOM 0 H LYS A 29 -9.852 2.421 -4.172 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.616 4.552 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.837 1.969 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.780 3.130 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.089 3.889 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.148 2.771 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.587 0.977 -1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.374 1.445 -0.546 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.276 1.792 0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.142 3.384 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.377 2.514 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.677 2.694 -1.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.807 1.152 -1.027 1.00 0.00 H new ATOM 469 N ILE A 30 -8.540 4.656 -2.322 1.00 0.00 N ATOM 470 CA ILE A 30 -7.547 5.534 -1.727 1.00 0.00 C ATOM 471 C ILE A 30 -7.354 6.759 -2.624 1.00 0.00 C ATOM 472 O ILE A 30 -7.089 7.856 -2.135 1.00 0.00 O ATOM 473 CB ILE A 30 -6.253 4.768 -1.445 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.519 3.555 -0.551 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.186 5.693 -0.855 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.366 2.552 -0.633 1.00 0.00 C ATOM 0 H ILE A 30 -8.191 3.734 -2.583 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.891 5.898 -0.759 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.865 4.392 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.650 3.881 0.481 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.448 3.072 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.276 5.124 -0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.970 6.496 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.550 6.119 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.579 1.699 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.253 2.210 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.443 3.031 -0.307 1.00 0.00 H new ATOM 488 N GLN A 31 -7.492 6.530 -3.922 1.00 0.00 N ATOM 489 CA GLN A 31 -7.337 7.601 -4.892 1.00 0.00 C ATOM 490 C GLN A 31 -8.442 8.644 -4.714 1.00 0.00 C ATOM 491 O GLN A 31 -8.165 9.796 -4.381 1.00 0.00 O ATOM 492 CB GLN A 31 -7.326 7.051 -6.319 1.00 0.00 C ATOM 493 CG GLN A 31 -7.052 8.163 -7.333 1.00 0.00 C ATOM 494 CD GLN A 31 -7.092 7.622 -8.765 1.00 0.00 C ATOM 495 OE1 GLN A 31 -7.539 6.518 -9.026 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.601 8.460 -9.672 1.00 0.00 N ATOM 0 H GLN A 31 -7.709 5.618 -4.325 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.377 8.086 -4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.564 6.277 -6.408 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.285 6.581 -6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.792 8.955 -7.219 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.077 8.608 -7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.242 9.370 -9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.583 8.193 -10.656 1.00 0.00 H new ATOM 505 N ASP A 32 -9.670 8.203 -4.942 1.00 0.00 N ATOM 506 CA ASP A 32 -10.818 9.083 -4.812 1.00 0.00 C ATOM 507 C ASP A 32 -10.757 9.796 -3.459 1.00 0.00 C ATOM 508 O ASP A 32 -11.238 10.920 -3.324 1.00 0.00 O ATOM 509 CB ASP A 32 -12.127 8.294 -4.870 1.00 0.00 C ATOM 510 CG ASP A 32 -13.188 8.870 -5.811 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.232 10.114 -5.922 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.930 8.053 -6.398 1.00 0.00 O ATOM 0 H ASP A 32 -9.895 7.247 -5.216 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.790 9.797 -5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.905 7.273 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.545 8.239 -3.865 1.00 0.00 H new ATOM 517 N LYS A 33 -10.160 9.114 -2.493 1.00 0.00 N ATOM 518 CA LYS A 33 -10.030 9.668 -1.156 1.00 0.00 C ATOM 519 C LYS A 33 -8.942 10.744 -1.159 1.00 0.00 C ATOM 520 O LYS A 33 -9.243 11.936 -1.163 1.00 0.00 O ATOM 521 CB LYS A 33 -9.791 8.555 -0.135 1.00 0.00 C ATOM 522 CG LYS A 33 -10.990 8.406 0.805 1.00 0.00 C ATOM 523 CD LYS A 33 -11.856 7.210 0.406 1.00 0.00 C ATOM 524 CE LYS A 33 -13.341 7.579 0.423 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.953 7.326 -0.902 1.00 0.00 N ATOM 0 H LYS A 33 -9.761 8.183 -2.609 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.958 10.152 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.612 7.613 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.895 8.775 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.640 8.280 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.589 9.316 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.574 6.868 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.676 6.381 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.858 6.997 1.186 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.458 8.629 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.961 7.582 -0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.470 7.900 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.858 6.318 -1.142 1.00 0.00 H new ATOM 