USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 138:sc= 0.785 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.51 USER MOD Set 2.1: A 22 THR OG1 : rot -42:sc= 0.239 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.36 K(o=1.6,f=-5.8!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.0244 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -126:sc= 1.35 (180deg=-0.0609) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.33 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= 2.47 (180deg=2.16) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -111:sc= 0.716 (180deg=0.216) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 1.38 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.974 K(o=-0.97,f=-4.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0715 K(o=-0.072,f=-2.3!) USER MOD Single : A 41 GLN : amide:sc= 0.298 K(o=0.3,f=-2.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.851 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 1.15 (180deg=1.12) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.88! K(o=-1.9!,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.082 -7.478 -5.225 1.00 9.67 N ATOM 2 CA MET A 1 11.084 -7.254 -3.731 1.00 10.38 C ATOM 3 C MET A 1 9.713 -7.548 -3.180 1.00 9.62 C ATOM 4 O MET A 1 8.675 -7.229 -3.781 1.00 9.62 O ATOM 5 CB MET A 1 11.472 -5.781 -3.479 1.00 13.77 C ATOM 6 CG MET A 1 11.619 -5.445 -1.981 1.00 16.29 C ATOM 7 SD MET A 1 12.630 -3.975 -1.574 1.00 17.17 S ATOM 8 CE MET A 1 11.233 -2.751 -1.746 1.00 16.11 C ATOM 0 H1 MET A 1 12.020 -7.810 -5.527 1.00 9.67 H new ATOM 0 H2 MET A 1 10.367 -8.193 -5.468 1.00 9.67 H new ATOM 0 H3 MET A 1 10.858 -6.585 -5.710 1.00 9.67 H new ATOM 0 HA MET A 1 11.796 -7.913 -3.235 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.412 -5.566 -3.988 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.716 -5.131 -3.919 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.622 -5.301 -1.564 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.054 -6.309 -1.478 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.602 -1.746 -1.541 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.836 -2.792 -2.760 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.443 -2.999 -1.037 1.00 16.11 H new ATOM 20 N GLN A 2 9.748 -8.244 -2.049 1.00 9.27 N ATOM 21 CA GLN A 2 8.529 -8.780 -1.343 1.00 9.07 C ATOM 22 C GLN A 2 8.166 -7.868 -0.172 1.00 8.72 C ATOM 23 O GLN A 2 8.998 -7.656 0.675 1.00 8.22 O ATOM 24 CB GLN A 2 8.697 -10.262 -0.924 1.00 14.46 C ATOM 25 CG GLN A 2 7.531 -10.919 -0.181 1.00 17.01 C ATOM 26 CD GLN A 2 7.714 -12.442 -0.152 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.388 -12.914 0.792 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.193 -13.156 -1.196 1.00 19.49 N ATOM 0 H GLN A 2 10.620 -8.469 -1.570 1.00 9.27 H new ATOM 0 HA GLN A 2 7.693 -8.775 -2.042 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.896 -10.846 -1.823 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.583 -10.336 -0.293 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.474 -10.533 0.837 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.590 -10.667 -0.670 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.655 -12.681 -1.921 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.342 -14.164 -1.250 1.00 19.49 H new ATOM 37 N ILE A 3 6.965 -7.251 -0.254 1.00 5.87 N ATOM 38 CA ILE A 3 6.427 -6.458 0.798 1.00 5.07 C ATOM 39 C ILE A 3 5.094 -7.130 1.097 1.00 4.01 C ATOM 40 O ILE A 3 4.510 -7.799 0.291 1.00 4.61 O ATOM 41 CB ILE A 3 6.289 -4.915 0.573 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.306 -4.585 -0.596 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.648 -4.265 0.575 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.079 -3.089 -0.694 1.00 10.83 C ATOM 0 H ILE A 3 6.361 -7.310 -1.074 1.00 5.87 H new ATOM 0 HA ILE A 3 7.134 -6.442 1.627 1.00 5.07 H new ATOM 0 HB ILE A 3 5.786 -4.437 1.413 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.711 -4.959 -1.536 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.355 -5.093 -0.434 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.538 -3.192 0.418 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.135 -4.443 1.534 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.255 -4.689 -0.225 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.392 -2.878 -1.514 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.652 -2.724 0.240 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.029 -2.588 -0.879 1.00 10.83 H new ATOM 56 N PHE A 4 4.548 -6.906 2.301 1.00 4.55 N ATOM 57 CA PHE A 4 3.272 -7.460 2.825 1.00 4.68 C ATOM 58 C PHE A 4 2.268 -6.427 3.219 1.00 5.30 C ATOM 59 O PHE A 4 2.651 -5.432 3.722 1.00 5.58 O ATOM 60 CB PHE A 4 3.626 -8.292 4.047 1.00 4.83 C ATOM 61 CG PHE A 4 4.644 -9.361 3.857 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.286 -10.452 3.079 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.924 -9.368 4.447 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.140 -11.596 2.966 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.793 -10.436 4.366 1.00 10.61 C ATOM 66 CZ PHE A 4 6.436 -11.541 3.595 1.00 8.90 C ATOM 0 H PHE A 4 5.005 -6.299 2.982 1.00 4.55 H new ATOM 0 HA PHE A 4 2.805 -8.037 2.027 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.982 -7.618 4.826 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.712 -8.755 4.420 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.345 -10.439 2.548 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.241 -8.491 4.991 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.822 -12.475 2.425 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.736 -10.416 4.892 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.132 -12.357 3.469 1.00 8.90 H new ATOM 76 N VAL A 5 0.943 -6.716 3.107 1.00 4.44 N ATOM 77 CA VAL A 5 -0.007 -5.677 3.478 1.00 3.87 C ATOM 78 C VAL A 5 -1.068 -6.288 4.384 1.00 4.93 C ATOM 79 O VAL A 5 -1.768 -7.280 4.036 1.00 6.84 O ATOM 80 CB VAL A 5 -0.747 -5.057 2.258 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.496 -3.795 2.633 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.181 -4.858 0.958 1.00 9.13 C ATOM 0 H VAL A 5 0.546 -7.599 2.785 1.00 4.44 H new ATOM 0 HA VAL A 5 0.565 -4.889 3.967 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.488 -5.799 1.960 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.998 -3.395 1.752 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.236 -4.025 3.400 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.793 -3.056 3.017 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.410 -4.421 0.153 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.010 -4.194 1.201 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.572 -5.824 0.639 1.00 9.13 H new ATOM 92 N LYS A 6 -1.185 -5.735 5.604 1.00 6.04 N ATOM 93 CA LYS A 6 -2.137 -6.229 6.548 1.00 6.12 C ATOM 94 C LYS A 6 -3.593 -5.594 6.517 1.00 6.57 C ATOM 95 O LYS A 6 -3.797 -4.396 6.515 1.00 5.76 O ATOM 96 CB LYS A 6 -1.643 -6.011 8.005 1.00 7.45 C ATOM 97 CG LYS A 6 -2.548 -6.592 9.114 1.00 11.12 C ATOM 98 CD LYS A 6 -2.637 -8.130 9.060 1.00 14.54 C ATOM 99 CE LYS A 6 -1.355 -8.854 9.396 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.681 -10.244 9.535 1.00 20.55 N ATOM 0 H LYS A 6 -0.624 -4.950 5.935 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.217 -7.273 6.245 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.651 -6.453 8.103 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.533 -4.940 8.175 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.164 -6.288 10.088 