USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot 180:sc= 0.0089 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.00206 X(o=0.011,f=-0.18) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.0947 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -154:sc= 1.18 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 11:sc= 0.977 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0584 (180deg=-0.0584) USER MOD Single : A 1 MET N :NH3+ 172:sc= 2.43 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 1.25 (180deg=0.909) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0389 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.956 (180deg=0.896) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= 0.0556 K(o=0.056,f=-0.78) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.238 K(o=-0.24,f=-0.89) USER MOD Single : A 55 THR OG1 : rot -48:sc= 0.758 USER MOD Single : A 57 SER OG : rot 180:sc= -0.152 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.698 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 1.12 (180deg=-0.243) USER MOD Single : A 65 SER OG : rot 71:sc= 0.658 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.93 K(o=0.93,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.144 -6.875 -4.940 1.00 9.67 N ATOM 2 CA MET A 1 11.137 -7.398 -3.532 1.00 10.38 C ATOM 3 C MET A 1 9.761 -7.888 -3.092 1.00 9.62 C ATOM 4 O MET A 1 8.802 -7.257 -3.484 1.00 9.62 O ATOM 5 CB MET A 1 11.685 -6.352 -2.504 1.00 13.77 C ATOM 6 CG MET A 1 10.825 -5.055 -2.375 1.00 16.29 C ATOM 7 SD MET A 1 11.518 -3.913 -1.099 1.00 17.17 S ATOM 8 CE MET A 1 10.207 -2.675 -1.269 1.00 16.11 C ATOM 0 H1 MET A 1 12.063 -6.433 -5.141 1.00 9.67 H new ATOM 0 H2 MET A 1 10.985 -7.660 -5.603 1.00 9.67 H new ATOM 0 H3 MET A 1 10.388 -6.169 -5.052 1.00 9.67 H new ATOM 0 HA MET A 1 11.811 -8.254 -3.541 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.753 -6.826 -1.525 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.698 -6.073 -2.794 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.784 -4.546 -3.338 1.00 16.29 H new ATOM 0 HG3 MET A 1 9.801 -5.320 -2.111 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.395 -1.849 -0.582 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.191 -2.300 -2.292 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.245 -3.130 -1.035 1.00 16.11 H new ATOM 20 N GLN A 2 9.587 -8.885 -2.225 1.00 9.27 N ATOM 21 CA GLN A 2 8.423 -9.155 -1.299 1.00 9.07 C ATOM 22 C GLN A 2 8.175 -7.977 -0.357 1.00 8.72 C ATOM 23 O GLN A 2 9.091 -7.354 0.134 1.00 8.22 O ATOM 24 CB GLN A 2 8.630 -10.471 -0.441 1.00 14.46 C ATOM 25 CG GLN A 2 8.859 -11.683 -1.341 1.00 17.01 C ATOM 26 CD GLN A 2 9.146 -12.965 -0.542 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.422 -13.032 0.685 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.201 -14.061 -1.302 1.00 19.49 N ATOM 0 H GLN A 2 10.305 -9.603 -2.122 1.00 9.27 H new ATOM 0 HA GLN A 2 7.553 -9.295 -1.941 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.482 -10.343 0.226 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.756 -10.641 0.187 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.980 -11.838 -1.967 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.695 -11.481 -2.011 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.977 -14.004 -2.296 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.467 -14.955 -0.889 1.00 19.49 H new ATOM 37 N ILE A 3 6.864 -7.827 -0.018 1.00 5.87 N ATOM 38 CA ILE A 3 6.297 -7.048 1.099 1.00 5.07 C ATOM 39 C ILE A 3 4.955 -7.711 1.450 1.00 4.01 C ATOM 40 O ILE A 3 4.355 -8.473 0.656 1.00 4.61 O ATOM 41 CB ILE A 3 6.065 -5.567 0.904 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.104 -5.358 -0.337 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.406 -4.744 0.870 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.663 -3.930 -0.344 1.00 10.83 C ATOM 0 H ILE A 3 6.131 -8.283 -0.562 1.00 5.87 H new ATOM 0 HA ILE A 3 7.058 -7.072 1.879 1.00 5.07 H new ATOM 0 HB ILE A 3 5.554 -5.150 1.772 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.621 -5.602 -1.265 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.243 -6.023 -0.268 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.181 -3.687 0.728 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.939 -4.878 1.811 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.028 -5.096 0.047 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.998 -3.759 -1.191 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.134 -3.708 0.583 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.534 -3.281 -0.429 1.00 10.83 H new ATOM 56 N PHE A 4 4.473 -7.326 2.608 1.00 4.55 N ATOM 57 CA PHE A 4 3.215 -7.775 3.125 1.00 4.68 C ATOM 58 C PHE A 4 2.343 -6.504 3.256 1.00 5.30 C ATOM 59 O PHE A 4 2.767 -5.493 3.762 1.00 5.58 O ATOM 60 CB PHE A 4 3.383 -8.451 4.558 1.00 4.83 C ATOM 61 CG PHE A 4 4.201 -9.682 4.493 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.609 -10.805 3.821 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.404 -9.892 5.088 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.245 -12.040 3.717 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.043 -11.136 5.084 1.00 10.61 C ATOM 66 CZ PHE A 4 5.388 -12.268 4.499 1.00 8.90 C ATOM 0 H PHE A 4 4.960 -6.677 3.226 1.00 4.55 H new ATOM 0 HA PHE A 4 2.772 -8.524 2.468 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.848 -7.741 5.242 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.400 -8.689 4.965 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.631 -10.687 3.378 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.887 -9.064 5.585 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.868 -12.803 3.052 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.025 -11.243 5.520 1.00 10.61 H new ATOM 0 HZ PHE A 4 5.763 -13.269 4.655 1.00 8.90 H new ATOM 76 N VAL A 5 1.121 -6.480 2.801 1.00 4.44 N ATOM 77 CA VAL A 5 0.062 -5.483 3.054 1.00 3.87 C ATOM 78 C VAL A 5 -1.047 -6.134 3.869 1.00 4.93 C ATOM 79 O VAL A 5 -1.624 -7.151 3.459 1.00 6.84 O ATOM 80 CB VAL A 5 -0.400 -4.835 1.805 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.644 -3.971 2.020 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.778 -3.953 1.348 1.00 9.13 C ATOM 0 H VAL A 5 0.788 -7.219 2.182 1.00 4.44 H new ATOM 0 HA VAL A 5 0.461 -4.660 3.647 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.683 -5.586 1.067 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.941 -3.519 1.074 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.457 -4.591 2.397 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.421 -3.186 2.743 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.511 -3.439 0.425 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.003 -3.218 2.121 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.654 -4.578 1.175 1.00 9.13 H new ATOM 92 N LYS A 6 -1.320 -5.620 5.044 1.00 6.04 N ATOM 93 CA LYS A 6 -2.172 -6.241 6.032 1.00 6.12 C ATOM 94 C LYS A 6 -3.514 -5.519 6.318 1.00 6.57 C ATOM 95 O LYS A 6 -3.450 -4.326 6.611 1.00 5.76 O ATOM 96 CB LYS A 6 -1.431 -6.405 7.372 1.00 7.45 C ATOM 97 CG LYS A 6 -2.076 -7.349 8.381 1.00 11.12 C ATOM 98 CD LYS A 6 -1.222 -7.741 9.593 1.00 14.54 C ATOM 99 CE LYS A 6 -1.874 -8.812 10.481 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.685 -10.152 9.890 1.00 20.55 N ATOM 0 H LYS A 6 -0.941 -4.724 5.351 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.422 -7.201 5.581 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.422 -6.761 7.165 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.334 -5.422 7.834 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.993 -6.885 8.745 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.366 -8.261 7.859 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.257 -8.108 9.244 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.027 -6.852 10.193 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.437 -8.782 11.479 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.938 -8.603 10.593 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.449 -10.782 10.207 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.704 -10.080 8.853 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.769 -10.539 10.193 1.00 20.55 H new ATOM 114 N THR A 7 -4.713 -6.181 6.225 1.00 7.41 N ATOM 115 CA THR A 7 -5.954 -5.497 6.550 1.00 7.48 C ATOM 116 C THR A 7 -6.211 -5.503 8.006 1.00 8.75 C ATOM 117 O THR A 7 -5.756 -6.361 8.781 1.00 8.58 O ATOM 118 CB THR A 7 -7.171 -6.049 5.812 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.591 -7.323 6.218 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.911 -6.060 4.306 1.00 9.17 C ATOM 0 H THR A 7 -4.818 -7.153 5.936 1.00 7.41 H new ATOM 0 HA THR A 7 -5.810 -4.472 6.209 1.00 7.48 H new ATOM 0 HB THR A 7 -7.985 -5.372 6.071 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.374 -7.592 5.693 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.785 -6.456 3.789 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.715 -5.044 3.963 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.047 -6.688 4.091 1.00 9.17 H new ATOM 128 N LEU A 8 -7.033 -4.527 8.528 1.00 9.84 N ATOM 129 CA LEU A 8 -7.355 -4.391 9.965 1.00 14.15 C ATOM 130 C LEU A 8 -8.169 -5.578 10.479 1.00 17.37 C ATOM 131 O LEU A 8 -8.224 -5.866 11.636 1.00 17.01 O ATOM 132 CB LEU A 8 -8.216 -3.112 10.205 1.00 16.63 C ATOM 133 CG LEU A 8 -7.588 -1.717 9.876 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.671 -0.670 10.122 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.316 -1.474 10.616 1.00 18.59 C ATOM 0 H LEU A 8 -7.483 -3.819 7.947 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.403 -4.337 10.494 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.129 -3.212 9.617 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.512 -3.103 11.254 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.278 -1.666 8.832 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.275 0.322 9.904 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.524 -0.870 9.474 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.989 -0.713 11.164 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.923 -0.493 10.351 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.506 -1.511 11.689 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.588 -2.240 10.350 1.00 18.59 H new ATOM 147 N THR A 9 -8.759 -6.383 9.537 1.00 18.33 N ATOM 148 CA THR A 9 -9.665 -7.454 9.869 1.00 19.24 C ATOM 149 C THR A 9 -8.956 -8.782 9.586 1.00 19.48 C ATOM 150 O THR A 9 -9.648 -9.809 9.631 1.00 23.14 O ATOM 151 CB THR A 9 -10.939 -7.487 9.027 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.649 -7.536 7.613 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.650 -6.111 9.263 1.00 19.70 C ATOM 0 H THR A 9 -8.597 -6.279 8.535 1.00 18.33 H new ATOM 0 HA THR A 9 -9.943 -7.297 10.911 1.00 19.24 H new ATOM 0 HB THR A 9 -11.526 -8.362 9.307 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.488 -7.558 7.107 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.573 -6.074 8.684 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.882 -5.998 10.322 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.991 -5.302 8.947 1.00 19.70 H new ATOM 161 N GLY A 10 -7.593 -8.870 9.513 1.00 19.43 N ATOM 162 CA GLY A 10 -6.978 -10.170 9.617 1.00 18.74 C ATOM 163 C GLY A 10 -6.510 -10.826 8.353 1.00 17.62 C ATOM 164 O GLY A 10 -6.110 -11.963 8.461 1.00 19.74 O ATOM 0 H GLY A 10 -6.954 -8.084 9.389 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.122 -10.083 10.286 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.691 -10.840 10.098 1.00 18.74 H new ATOM 168 N LYS A 11 -6.605 -10.230 7.171 1.00 13.56 N ATOM 169 CA LYS A 11 -6.176 -10.751 5.904 1.00 11.91 C ATOM 170 C LYS A 11 -4.801 -10.194 5.509 1.00 10.18 C ATOM 171 O LYS A 11 -4.609 -8.940 5.572 1.00 9.10 O ATOM 172 CB LYS A 11 -7.180 -10.367 4.807 1.00 13.43 C ATOM 173 CG LYS A 11 -7.035 -11.165 3.498 1.00 16.69 C ATOM 174 CD LYS A 11 -8.078 -10.756 2.419 1.00 17.92 C ATOM 175 CE LYS A 11 -7.812 -9.378 1.840 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.733 -9.250 0.706 1.00 21.93 N ATOM 0 H LYS A 11 -7.016 -9.301 7.080 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.113 -11.835 6.003 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.190 -10.506 5.192 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.067 -9.306 4.585 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.031 -11.019 3.099 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.141 -12.228 3.713 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.070 -11.491 1.615 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -9.075 -10.775 2.858 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.990 -8.599 2.581 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.775 -9.280 1.518 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.665 -8.291 0.310 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.482 -9.945 -0.026 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.707 -9.423 1.028 1.00 21.93 H new ATOM 190 N THR A 12 -3.796 -11.054 5.118 1.00 9.63 N ATOM 191 CA THR A 12 -2.472 -10.518 4.781 1.00 9.85 C ATOM 192 C THR A 12 -2.006 -10.938 3.335 1.00 11.66 C ATOM 193 O THR A 12 -1.849 -12.117 3.059 1.00 12.33 O ATOM 194 CB THR A 12 -1.310 -10.891 5.762 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.644 -10.581 7.127 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.060 -10.114 5.534 1.00 9.63 C ATOM 0 H THR A 12 -3.891 -12.066 5.038 1.00 9.63 H new ATOM 0 HA THR A 12 -2.639 -9.444 4.857 1.00 9.85 H new ATOM 0 HB THR A 12 -1.163 -11.955 5.578 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.597 -10.360 7.188 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.699 -10.427 6.251 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.301 -10.294 4.521 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.264 -9.051 5.663 1.00 9.63 H new ATOM 204 N ILE A 13 -1.727 -9.956 2.488 1.00 10.42 N ATOM 205 CA ILE A 13 -1.423 -10.083 1.103 1.00 11.84 C ATOM 206 C ILE A 13 0.055 -9.890 0.827 1.00 10.55 C ATOM 207 O ILE A 13 0.619 -8.889 1.250 1.00 11.92 O ATOM 208 CB ILE A 13 -2.358 -9.345 0.077 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.435 -7.831 0.315 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.778 -9.956 0.208 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.178 -7.044 -0.794 1.00 16.46 C ATOM 0 H ILE A 13 -1.711 -8.983 2.793 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.676 -11.122 0.894 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.943 -9.483 -0.921 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.933 -7.650 1.267 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.422 -7.438 0.406 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.452 -9.464 -0.493 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.737 -11.022 -0.016 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.144 -9.812 1.225 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.185 -5.983 -0.545 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.669 -7.190 -1.747 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.203 -7.405 -0.872 1.00 16.46 H new ATOM 223 N THR A 14 0.580 -10.882 0.079 1.00 9.39 N ATOM 224 CA THR A 14 2.021 -10.913 -0.185 1.00 9.63 C ATOM 225 C THR A 14 2.194 -10.466 -1.612 1.00 11.20 C ATOM 226 O THR A 14 1.456 -10.890 -2.504 1.00 11.63 O ATOM 227 CB THR A 14 2.715 -12.272 -0.005 1.00 10.38 C ATOM 228 OG1 THR A 14 2.303 -13.059 1.121 1.00 16.30 O ATOM 229 CG2 THR A 14 4.246 -12.096 0.031 1.00 11.66 C ATOM 0 H THR A 14 0.045 -11.644 -0.337 1.00 9.39 H new ATOM 0 HA THR A 14 2.495 -10.269 0.555 1.00 9.63 H new ATOM 0 HB THR A 14 2.394 -12.840 -0.878 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.807 -13.899 1.135 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.721 -13.069 0.159 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.583 -11.648 -0.904 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.518 -11.447 0.863 1.00 11.66 H new ATOM 237 N LEU A 15 3.164 -9.594 -1.829 1.00 8.29 N ATOM 238 CA LEU A 15 3.278 -8.834 -3.072 1.00 9.03 C ATOM 239 C LEU A 15 4.618 -8.937 -3.704 1.00 8.59 C ATOM 240 O LEU A 15 5.565 -9.393 -3.101 1.00 7.79 O ATOM 241 CB LEU A 15 2.827 -7.421 -2.886 1.00 11.08 C ATOM 242 CG LEU A 15 1.388 -7.184 -2.406 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.268 -5.624 -2.094 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.357 -7.658 -3.463 1.00 15.27 C ATOM 0 H LEU A 15 3.898 -9.390 -1.151 1.00 8.29 H new ATOM 0 HA LEU A 15 2.598 -9.297 -3.787 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.500 -6.946 -2.172 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.952 -6.902 -3.836 1.00 11.08 H new ATOM 0 HG LEU A 15 1.167 -7.765 -1.510 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.259 -5.399 -1.747 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.987 -5.351 -1.321 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.476 -5.055 -3.000 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.652 -7.477 -3.094 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.508 -7.107 -4.391 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.490 -8.724 -3.648 1.00 15.27 H new ATOM 256 N GLU A 16 4.771 -8.490 -4.921 1.00 11.04 N ATOM 257 CA GLU A 16 6.084 -8.278 -5.466 1.00 11.50 C ATOM 258 C GLU A 16 6.086 -6.902 -5.982 1.00 10.13 C ATOM 259 O GLU A 16 5.325 -6.595 -6.899 1.00 9.83 O ATOM 260 CB GLU A 16 6.369 -9.231 -6.726 1.00 17.22 C ATOM 261 CG GLU A 16 7.716 -9.122 -7.449 1.00 23.33 C ATOM 262 CD GLU A 16 8.854 -9.522 -6.492 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.778 -10.669 -5.986 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.876 -8.782 -6.325 1.00 28.90 O ATOM 0 H GLU A 16 4.003 -8.266 -5.554 1.00 11.04 H new ATOM 0 HA GLU A 16 6.830 -8.476 -4.697 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.258 -10.262 -6.391 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.585 -9.048 -7.461 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.722 -9.769 -8.326 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.868 -8.102 -7.803 1.00 23.33 H new ATOM 271 N VAL A 17 6.951 -6.059 -5.440 1.00 8.99 N ATOM 272 CA VAL A 17 7.129 -4.662 -5.840 1.00 8.85 C ATOM 273 C VAL A 17 8.598 -4.315 -5.987 1.00 8.04 C ATOM 274 O VAL A 17 9.477 -4.792 -5.281 1.00 8.99 O ATOM 275 CB VAL A 17 6.500 -3.694 -4.828 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.980 -3.806 -4.883 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.119 -3.948 -3.434 1.00 10.54 C ATOM 0 H VAL A 17 7.574 -6.334 -4.681 1.00 8.99 H new ATOM 0 HA VAL A 17 6.626 -4.553 -6.801 1.00 8.85 H new ATOM 0 HB VAL A 17 6.723 -2.656 -5.075 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.538 -3.117 -4.163 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.633 -3.555 -5.885 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.681 -4.826 -4.640 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.677 -3.264 -2.710 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.921 -4.976 -3.130 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.196 -3.783 -3.478 1.00 10.54 H new ATOM 287 N GLU A 18 8.950 -3.327 -6.837 1.00 7.29 N ATOM 288 CA GLU A 18 10.257 -2.783 -6.778 1.00 7.08 C ATOM 289 C GLU A 18 10.159 -1.669 -5.641 1.00 6.45 C ATOM 290 O GLU A 18 9.050 -1.121 -5.422 1.00 5.28 O ATOM 291 CB GLU A 18 10.775 -2.099 -8.079 1.00 10.28 C ATOM 292 CG GLU A 18 10.938 -3.146 -9.183 1.00 12.65 C ATOM 293 CD GLU A 18 11.555 -2.506 -10.437 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.763 -1.743 -11.139 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.722 -2.841 -10.784 1.00 18.17 O ATOM 0 H