539 N GLU A 34 -7.700 10.283 -1.155 1.00 0.00 N ATOM 540 CA GLU A 34 -6.565 11.190 -1.158 1.00 0.00 C ATOM 541 C GLU A 34 -6.346 11.764 -2.560 1.00 0.00 C ATOM 542 O GLU A 34 -6.394 12.977 -2.752 1.00 0.00 O ATOM 543 CB GLU A 34 -5.302 10.492 -0.647 1.00 0.00 C ATOM 544 CG GLU A 34 -5.274 10.459 0.881 1.00 0.00 C ATOM 545 CD GLU A 34 -5.273 11.875 1.460 1.00 0.00 C ATOM 546 OE1 GLU A 34 -4.280 12.590 1.209 1.00 0.00 O ATOM 547 OE2 GLU A 34 -6.267 12.210 2.141 1.00 0.00 O ATOM 0 H GLU A 34 -7.455 9.293 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.784 12.015 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.261 9.475 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.419 11.012 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.140 9.911 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.388 9.923 1.221 1.00 0.00 H new ATOM 554 N GLY A 35 -6.111 10.863 -3.502 1.00 0.00 N ATOM 555 CA GLY A 35 -5.884 11.264 -4.881 1.00 0.00 C ATOM 556 C GLY A 35 -4.533 10.754 -5.385 1.00 0.00 C ATOM 557 O GLY A 35 -3.909 11.381 -6.238 1.00 0.00 O ATOM 0 H GLY A 35 -6.073 9.857 -3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.682 10.875 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.918 12.351 -4.958 1.00 0.00 H new ATOM 561 N ILE A 36 -4.123 9.620 -4.835 1.00 0.00 N ATOM 562 CA ILE A 36 -2.856 9.018 -5.219 1.00 0.00 C ATOM 563 C ILE A 36 -3.084 8.071 -6.399 1.00 0.00 C ATOM 564 O ILE A 36 -4.097 7.374 -6.455 1.00 0.00 O ATOM 565 CB ILE A 36 -2.194 8.349 -4.014 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.942 9.362 -2.895 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.913 7.621 -4.425 1.00 0.00 C ATOM 568 CD1 ILE A 36 -0.769 10.282 -3.241 1.00 0.00 C ATOM 0 H ILE A 36 -4.645 9.103 -4.127 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.156 9.784 -5.554 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.880 7.598 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.840 9.958 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.733 8.836 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.463 7.154 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.151 6.855 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.211 8.335 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.612 10.992 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.132 9.685 -3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.991 10.825 -4.160 1.00 0.00 H new ATOM 580 N PRO A 37 -2.101 8.077 -7.338 1.00 0.00 N ATOM 581 CA PRO A 37 -2.184 7.226 -8.514 1.00 0.00 C ATOM 582 C PRO A 37 -1.885 5.769 -8.160 1.00 0.00 C ATOM 583 O PRO A 37 -1.061 5.495 -7.287 1.00 0.00 O ATOM 584 CB PRO A 37 -1.186 7.816 -9.498 1.00 0.00 C ATOM 585 CG PRO A 37 -0.251 8.684 -8.671 1.00 0.00 C ATOM 586 CD PRO A 37 -0.888 8.889 -7.306 1.00 0.00 C ATOM 0 HA PRO A 37 -3.184 7.204 -8.947 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.635 7.030 -10.014 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.693 8.405 -10.262 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.723 8.206 -8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.086 9.643 -9.163 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.220 8.572 -6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.119 9.940 -7.131 1.00 0.00 H new ATOM 594 N PRO A 38 -2.587 4.848 -8.872 1.00 0.00 N ATOM 595 CA PRO A 38 -2.405 3.425 -8.640 1.00 0.00 C ATOM 596 C PRO A 38 -1.087 2.936 -9.243 1.00 0.00 C ATOM 597 O PRO A 38 -0.484 1.989 -8.741 1.00 0.00 O ATOM 598 CB PRO A 38 -3.625 2.765 -9.264 1.00 0.00 C ATOM 599 CG PRO A 38 -4.208 3.791 -10.223 1.00 0.00 C ATOM 600 CD PRO A 38 -3.571 5.135 -9.911 1.00 0.00 C ATOM 0 HA PRO A 38 -2.333 3.177 -7.581 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.349 1.851 -9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.352 2.486 -8.501 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.009 3.505 -11.256 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.291 3.846 -10.111 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.099 5.564 -10.795 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.314 5.854 -9.565 1.00 0.00 H new ATOM 608 N ASP A 39 -0.679 3.603 -10.313 1.00 0.00 N ATOM 609 CA ASP A 39 0.556 3.249 -10.990 1.00 0.00 C ATOM 610 C ASP A 39 1.744 3.576 -10.082 1.00 0.00 C ATOM 611 O ASP A 39 2.750 2.869 -10.089 1.00 0.00 O ATOM 612 CB ASP A 39 0.721 4.042 -12.287 1.00 0.00 C ATOM 613 CG ASP A 39 0.134 3.375 -13.533 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.461 2.287 -13.366 1.00 0.00 O ATOM 615 OD2 ASP A 39 0.291 3.967 -14.622 1.00 0.00 O ATOM 0 H ASP A 39 -1.183 4.387 -10.728 1.00 0.00 H new ATOM 0 HA ASP A 39 0.519 2.184 -11.220 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.252 5.018 -12.161 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.784 4.219 -12.454 1.00 0.00 H new ATOM 620 N GLN A 40 1.586 4.649 -9.320 1.00 0.00 N ATOM 621 CA GLN A 40 2.632 5.080 -8.408 1.00 0.00 C ATOM 622 C GLN A 40 2.328 4.600 -6.988 1.00 0.00 C ATOM 623 O GLN A 40 2.933 5.071 -6.026 1.00 0.00 O ATOM 624 CB GLN A 40 2.804 6.600 -8.448 1.00 0.00 C ATOM 625 CG GLN A 40 4.281 6.981 -8.562 1.00 0.00 