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.549 -6.170 9.020 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.414 -8.459 9.750 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.953 -8.426 8.060 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.613 -8.709 8.611 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.923 -8.465 10.318 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.348 -10.588 10.458 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.712 -10.367 9.470 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.220 -10.786 8.777 1.00 20.55 H new ATOM 114 N THR A 7 -4.670 -6.434 6.445 1.00 7.41 N ATOM 115 CA THR A 7 -6.063 -5.911 6.339 1.00 7.48 C ATOM 116 C THR A 7 -6.679 -5.877 7.711 1.00 8.75 C ATOM 117 O THR A 7 -6.146 -6.371 8.712 1.00 8.58 O ATOM 118 CB THR A 7 -6.956 -6.680 5.431 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.582 -7.833 5.961 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.152 -7.046 4.082 1.00 9.17 C ATOM 0 H THR A 7 -4.601 -7.452 6.458 1.00 7.41 H new ATOM 0 HA THR A 7 -5.974 -4.917 5.901 1.00 7.48 H new ATOM 0 HB THR A 7 -7.794 -6.010 5.242 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.141 -8.248 5.271 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.802 -7.610 3.413 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.832 -6.128 3.589 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.278 -7.648 4.331 1.00 9.17 H new ATOM 128 N LEU A 8 -7.896 -5.280 7.923 1.00 9.84 N ATOM 129 CA LEU A 8 -8.703 -5.281 9.166 1.00 14.15 C ATOM 130 C LEU A 8 -9.242 -6.666 9.579 1.00 17.37 C ATOM 131 O LEU A 8 -9.434 -6.987 10.785 1.00 17.01 O ATOM 132 CB LEU A 8 -9.898 -4.266 9.233 1.00 16.63 C ATOM 133 CG LEU A 8 -9.502 -2.812 8.878 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.716 -1.872 8.965 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.399 -2.293 9.819 1.00 18.59 C ATOM 0 H LEU A 8 -8.357 -4.757 7.179 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.945 -4.946 9.873 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.682 -4.596 8.551 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.321 -4.283 10.237 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.127 -2.822 7.855 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.409 -0.857 8.711 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.484 -2.205 8.267 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.116 -1.887 9.979 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.140 -1.270 9.547 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.758 -2.315 10.848 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.516 -2.926 9.729 1.00 18.59 H new ATOM 147 N THR A 9 -9.359 -7.668 8.652 1.00 18.33 N ATOM 148 CA THR A 9 -9.832 -8.983 8.976 1.00 19.24 C ATOM 149 C THR A 9 -8.584 -9.879 9.347 1.00 19.48 C ATOM 150 O THR A 9 -8.709 -10.983 9.808 1.00 23.14 O ATOM 151 CB THR A 9 -10.725 -9.634 7.945 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.127 -9.465 6.659 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.097 -8.874 8.009 1.00 19.70 C ATOM 0 H THR A 9 -9.118 -7.549 7.668 1.00 18.33 H new ATOM 0 HA THR A 9 -10.502 -8.880 9.830 1.00 19.24 H new ATOM 0 HB THR A 9 -10.865 -10.699 8.128 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.693 -9.883 5.977 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.785 -9.304 7.281 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.520 -8.970 9.009 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.940 -7.820 7.781 1.00 19.70 H new ATOM 161 N GLY A 10 -7.368 -9.278 9.210 1.00 19.43 N ATOM 162 CA GLY A 10 -6.177 -9.906 9.648 1.00 18.74 C ATOM 163 C GLY A 10 -5.414 -10.552 8.525 1.00 17.62 C ATOM 164 O GLY A 10 -4.274 -11.031 8.738 1.00 19.74 O ATOM 0 H GLY A 10 -7.231 -8.357 8.793 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.541 -9.168 10.137 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.423 -10.660 10.396 1.00 18.74 H new ATOM 168 N LYS A 11 -5.915 -10.511 7.296 1.00 13.56 N ATOM 169 CA LYS A 11 -5.260 -11.066 6.136 1.00 11.91 C ATOM 170 C LYS A 11 -4.029 -10.241 5.779 1.00 10.18 C ATOM 171 O LYS A 11 -4.009 -9.027 5.836 1.00 9.10 O ATOM 172 CB LYS A 11 -6.319 -11.116 5.014 1.00 13.43 C ATOM 173 CG LYS A 11 -5.757 -11.718 3.706 1.00 16.69 C ATOM 174 CD LYS A 11 -6.707 -11.815 2.513 1.00 17.92 C ATOM 175 CE LYS A 11 -6.045 -12.420 1.244 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.029 -12.592 0.149 1.00 21.93 N ATOM 0 H LYS A 11 -6.813 -10.077 7.082 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.885 -12.074 6.313 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.171 -11.708 5.347 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.687 -10.109 4.819 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.896 -11.122 3.404 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.390 -12.720 3.927 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.566 -12.425 2.791 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.085 -10.820 2.277 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.236 -11.771 0.909 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.599 -13.384 1.489 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.197 -13.606 -0.011 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.923 -12.130 0.410 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.658 -12.161 -0.722 1.00 21.93 H new ATOM 190 N THR A 12 -2.966 -10.991 5.362 1.00 9.63 N ATOM 191 CA THR A 12 -1.848 -10.330 4.758 1.00 9.85 C ATOM 192 C THR A 12 -1.803 -10.601 3.278 1.00 11.66 C ATOM 193 O THR A 12 -1.690 -11.736 2.823 1.00 12.33 O ATOM 194 CB THR A 12 -0.589 -10.917 5.383 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.643 -10.662 6.788 1.00 10.91 O ATOM 196 CG2 THR A 12 0.620 -10.135 4.933 1.00 9.63 C ATOM 0 H THR A 12 -2.891 -12.005 5.442 1.00 9.63 H new ATOM 0 HA THR A 12 -1.927 -9.255 4.916 1.00 9.85 H new ATOM 0 HB THR A 12 -0.528 -11.972 5.115 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.156 -11.031 7.218 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.517 -10.560 5.384 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.701 -10.184 3.847 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.517 -9.095 5.243 1.00 9.63 H new ATOM 204 N ILE A 13 -1.576 -9.547 2.512 1.00 10.42 N ATOM 205 CA ILE A 13 -1.422 -9.596 1.051 1.00 11.84 C ATOM 206 C ILE A 13 0.099 -9.757 0.774 1.00 10.55 C ATOM 207 O ILE A 13 0.937 -9.146 1.370 1.00 11.92 O ATOM 208 CB ILE A 13 -1.951 -8.337 0.352 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.314 -7.906 0.979 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.202 -8.693 -1.144 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.925 -6.672 0.305 1.00 16.46 C ATOM 0 H ILE A 13 -1.490 -8.604 2.891 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.007 -10.425 0.653 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.229 -7.528 0.460 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.017 -8.736 0.909 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.170 -7.699 2.039 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.580 -7.815 -1.668 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.268 -9.016 -1.603 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.935 -9.497 -1.209 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.871 -6.425 0.787 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.239 -5.830 0.398 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.100 -6.883 -0.750 1.00 16.46 H new ATOM 223 N THR A 14 0.485 -10.717 -0.138 1.00 9.39 N ATOM 224 CA THR A 14 1.831 -10.975 -0.548 1.00 9.63 C ATOM 225 C THR A 14 1.926 -10.225 -1.860 1.00 11.20 C ATOM 226 O THR A 14 1.237 -10.563 -2.860 1.00 11.63 O ATOM 227 CB THR A 14 2.178 -12.405 -0.902 1.00 10.38 C ATOM 228 OG1 THR A 14 1.888 -13.370 0.181 1.00 16.30 O ATOM 229 CG2 THR A 14 3.684 -12.545 -1.205 1.00 11.66 C ATOM 0 H THR A 14 -0.189 -11.329 -0.597 1.00 9.39 H new ATOM 0 HA THR A 14 2.489 -10.702 0.277 1.00 9.63 H new ATOM 0 HB THR A 14 1.557 -12.632 -1.769 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.132 -14.273 -0.111 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.910 -13.581 -1.457 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.948 -11.902 -2.045 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.260 -12.251 -0.328 1.00 11.66 H new ATOM 237 N LEU A 15 2.870 -9.175 -1.888 1.00 8.29 N ATOM 238 CA LEU A 15 3.084 -8.398 -3.048 1.00 9.03 C ATOM 239 C LEU A 15 4.467 -8.545 -3.612 1.00 8.59 C ATOM 240 O LEU A 15 5.410 -8.756 -2.894 1.00 7.79 O ATOM 241 CB LEU A 15 2.803 -6.914 -2.782 1.00 11.08 C ATOM 242 CG LEU A 15 1.353 -6.622 -2.524 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.225 -5.140 -2.531 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.394 -7.233 -3.553 1.00 15.27 C ATOM 0 H LEU A 15 3.450 -8.910 -1.092 1.00 8.29 H new ATOM 0 HA LEU A 15 2.382 -8.781 -3.789 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.391 -6.588 -1.924 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.138 -6.329 -3.638 1.00 11.08 H new ATOM 0 HG LEU A 15 1.068 -7.074 -1.574 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.187 -4.864 -2.348 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.857 -4.717 -1.750 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.538 -4.752 -3.501 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.632 -6.974 -3.292 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.626 -6.842 -4.544 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.505 -8.317 -3.555 1.00 15.27 H new ATOM 256 N GLU A 16 4.600 -8.312 -4.885 1.00 11.04 N ATOM 257 CA GLU A 16 5.894 -8.249 -5.598 1.00 11.50 C ATOM 258 C GLU A 16 6.111 -6.844 -6.245 1.00 10.13 C ATOM 259 O GLU A 16 5.334 -6.380 -7.119 1.00 9.83 O ATOM 260 CB GLU A 16 6.045 -9.389 -6.652 1.00 17.22 C ATOM 261 CG GLU A 16 7.500 -9.597 -7.191 1.00 23.33 C ATOM 262 CD GLU A 16 8.489 -10.037 -6.192 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.252 -11.035 -5.428 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.579 -9.452 -6.130 1.00 28.90 O ATOM 0 H GLU A 16 3.800 -8.152 -5.497 1.00 11.04 H new ATOM 0 HA GLU A 16 6.676 -8.403 -4.855 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.700 -10.323 -6.208 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.388 -9.175 -7.495 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.469 -10.333 -7.995 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.844 -8.660 -7.629 1.00 23.33 H new ATOM 271 N VAL A 17 7.166 -6.085 -5.746 1.00 8.99 N ATOM 272 CA VAL A 17 7.334 -4.658 -6.051 1.00 8.85 C ATOM 273 C VAL A 17 8.880 -4.429 -6.267 1.00 8.04 C ATOM 274 O VAL A 17 9.649 -5.366 -6.028 1.00 8.99 O ATOM 275 CB VAL A 17 6.881 -3.754 -4.926 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.278 -3.818 -4.972 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.481 -4.134 -3.597 1.00 10.54 C ATOM 0 H VAL A 17 7.891 -6.465 -5.138 1.00 8.99 H new ATOM 0 HA VAL A 17 6.728 -4.413 -6.923 1.00 8.85 H new ATOM 0 HB VAL A 17 7.228 -2.728 -5.052 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.866 -3.187 -4.185 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.927 -3.464 -5.941 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.950 -4.847 -4.821 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.121 -3.452 -2.827 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.189 -5.153 -3.344 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.568 -4.072 -3.657 1.00 10.54 H new ATOM 287 N GLU A 18 9.282 -3.206 -6.583 1.00 7.29 N ATOM 288 CA GLU A 18 10.653 -2.672 -6.598 1.00 7.08 C ATOM 289 C GLU A 18 10.813 -1.382 -5.804 1.00 6.45 C ATOM 290 O GLU A 18 9.803 -0.721 -5.545 1.00 5.28 O ATOM 291 CB GLU A 18 11.047 -2.395 -8.077 1.00 10.28 C ATOM 292 CG GLU A 18 10.915 -3.634 -8.931 1.00 12.65 C ATOM 293 CD GLU A 18 11.425 -3.280 -10.330 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.688 -3.141 -10.536 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.656 -3.233 -11.290 1.00 14.33 O ATOM 0 H GLU A 18 8.606 -2.495 -6.860 1.00 7.29 H new ATOM 0 HA GLU A 18 11.297 -3.415 -6.127 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.413 -1.605 -8.481 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.074 -2.032 -8.118 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.493 -4.456 -8.508 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.877 -3.963 -8.973 1.00 12.65 H new ATOM 302 N PRO A 19 11.960 -0.935 -5.333 1.00 7.24 N ATOM 303 CA PRO A 19 12.057 0.268 -4.486 1.00 7.07 C ATOM 304 C PRO A 19 11.549 1.524 -5.126 1.00 6.65 C ATOM 305 O PRO A 19 10.984 2.390 -4.466 1.00 6.37 O ATOM 306 CB PRO A 19 13.528 0.319 -4.153 1.00 7.61 C ATOM 307 CG PRO A 19 14.026 -1.090 -4.129 1.00 8.16 C ATOM 308 CD PRO A 19 13.154 -1.793 -5.176 1.00 7.49 C ATOM 0 HA PRO A 19 11.415 0.205 -3.607 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.070 0.906 -4.895 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.687 0.800 -3.188 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.084 -1.147 -4.384 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.911 -1.540 -3.143 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.686 -1.902 -6.121 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.877 -2.795 -4.848 1.00 7.49 H new ATOM 316 N SER A 20 11.782 1.708 -6.463 1.00 6.80 N ATOM 317 CA SER A 20 11.274 2.882 -7.247 1.00 6.28 C ATOM 318 C SER A 20 9.798 2.833 -7.525 1.00 8.45 C ATOM 319 O SER A 20 9.286 3.824 -8.039 1.00 7.26 O ATOM 320 CB SER A 20 11.941 2.965 -8.678 1.00 8.57 C ATOM 321 OG SER A 20 13.359 3.043 -8.711 1.00 11.13 O ATOM 0 H SER A 20 12.324 1.051 -7.025 1.00 6.80 H new ATOM 0 HA SER A 20 11.522 3.734 -6.613 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.634 2.089 -9.249 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.539 3.838 -9.192 1.00 8.57 H new ATOM 0 HG SER A 20 13.663 3.088 -9.642 1.00 11.13 H new ATOM 327 N ASP A 21 9.074 1.737 -7.198 1.00 7.50 N ATOM 328 CA ASP A 21 7.598 1.792 -7.269 1.00 7.70 C ATOM 329 C ASP A 21 7.003 2.819 -6.406 1.00 7.08 C ATOM 330 O ASP A 21 7.492 3.123 -5.306 1.00 8.11 O ATOM 331 CB ASP A 21 7.049 0.419 -7.053 1.00 11.00 C ATOM 332 CG ASP A 21 7.415 -0.530 -8.238 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.519 -0.024 -9.396 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.427 -1.777 -8.066 1.00 18.03 O ATOM 0 H ASP A 21 9.465 0.845 -6.896 1.00 7.50 H new ATOM 0 HA ASP A 21 7.310 2.120 -8.268 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.442 0.010 -6.122 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.965 0.471 -6.947 1.00 11.00 H new ATOM 339 N THR A 22 5.935 3.423 -6.907 1.00 5.37 N ATOM 340 CA THR A 22 5.189 4.429 -6.157 1.00 6.01 C ATOM 341 C THR A 22 3.974 3.707 -5.471 1.00 8.01 C ATOM 342 O THR A 22 3.630 2.612 -5.864 1.00 8.11 O ATOM 343 CB THR A 22 4.855 5.666 -6.937 1.00 8.92 C ATOM 344 OG1 THR A 22 4.093 5.342 -8.032 1.00 10.22 O ATOM 345 CG2 THR A 22 6.026 6.469 -7.389 1.00 9.65 C ATOM 0 H THR A 22 5.562 3.233 -7.837 1.00 5.37 H new ATOM 0 HA THR A 22 5.822 4.852 -5.377 1.00 6.01 H new ATOM 0 HB THR A 22 4.308 6.296 -6.236 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.450 