GLU A 18 8.339 -2.920 -7.545 1.00 7.29 H new ATOM 0 HA GLU A 18 10.961 -3.597 -6.601 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.076 -1.326 -8.398 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.729 -1.607 -7.888 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.573 -3.959 -8.832 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.969 -3.581 -9.427 1.00 12.65 H new ATOM 302 N PRO A 19 11.278 -1.313 -5.043 1.00 7.24 N ATOM 303 CA PRO A 19 11.186 -0.148 -4.100 1.00 7.07 C ATOM 304 C PRO A 19 11.108 1.140 -4.863 1.00 6.65 C ATOM 305 O PRO A 19 10.688 2.202 -4.339 1.00 6.37 O ATOM 306 CB PRO A 19 12.412 -0.389 -3.198 1.00 7.61 C ATOM 307 CG PRO A 19 13.369 -1.152 -4.090 1.00 8.16 C ATOM 308 CD PRO A 19 12.425 -2.098 -4.884 1.00 7.49 C ATOM 0 HA PRO A 19 10.289 -0.067 -3.485 1.00 7.07 H new ATOM 0 HB2 PRO A 19 12.847 0.549 -2.854 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.149 -0.963 -2.309 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.923 -0.486 -4.751 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.105 -1.709 -3.510 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.854 -2.389 -5.843 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.216 -3.017 -4.336 1.00 7.49 H new ATOM 316 N SER A 20 11.536 1.052 -6.148 1.00 6.80 N ATOM 317 CA SER A 20 11.426 2.131 -7.111 1.00 6.28 C ATOM 318 C SER A 20 10.045 2.437 -7.611 1.00 8.45 C ATOM 319 O SER A 20 9.832 3.494 -8.176 1.00 7.26 O ATOM 320 CB SER A 20 12.371 1.965 -8.267 1.00 8.57 C ATOM 321 OG SER A 20 12.175 0.651 -8.864 1.00 11.13 O ATOM 0 H SER A 20 11.970 0.211 -6.530 1.00 6.80 H new ATOM 0 HA SER A 20 11.715 3.002 -6.523 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.196 2.744 -9.009 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.401 2.073 -7.928 1.00 8.57 H new ATOM 0 HG SER A 20 12.789 0.540 -9.620 1.00 11.13 H new ATOM 327 N ASP A 21 9.056 1.539 -7.425 1.00 7.50 N ATOM 328 CA ASP A 21 7.693 1.799 -7.792 1.00 7.70 C ATOM 329 C ASP A 21 7.055 2.796 -6.918 1.00 7.08 C ATOM 330 O ASP A 21 7.452 2.970 -5.772 1.00 8.11 O ATOM 331 CB ASP A 21 6.868 0.547 -7.599 1.00 11.00 C ATOM 332 CG ASP A 21 7.249 -0.543 -8.647 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.682 -0.228 -9.762 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.831 -1.706 -8.318 1.00 14.36 O ATOM 0 H ASP A 21 9.204 0.618 -7.013 1.00 7.50 H new ATOM 0 HA ASP A 21 7.724 2.149 -8.824 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.022 0.158 -6.593 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.809 0.788 -7.689 1.00 11.00 H new ATOM 339 N THR A 22 5.948 3.470 -7.399 1.00 5.37 N ATOM 340 CA THR A 22 5.174 4.419 -6.575 1.00 6.01 C ATOM 341 C THR A 22 4.137 3.844 -5.668 1.00 8.01 C ATOM 342 O THR A 22 3.770 2.719 -5.926 1.00 8.11 O ATOM 343 CB THR A 22 4.500 5.535 -7.411 1.00 8.92 C ATOM 344 OG1 THR A 22 3.959 5.015 -8.673 1.00 10.22 O ATOM 345 CG2 THR A 22 5.580 6.518 -7.838 1.00 9.65 C ATOM 0 H THR A 22 5.592 3.360 -8.348 1.00 5.37 H new ATOM 0 HA THR A 22 5.962 4.819 -5.937 1.00 6.01 H new ATOM 0 HB THR A 22 3.710 5.971 -6.800 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.540 5.745 -9.175 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.132 7.316 -8.430 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.054 6.944 -6.954 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.328 5.999 -8.437 1.00 9.65 H new ATOM 353 N ILE A 23 3.643 4.530 -4.634 1.00 8.32 N ATOM 354 CA ILE A 23 2.528 4.060 -3.835 1.00 9.92 C ATOM 355 C ILE A 23 1.283 3.870 -4.635 1.00 10.01 C ATOM 356 O ILE A 23 0.635 2.823 -4.424 1.00 8.71 O ATOM 357 CB ILE A 23 2.318 4.987 -2.678 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.574 4.913 -1.833 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.052 4.542 -1.881 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.014 3.510 -1.314 1.00 12.30 C ATOM 0 H ILE A 23 4.013 5.431 -4.333 1.00 8.32 H new ATOM 0 HA ILE A 23 2.778 3.070 -3.453 1.00 9.92 H new ATOM 0 HB ILE A 23 2.148 6.015 -2.997 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.396 5.328 -2.416 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.436 5.563 -0.969 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.897 5.216 -1.038 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.181 4.573 -2.535 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.193 3.526 -1.512 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.926 3.609 -0.725 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.225 3.088 -0.692 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.199 2.850 -2.162 1.00 12.30 H new ATOM 372 N GLU A 24 0.890 4.758 -5.572 1.00 9.54 N ATOM 373 CA GLU A 24 -0.284 4.419 -6.488 1.00 11.81 C ATOM 374 C GLU A 24 -0.085 3.103 -7.269 1.00 11.14 C ATOM 375 O GLU A 24 -0.996 2.325 -7.561 1.00 10.62 O ATOM 376 CB GLU A 24 -0.522 5.556 -7.493 1.00 19.24 C ATOM 377 CG GLU A 24 -1.786 5.355 -8.380 1.00 27.76 C ATOM 378 CD GLU A 24 -2.110 6.688 -8.992 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.271 7.007 -9.873 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.148 7.333 -8.779 1.00 34.80 O ATOM 0 H GLU A 24 1.320 5.669 -5.732 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.148 4.292 -5.836 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.617 6.496 -6.949 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.352 5.648 -8.138 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.599 4.611 -9.154 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.622 4.991 -7.783 1.00 27.76 H new ATOM 387 N ASN A 25 1.177 2.751 -7.669 1.00 9.43 N ATOM 388 CA ASN A 25 1.317 1.492 -8.316 1.00 10.96 C ATOM 389 C ASN A 25 1.306 0.292 -7.385 1.00 9.68 C ATOM 390 O ASN A 25 1.058 -0.832 -7.866 1.00 9.33 O ATOM 391 CB ASN A 25 2.545 1.609 -9.289 1.00 16.78 C ATOM 392 CG ASN A 25 2.114 2.208 -10.584 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.181 1.778 -11.286 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.893 3.205 -11.092 1.00 24.70 N ATOM 0 H ASN A 25 2.027 3.302 -7.549 1.00 9.43 H new ATOM 0 HA ASN A 25 0.428 1.269 -8.906 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.322 2.224 -8.835 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.978 0.624 -9.461 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.703 3.577 -12.023 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.666 3.579 -10.541 1.00 24.70 H new ATOM 401 N VAL A 26 1.468 0.480 -6.062 1.00 6.52 N ATOM 402 CA VAL A 26 1.033 -0.531 -5.091 1.00 5.53 C ATOM 403 C VAL A 26 -0.454 -0.714 -5.042 1.00 4.42 C ATOM 404 O VAL A 26 -0.961 -1.840 -5.105 1.00 3.40 O ATOM 405 CB VAL A 26 1.540 -0.233 -3.688 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.275 -1.446 -2.773 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.017 0.145 -3.753 1.00 8.12 C ATOM 0 H VAL A 26 1.891 1.311 -5.649 1.00 6.52 H new ATOM 0 HA VAL A 26 1.475 -1.461 -5.449 1.00 5.53 H new ATOM 0 HB VAL A 26 1.006 0.615 -3.259 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.639 -1.230 -1.768 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.204 -1.647 -2.736 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.794 -2.320 -3.167 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.382 0.359 -2.749 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.586 -0.682 -4.178 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.139 1.029 -4.379 1.00 8.12 H new ATOM 417 N LYS A 27 -1.227 0.418 -5.056 1.00 2.64 N ATOM 418 CA LYS A 27 -2.669 0.286 -5.153 1.00 4.14 C ATOM 419 C LYS A 27 -3.180 -0.500 -6.354 1.00 5.58 C ATOM 420 O LYS A 27 -4.182 -1.248 -6.260 1.00 4.11 O ATOM 421 CB LYS A 27 -3.326 1.683 -5.047 1.00 3.97 C ATOM 422 CG LYS A 27 -2.905 2.538 -3.847 1.00 7.45 C ATOM 423 CD LYS A 27 -3.622 3.829 -3.526 1.00 9.02 C ATOM 424 CE LYS A 27 -2.991 4.561 -2.341 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.541 5.909 -2.313 1.00 15.47 N ATOM 0 H LYS A 27 -0.874 1.373 -5.003 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.971 -0.332 -4.308 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.102 2.237 -5.958 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.407 1.551 -5.012 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.975 1.905 -2.963 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.851 2.782 -3.982 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.607 4.478 -4.401 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.668 3.616 -3.304 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.208 4.039 -1.409 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.906 4.592 -2.444 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.012 6.486 -1.628 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.463 6.336 -3.258 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.542 5.870 -2.033 1.00 15.47 H new ATOM 439 N ALA A 28 -2.554 -0.308 -7.523 1.00 6.61 N ATOM 440 CA ALA A 28 -2.809 -1.040 -8.745 1.00 7.74 C ATOM 441 C ALA A 28 -2.499 -2.491 -8.522 1.00 9.17 C ATOM 442 O ALA A 28 -3.333 -3.359 -8.830 1.00 11.45 O ATOM 443 CB ALA A 28 -2.016 -0.648 -10.100 1.00 7.68 C ATOM 0 H ALA A 28 -1.825 0.397 -7.635 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.851 -0.779 -8.931 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.336 -1.302 -10.911 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.233 0.387 -10.362 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.944 -0.765 -9.941 1.00 7.68 H new ATOM 449 N LYS A 29 -1.386 -2.842 -7.939 1.00 8.96 N ATOM 450 CA LYS A 29 -0.957 -4.256 -7.638 1.00 7.90 C ATOM 451 C LYS A 29 -1.849 -4.900 -6.595 1.00 6.92 C ATOM 452 O LYS A 29 -2.122 -6.140 -6.546 1.00 6.87 O ATOM 453 CB LYS A 29 0.533 -4.239 -7.109 1.00 10.28 C ATOM 454 CG LYS A 29 1.273 -5.546 -7.262 1.00 14.94 C ATOM 455 CD LYS A 29 1.484 -5.870 -8.729 1.00 19.69 C ATOM 456 CE LYS A 29 2.220 -7.201 -8.950 1.00 