C ATOM 626 CD GLN A 40 4.488 8.068 -9.619 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.144 9.224 -9.434 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.065 7.633 -10.735 1.00 0.00 N ATOM 0 H GLN A 40 0.749 5.232 -9.316 1.00 0.00 H new ATOM 0 HA GLN A 40 3.573 4.633 -8.729 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.253 7.010 -9.294 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.379 7.042 -7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.645 7.334 -7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.868 6.100 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.328 6.652 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.245 8.281 -11.502 1.00 0.00 H new ATOM 637 N GLN A 41 1.389 3.669 -6.900 1.00 0.00 N ATOM 638 CA GLN A 41 0.996 3.121 -5.612 1.00 0.00 C ATOM 639 C GLN A 41 1.811 1.864 -5.301 1.00 0.00 C ATOM 640 O GLN A 41 1.864 0.938 -6.109 1.00 0.00 O ATOM 641 CB GLN A 41 -0.504 2.825 -5.577 1.00 0.00 C ATOM 642 CG GLN A 41 -1.296 4.058 -5.139 1.00 0.00 C ATOM 643 CD GLN A 41 -1.849 3.880 -3.723 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.495 2.963 -3.001 1.00 0.00 O ATOM 645 NE2 GLN A 41 -2.735 4.807 -3.368 1.00 0.00 N ATOM 0 H GLN A 41 0.889 3.280 -7.699 1.00 0.00 H new ATOM 0 HA GLN A 41 1.203 3.865 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.838 2.505 -6.564 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.700 2.000 -4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.654 4.938 -5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.117 4.233 -5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.987 5.548 -4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.162 4.776 -2.442 1.00 0.00 H new ATOM 654 N ARG A 42 2.425 1.871 -4.127 1.00 0.00 N ATOM 655 CA ARG A 42 3.235 0.743 -3.699 1.00 0.00 C ATOM 656 C ARG A 42 2.900 0.367 -2.253 1.00 0.00 C ATOM 657 O ARG A 42 3.451 0.940 -1.316 1.00 0.00 O ATOM 658 CB ARG A 42 4.727 1.064 -3.802 1.00 0.00 C ATOM 659 CG ARG A 42 5.557 -0.216 -3.909 1.00 0.00 C ATOM 660 CD ARG A 42 7.024 0.105 -4.203 1.00 0.00 C ATOM 661 NE ARG A 42 7.906 -0.777 -3.406 1.00 0.00 N ATOM 662 CZ ARG A 42 9.230 -0.610 -3.290 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.834 0.407 -3.920 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.950 -1.459 -2.545 1.00 0.00 N ATOM 0 H ARG A 42 2.378 2.640 -3.459 1.00 0.00 H new ATOM 0 HA ARG A 42 3.010 -0.095 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.908 1.693 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.041 1.633 -2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.484 -0.780 -2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.154 -0.850 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.228 -0.028 -5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.231 1.149 -3.967 1.00 0.00 H new ATOM 0 HE ARG A 42 7.479 -1.562 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.286 1.053 -4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.842 0.535 -3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.490 -2.233 -2.066 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.958 -1.331 -2.457 1.00 0.00 H new ATOM 678 N LEU A 43 1.996 -0.593 -2.119 1.00 0.00 N ATOM 679 CA LEU A 43 1.581 -1.052 -0.806 1.00 0.00 C ATOM 680 C LEU A 43 2.364 -2.314 -0.438 1.00 0.00 C ATOM 681 O LEU A 43 2.276 -3.326 -1.132 1.00 0.00 O ATOM 682 CB LEU A 43 0.063 -1.234 -0.756 1.00 0.00 C ATOM 683 CG LEU A 43 -0.758 -0.262 -1.606 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.240 -0.643 -1.600 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.535 1.183 -1.156 1.00 0.00 C ATOM 0 H LEU A 43 1.540 -1.065 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 43 1.814 -0.301 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.172 -2.250 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.260 -1.141 0.281 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.412 -0.335 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.800 0.064 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.359 -1.648 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.618 -0.618 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.130 1.853 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.836 1.290 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.520 1.437 -1.257 1.00 0.00 H new ATOM 697 N ILE A 44 3.112 -2.213 0.650 1.00 0.00 N ATOM 698 CA ILE A 44 3.911 -3.333 1.116 1.00 0.00 C ATOM 699 C ILE A 44 3.188 -4.020 2.276 1.00 0.00 C ATOM 700 O ILE A 44 2.610 -3.355 3.134 1.00 0.00 O ATOM 701 CB ILE A 44 5.329 -2.874 1.461 1.00 0.00 C ATOM 702 CG1 ILE A 44 6.024 -2.273 0.237 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.140 -4.016 2.077 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.928 -1.106 0.638 1.00 0.00 C ATOM 0 H ILE A 44 3.182 -1.372 1.223 1.00 0.00 H new ATOM 0 HA ILE A 44 4.025 -4.075 0.325 1.00 0.00 H new ATOM 0 HB ILE A 44 5.260 -2.086 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.615 -3.040 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.276 -1.930 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.144 -3.663 