4.531 -8.451 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.677 7.341 -7.943 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.600 6.796 -6.522 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.659 5.859 -8.033 1.00 9.65 H new ATOM 353 N ILE A 23 3.334 4.420 -4.569 1.00 8.32 N ATOM 354 CA ILE A 23 2.173 3.959 -3.838 1.00 9.92 C ATOM 355 C ILE A 23 0.985 3.710 -4.781 1.00 10.01 C ATOM 356 O ILE A 23 0.215 2.751 -4.628 1.00 8.71 O ATOM 357 CB ILE A 23 1.877 4.875 -2.715 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.048 4.952 -1.685 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.486 4.603 -2.128 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.163 3.684 -0.897 1.00 12.30 C ATOM 0 H ILE A 23 3.617 5.367 -4.316 1.00 8.32 H new ATOM 0 HA ILE A 23 2.387 2.989 -3.389 1.00 9.92 H new ATOM 0 HB ILE A 23 1.818 5.893 -3.101 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.984 5.143 -2.209 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.885 5.790 -1.008 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.297 5.292 -1.305 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.269 4.746 -2.901 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.440 3.578 -1.761 1.00 10.90 H new ATOM 0 HD11 ILE A 23 3.987 3.769 -0.189 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.235 3.508 -0.354 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.351 2.851 -1.574 1.00 12.30 H new ATOM 372 N GLU A 24 0.910 4.498 -5.878 1.00 9.54 N ATOM 373 CA GLU A 24 0.081 4.305 -7.009 1.00 11.81 C ATOM 374 C GLU A 24 0.235 2.947 -7.698 1.00 11.14 C ATOM 375 O GLU A 24 -0.754 2.345 -8.150 1.00 10.62 O ATOM 376 CB GLU A 24 0.363 5.523 -7.970 1.00 19.24 C ATOM 377 CG GLU A 24 -0.607 5.576 -9.238 1.00 27.76 C ATOM 378 CD GLU A 24 -0.370 6.814 -9.981 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.856 7.128 -10.284 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.308 7.529 -10.466 1.00 36.51 O ATOM 0 H GLU A 24 1.484 5.337 -5.966 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.962 4.279 -6.695 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.261 6.451 -7.407 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.396 5.471 -8.315 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.430 4.714 -9.881 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.647 5.526 -8.916 1.00 27.76 H new ATOM 387 N ASN A 25 1.497 2.432 -7.811 1.00 9.43 N ATOM 388 CA ASN A 25 1.844 1.155 -8.350 1.00 10.96 C ATOM 389 C ASN A 25 1.481 0.071 -7.314 1.00 9.68 C ATOM 390 O ASN A 25 1.051 -1.011 -7.674 1.00 9.33 O ATOM 391 CB ASN A 25 3.310 1.000 -8.593 1.00 16.78 C ATOM 392 CG ASN A 25 3.822 2.015 -9.646 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.764 2.759 -9.353 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.192 2.062 -10.838 1.00 24.70 N ATOM 0 H ASN A 25 2.316 2.955 -7.501 1.00 9.43 H new ATOM 0 HA ASN A 25 1.308 1.062 -9.294 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.852 1.140 -7.658 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.518 -0.015 -8.933 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.489 2.734 -11.546 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.419 1.426 -11.032 1.00 24.70 H new ATOM 401 N VAL A 26 1.615 0.269 -5.953 1.00 6.52 N ATOM 402 CA VAL A 26 1.168 -0.640 -4.964 1.00 5.53 C ATOM 403 C VAL A 26 -0.310 -0.799 -4.948 1.00 4.42 C ATOM 404 O VAL A 26 -0.820 -1.923 -4.974 1.00 3.40 O ATOM 405 CB VAL A 26 1.735 -0.273 -3.596 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.375 -1.375 -2.567 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.294 -0.188 -3.647 1.00 8.12 C ATOM 0 H VAL A 26 2.055 1.102 -5.561 1.00 6.52 H new ATOM 0 HA VAL A 26 1.557 -1.623 -5.229 1.00 5.53 H new ATOM 0 HB VAL A 26 1.312 0.690 -3.311 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.782 -1.109 -1.591 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.291 -1.466 -2.496 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.798 -2.326 -2.889 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.677 0.075 -2.661 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.701 -1.153 -3.949 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.594 0.573 -4.367 1.00 8.12 H new ATOM 417 N LYS A 27 -1.062 0.351 -4.970 1.00 2.64 N ATOM 418 CA LYS A 27 -2.528 0.242 -4.970 1.00 4.14 C ATOM 419 C LYS A 27 -3.126 -0.451 -6.150 1.00 5.58 C ATOM 420 O LYS A 27 -4.119 -1.160 -6.092 1.00 4.11 O ATOM 421 CB LYS A 27 -3.170 1.651 -4.774 1.00 3.97 C ATOM 422 CG LYS A 27 -2.882 2.375 -3.393 1.00 7.45 C ATOM 423 CD LYS A 27 -3.377 3.847 -3.381 1.00 9.02 C ATOM 424 CE LYS A 27 -3.155 4.523 -1.982 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.747 5.858 -2.013 1.00 15.47 N ATOM 0 H LYS A 27 -0.689 1.300 -4.987 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.763 -0.408 -4.127 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.822 2.299 -5.578 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.249 1.553 -4.889 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.370 1.824 -2.589 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.811 2.353 -3.191 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.849 4.415 -4.147 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.436 3.877 -3.635 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.613 3.924 -1.195 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.090 4.586 -1.756 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.451 6.389 -1.169 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.428 6.359 -2.867 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.784 5.778 -2.026 1.00 15.47 H new ATOM 439 N ALA A 28 -2.415 -0.290 -7.271 1.00 6.61 N ATOM 440 CA ALA A 28 -2.762 -1.004 -8.464 1.00 7.74 C ATOM 441 C ALA A 28 -2.607 -2.484 -8.378 1.00 9.17 C ATOM 442 O ALA A 28 -3.478 -3.275 -8.749 1.00 11.45 O ATOM 443 CB ALA A 28 -1.980 -0.414 -9.666 1.00 7.68 C ATOM 0 H ALA A 28 -1.607 0.326 -7.359 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.833 -0.860 -8.609 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.244 -0.957 -10.574 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.236 0.639 -9.785 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.909 -0.508 -9.485 1.00 7.68 H new ATOM 449 N LYS A 29 -1.491 -2.975 -7.806 1.00 8.96 N ATOM 450 CA LYS A 29 -1.265 -4.321 -7.412 1.00 7.90 C ATOM 451 C LYS A 29 -2.263 -4.856 -6.358 1.00 6.92 C ATOM 452 O LYS A 29 -2.612 -6.018 -6.437 1.00 6.87 O ATOM 453 CB LYS A 29 0.168 -4.528 -6.902 1.00 10.28 C ATOM 454 CG LYS A 29 1.131 -4.681 -8.080 1.00 14.94 C ATOM 455 CD LYS A 29 2.629 -4.563 -7.651 1.00 19.69 C ATOM 456 CE LYS A 29 3.574 -4.216 -8.795 1.00 22.63 C ATOM 457 NZ LYS A 29 3.745 -5.342 -9.765 1.00 24.98 N ATOM 0 H LYS A 29 -0.689 -2.378 -7.607 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.425 -4.898 -8.323 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.468 -3.681 -6.285 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.212 -5.414 -6.269 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.968 -5.649 -8.554 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.910 -3.919 -8.827 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.716 -3.800 -6.877 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.945 -5.507 -7.206 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.193 -3.342 -9.323 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.547 -3.943 -8.387 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.397 -5.052 -10.522 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.135 -6.170 -9.271 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.823 -5.588 -10.178 1.00 24.98 H new ATOM 471 N ILE A 30 -2.680 -4.070 -5.386 1.00 4.57 N ATOM 472 CA ILE A 30 -3.695 -4.413 -4.482 1.00 5.58 C ATOM 473 C ILE A 30 -5.005 -4.602 -5.230 1.00 7.26 C ATOM 474 O ILE A 30 -5.739 -5.520 -4.861 1.00 9.46 O ATOM 475 CB ILE A 30 -3.825 -3.437 -3.341 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.541 -3.521 -2.461 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.132 -3.703 -2.523 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.614 -2.590 -1.207 1.00 2.00 C ATOM 0 H ILE A 30 -2.288 -3.143 -5.220 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.419 -5.358 -4.014 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.912 -2.421 -3.726 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.393 -4.551 -2.137 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.674 -3.248 -3.062 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.202 -2.985 -1.706 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.998 -3.595 -3.176 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.108 -4.714 -2.117 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.695 -2.686 -0.628 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.734 -1.555 -1.528 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.464 -2.878 -0.589 1.00 2.00 H new ATOM 490 N GLN A 31 -5.339 -3.888 -6.322 1.00 7.06 N ATOM 491 CA GLN A 31 -6.492 -4.187 -7.125 1.00 8.67 C ATOM 492 C GLN A 31 -6.412 -5.551 -7.836 1.00 10.90 C ATOM 493 O GLN A 31 -7.326 -6.285 -7.861 1.00 9.63 O ATOM 494 CB GLN A 31 -6.787 -3.086 -8.139 1.00 9.12 C ATOM 495 CG GLN A 31 -8.109 -3.156 -8.942 1.00 10.76 C ATOM 496 CD GLN A 31 -8.076 -2.199 -10.173 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.311 -0.985 -10.010 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.898 -2.708 -11.413 1.00 14.76 N ATOM 0 H GLN A 31 -4.800 -3.088 -6.655 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.318 -4.242 -6.416 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.771 -2.134 -7.608 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.965 -3.066 -8.855 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.279 -4.179 -9.278 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.945 -2.890 -8.295 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.706 -3.703 -11.533 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.955 -2.097 -12.228 1.00 14.76 H new ATOM 507 N ASP A 32 -5.167 -5.789 -8.432 1.00 10.93 N ATOM 508 CA ASP A 32 -4.801 -7.029 -9.138 1.00 14.01 C ATOM 509 C ASP A 32 -4.922 -8.253 -8.252 1.00 14.04 C ATOM 510 O ASP A 32 -5.525 -9.260 -8.680 1.00 13.39 O ATOM 511 CB ASP A 32 -3.495 -7.027 -9.879 1.00 18.01 C ATOM 512 CG ASP A 32 -3.519 -7.917 -11.130 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.268 -7.529 -12.059 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.753 -8.919 -11.253 1.00 26.29 O ATOM 0 H ASP A 32 -4.413 -5.102 -8.416 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.551 -7.078 -9.928 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.249 -6.006 -10.170 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.703 -7.368 -9.212 1.00 18.01 H new ATOM 519 N LYS A 33 -4.527 -8.138 -6.984 1.00 14.22 N ATOM 520 CA LYS A 33 -4.952 -9.090 -5.967 1.00 14.00 C ATOM 521 C LYS A 33 -6.395 -9.085 -5.492 1.00 12.37 C ATOM 522 O LYS A 33 -7.133 -9.985 -5.768 1.00 12.17 O ATOM 523 CB LYS A 33 -4.045 -8.913 -4.740 1.00 18.62 C ATOM 524 CG LYS A 33 -2.538 -9.206 -4.920 1.00 24.00 C ATOM 525 CD LYS A 33 -2.126 -10.702 -4.988 1.00 27.61 C ATOM 526 CE LYS A 33 -0.689 -10.836 -5.603 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.172 -12.149 -5.482 1.00 30.06 N ATOM 0 H LYS A 33 -3.916 -7.397 -6.641 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.868 -10.048 -6.480 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.149 -7.886 -4.390 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.421 -9.559 -3.947 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.202 -8.718 -5.835 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.999 -8.741 -4.095 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.145 -11.139 -3.989 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.843 -11.258 -5.593 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.719 -10.556 -6.656 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.017 -10.136 -5.106 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.779 -12.188 -5.902 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.117 -12.409 -4.477 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.797 -12.815 -5.978 1.00 30.06 H new ATOM 541 N GLU A 34 -6.810 -8.128 -4.688 1.00 10.11 N ATOM 542 CA GLU A 34 -7.999 -8.300 -3.804 1.00 10.07 C ATOM 543 C GLU A 34 -9.273 -7.755 -4.491 1.00 9.32 C ATOM 544 O GLU A 34 -10.388 -7.816 -4.013 1.00 11.61 O ATOM 545 CB GLU A 34 -7.780 -7.611 -2.475 1.00 14.77 C ATOM 546 CG GLU A 34 -6.651 -8.269 -1.631 1.00 18.75 C ATOM 547 CD GLU A 34 -6.957 -9.738 -1.365 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.040 -10.108 -0.891 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.043 -10.584 -1.560 1.00 21.95 O ATOM 0 H GLU A 34 -6.359 -7.216 -4.611 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.135 -9.366 -3.621 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.532 -6.564 -2.651 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.709 -7.627 -1.905 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.700 -8.181 -2.157 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.543 -7.739 -0.685 1.00 18.75 H new ATOM 556 N GLY A 35 -9.086 -7.156 -5.694 1.00 7.22 N ATOM 557 CA GLY A 35 -10.133 -6.459 -6.398 1.00 6.29 C ATOM 558 C GLY A 35 -10.519 -5.083 -5.947 1.00 6.93 C ATOM 559 O GLY A 35 -11.641 -4.673 -6.089 1.00 7.41 O ATOM 0 H GLY A 35 -8.192 -7.157 -6.185 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.837 -6.392 -7.445 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.027 -7.081 -6.359 1.00 6.29 H new ATOM 563 N ILE A 36 -9.661 -4.373 -5.173 1.00 5.86 N ATOM 564 CA ILE A 36 -10.079 -3.084 -4.550 1.00 6.07 C ATOM 565 C ILE A 36 -9.697 -1.910 -5.526 1.00 6.36 C ATOM 566 O ILE A 36 -8.500 -1.868 -5.880 1.00 6.18 O ATOM 567 CB ILE A 36 -9.482 -2.902 -3.156 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.009 -4.016 -2.317 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.946 -1.549 -2.541 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.167 -4.187 -1.059 1.00 9.49 C ATOM 0 H ILE A 36 -8.703 -4.656 -4.967 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.159 -3.085 -4.402 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.393 -2.905 -3.203 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.044 -3.813 -2.043 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.007 -4.943 -2.891 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.513 -1.433 -1.548 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.617 -0.728 -3.178 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.033 -1.537 -2.466 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.569 -5.005 -0.461 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.138 -4.413 -1.338 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.191 -3.266 -0.477 1.00 9.49 H new ATOM 582 N PRO A 37 -10.485 -0.984 -6.096 1.00 8.65 N ATOM 583 CA PRO A 37 -9.959 0.268 -6.711 1.00 9.18 C ATOM 584 C PRO A 37 -8.799 0.998 -5.988 1.00 9.85 C ATOM 585 O PRO A 37 -8.836 1.155 -4.769 1.00 8.51 O ATOM 586 CB PRO A 37 -11.208 1.206 -6.891 1.00 11.42 C ATOM 