22.63 C ATOM 457 NZ LYS A 29 2.527 -7.410 -10.352 1.00 24.98 N ATOM 0 H LYS A 29 -0.699 -2.153 -7.633 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.034 -4.840 -8.555 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.083 -3.462 -7.639 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.526 -3.962 -6.055 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.236 -5.487 -6.755 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.710 -6.347 -6.784 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.517 -5.909 -9.230 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.052 -5.065 -9.195 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.142 -7.209 -8.369 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.605 -8.023 -8.584 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.023 -8.317 -10.467 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.644 -7.426 -10.902 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.134 -6.637 -10.693 1.00 24.98 H new ATOM 471 N ILE A 30 -2.336 -4.042 -5.635 1.00 4.57 N ATOM 472 CA ILE A 30 -3.469 -4.493 -4.826 1.00 5.58 C ATOM 473 C ILE A 30 -4.820 -4.791 -5.492 1.00 7.26 C ATOM 474 O ILE A 30 -5.397 -5.849 -5.346 1.00 9.46 O ATOM 475 CB ILE A 30 -3.578 -3.572 -3.658 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.342 -3.741 -2.683 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.829 -3.828 -2.795 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.236 -2.656 -1.610 1.00 2.00 C ATOM 0 H ILE A 30 -1.979 -3.109 -5.430 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.219 -5.515 -4.542 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.625 -2.576 -4.097 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.409 -4.713 -2.195 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.426 -3.743 -3.273 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.847 -3.124 -1.963 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.724 -3.694 -3.403 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.802 -4.847 -2.408 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.363 -2.846 -0.985 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.135 -1.681 -2.087 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.134 -2.667 -0.992 1.00 2.00 H new ATOM 490 N GLN A 31 -5.297 -3.898 -6.405 1.00 7.06 N ATOM 491 CA GLN A 31 -6.490 -4.003 -7.199 1.00 8.67 C ATOM 492 C GLN A 31 -6.494 -5.174 -8.101 1.00 10.90 C ATOM 493 O GLN A 31 -7.500 -5.874 -8.238 1.00 9.63 O ATOM 494 CB GLN A 31 -6.654 -2.641 -8.046 1.00 9.12 C ATOM 495 CG GLN A 31 -8.014 -2.387 -8.820 1.00 10.76 C ATOM 496 CD GLN A 31 -7.977 -1.197 -9.777 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.993 -0.411 -9.943 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.118 -1.039 -10.472 1.00 14.76 N ATOM 0 H GLN A 31 -4.796 -3.030 -6.597 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.332 -4.149 -6.523 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.501 -1.806 -7.362 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.846 -2.606 -8.777 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.271 -3.284 -9.383 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.809 -2.229 -8.092 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.898 -1.680 -10.325 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.204 -0.278 -11.146 1.00 14.76 H new ATOM 507 N ASP A 32 -5.366 -5.467 -8.748 1.00 10.93 N ATOM 508 CA ASP A 32 -5.218 -6.640 -9.578 1.00 14.01 C ATOM 509 C ASP A 32 -5.435 -7.979 -8.843 1.00 14.04 C ATOM 510 O ASP A 32 -6.249 -8.778 -9.287 1.00 13.39 O ATOM 511 CB ASP A 32 -3.796 -6.489 -10.259 1.00 18.01 C ATOM 512 CG ASP A 32 -3.533 -7.590 -11.333 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.147 -7.565 -12.386 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.683 -8.442 -11.052 1.00 26.29 O ATOM 0 H ASP A 32 -4.529 -4.886 -8.704 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.008 -6.688 -10.327 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.721 -5.506 -10.724 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.022 -6.539 -9.493 1.00 18.01 H new ATOM 519 N LYS A 33 -4.796 -8.147 -7.664 1.00 14.22 N ATOM 520 CA LYS A 33 -4.910 -9.379 -6.885 1.00 14.00 C ATOM 521 C LYS A 33 -6.218 -9.518 -6.125 1.00 12.37 C ATOM 522 O LYS A 33 -6.857 -10.588 -6.102 1.00 12.17 O ATOM 523 CB LYS A 33 -3.753 -9.448 -5.864 1.00 18.62 C ATOM 524 CG LYS A 33 -3.581 -10.780 -5.135 1.00 24.00 C ATOM 525 CD LYS A 33 -2.122 -10.939 -4.647 1.00 27.61 C ATOM 526 CE LYS A 33 -0.966 -11.353 -5.616 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.010 -12.838 -5.922 1.00 30.06 N ATOM 0 H LYS A 33 -4.198 -7.438 -7.239 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.871 -10.193 -7.609 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.823 -9.218 -6.383 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.905 -8.666 -5.120 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.263 -10.829 -4.286 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.841 -11.603 -5.801 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.834 -9.987 -4.202 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.138 -11.675 -3.843 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.045 -10.786 -6.543 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.005 -11.100 -5.168 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.232 -13.083 -6.567 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.911 -13.378 -5.039 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.918 -13.073 -6.371 1.00 30.06 H new ATOM 541 N GLU A 34 -6.640 -8.451 -5.381 1.00 10.11 N ATOM 542 CA GLU A 34 -7.762 -8.473 -4.474 1.00 10.07 C ATOM 543 C GLU A 34 -8.961 -7.616 -4.827 1.00 9.32 C ATOM 544 O GLU A 34 -10.001 -7.560 -4.146 1.00 11.61 O ATOM 545 CB GLU A 34 -7.286 -7.976 -3.101 1.00 14.77 C ATOM 546 CG GLU A 34 -6.165 -8.859 -2.532 1.00 18.75 C ATOM 547 CD GLU A 34 -6.535 -10.270 -2.234 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.289 -10.359 -1.229 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.040 -11.233 -2.857 1.00 25.19 O ATOM 0 H GLU A 34 -6.177 -7.543 -5.418 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.101 -9.508 -4.511 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.931 -6.949 -3.189 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.127 -7.964 -2.407 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.337 -8.863 -3.241 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.797 -8.399 -1.615 1.00 18.75 H new ATOM 556 N GLY A 35 -8.983 -6.966 -5.978 1.00 7.22 N ATOM 557 CA GLY A 35 -10.148 -6.263 -6.522 1.00 6.29 C ATOM 558 C GLY A 35 -10.502 -4.953 -5.904 1.00 6.93 C ATOM 559 O GLY A 35 -11.432 -4.335 -6.327 1.00 7.41 O ATOM 0 H GLY A 35 -8.166 -6.907 -6.585 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.978 -6.100 -7.586 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.012 -6.922 -6.435 1.00 6.29 H new ATOM 563 N ILE A 36 -9.694 -4.445 -4.991 1.00 5.86 N ATOM 564 CA ILE A 36 -9.999 -3.221 -4.255 1.00 6.07 C ATOM 565 C ILE A 36 -9.758 -1.953 -5.094 1.00 6.36 C ATOM 566 O ILE A 36 -8.640 -1.798 -5.594 1.00 6.18 O ATOM 567 CB ILE A 36 -9.204 -3.050 -3.000 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.058 -4.368 -2.214 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.948 -2.003 -2.117 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.136 -4.231 -0.923 1.00 9.49 C ATOM 0 H ILE A 36 -8.802 -4.868 -4.734 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.054 -3.339 -4.008 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.198 -2.722 -3.261 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.046 -4.714 -1.911 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.640 -5.131 -2.871 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.396 -1.851 -1.189 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.019 -1.058 -2.655 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.950 -2.366 -1.888 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.075 -5.194 -0.416 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.137 -3.914 -1.222 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.564 -3.491 -0.247 1.00 9.49 H new ATOM 582 N PRO A 37 -10.708 -0.976 -5.307 1.00 8.65 N ATOM 583 CA PRO A 37 -10.403 0.322 -5.942 1.00 9.18 C ATOM 584 C PRO A 37 -9.365 1.154 -5.254 1.00 9.85 C ATOM 585 O PRO A 37 -9.588 1.380 -4.083 1.00 8.51 O ATOM 586 CB PRO A 37 -11.731 1.086 -5.863 1.00 11.42 C ATOM 587 CG PRO A 37 -12.766 -0.001 -6.058 1.00 9.27 C ATOM 588 CD PRO A 37 -12.154 -1.116 -5.158 1.00 8.33 C ATOM 0 HA PRO A 37 -10.002 0.137 -6.938 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.850 1.588 -4.903 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.801 1.852 -6.635 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.759 0.304 -5.728 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.857 -0.309 -7.100 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.457 -0.993 -4.118 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.489 -2.104 -5.473 1.00 8.33 H new ATOM 596 N PRO A 38 -8.312 1.643 -5.880 1.00 8.71 N ATOM 597 CA PRO A 38 -7.417 2.617 -5.311 1.00 9.08 C ATOM 598 C PRO A 38 -7.948 3.892 -4.720 1.00 9.28 C ATOM 599 O PRO A 38 -7.307 4.420 -3.836 1.00 6.50 O ATOM 600 CB PRO A 38 -6.470 2.970 -6.472 1.00 10.31 C ATOM 601 CG PRO A 38 -6.343 1.705 -7.280 1.00 10.81 C ATOM 602 CD PRO A 38 -7.722 1.035 -7.096 1.00 12.00 C ATOM 0 HA PRO A 38 -6.995 2.146 -4.424 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.873 3.783 -7.075 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.499 3.299 -6.102 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.133 1.915 -8.329 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.535 1.072 -6.914 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.358 1.205 -7.965 