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.652 -4.358 2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.203 -4.841 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.410 -0.697 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.330 -0.330 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.689 -1.458 1.334 1.00 0.00 H new ATOM 716 N PHE A 45 3.243 -5.344 2.265 1.00 0.00 N ATOM 717 CA PHE A 45 2.601 -6.129 3.305 1.00 0.00 C ATOM 718 C PHE A 45 3.323 -7.463 3.512 1.00 0.00 C ATOM 719 O PHE A 45 3.462 -8.248 2.574 1.00 0.00 O ATOM 720 CB PHE A 45 1.170 -6.403 2.840 1.00 0.00 C ATOM 721 CG PHE A 45 0.165 -6.573 3.982 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.072 -5.623 4.951 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.635 -7.671 4.027 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.860 -5.780 6.011 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.567 -7.828 5.086 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.660 -6.879 6.056 1.00 0.00 C ATOM 0 H PHE A 45 3.723 -5.893 1.552 1.00 0.00 H new ATOM 0 HA PHE A 45 2.625 -5.585 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.843 -5.582 2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.164 -7.305 2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.707 -4.750 4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.561 -8.424 3.257 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.934 -5.027 6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.202 -8.701 5.122 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.369 -6.998 6.862 1.00 0.00 H new ATOM 736 N ALA A 46 3.764 -7.677 4.742 1.00 0.00 N ATOM 737 CA ALA A 46 4.467 -8.902 5.083 1.00 0.00 C ATOM 738 C ALA A 46 5.700 -9.042 4.187 1.00 0.00 C ATOM 739 O ALA A 46 6.173 -10.151 3.947 1.00 0.00 O ATOM 740 CB ALA A 46 3.513 -10.092 4.952 1.00 0.00 C ATOM 0 H ALA A 46 3.648 -7.022 5.516 1.00 0.00 H new ATOM 0 HA ALA A 46 4.811 -8.873 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.040 -11.011 5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.669 -9.958 5.628 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.150 -10.156 3.926 1.00 0.00 H new ATOM 746 N GLY A 47 6.184 -7.901 3.718 1.00 0.00 N ATOM 747 CA GLY A 47 7.353 -7.883 2.855 1.00 0.00 C ATOM 748 C GLY A 47 6.958 -8.106 1.393 1.00 0.00 C ATOM 749 O GLY A 47 7.771 -7.914 0.490 1.00 0.00 O ATOM 0 H GLY A 47 5.788 -6.983 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.869 -6.928 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.053 -8.657 3.169 1.00 0.00 H new ATOM 753 N LYS A 48 5.710 -8.508 1.206 1.00 0.00 N ATOM 754 CA LYS A 48 5.197 -8.759 -0.131 1.00 0.00 C ATOM 755 C LYS A 48 4.306 -7.591 -0.558 1.00 0.00 C ATOM 756 O LYS A 48 3.420 -7.176 0.188 1.00 0.00 O ATOM 757 CB LYS A 48 4.500 -10.119 -0.191 1.00 0.00 C ATOM 758 CG LYS A 48 4.037 -10.436 -1.614 1.00 0.00 C ATOM 759 CD LYS A 48 4.910 -11.523 -2.245 1.00 0.00 C ATOM 760 CE LYS A 48 5.581 -11.013 -3.522 1.00 0.00 C ATOM 761 NZ LYS A 48 6.983 -11.483 -3.594 1.00 0.00 N ATOM 0 H LYS A 48 5.039 -8.666 1.957 1.00 0.00 H new ATOM 0 HA LYS A 48 6.015 -8.815 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.181 -10.896 0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.643 -10.123 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.997 -10.763 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.077 -9.533 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.671 -11.843 -1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.300 -12.397 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.029 -11.362 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.555 -9.924 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.424 -11.128 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.511 -11.129 -2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.001 -12.523 -3.595 1.00 0.00 H new ATOM 775 N GLN A 49 4.571 -7.095 -1.758 1.00 0.00 N ATOM 776 CA GLN A 49 3.804 -5.983 -2.294 1.00 0.00 C ATOM 777 C GLN A 49 2.476 -6.482 -2.869 1.00 0.00 C ATOM 778 O GLN A 49 2.426 -7.541 -3.494 1.00 0.00 O ATOM 779 CB GLN A 49 4.607 -5.221 -3.350 1.00 0.00 C ATOM 780 CG GLN A 49 4.970 -6.131 -4.524 1.00 0.00 C ATOM 781 CD GLN A 49 6.405 -6.646 -4.396 1.00 0.00 C ATOM 782 OE1 GLN A 49 7.317 -5.930 -4.016 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.553 -7.924 -4.734 1.00 0.00 N ATOM 0 H GLN A 49 5.306 -7.443 -2.374 1.00 0.00 H new ATOM 0 HA GLN A 49 3.588 -5.291 -1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.027 -4.371 -3.710 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.516 -4.820 -2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.280 -6.974 -4.562 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.858 -5.584 -5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.747 -8.466 -5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.473 -8.362 -4.683 1.00 0.00 H new ATOM 792 N LEU A 50 1.435 -5.697 -2.638 1.00 0.00 N ATOM 793 CA LEU A 50 0.111 -6.046 -3.125 1.00 0.00 C ATOM 794 C LEU A 50 0.048 -5.804 -4.633 1.00 0.00 C ATOM 795 O LEU A 50 0.225 -4.677 -5.093 1.00 0.00 O ATOM 796 CB LEU A 50 -0.964 -5.298 -2.336 1.00 