587 CG PRO A 37 -12.376 0.223 -6.793 1.00 9.27 C ATOM 588 CD PRO A 37 -11.935 -0.901 -5.887 1.00 8.33 C ATOM 0 HA PRO A 37 -9.472 -0.010 -7.645 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.256 1.972 -6.117 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.192 1.723 -7.850 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.262 0.716 -6.392 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.642 -0.159 -7.779 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.176 -0.690 -4.845 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.429 -1.838 -6.145 1.00 8.33 H new ATOM 596 N PRO A 38 -7.788 1.537 -6.648 1.00 8.71 N ATOM 597 CA PRO A 38 -6.775 2.342 -6.036 1.00 9.08 C ATOM 598 C PRO A 38 -7.380 3.572 -5.428 1.00 9.28 C ATOM 599 O PRO A 38 -6.868 4.054 -4.422 1.00 6.50 O ATOM 600 CB PRO A 38 -5.718 2.531 -7.177 1.00 10.31 C ATOM 601 CG PRO A 38 -5.903 1.412 -8.099 1.00 10.81 C ATOM 602 CD PRO A 38 -7.376 1.202 -7.992 1.00 12.00 C ATOM 0 HA PRO A 38 -6.273 1.906 -5.172 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.863 3.483 -7.687 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.706 2.538 -6.772 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.593 1.658 -9.115 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.337 0.531 -7.798 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.901 1.825 -8.716 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.629 0.166 -8.219 1.00 12.00 H new ATOM 610 N ASP A 39 -8.478 4.123 -5.959 1.00 11.20 N ATOM 611 CA ASP A 39 -9.149 5.301 -5.456 1.00 14.96 C ATOM 612 C ASP A 39 -9.715 5.048 -4.090 1.00 13.99 C ATOM 613 O ASP A 39 -10.021 6.010 -3.456 1.00 13.75 O ATOM 614 CB ASP A 39 -10.277 5.596 -6.422 1.00 24.16 C ATOM 615 CG ASP A 39 -9.768 5.714 -7.863 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.512 4.594 -8.444 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.741 6.821 -8.467 1.00 35.55 O ATOM 0 H ASP A 39 -8.933 3.735 -6.785 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.452 6.136 -5.376 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.024 4.804 -6.363 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.772 6.523 -6.133 1.00 24.16 H new ATOM 622 N GLN A 40 -9.877 3.805 -3.600 1.00 11.60 N ATOM 623 CA GLN A 40 -10.586 3.592 -2.363 1.00 10.76 C ATOM 624 C GLN A 40 -9.680 3.248 -1.221 1.00 8.01 C ATOM 625 O GLN A 40 -10.051 2.967 -0.085 1.00 8.96 O ATOM 626 CB GLN A 40 -11.424 2.312 -2.655 1.00 11.14 C ATOM 627 CG GLN A 40 -12.460 1.964 -1.518 1.00 14.85 C ATOM 628 CD GLN A 40 -13.267 0.711 -1.946 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.092 -0.386 -1.441 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.292 1.037 -2.796 1.00 18.16 N ATOM 0 H GLN A 40 -9.526 2.957 -4.046 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.140 4.488 -2.082 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.960 2.445 -3.595 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.748 1.468 -2.790 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.941 1.776 -0.578 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.131 2.806 -1.348 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.361 1.982 -3.172 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.985 0.334 -3.052 1.00 18.16 H new ATOM 639 N GLN A 41 -8.378 3.254 -1.454 1.00 6.52 N ATOM 640 CA GLN A 41 -7.321 2.775 -0.593 1.00 3.87 C ATOM 641 C GLN A 41 -6.506 3.847 0.217 1.00 4.79 C ATOM 642 O GLN A 41 -5.926 4.704 -0.408 1.00 6.34 O ATOM 643 CB GLN A 41 -6.401 1.982 -1.500 1.00 4.20 C ATOM 644 CG GLN A 41 -7.080 0.629 -2.108 1.00 3.20 C ATOM 645 CD GLN A 41 -6.028 -0.151 -2.911 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.887 -0.284 -2.475 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.370 -0.798 -4.083 1.00 7.13 N ATOM 0 H GLN A 41 -8.007 3.628 -2.327 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.785 2.197 0.206 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.082 2.619 -2.325 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.505 1.709 -0.943 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.470 0.010 -1.300 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.924 0.888 -2.748 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.312 -0.701 -4.463 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.681 -1.372 -4.568 1.00 7.13 H new ATOM 656 N ARG A 42 -6.317 3.667 1.532 1.00 5.73 N ATOM 657 CA ARG A 42 -5.362 4.424 2.307 1.00 6.97 C ATOM 658 C ARG A 42 -4.313 3.481 2.951 1.00 7.15 C ATOM 659 O ARG A 42 -4.593 2.662 3.822 1.00 7.33 O ATOM 660 CB ARG A 42 -6.086 5.244 3.426 1.00 13.23 C ATOM 661 CG ARG A 42 -7.020 6.309 2.864 1.00 21.27 C ATOM 662 CD ARG A 42 -7.330 7.355 3.920 1.00 26.14 C ATOM 663 NE ARG A 42 -7.924 8.535 3.241 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.210 8.956 3.475 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.083 8.153 4.086 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.682 10.112 3.011 1.00 36.39 N ATOM 0 H ARG A 42 -6.836 2.981 2.080 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.854 5.114 1.633 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.656 4.563 4.058 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.340 5.720 4.062 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.560 6.784 1.997 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.945 5.845 2.520 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.022 6.954 4.661 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.422 7.639 4.452 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.353 9.054 2.574 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.797 7.220 4.382 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.037 8.472 4.257 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.081 10.723 2.458 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.644 10.386 3.209 1.00 36.39 H new ATOM 680 N LEU A 43 -3.052 3.577 2.472 1.00 4.65 N ATOM 681 CA LEU A 43 -1.910 2.814 3.004 1.00 3.51 C ATOM 682 C LEU A 43 -1.102 3.472 4.131 1.00 5.56 C ATOM 683 O LEU A 43 -0.756 4.656 4.065 1.00 4.19 O ATOM 684 CB LEU A 43 -0.972 2.394 1.862 1.00 3.74 C ATOM 685 CG LEU A 43 -1.645 1.606 0.693 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.431 1.097 -0.105 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.528 0.472 1.211 1.00 6.41 C ATOM 0 H LEU A 43 -2.801 4.193 1.699 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.374 1.950 3.479 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.505 3.289 1.452 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.174 1.780 2.278 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.325 2.208 0.090 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.776 0.521 -0.964 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.159 1.946 -0.451 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.185 0.463 0.534 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.978 -0.052 0.368 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.923 -0.225 1.790 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.314 0.883 1.844 1.00 6.41 H new ATOM 699 N ILE A 44 -0.897 2.663 5.167 1.00 4.58 N ATOM 700 CA ILE A 44 -0.187 3.092 6.337 1.00 5.55 C ATOM 701 C ILE A 44 1.036 2.261 6.434 1.00 5.46 C ATOM 702 O ILE A 44 1.018 1.024 6.159 1.00 6.04 O ATOM 703 CB ILE A 44 -1.048 2.962 7.523 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.461 3.684 7.279 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.303 3.593 8.732 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.275 3.761 8.545 1.00 13.90 C ATOM 0 H ILE A 44 -1.223 1.697 5.205 1.00 4.58 H new ATOM 0 HA ILE A 44 0.095 4.143 6.275 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.253 1.910 7.724 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.294 4.689 6.892 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.021 3.139 6.519 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.922 3.509 9.625 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.639 3.069 8.893 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.103 4.645 8.527 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.224 4.256 8.338 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.465 2.754 8.917 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.726 4.328 9.297 1.00 13.90 H new ATOM 718 N PHE A 45 2.188 2.822 6.785 1.00 6.75 N ATOM 719 CA PHE A 45 3.366 2.043 7.115 1.00 4.70 C ATOM 720 C PHE A 45 3.685 2.543 8.539 1.00 6.34 C ATOM 721 O PHE A 45 4.096 3.704 8.764 1.00 5.45 O ATOM 722 CB PHE A 45 4.535 2.364 6.176 1.00 5.51 C ATOM 723 CG PHE A 45 5.858 1.487 6.528 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.784 0.119 6.679 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.055 2.108 6.736 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.906 -0.661 7.084 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.213 1.388 7.075 1.00 6.64 C ATOM 728 CZ PHE A 45 8.123 -0.015 7.226 1.00 6.84 C ATOM 0 H PHE A 45 2.327 3.831 6.847 1.00 6.75 H new ATOM 0 HA PHE A 45 3.208 0.968 7.031 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.236 2.171 5.146 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.775 3.425 6.245 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.845 -0.378 6.484 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.114 3.182 6.637 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.811 -1.720 7.274 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.155 1.897 7.218 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.010 -0.587 7.454 1.00 6.84 H new ATOM 738 N ALA A 46 3.552 1.662 9.537 1.00 6.53 N ATOM 739 CA ALA A 46 3.864 1.848 10.958 1.00 7.15 C ATOM 740 C ALA A 46 3.363 3.143 11.632 1.00 9.00 C ATOM 741 O ALA A 46 4.068 3.929 12.190 1.00 11.15 O ATOM 742 CB ALA A 46 5.408 1.738 11.123 1.00 8.99 C ATOM 0 H ALA A 46 3.194 0.724 9.356 1.00 6.53 H new ATOM 0 HA ALA A 46 3.310 1.066 11.477 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.672 1.872 12.172 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.741 0.756 10.788 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.894 2.509 10.525 1.00 8.99 H new ATOM 748 N GLY A 47 2.048 3.369 11.371 1.00 9.35 N ATOM 749 CA GLY A 47 1.308 4.568 11.609 1.00 11.68 C ATOM 750 C GLY A 47 1.499 5.786 10.772 1.00 11.14 C ATOM 751 O GLY A 47 0.727 6.729 10.940 1.00 13.93 O ATOM 0 H GLY A 47 1.463 2.642 10.958 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.252 4.305 11.547 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.504 4.860 12.641 1.00 11.68 H new ATOM 755 N LYS A 48 2.383 5.878 9.816 1.00 10.47 N ATOM 756 CA LYS A 48 2.396 7.039 8.975 1.00 8.82 C ATOM 757 C LYS A 48 1.560 6.731 7.709 1.00 7.68 C ATOM 758 O LYS A 48 1.702 5.680 7.114 1.00 6.47 O ATOM 759 CB LYS A 48 3.796 7.412 8.591 1.00 9.74 C ATOM 760 CG LYS A 48 3.830 8.662 7.764 1.00 14.14 C ATOM 761 CD LYS A 48 5.259 9.253 7.578 1.00 16.32 C ATOM 762 CE LYS A 48 6.329 8.328 7.082 1.00 20.04 C ATOM 763 NZ LYS A 48 7.592 8.999 6.812 1.00 23.92 N ATOM 0 H LYS A 48 3.091 5.175 9.604 1.00 10.47 H new ATOM 0 HA LYS A 48 1.968 7.883 9.516 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.394 7.555 9.491 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.250 6.594 8.032 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.404 8.450 6.783 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.194 9.414 8.232 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.189 10.090 6.884 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.583 9.659 8.536 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.493 7.544 7.821 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.983 7.839 6.171 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.288 8.305 6.473 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.449 9.729 6.085 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.943 9.443 7.685 1.00 23.92 H new ATOM 777 N GLN A 49 0.703 7.709 7.258 1.00 8.89 N ATOM 778 CA GLN A 49 0.059 7.640 5.959 1.00 7.18 C ATOM 779 C GLN A 49 0.952 7.912 4.705 1.00 8.23 C ATOM 780 O GLN A 49 1.939 8.666 4.762 1.00 9.70 O ATOM 781 CB GLN A 49 -1.296 8.444 5.917 1.00 11.67 C ATOM 782 CG GLN A 49 -2.419 7.841 6.760 1.00 15.82 C ATOM 783 CD GLN A 49 -3.583 8.767 6.914 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.030 9.484 5.994 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.316 8.671 8.099 1.00 20.67 N ATOM 0 H GLN A 49 0.463 8.541 7.797 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.166 6.578 5.863 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.110 9.462 6.258 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.632 8.511 4.882 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.756 6.913 6.299 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.031 7.584 7.746 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.973 8.092 8.865 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.195 9.180 8.198 1.00 20.67 H new ATOM 794 N LEU A 50 0.679 7.188 3.582 1.00 6.51 N ATOM 795 CA LEU A 50 1.493 7.119 2.367 1.00 7.41 C ATOM 796 C LEU A 50 0.910 7.775 1.156 1.00 8.27 C ATOM 797 O LEU A 50 -0.260 7.527 0.790 1.00 8.34 O ATOM 798 CB LEU A 50 1.938 5.701 2.070 1.00 7.13 C ATOM 799 CG LEU A 50 2.410 4.920 3.288 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.609 3.372 3.039 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.733 5.511 3.828 1.00 9.11 C ATOM 0 H LEU A 50 -0.161 6.613 3.512 1.00 6.51 H new ATOM 0 HA LEU A 50 2.369 7.723 2.603 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.110 5.163 1.608 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.746 5.733 1.339 1.00 7.13 H new ATOM 0 HG LEU A 50 1.606 5.021 4.017 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.946 2.896 3.960 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.663 2.929 2.727 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.355 3.222 2.259 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.057 4.941 4.699 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.498 5.457 3.054 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.577 6.552 4.112 1.00 9.11 H new ATOM 813 N GLU A 51 1.696 8.679 0.532 1.00 9.43 N ATOM 814 CA GLU A 51 1.208 9.601 -0.498 1.00 11.90 C ATOM 815 C GLU A 51 1.394 8.894 -1.850 1.00 11.49 C ATOM 816 O GLU A 51 2.347 8.132 -2.135 1.00 9.88 O ATOM 817 CB GLU A 51 1.900 10.978 -0.415 1.00 16.56 C ATOM 818 CG GLU A 51 1.674 11.783 0.887 1.00 26.06 C ATOM 819 CD GLU A 51 2.354 13.126 0.800 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.536 13.280 1.204 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.638 14.131 0.474 1.00 32.13 O ATOM 0 H GLU A 51 2.690 8.784 0.735 1.00 9.43 H new ATOM 0 HA GLU A 51 0.152 9.831 -0.354 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.972 10.830 -0.544 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.559 11.583 -1.255 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.606 11.919 1.057 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.064 11.226 1.739 1.00 26.06 H new ATOM 828 N ASP A 52 0.351 8.972 -2.740 1.00 12.71 N ATOM 829 CA ASP A 52 0.186 8.225 -3.986 1.00 16.56 C ATOM 830 C ASP A 52 1.418 8.220 -4.888 1.00 15.83 