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.620 -0.044 -6.982 1.00 12.00 H new ATOM 610 N ASP A 39 -9.202 4.311 -5.081 1.00 11.20 N ATOM 611 CA ASP A 39 -9.926 5.397 -4.484 1.00 14.96 C ATOM 612 C ASP A 39 -10.189 5.214 -3.045 1.00 13.99 C ATOM 613 O ASP A 39 -10.265 6.190 -2.251 1.00 13.75 O ATOM 614 CB ASP A 39 -11.320 5.574 -5.191 1.00 24.16 C ATOM 615 CG ASP A 39 -11.017 5.902 -6.639 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.782 7.116 -6.889 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.102 5.061 -7.538 1.00 35.55 O ATOM 0 H ASP A 39 -9.726 3.859 -5.830 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.288 6.272 -4.610 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.915 4.664 -5.114 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.896 6.372 -4.723 1.00 24.16 H new ATOM 622 N GLN A 40 -10.420 3.929 -2.624 1.00 11.60 N ATOM 623 CA GLN A 40 -10.860 3.538 -1.280 1.00 10.76 C ATOM 624 C GLN A 40 -9.644 3.172 -0.371 1.00 8.01 C ATOM 625 O GLN A 40 -9.764 2.959 0.805 1.00 8.96 O ATOM 626 CB GLN A 40 -11.830 2.380 -1.177 1.00 11.14 C ATOM 627 CG GLN A 40 -13.030 2.683 -2.114 1.00 14.85 C ATOM 628 CD GLN A 40 -13.828 1.440 -2.311 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.318 0.304 -2.222 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.180 1.593 -2.592 1.00 18.16 N ATOM 0 H GLN A 40 -10.296 3.128 -3.243 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.394 4.431 -0.956 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.345 1.448 -1.467 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.170 2.256 -0.149 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.655 3.465 -1.682 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.672 3.055 -3.074 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.584 2.527 -2.662 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.769 0.771 -2.728 1.00 18.16 H new ATOM 639 N GLN A 41 -8.457 3.094 -0.956 1.00 6.52 N ATOM 640 CA GLN A 41 -7.286 2.589 -0.322 1.00 3.87 C ATOM 641 C GLN A 41 -6.540 3.696 0.325 1.00 4.79 C ATOM 642 O GLN A 41 -6.138 4.696 -0.308 1.00 6.34 O ATOM 643 CB GLN A 41 -6.356 1.865 -1.296 1.00 4.20 C ATOM 644 CG GLN A 41 -6.948 0.435 -1.850 1.00 3.20 C ATOM 645 CD GLN A 41 -5.939 -0.229 -2.753 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.781 -0.480 -2.377 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.402 -0.666 -3.968 1.00 7.13 N ATOM 0 H GLN A 41 -8.296 3.395 -1.917 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.619 1.866 0.423 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.158 2.518 -2.146 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.401 1.684 -0.803 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.183 -0.220 -1.011 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.878 0.603 -2.393 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.356 -0.450 -4.258 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.793 -1.207 -4.581 1.00 7.13 H new ATOM 656 N ARG A 42 -6.271 3.569 1.643 1.00 5.73 N ATOM 657 CA ARG A 42 -5.341 4.416 2.396 1.00 6.97 C ATOM 658 C ARG A 42 -4.326 3.466 3.036 1.00 7.15 C ATOM 659 O ARG A 42 -4.600 2.591 3.897 1.00 7.33 O ATOM 660 CB ARG A 42 -5.937 5.291 3.538 1.00 13.23 C ATOM 661 CG ARG A 42 -6.745 6.488 2.973 1.00 21.27 C ATOM 662 CD ARG A 42 -7.314 7.297 4.084 1.00 26.14 C ATOM 663 NE ARG A 42 -7.698 8.594 3.482 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.409 9.477 4.180 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.997 9.300 5.370 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.530 10.714 3.641 1.00 36.39 N ATOM 0 H ARG A 42 -6.711 2.853 2.221 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.943 5.133 1.678 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.583 4.679 4.167 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.132 5.661 4.172 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.100 7.111 2.354 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.547 6.124 2.331 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.177 6.801 4.527 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.583 7.437 4.880 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.416 8.812 2.526 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.925 8.401 5.846 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.517 10.064 5.801 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.088 10.926 2.747 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.063 11.433 4.130 1.00 36.39 H new ATOM 680 N LEU A 43 -3.078 3.661 2.650 1.00 4.65 N ATOM 681 CA LEU A 43 -2.016 2.814 3.054 1.00 3.51 C ATOM 682 C LEU A 43 -1.203 3.411 4.242 1.00 5.56 C ATOM 683 O LEU A 43 -0.801 4.577 4.257 1.00 4.19 O ATOM 684 CB LEU A 43 -1.131 2.434 1.776 1.00 3.74 C ATOM 685 CG LEU A 43 -0.017 1.363 2.043 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.545 -0.057 2.348 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.934 1.181 0.870 1.00 6.41 C ATOM 0 H LEU A 43 -2.790 4.426 2.040 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.422 1.886 3.455 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.791 2.064 0.992 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.660 3.340 1.395 1.00 3.74 H new ATOM 0 HG LEU A 43 0.484 1.780 2.916 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.296 -0.729 2.519 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.173 -0.028 3.238 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.131 -0.417 1.502 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.680 0.427 1.120 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.372 0.859 -0.007 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.432 2.126 0.655 1.00 6.41 H new ATOM 699 N ILE A 44 -0.880 2.622 5.305 1.00 4.58 N ATOM 700 CA ILE A 44 -0.363 3.230 6.536 1.00 5.55 C ATOM 701 C ILE A 44 0.859 2.487 7.029 1.00 5.46 C ATOM 702 O ILE A 44 0.814 1.305 7.395 1.00 6.04 O ATOM 703 CB ILE A 44 -1.350 3.336 7.687 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.772 3.855 7.193 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.799 4.067 8.932 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.833 5.354 6.736 1.00 13.90 C ATOM 0 H ILE A 44 -0.968 1.606 5.325 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.126 4.251 6.238 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.507 2.321 8.052 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.097 3.229 6.362 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.490 3.712 8.001 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.567 4.098 9.705 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.074 3.535 9.309 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.515 5.084 8.661 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.848 5.597 6.421 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.546 5.999 7.566 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.148 5.509 5.903 1.00 13.90 H new ATOM 718 N PHE A 45 1.966 3.161 7.218 1.00 6.75 N ATOM 719 CA PHE A 45 3.164 2.518 7.613 1.00 4.70 C ATOM 720 C PHE A 45 4.029 3.538 8.327 1.00 6.34 C ATOM 721 O PHE A 45 4.087 4.688 7.991 1.00 5.45 O ATOM 722 CB PHE A 45 3.938 1.867 6.498 1.00 5.51 C ATOM 723 CG PHE A 45 5.380 1.544 6.807 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.613 0.259 7.387 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.490 2.361 6.342 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.996 -0.160 7.570 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.763 1.892 6.559 1.00 6.64 C ATOM 728 CZ PHE A 45 8.045 0.672 7.143 1.00 6.84 C ATOM 0 H PHE A 45 2.047 4.171 7.099 1.00 6.75 H new ATOM 0 HA PHE A 45 2.880 1.692 8.265 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.430 0.944 6.217 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.910 2.524 5.628 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.792 -0.379 7.679 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.319 3.304 5.843 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.215 -1.110 8.034 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.592 2.514 6.255 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.070 0.358 7.271 1.00 6.84 H new ATOM 738 N ALA A 46 4.494 3.091 9.547 1.00 6.53 N ATOM 739 CA ALA A 46 5.222 3.903 10.444 1.00 7.15 C ATOM 740 C ALA A 46 4.417 5.083 11.038 1.00 9.00 C ATOM 741 O ALA A 46 5.048 6.089 11.502 1.00 11.15 O ATOM 742 CB ALA A 46 6.504 4.355 9.881 1.00 8.99 C ATOM 0 H ALA A 46 4.344 2.141 9.886 1.00 6.53 H new ATOM 0 HA ALA A 46 5.441 3.246 11.286 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.023 4.976 10.611 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.120 3.489 9.637 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.320 4.936 8.977 1.00 8.99 H new ATOM 748 N GLY A 47 3.096 4.955 11.050 1.00 9.35 N ATOM 749 CA GLY A 47 2.212 6.077 11.422 1.00 11.68 C ATOM 750 C GLY A 47 1.894 7.092 10.348 1.00 11.14 C ATOM 751 O GLY A 47 1.234 8.115 10.575 1.00 13.93 O ATOM 0 H GLY A 47 2.605 4.094 10.809 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.271 5.661 11.782 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.669 6.604 12.260 1.00 11.68 H new ATOM 755 N LYS A 48 2.406 6.858 9.095 1.00 10.47 N ATOM 756 CA LYS A 48 2.338 7.708 7.922 1.00 8.82 C ATOM 757 C LYS A 48 1.406 7.201 6.957 1.00 7.68 C ATOM 758 O LYS A 48 1.427 6.007 6.696 1.00 6.47 O ATOM 759 CB LYS A 48 3.664 7.855 7.195 1.00 9.74 C ATOM 760 CG LYS A 48 4.907 8.408 8.007 1.00 14.14 C ATOM 761 CD LYS A 48 6.201 8.216 7.326 1.00 16.32 C ATOM 762 CE LYS A 48 7.385 8.448 8.254 1.00 20.04 C ATOM 763 NZ LYS A 48 8.666 8.343 7.510 1.00 23.92 N ATOM 0 H LYS A 48 2.911 5.994 8.896 1.00 10.47 H new ATOM 0 HA LYS A 48 2.028 8.676 8.315 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.935 6.877 6.797 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.504 8.514 6.342 