0.00 C ATOM 797 CG LEU A 50 -0.702 -5.127 -0.838 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.877 -4.428 -0.151 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.371 -6.470 -0.183 1.00 0.00 C ATOM 0 H LEU A 50 1.481 -4.820 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.088 -7.105 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.088 -4.309 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.910 -5.824 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 50 0.170 -4.485 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.664 -4.319 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.024 -3.443 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.781 -5.023 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.189 -6.321 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.208 -7.156 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.520 -6.892 -0.648 1.00 0.00 H new ATOM 811 N GLU A 51 -0.206 -6.880 -5.363 1.00 0.00 N ATOM 812 CA GLU A 51 -0.295 -6.799 -6.811 1.00 0.00 C ATOM 813 C GLU A 51 -1.729 -6.483 -7.238 1.00 0.00 C ATOM 814 O GLU A 51 -2.637 -7.283 -7.018 1.00 0.00 O ATOM 815 CB GLU A 51 0.199 -8.090 -7.464 1.00 0.00 C ATOM 816 CG GLU A 51 1.573 -8.490 -6.922 1.00 0.00 C ATOM 817 CD GLU A 51 1.893 -9.948 -7.257 1.00 0.00 C ATOM 818 OE1 GLU A 51 2.407 -10.174 -8.373 1.00 0.00 O ATOM 819 OE2 GLU A 51 1.615 -10.804 -6.389 1.00 0.00 O ATOM 0 H GLU A 51 -0.353 -7.813 -4.978 1.00 0.00 H new ATOM 0 HA GLU A 51 0.351 -5.989 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.516 -8.892 -7.279 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.255 -7.956 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.338 -7.840 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.597 -8.348 -5.842 1.00 0.00 H new ATOM 826 N ASP A 52 -1.890 -5.313 -7.841 1.00 0.00 N ATOM 827 CA ASP A 52 -3.199 -4.881 -8.301 1.00 0.00 C ATOM 828 C ASP A 52 -3.873 -6.028 -9.056 1.00 0.00 C ATOM 829 O ASP A 52 -3.526 -6.311 -10.201 1.00 0.00 O ATOM 830 CB ASP A 52 -3.083 -3.691 -9.255 1.00 0.00 C ATOM 831 CG ASP A 52 -1.883 -3.737 -10.204 1.00 0.00 C ATOM 832 OD1 ASP A 52 -1.902 -4.610 -11.098 1.00 0.00 O ATOM 833 OD2 ASP A 52 -0.975 -2.900 -10.012 1.00 0.00 O ATOM 0 H ASP A 52 -1.135 -4.651 -8.021 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.783 -4.588 -7.429 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.995 -3.631 -9.849 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.026 -2.776 -8.665 1.00 0.00 H new ATOM 838 N GLY A 53 -4.827 -6.657 -8.383 1.00 0.00 N ATOM 839 CA GLY A 53 -5.553 -7.767 -8.977 1.00 0.00 C ATOM 840 C GLY A 53 -5.841 -8.852 -7.937 1.00 0.00 C ATOM 841 O GLY A 53 -6.655 -9.743 -8.174 1.00 0.00 O ATOM 0 H GLY A 53 -5.113 -6.419 -7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.490 -7.408 -9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.972 -8.189 -9.797 1.00 0.00 H new ATOM 845 N ARG A 54 -5.157 -8.741 -6.807 1.00 0.00 N ATOM 846 CA ARG A 54 -5.330 -9.701 -5.730 1.00 0.00 C ATOM 847 C ARG A 54 -6.321 -9.166 -4.695 1.00 0.00 C ATOM 848 O ARG A 54 -6.436 -7.955 -4.508 1.00 0.00 O ATOM 849 CB ARG A 54 -3.997 -10.003 -5.043 1.00 0.00 C ATOM 850 CG ARG A 54 -3.242 -11.115 -5.774 1.00 0.00 C ATOM 851 CD ARG A 54 -2.988 -12.306 -4.847 1.00 0.00 C ATOM 852 NE ARG A 54 -1.842 -13.099 -5.346 1.00 0.00 N ATOM 853 CZ ARG A 54 -1.350 -14.179 -4.723 1.00 0.00 C ATOM 854 NH1 ARG A 54 -1.898 -14.600 -3.576 1.00 0.00 N ATOM 855 NH2 ARG A 54 -0.307 -14.837 -5.249 1.00 0.00 N ATOM 0 H ARG A 54 -4.482 -8.001 -6.614 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.718 -10.622 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.386 -9.101 -5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.176 -10.299 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.817 -11.441 -6.641 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.293 -10.731 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.784 -11.954 -3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.879 -12.932 -4.793 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.400 -12.806 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.691 -14.099 -3.175 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.523 -15.422 -3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.111 -14.516 -6.122 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.069 -15.659 -4.776 1.00 0.00 H new ATOM 869 N THR A 55 -7.011 -10.094 -4.049 1.00 0.00 N ATOM 870 CA THR A 55 -7.988 -9.731 -3.036 1.00 0.00 C ATOM 871 C THR A 55 -7.333 -9.686 -1.654 1.00 0.00 C ATOM 872 O THR A 55 -6.454 -10.492 -1.353 1.00 0.00 O ATOM 873 CB THR A 55 -9.151 -10.720 -3.126 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.520 -11.981 -3.333 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.999 -10.516 -4.383 1.00 0.00 C ATOM 0 H THR A 55 -6.913 -11.097 -4.207 1.00 0.00 H new ATOM 0 HA THR A 55 -8.381 -8.729 -3.206 1.00 0.00 H new ATOM 0 HB THR A 55 -9.782 -10.618 -2.243 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.202 -12.681 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.810 -11.244 -4.397 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.415 -9.509 -4.381 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.376 -10.650 -5.268 1.00 0.00 H new ATOM 883 N LEU A 56 -7.787 -8.735 -0.851 1.00 0.00 N ATOM 884 CA LEU A 56 -7.255 -8.575 0.493 1.00 0.00 C ATOM 885 C LEU A 56 -7.387 -9.897 1.250 1.00 0.00 C ATOM 886 O LEU A 56 -6.536 -10.233 2.073 1.00 0.00 O ATOM 887 CB LEU A 56 -7.927 -7.394 1.196 1.00 0.00 C ATOM 888 CG LEU A 56 -7.728 -6.023 0.545 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.946 -5.126 0.774 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.433 -5.369 1.032 1.00 0.00 C ATOM 0 H LEU A 56 -8.516 -8.068 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.193 -8.334 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.997 -7.594 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.554 -7.346 2.219 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.632 -6.165 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.779 -4.158 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.829 -5.594 0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.099 -4.986 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.315 -4.396 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.475 -5.240 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.585 -6.004 0.775 1.00 0.00 H new ATOM 902 N SER A 57 -8.460 -10.613 0.946 1.00 0.00 N ATOM 903 CA SER A 57 -8.714 -11.892 1.587 1.00 0.00 C ATOM 904 C SER A 57 -7.604 -12.884 1.233 1.00 0.00 C ATOM 905 O SER A 57 -7.129 -13.622 2.095 1.00 0.00 O ATOM 906 CB SER A 57 -10.077 -12.452 1.179 1.00 0.00 C ATOM 907 OG SER A 57 -10.239 -13.810 1.580 1.00 0.00 O ATOM 0 H SER A 57 -9.164 -10.331 0.264 1.00 0.00 H new ATOM 0 HA SER A 57 -8.724 -11.738 2.666 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.866 -11.846 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.190 -12.378 0.097 1.00 0.00 H new ATOM 0 HG SER A 57 -11.123 -14.130 1.302 1.00 0.00 H new ATOM 913 N ASP A 58 -7.224 -12.870 -0.036 1.00 0.00 N ATOM 914 CA ASP A 58 -6.180 -13.760 -0.514 1.00 0.00 C ATOM 915 C ASP A 58 -4.865 -13.421 0.191 1.00 0.00 C ATOM 916 O ASP A 58 -3.936 -14.227 0.200 1.00 0.00 O ATOM 917 CB ASP A 58 -5.964 -13.596 -2.020 1.00 0.00 C ATOM 918 CG ASP A 58 -5.580 -14.879 -2.761 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.091 -15.804 -2.078 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.784 -14.904 -3.995 1.00 0.00 O ATOM 0 H ASP A 58 -7.620 -12.256 -0.748 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.487 -14.784 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.878 -13.199 -2.462 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.183 -12.853 -2.181 1.00 0.00 H new ATOM 925 N TYR A 59 -4.828 -12.227 0.764 1.00 0.00 N ATOM 926 CA TYR A 59 -3.642 -11.772 1.470 1.00 0.00 C ATOM 927 C TYR A 59 -3.782 -11.995 2.977 1.00 0.00 C ATOM 928 O TYR A 59 -2.866 -11.693 3.740 1.00 0.00 O ATOM 929 CB TYR A 59 -3.539 -10.270 1.196 1.00 0.00 C ATOM 930 CG TYR A 59 -2.885 -9.925 -0.143 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.709 -10.542 -0.516 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.471 -8.996 -0.978 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.093 -10.218 -1.776 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.856 -8.671 -2.239 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.697 -9.298 -2.575 1.00 0.00 C ATOM 936 OH TYR A 59 -1.115 -8.991 -3.766 1.00 0.00 O ATOM 0 H TYR A 59 -5.600 -11.561 0.754 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.761 -12.320 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.539 -9.837 1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.968 -9.803 1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.250 -11.269 0.138 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.391 -8.512 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.173 -10.694 -2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.305 -7.946 -2.902 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.332 -9.684 -4.424 1.00 0.00 H new ATOM 946 N ASN A 60 -4.936 -12.524 3.360 1.00 0.00 N ATOM 947 CA ASN A 60 -5.207 -12.790 4.763 1.00 0.00 C ATOM 948 C ASN A 60 -4.997 -11.509 5.572 1.00 0.00 C ATOM 949 O ASN A 60 -4.314 -11.521 6.594 1.00 0.00 O ATOM 950 CB ASN A 60 -4.258 -13.858 5.314 1.00 0.00 C ATOM 951 CG ASN A 60 -4.786 -14.434 6.629 1.00 0.00 C ATOM 952 OD1 ASN A 60 -4.908 -13.748 7.631 1.00 0.00 O ATOM 953 ND2 ASN A 60 -5.090 -15.727 6.571 1.00 0.00 N ATOM 0 H ASN A 60 -5.693 -12.775 2.724 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.235 -13.142 4.846 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.141 -14.658 4.583 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.270 -13.425 5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.450 -16.204 7.398 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.964 -16.242 5.700 1.00 0.00 H new ATOM 960 N ILE A 61 -5.598 -10.434 5.083 1.00 0.00 N ATOM 961 CA ILE A 61 -5.485 -9.147 5.748 1.00 0.00 C ATOM 962 C ILE A 61 -6.471 -9.094 6.917 1.00 0.00 C ATOM 963 O ILE A 61 -7.651 -9.397 6.752 1.00 0.00 O ATOM 964 CB ILE A 61 -5.662 -8.007 4.742 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.346 -7.702 4.022 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.247 -6.766 5.418 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.603 -7.028 2.673 1.00 0.00 C ATOM 0 H ILE A 61 -6.164 -10.428 4.235 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.486 -9.020 6.166 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.377 -8.327 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.728 -7.054 4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.788 -8.626 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.363 -5.971 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.220 -7.009 5.845 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.576 -6.432 6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.652 -6.822 2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.200 -7.688 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.140 -6.093 2.830 1.00 0.00 H new ATOM 979 N GLN A 62 -5.950 -8.705 8.071 1.00 0.00 N ATOM 980 CA GLN A 62 -6.769 -8.609 9.267 1.00 0.00 C ATOM 981 C GLN A 62 -7.292 -7.181 9.439 1.00 0.00 C ATOM 982 O GLN A 62 -6.679 -6.230 8.956 1.00 0.00 O ATOM 983 CB GLN A 62 -5.989 -9.060 10.504 1.00 0.00 C ATOM 984 CG GLN A 62 -5.060 -10.229 10.171 1.00 0.00 C ATOM 985 CD GLN A 62 -5.179 -11.341 11.215 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.193 -12.009 11.336 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.090 -11.499 11.962 1.00 0.00 N ATOM 0 H GLN A 62 -4.971 -8.453 8.203 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.623 -9.277 9.153 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.405 -8.226 10.894 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.685 -9.356 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.306 -10.624 9.185 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.029 -9.877 10.126 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.275 -10.905 11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.070 -12.214 12.689 1.00 0.00 H new ATOM 996 N LYS A 63 -8.417 -7.076 10.129 1.00 0.00 N ATOM 997 CA LYS A 63 -9.030 -5.781 10.371 1.00 0.00 C ATOM 998 C LYS A 63 -7.974 -4.817 10.916 1.00 0.00 C ATOM 999 O LYS A 63 -7.201 -5.175 11.804 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.255 -5.927 11.275 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.901 -6.678 12.560 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.600 -8.038 12.609 1.00 0.00 C ATOM 1003 CE LYS A 63 -10.034 -8.904 13.737 1.00 0.00 C ATOM 1004 NZ LYS A 63 -11.107 -9.711 14.360 1.00 0.00 N ATOM 0 H LYS A 63 -8.921 -7.867 10.529 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.401 -5.355 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.649 -4.941 11.522 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.043 -6.460 10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.822 -6.817 12.619 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.193 -6.083 13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.671 -7.896 12.757 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.475 -8.550 11.655 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.258 -9.561 13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.564 -8.270 14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.705 -10.292 15.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.834 -9.079 14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.537 -10.330 13.643 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.975 -3.614 10.363 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.027 -2.596 10.783 1.00 0.00 C ATOM 1020 C GLU A 64 -5.596 -3.124 10.668 1.00 0.00 C ATOM 1021 O GLU A 64 -4.840 -3.099 11.639 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.324 -2.124 12.208 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.785 -1.692 12.349 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.584 -2.713 13.161 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.077 -3.106 14.234 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.683 -3.078 12.690 1.00 0.00 O ATOM 0 H GLU A 64 -8.618 -3.321 9.627 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.131 -1.736 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.109 -2.927 12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.669 -1.291 12.463 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.834 -0.717 12.835 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.231 -1.579 11.361 1.00 0.00 H new ATOM 1033 N SER A 65 -5.265 -3.588 9.473 1.00 0.00 N ATOM 1034 CA SER A 65 -3.937 -4.122 9.218 1.00 0.00 C ATOM 1035 C SER A 65 -2.930 -2.977 9.086 1.00 0.00 C ATOM 1036 O SER A 65 -3.316 -1.814 8.981 1.00 0.00 O ATOM 1037 CB SER A 65 -3.924 -4.987 7.956 1.00 0.00 C ATOM 1038 OG SER A 65 -4.374 -6.314 8.215 1.00 0.00 O ATOM 0 H SER A 65 -5.893 -3.606 8.670 1.00 0.00 H new ATOM 0 HA SER A 65 -3.654 -4.752 10.061 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.559 -4.530 7.197 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.913 -5.020 7.549 1.00 0.00 H new ATOM 0 HG SER A 65 -5.086 -6.292 8.888 1.00 0.00 H new ATOM 1044 N THR A 66 -1.658 -3.347 9.097 1.00 0.00 N