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.761 9.472 8.195 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.942 7.915 8.978 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.250 7.204 6.924 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.268 8.899 6.479 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.305 9.433 8.713 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.368 7.717 9.063 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.460 8.505 8.162 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.748 7.394 7.093 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.688 9.057 6.754 1.00 23.92 H new ATOM 777 N GLN A 49 0.569 8.095 6.356 1.00 8.89 N ATOM 778 CA GLN A 49 -0.236 7.721 5.173 1.00 7.18 C ATOM 779 C GLN A 49 0.574 7.860 3.907 1.00 8.23 C ATOM 780 O GLN A 49 1.055 8.946 3.599 1.00 9.70 O ATOM 781 CB GLN A 49 -1.528 8.585 5.168 1.00 11.67 C ATOM 782 CG GLN A 49 -2.515 8.218 4.035 1.00 15.82 C ATOM 783 CD GLN A 49 -3.734 9.063 4.126 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.644 8.863 4.910 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.942 9.833 2.995 1.00 20.67 N ATOM 0 H GLN A 49 0.441 9.057 6.669 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.527 6.672 5.222 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.033 8.474 6.128 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.252 9.635 5.072 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.037 8.359 3.066 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.787 7.165 4.106 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.176 9.997 2.342 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.861 10.236 2.815 1.00 20.67 H new ATOM 794 N LEU A 50 0.832 6.744 3.194 1.00 6.51 N ATOM 795 CA LEU A 50 1.737 6.683 2.118 1.00 7.41 C ATOM 796 C LEU A 50 1.176 7.335 0.930 1.00 8.27 C ATOM 797 O LEU A 50 0.117 6.972 0.494 1.00 8.34 O ATOM 798 CB LEU A 50 2.313 5.289 1.849 1.00 7.13 C ATOM 799 CG LEU A 50 2.737 4.454 3.059 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.538 3.116 2.632 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.650 5.149 4.136 1.00 9.11 C ATOM 0 H LEU A 50 0.380 5.851 3.389 1.00 6.51 H new ATOM 0 HA LEU A 50 2.616 7.254 2.417 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.569 4.720 1.291 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.180 5.403 1.199 1.00 7.13 H new ATOM 0 HG LEU A 50 1.764 4.259 3.510 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.817 2.558 3.526 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.901 2.496 2.001 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.437 3.391 2.080 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.872 4.442 4.935 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.580 5.474 3.670 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.131 6.013 4.550 1.00 9.11 H new ATOM 813 N GLU A 51 1.838 8.417 0.371 1.00 9.43 N ATOM 814 CA GLU A 51 1.242 9.251 -0.684 1.00 11.90 C ATOM 815 C GLU A 51 1.469 8.675 -2.049 1.00 11.49 C ATOM 816 O GLU A 51 2.559 8.140 -2.320 1.00 9.88 O ATOM 817 CB GLU A 51 1.773 10.718 -0.667 1.00 16.56 C ATOM 818 CG GLU A 51 1.486 11.476 0.606 1.00 26.06 C ATOM 819 CD GLU A 51 2.279 12.756 0.792 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.453 12.715 1.301 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.767 13.896 0.443 1.00 32.13 O ATOM 0 H GLU A 51 2.775 8.708 0.649 1.00 9.43 H new ATOM 0 HA GLU A 51 0.174 9.264 -0.467 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.851 10.702 -0.830 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.332 11.260 -1.504 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.424 11.719 0.633 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.684 10.819 1.453 1.00 26.06 H new ATOM 828 N ASP A 52 0.449 8.819 -2.964 1.00 12.71 N ATOM 829 CA ASP A 52 0.277 8.256 -4.247 1.00 16.56 C ATOM 830 C ASP A 52 1.425 8.400 -5.210 1.00 15.83 C ATOM 831 O ASP A 52 1.748 7.473 -5.974 1.00 17.21 O ATOM 832 CB ASP A 52 -0.979 8.793 -4.856 1.00 21.05 C ATOM 833 CG ASP A 52 -2.231 8.236 -4.222 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.424 6.994 -4.305 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.978 8.973 -3.569 1.00 25.82 O ATOM 0 H ASP A 52 -0.344 9.419 -2.736 1.00 12.71 H new ATOM 0 HA ASP A 52 0.221 7.181 -4.073 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.985 9.879 -4.764 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.986 8.564 -5.922 1.00 21.05 H new ATOM 840 N GLY A 53 1.985 9.604 -5.293 1.00 15.00 N ATOM 841 CA GLY A 53 3.026 9.848 -6.246 1.00 11.77 C ATOM 842 C GLY A 53 4.475 9.603 -5.790 1.00 11.10 C ATOM 843 O GLY A 53 5.324 9.732 -6.653 1.00 11.25 O ATOM 0 H GLY A 53 1.730 10.405 -4.715 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.837 9.223 -7.119 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.947 10.885 -6.574 1.00 11.77 H new ATOM 847 N ARG A 54 4.712 9.202 -4.504 1.00 8.53 N ATOM 848 CA ARG A 54 6.039 8.968 -3.989 1.00 9.05 C ATOM 849 C ARG A 54 6.296 7.491 -4.094 1.00 8.96 C ATOM 850 O ARG A 54 5.395 6.749 -4.429 1.00 11.60 O ATOM 851 CB ARG A 54 6.300 9.509 -2.563 1.00 7.97 C ATOM 852 CG ARG A 54 5.424 10.738 -2.278 1.00 9.62 C ATOM 853 CD ARG A 54 5.968 11.438 -0.998 1.00 12.20 C ATOM 854 NE ARG A 54 5.124 12.579 -0.697 1.00 18.23 N ATOM 855 CZ ARG A 54 5.032 13.723 -1.367 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.877 14.159 -2.295 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.986 14.526 -1.021 1.00 23.38 N ATOM 0 H ARG A 54 3.971 9.041 -3.822 1.00 8.53 H new ATOM 0 HA ARG A 54 6.745 9.541 -4.591 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.091 8.730 -1.830 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.352 9.774 -2.456 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.445 11.424 -3.125 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.385 10.440 -2.136 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.974 10.741 -0.160 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.998 11.760 -1.152 1.00 12.20 H new ATOM 0 HE ARG A 54 4.530 12.493 0.128 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.688 13.596 -2.551 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.714 15.057 -2.752 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.338 14.233 -0.290 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.852 15.420 -1.493 1.00 23.38 H new ATOM 871 N THR A 55 7.523 7.122 -3.907 1.00 9.05 N ATOM 872 CA THR A 55 7.924 5.742 -3.989 1.00 9.03 C ATOM 873 C THR A 55 8.035 5.040 -2.654 1.00 8.15 C ATOM 874 O THR A 55 8.149 5.626 -1.522 1.00 5.91 O ATOM 875 CB THR A 55 9.228 5.499 -4.700 1.00 11.15 C ATOM 876 OG1 THR A 55 10.298 6.078 -4.078 1.00 11.95 O ATOM 877 CG2 THR A 55 9.296 6.156 -6.115 1.00 11.71 C ATOM 0 H THR A 55 8.283 7.767 -3.692 1.00 9.05 H new ATOM 0 HA THR A 55 7.101 5.327 -4.571 1.00 9.03 H new ATOM 0 HB THR A 55 9.271 4.410 -4.723 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.086 7.010 -3.862 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.263 5.941 -6.570 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.502 5.752 -6.742 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.171 7.235 -6.022 1.00 11.71 H new ATOM 885 N LEU A 56 8.030 3.690 -2.649 1.00 6.91 N ATOM 886 CA LEU A 56 8.366 2.884 -1.521 1.00 8.29 C ATOM 887 C LEU A 56 9.726 3.166 -0.876 1.00 8.05 C ATOM 888 O LEU A 56 9.853 3.230 0.349 1.00 10.17 O ATOM 889 CB LEU A 56 8.348 1.390 -1.895 1.00 6.60 C ATOM 890 CG LEU A 56 6.928 0.762 -2.134 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.841 0.484 -3.640 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.785 -0.597 -1.392 1.00 8.64 C ATOM 0 H LEU A 56 7.780 3.141 -3.471 1.00 6.91 H new ATOM 0 HA LEU A 56 7.601 3.148 -0.790 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.941 1.254 -2.799 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.843 0.830 -1.102 1.00 6.60 H new ATOM 0 HG LEU A 56 6.152 1.436 -1.772 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.871 0.044 -3.873 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.957 1.418 -4.190 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.632 -0.208 -3.929 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.793 -1.009 -1.575 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.540 -1.293 -1.758 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.922 -0.443 -0.322 1.00 8.64 H new ATOM 904 N SER A 57 10.804 3.389 -1.662 1.00 8.92 N ATOM 905 CA SER A 57 12.081 3.931 -1.215 1.00 9.00 C ATOM 906 C SER A 57 12.039 5.242 -0.527 1.00 9.44 C ATOM 907 O SER A 57 12.868 5.542 0.344 1.00 10.91 O ATOM 908 CB SER A 57 13.042 4.137 -2.432 1.00 10.32 C ATOM 909 OG SER A 57 13.482 2.905 -3.003 1.00 13.59 O ATOM 0 H SER A 57 10.794 3.184 -2.661 1.00 8.92 H new ATOM 0 HA SER A 57 12.417 3.184 -0.496 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.533 4.725 -3.196 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.909 4.714 -2.111 1.00 10.32 H new ATOM 0 HG SER A 57 14.077 3.089 -3.759 1.00 13.59 H new ATOM 915 N ASP A 58 11.039 6.116 -0.813 1.00 9.11 N ATOM 916 CA ASP A 58 10.935 7.397 -0.157 1.00 7.91 C ATOM 917 C ASP A 58 10.413 7.269 1.248 1.00 9.12 C ATOM 918 O ASP A 58 10.754 8.136 2.064 1.00 8.61 O ATOM 919 CB ASP A 58 9.885 8.320 -0.822 1.00 8.41 C ATOM 920 CG ASP A 58 10.412 8.850 -2.166 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.509 9.463 -2.266 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.652 8.718 -3.166 1.00 11.70 O ATOM 0 H ASP A 58 10.305 5.934 -1.497 1.00 9.11 H new ATOM 0 HA ASP A 58 11.948 7.797 -0.210 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.956 7.771 -0.979 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.654 9.155 -0.160 1.00 8.41 H new ATOM 927 N TYR A 59 9.733 6.065 1.487 1.00 7.97 N ATOM 928 CA TYR A 59 9.313 5.720 2.832 