ATOM 1045 CA THR A 66 -0.592 -2.366 8.980 1.00 0.00 C ATOM 1046 C THR A 66 0.057 -2.444 7.597 1.00 0.00 C ATOM 1047 O THR A 66 0.946 -3.263 7.370 1.00 0.00 O ATOM 1048 CB THR A 66 0.393 -2.599 10.127 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.250 -2.020 11.260 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.678 -1.783 9.971 1.00 0.00 C ATOM 0 H THR A 66 -1.341 -4.313 9.185 1.00 0.00 H new ATOM 0 HA THR A 66 -0.979 -1.351 9.065 1.00 0.00 H new ATOM 0 HB THR A 66 0.641 -3.659 10.182 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.320 -2.128 12.050 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.342 -1.986 10.811 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.175 -2.060 9.041 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.434 -0.721 9.949 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.414 -1.582 6.708 1.00 0.00 N ATOM 1059 CA LEU A 67 0.110 -1.544 5.352 1.00 0.00 C ATOM 1060 C LEU A 67 0.930 -0.267 5.164 1.00 0.00 C ATOM 1061 O LEU A 67 0.621 0.768 5.752 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.024 -1.703 4.336 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.933 -2.918 4.529 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.023 -2.628 5.562 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.516 -3.385 3.195 1.00 0.00 C ATOM 0 H LEU A 67 -1.152 -0.905 6.899 1.00 0.00 H new ATOM 0 HA LEU A 67 0.783 -2.384 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.641 -0.805 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.587 -1.756 3.339 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.329 -3.737 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.655 -3.508 5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.562 -2.381 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.630 -1.788 5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.158 -4.250 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.100 -2.579 2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.705 -3.660 2.520 1.00 0.00 H new ATOM 1077 N HIS A 68 1.962 -0.381 4.339 1.00 0.00 N ATOM 1078 CA HIS A 68 2.829 0.751 4.065 1.00 0.00 C ATOM 1079 C HIS A 68 2.573 1.263 2.647 1.00 0.00 C ATOM 1080 O HIS A 68 2.838 0.562 1.673 1.00 0.00 O ATOM 1081 CB HIS A 68 4.296 0.383 4.307 1.00 0.00 C ATOM 1082 CG HIS A 68 4.842 0.869 5.627 1.00 0.00 C ATOM 1083 ND1 HIS A 68 4.213 0.622 6.835 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.964 1.589 5.918 1.00 0.00 C ATOM 1085 CE1 HIS A 68 4.932 1.174 7.802 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.016 1.773 7.231 1.00 0.00 N ATOM 0 H HIS A 68 2.216 -1.241 3.852 1.00 0.00 H new ATOM 0 HA HIS A 68 2.600 1.564 4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.400 -0.701 4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.901 0.797 3.501 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.687 1.948 5.201 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.700 1.153 8.857 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.747 2.279 7.731 1.00 0.00 H new ATOM 1094 N LEU A 69 2.060 2.483 2.577 1.00 0.00 N ATOM 1095 CA LEU A 69 1.763 3.097 1.294 1.00 0.00 C ATOM 1096 C LEU A 69 2.957 3.947 0.853 1.00 0.00 C ATOM 1097 O LEU A 69 3.138 5.066 1.330 1.00 0.00 O ATOM 1098 CB LEU A 69 0.447 3.875 1.363 1.00 0.00 C ATOM 1099 CG LEU A 69 0.294 5.023 0.364 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.403 4.516 -1.076 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.008 5.789 0.605 1.00 0.00 C ATOM 0 H LEU A 69 1.843 3.062 3.388 1.00 0.00 H new ATOM 0 HA LEU A 69 1.615 2.333 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.374 3.175 1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.339 4.279 2.370 1.00 0.00 H new ATOM 0 HG LEU A 69 1.114 5.724 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.291 5.353 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.377 4.051 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.381 3.783 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.092 6.600 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.855 5.112 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.006 6.202 1.614 1.00 0.00 H new ATOM 1113 N VAL A 70 3.741 3.382 -0.053 1.00 0.00 N ATOM 1114 CA VAL A 70 4.913 4.072 -0.565 1.00 0.00 C ATOM 1115 C VAL A 70 4.714 4.375 -2.051 1.00 0.00 C ATOM 1116 O VAL A 70 3.858 3.776 -2.700 1.00 0.00 O ATOM 1117 CB VAL A 70 6.171 3.247 -0.286 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.418 3.948 -0.831 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.314 2.956 1.210 1.00 0.00 C ATOM 0 H VAL A 70 3.588 2.453 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 70 5.047 5.026 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 70 6.070 2.294 -0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.298 3.341 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.319 4.081 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.526 4.922 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.216 2.368 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.383 3.895 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.445 2.397 1.557 1.00 0.00 H new