1.00 8.45 C ATOM 929 C TYR A 59 10.274 4.747 3.513 1.00 10.98 C ATOM 930 O TYR A 59 10.037 4.242 4.585 1.00 12.95 O ATOM 931 CB TYR A 59 7.851 5.146 2.722 1.00 7.94 C ATOM 932 CG TYR A 59 6.794 6.240 2.547 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.488 7.115 3.608 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.174 6.392 1.302 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.681 8.225 3.330 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.342 7.480 1.030 1.00 6.52 C ATOM 937 CZ TYR A 59 5.043 8.367 2.082 1.00 6.76 C ATOM 938 OH TYR A 59 4.130 9.400 1.802 1.00 7.63 O ATOM 0 H TYR A 59 9.496 5.379 0.770 1.00 7.97 H new ATOM 0 HA TYR A 59 9.325 6.604 3.470 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.798 4.458 1.878 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.624 4.568 3.618 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.864 6.935 4.604 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.343 5.651 0.534 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.545 8.985 4.085 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.939 7.637 0.040 1.00 6.52 H new ATOM 0 HH TYR A 59 4.612 10.174 1.444 1.00 7.63 H new ATOM 948 N ASN A 60 11.406 4.482 2.762 1.00 12.38 N ATOM 949 CA ASN A 60 12.524 3.666 3.095 1.00 13.94 C ATOM 950 C ASN A 60 12.198 2.134 3.322 1.00 14.16 C ATOM 951 O ASN A 60 12.735 1.561 4.243 1.00 14.26 O ATOM 952 CB ASN A 60 13.238 4.165 4.364 1.00 19.23 C ATOM 953 CG ASN A 60 13.405 5.670 4.529 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.994 6.384 3.677 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.932 6.228 5.658 1.00 24.09 N ATOM 0 H ASN A 60 11.517 4.895 1.836 1.00 12.38 H new ATOM 0 HA ASN A 60 13.158 3.751 2.213 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.690 3.790 5.228 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.229 3.711 4.394 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.051 7.228 5.822 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.454 5.651 6.350 1.00 24.09 H new ATOM 962 N ILE A 61 11.234 1.635 2.541 1.00 11.08 N ATOM 963 CA ILE A 61 10.625 0.387 2.871 1.00 11.78 C ATOM 964 C ILE A 61 11.595 -0.713 2.473 1.00 13.74 C ATOM 965 O ILE A 61 11.979 -0.759 1.344 1.00 14.60 O ATOM 966 CB ILE A 61 9.237 0.247 2.245 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.284 1.308 2.758 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.696 -1.208 2.402 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.925 1.356 2.021 1.00 11.42 C ATOM 0 H ILE A 61 10.879 2.082 1.696 1.00 11.08 H new ATOM 0 HA ILE A 61 10.438 0.317 3.943 1.00 11.78 H new ATOM 0 HB ILE A 61 9.323 0.425 1.173 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.102 1.134 3.819 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.765 2.283 2.673 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.708 -1.280 1.948 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.374 -1.904 1.907 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.628 -1.459 3.461 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.305 2.143 2.451 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.092 1.563 0.964 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.419 0.396 2.128 1.00 11.42 H new ATOM 981 N GLN A 62 11.962 -1.570 3.371 1.00 13.97 N ATOM 982 CA GLN A 62 12.822 -2.698 3.012 1.00 15.52 C ATOM 983 C GLN A 62 12.005 -3.972 2.662 1.00 13.94 C ATOM 984 O GLN A 62 10.781 -4.107 2.848 1.00 12.15 O ATOM 985 CB GLN A 62 13.798 -3.075 4.192 1.00 19.53 C ATOM 986 CG GLN A 62 14.618 -1.901 4.741 1.00 26.38 C ATOM 987 CD GLN A 62 15.864 -2.265 5.491 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.873 -2.050 6.698 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.939 -2.664 4.722 1.00 32.71 N ATOM 0 H GLN A 62 11.693 -1.529 4.354 1.00 13.97 H new ATOM 0 HA GLN A 62 13.385 -2.370 2.138 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.214 -3.505 5.006 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.483 -3.849 3.847 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.895 -1.255 3.907 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.979 -1.314 5.400 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.821 -2.816 3.720 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.851 -2.807 5.156 1.00 32.71 H new ATOM 998 N LYS A 63 12.739 -4.966 2.096 1.00 11.73 N ATOM 999 CA LYS A 63 12.248 -6.289 1.722 1.00 11.97 C ATOM 1000 C LYS A 63 11.465 -6.886 2.878 1.00 10.41 C ATOM 1001 O LYS A 63 11.889 -6.868 4.050 1.00 9.59 O ATOM 1002 CB LYS A 63 13.580 -7.162 1.493 1.00 13.73 C ATOM 1003 CG LYS A 63 13.204 -8.483 0.872 1.00 16.98 C ATOM 1004 CD LYS A 63 14.424 -9.178 0.316 1.00 20.19 C ATOM 1005 CE LYS A 63 15.434 -9.647 1.378 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.740 -10.383 2.416 1.00 25.97 N ATOM 0 H LYS A 63 13.730 -4.847 1.885 1.00 11.73 H new ATOM 0 HA LYS A 63 11.599 -6.259 0.847 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.274 -6.626 0.845 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.091 -7.325 2.442 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.726 -9.118 1.618 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.477 -8.323 0.076 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.101 -10.042 -0.265 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.929 -8.501 -0.373 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.195 -10.277 0.918 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.949 -8.789 1.809 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.373 -11.108 2.810 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.451 -9.729 3.171 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.897 -10.840 2.013 1.00 25.97 H new ATOM 1020 N GLU A 64 10.314 -7.492 2.626 1.00 10.04 N ATOM 1021 CA GLU A 64 9.466 -8.211 3.569 1.00 10.94 C ATOM 1022 C GLU A 64 8.932 -7.413 4.810 1.00 9.74 C ATOM 1023 O GLU A 64 8.399 -8.048 5.718 1.00 9.42 O ATOM 1024 CB GLU A 64 10.213 -9.526 4.047 1.00 18.31 C ATOM 1025 CG GLU A 64 10.470 -10.437 2.850 1.00 24.16 C ATOM 1026 CD GLU A 64 11.432 -11.560 3.135 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.223 -12.350 4.111 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.458 -11.705 2.412 1.00 31.72 O ATOM 0 H GLU A 64 9.918 -7.495 1.686 1.00 10.04 H new ATOM 0 HA GLU A 64 8.561 -8.430 3.003 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.156 -9.266 4.527 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.611 -10.048 4.790 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.522 -10.859 2.517 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.859 -9.838 2.027 1.00 24.16 H new ATOM 1035 N SER A 65 8.883 -6.067 4.675 1.00 6.85 N ATOM 1036 CA SER A 65 8.170 -5.304 5.585 1.00 6.90 C ATOM 1037 C SER A 65 6.665 -5.476 5.492 1.00 4.72 C ATOM 1038 O SER A 65 6.118 -5.674 4.400 1.00 3.91 O ATOM 1039 CB SER A 65 8.416 -3.770 5.533 1.00 7.28 C ATOM 1040 OG SER A 65 9.809 -3.358 5.508 1.00 10.56 O ATOM 0 H SER A 65 9.343 -5.540 3.933 1.00 6.85 H new ATOM 0 HA SER A 65 8.566 -5.705 6.518 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.922 -3.371 4.647 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.936 -3.314 6.399 1.00 7.28 H new ATOM 0 HG SER A 65 10.201 -3.582 4.638 1.00 10.56 H new ATOM 1046 N THR A 66 5.951 -5.411 6.644 1.00 4.48 N ATOM 1047 CA THR A 66 4.506 -5.380 6.845 1.00 3.80 C ATOM 1048 C THR A 66 3.907 -3.964 6.787 1.00 4.60 C ATOM 1049 O THR A 66 4.398 -3.081 7.447 1.00 5.33 O ATOM 1050 CB THR A 66 4.020 -6.032 8.142 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.500 -7.375 8.133 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.491 -6.136 8.220 1.00 3.40 C ATOM 0 H THR A 66 6.438 -5.376 7.540 1.00 4.48 H new ATOM 0 HA THR A 66 4.151 -5.973 6.003 1.00 3.80 H new ATOM 0 HB THR A 66 4.375 -5.426 8.975 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.211 -7.831 8.951 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.206 -6.606 9.161 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.055 -5.138 8.166 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.124 -6.737 7.388 1.00 3.40 H new ATOM 1060 N LEU A 67 2.913 -3.665 5.902 1.00 4.17 N ATOM 1061 CA LEU A 67 2.385 -2.301 5.836 1.00 3.85 C ATOM 1062 C LEU A 67 0.921 -2.472 6.112 1.00 3.80 C ATOM 1063 O LEU A 67 0.291 -3.444 5.723 1.00 5.54 O ATOM 1064 CB LEU A 67 2.630 -1.698 4.394 1.00 7.18 C ATOM 1065 CG LEU A 67 3.981 -1.893 3.743 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.863 -1.208 2.439 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.048 -1.133 4.588 1.00 11.66 C ATOM 0 H LEU A 67 2.486 -4.330 5.256 1.00 4.17 H new ATOM 0 HA LEU A 67 2.860 -1.616 6.539 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.878 -2.121 3.727 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.441 -0.626 4.448 1.00 7.18 H new ATOM 0 HG LEU A 67 4.262 -2.943 3.655 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.803 -1.298 1.894 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.062 -1.666 1.859 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.637 -0.154 2.601 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.031 -1.262 4.134 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.799 -0.072 4.620 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.061 -1.533 5.602 1.00 11.66 H new ATOM 1079 N HIS A 68 0.214 -1.539 6.794 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.175 -1.703 7.117 1.00 4.17 C ATOM 1081 C HIS A 68 -2.077 -0.975 6.118 1.00 5.32 C ATOM 1082 O HIS A 68 -1.828 0.138 5.666 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.568 -0.964 8.405 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.500 -1.223 9.418 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.535 -0.293 9.630 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.461 -2.127 10.426 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.173 -0.801 10.711 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.630 -1.903 11.190 1.00 16.30 N ATOM 0 H HIS A 68 0.615 -0.661 7.124 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.299 -2.785 7.157 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.667 0.105 8.218 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.534 -1.315 8.768 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.751 0.552 9.101 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.190 -2.906 10.593 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.050 -0.343 11.143 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.203 -1.671 5.856 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.181 -1.122 4.889 1.00 3.97 C ATOM 1098 C LEU A 69 -5.452 -0.673 5.696 1.00 5.07 C ATOM 1099 O LEU A 69 -6.100 -1.508 6.354 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.417 -2.129 3.750 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.430 -1.777 2.648 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.955 -0.544 1.803 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.722 -2.966 1.686 1.00 9.96 C ATOM 0 H LEU A 69 -3.452 -2.567 6.274 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.817 -0.232 4.376 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.457 -2.314 3.269 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.734 -3.069 4.201 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.353 -1.531 3.173 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.695 -0.323 1.034 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.841 0.322 2.455 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.999 -0.772 1.332 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.444 -2.654 0.931 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.797 -3.275 1.198 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.129 -3.802 2.254 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.829 0.561 5.512 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.096 1.180 5.955 1.00 6.26 C ATOM 1117 C VAL A 70 -7.996 1.422 4.746 1.00 9.22 C ATOM 1118 O VAL A 70 -7.577 1.918 3.705 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.779 2.496 6.692 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.087 3.285 6.962 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.043 2.202 8.021 1.00 8.54 C ATOM 0 H VAL A 70 -5.235 1.226 5.017 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.625 0.517 6.640 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.129 3.103 6.063 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.851 4.213 7.483 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.575 3.515 6.015 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.755 2.683 7.578 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.825 3.140 8.531 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.674 1.581 8.657 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.111 1.677 7.812 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.290 1.097 4.840 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.207 1.312 3.727 1.00 16.06 C ATOM 1133 C LEU A 71 -11.149 2.436 4.039 1.00 18.09 C ATOM 1134 O LEU A 71 -11.790 2.503 5.112 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.918 0.006 3.373 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.016 -1.040 2.716 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.979 -2.190 2.369 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.282 -0.563 1.465 1.00 19.57 C ATOM 0 H LEU A 71 -9.719 0.688 5.670 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.650 1.614 2.840 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.347 -0.419 4.281 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.748 0.227 2.702 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.207 -1.315 3.393 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.425 -2.997 1.889 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.445 -2.562 3.281 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.750 -1.826 1.690 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.669 -1.374 1.072 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.008 -0.259 0.711 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.645 0.284 1.718 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.280 3.326 3.097 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.769 4.704 3.271 1.00 25.83 C ATOM 1152 C ARG A 72 -13.312 4.692 3.168 1.00 27.74 C ATOM 1153 O ARG A 72 -13.945 5.659 3.556 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.235 5.614 2.124 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.400 7.147 2.375 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.630 8.007 1.380 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.900 9.441 1.688 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.322 10.498 1.132 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.558 10.202 0.046 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.483 11.752 1.561 1.00 35.02 N ATOM 0 H ARG A 72 -11.041 3.119 2.127 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.430 5.081 4.236 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.178 5.397 1.969 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.753 5.353 1.201 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.458 7.405 2.325 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.062 7.381 3.385 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.562 7.800 1.447 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.937 7.774 0.360 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.604 9.629 2.402 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.472 9.236 -0.269 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.071 10.946 -0.453 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.082 11.943 2.364 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.007 12.519 1.085 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.888 3.553 2.739 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.253 3.172 2.836 1.00 30.76 C ATOM 1176 C LEU A 73 -16.181 3.979 3.770 1.00 32.18 C ATOM 1177 O LEU A 73 -15.873 4.102 4.961 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.366 1.694 3.129 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.777 0.665 2.150 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.735 -0.784 2.699 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.518 0.615 0.794 1.00 29.11 C ATOM 0 H LEU A 73 -13.333 2.832 2.279 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.639 3.425 1.848 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.901 1.520 4.099 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.426 1.466 3.238 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.759 1.028 2.011 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.306 -1.446 1.947 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.123 -0.814 3.600 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -15.747 -1.112 2.937 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.051 -0.131 0.151 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.562 0.349 0.959 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.464 1.592 0.314 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.290 4.552 3.287 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.931 5.621 3.948 1.00 35.33 C ATOM 1195 C ARG A 74 -19.153 5.141 4.781 1.00 36.22 C ATOM 1196 O ARG A 74 -19.808 5.947 5.443 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.286 6.674 2.917 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.120 7.128 2.023 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.197 8.187 2.683 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.168 8.337 1.549 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.811 9.506 1.000 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.918 10.655 1.592 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.373 9.421 -0.289 1.00 41.93 N ATOM 0 H ARG A 74 -17.745 4.263 2.421 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.256 6.065 4.680 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.081 6.285 2.281 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.689 7.545 3.434 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.522 6.258 1.752 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.523 7.538 1.097 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.716 9.119 2.908 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.751 7.837 3.614 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.728 7.489 1.191 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.295 10.708 2.538 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.625 11.506 1.111 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.338 8.515 -0.757 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.081 10.263 -0.785 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.467 3.856 4.929 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.307 3.303 6.044 1.00 36.07 C ATOM 1219 C GLY A 75 -19.601 3.156 7.380 1.00 36.16 C ATOM 1220 O GLY A 75 -20.243 2.845 8.385 1.00 36.26 O ATOM 0 H GLY A 75 -19.150 3.138 4.277 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.173 3.951 6.179 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -20.684 2.326 5.742 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.332 3.442 7.402 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.434 3.478 8.594 1.00 36.19 C ATOM 1226 C GLY A 76 -16.443 2.274 8.610 1.00 36.20 C ATOM 1227 O GLY A 76 -15.204 2.662 8.609 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.800 1.075 8.606 1.00 0.00 O ATOM 0 H GLY A 76 -17.831 3.677 6.545 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.871 4.412 8.597 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -18.036 3.465 9.503 1.00 36.19 H new TER 1232 GLY A 76