C ATOM 831 O ASP A 52 1.800 7.199 -5.482 1.00 17.21 O ATOM 832 CB ASP A 52 -0.985 8.786 -4.797 1.00 21.05 C ATOM 833 CG ASP A 52 -2.269 8.875 -3.994 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.915 7.832 -3.636 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.756 10.023 -3.785 1.00 25.82 O ATOM 0 H ASP A 52 -0.433 9.604 -2.575 1.00 12.71 H new ATOM 0 HA ASP A 52 0.004 7.198 -3.671 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.723 9.778 -5.166 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.151 8.155 -5.670 1.00 21.05 H new ATOM 840 N GLY A 53 2.099 9.399 -5.095 1.00 15.00 N ATOM 841 CA GLY A 53 3.235 9.455 -6.009 1.00 11.77 C ATOM 842 C GLY A 53 4.632 9.323 -5.373 1.00 11.10 C ATOM 843 O GLY A 53 5.575 9.502 -6.114 1.00 11.25 O ATOM 0 H GLY A 53 1.869 10.284 -4.643 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.119 8.661 -6.747 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.193 10.401 -6.549 1.00 11.77 H new ATOM 847 N ARG A 54 4.694 9.033 -4.035 1.00 8.53 N ATOM 848 CA ARG A 54 5.986 8.723 -3.353 1.00 9.05 C ATOM 849 C ARG A 54 6.361 7.285 -3.580 1.00 8.96 C ATOM 850 O ARG A 54 5.500 6.437 -3.572 1.00 11.60 O ATOM 851 CB ARG A 54 5.786 8.975 -1.844 1.00 7.97 C ATOM 852 CG ARG A 54 5.772 10.500 -1.458 1.00 9.62 C ATOM 853 CD ARG A 54 7.206 10.944 -1.241 1.00 12.20 C ATOM 854 NE ARG A 54 7.258 12.355 -0.636 1.00 18.23 N ATOM 855 CZ ARG A 54 8.339 13.128 -0.364 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.562 12.664 -0.405 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.130 14.387 -0.100 1.00 23.38 N ATOM 0 H ARG A 54 3.880 9.008 -3.421 1.00 8.53 H new ATOM 0 HA ARG A 54 6.784 9.350 -3.750 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.847 8.520 -1.529 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.582 8.476 -1.292 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.307 11.089 -2.249 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.183 10.659 -0.554 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.712 10.241 -0.579 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.742 10.931 -2.190 1.00 12.20 H new ATOM 0 HE ARG A 54 6.354 12.768 -0.407 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.729 11.688 -0.648 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.348 13.279 -0.194 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.180 14.758 -0.103 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.917 15.002 0.110 1.00 23.38 H new ATOM 871 N THR A 55 7.710 7.016 -3.635 1.00 9.05 N ATOM 872 CA THR A 55 8.214 5.684 -3.829 1.00 9.03 C ATOM 873 C THR A 55 8.336 4.987 -2.503 1.00 8.15 C ATOM 874 O THR A 55 8.302 5.610 -1.465 1.00 5.91 O ATOM 875 CB THR A 55 9.544 5.623 -4.579 1.00 11.15 C ATOM 876 OG1 THR A 55 10.502 6.321 -3.840 1.00 11.95 O ATOM 877 CG2 THR A 55 9.533 6.327 -5.952 1.00 11.71 C ATOM 0 H THR A 55 8.434 7.728 -3.544 1.00 9.05 H new ATOM 0 HA THR A 55 7.489 5.174 -4.464 1.00 9.03 H new ATOM 0 HB THR A 55 9.748 4.561 -4.718 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.345 5.821 -3.842 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.515 6.236 -6.416 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.785 5.862 -6.593 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.291 7.381 -5.818 1.00 11.71 H new ATOM 885 N LEU A 56 8.566 3.655 -2.590 1.00 6.91 N ATOM 886 CA LEU A 56 9.013 2.731 -1.525 1.00 8.29 C ATOM 887 C LEU A 56 10.403 3.121 -0.976 1.00 8.05 C ATOM 888 O LEU A 56 10.584 3.077 0.261 1.00 10.17 O ATOM 889 CB LEU A 56 9.031 1.254 -1.960 1.00 6.60 C ATOM 890 CG LEU A 56 7.686 0.724 -2.305 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.669 -0.658 -2.888 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.680 0.628 -1.109 1.00 8.64 C ATOM 0 H LEU A 56 8.433 3.163 -3.474 1.00 6.91 H new ATOM 0 HA LEU A 56 8.269 2.831 -0.735 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.689 1.145 -2.822 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.456 0.652 -1.157 1.00 6.60 H new ATOM 0 HG LEU A 56 7.384 1.476 -3.034 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.641 -0.949 -3.104 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.251 -0.671 -3.810 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.103 -1.359 -2.175 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.729 0.230 -1.464 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.087 -0.033 -0.344 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.523 1.620 -0.685 1.00 8.64 H new ATOM 904 N SER A 57 11.365 3.527 -1.841 1.00 8.92 N ATOM 905 CA SER A 57 12.694 4.039 -1.357 1.00 9.00 C ATOM 906 C SER A 57 12.694 5.355 -0.561 1.00 9.44 C ATOM 907 O SER A 57 13.355 5.540 0.516 1.00 10.91 O ATOM 908 CB SER A 57 13.681 4.254 -2.586 1.00 10.32 C ATOM 909 OG SER A 57 13.197 5.131 -3.612 1.00 13.59 O ATOM 0 H SER A 57 11.261 3.515 -2.856 1.00 8.92 H new ATOM 0 HA SER A 57 13.010 3.258 -0.665 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.625 4.648 -2.209 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.897 3.283 -3.032 1.00 10.32 H new ATOM 0 HG SER A 57 13.868 5.204 -4.323 1.00 13.59 H new ATOM 915 N ASP A 58 11.819 6.251 -1.011 1.00 9.11 N ATOM 916 CA ASP A 58 11.589 7.502 -0.292 1.00 7.91 C ATOM 917 C ASP A 58 11.206 7.303 1.178 1.00 9.12 C ATOM 918 O ASP A 58 11.734 7.945 2.051 1.00 8.61 O ATOM 919 CB ASP A 58 10.511 8.368 -0.997 1.00 8.41 C ATOM 920 CG ASP A 58 10.537 9.851 -0.787 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.287 10.193 0.389 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.676 10.620 -1.735 1.00 11.70 O ATOM 0 H ASP A 58 11.264 6.137 -1.859 1.00 9.11 H new ATOM 0 HA ASP A 58 12.546 8.023 -0.308 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.586 8.183 -2.069 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.534 8.005 -0.679 1.00 8.41 H new ATOM 927 N TYR A 59 10.388 6.286 1.492 1.00 7.97 N ATOM 928 CA TYR A 59 9.933 6.017 2.816 1.00 8.45 C ATOM 929 C TYR A 59 10.876 5.033 3.474 1.00 10.98 C ATOM 930 O TYR A 59 10.878 4.851 4.729 1.00 12.95 O ATOM 931 CB TYR A 59 8.537 5.362 2.856 1.00 7.94 C ATOM 932 CG TYR A 59 7.496 6.363 2.358 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.206 7.460 3.165 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.655 6.020 1.237 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.110 8.267 2.846 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.592 6.853 0.914 1.00 6.52 C ATOM 937 CZ TYR A 59 5.360 7.969 1.749 1.00 6.76 C ATOM 938 OH TYR A 59 4.291 8.812 1.516 1.00 7.63 O ATOM 0 H TYR A 59 10.031 5.628 0.799 1.00 7.97 H new ATOM 0 HA TYR A 59 9.893 6.980 3.325 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.525 4.467 2.234 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.299 5.047 3.872 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.819 7.684 4.025 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.849 5.129 0.658 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.861 9.118 3.463 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.966 6.655 0.057 1.00 6.52 H new ATOM 0 HH TYR A 59 4.618 9.727 1.389 1.00 7.63 H new ATOM 948 N ASN A 60 11.691 4.335 2.758 1.00 12.38 N ATOM 949 CA ASN A 60 12.579 3.313 3.218 1.00 13.94 C ATOM 950 C ASN A 60 11.878 1.997 3.558 1.00 14.16 C ATOM 951 O ASN A 60 12.095 1.312 4.548 1.00 14.26 O ATOM 952 CB ASN A 60 13.594 3.833 4.355 1.00 19.23 C ATOM 953 CG ASN A 60 14.886 3.047 4.467 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.325 2.266 3.599 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.595 3.209 5.617 1.00 24.09 N ATOM 0 H ASN A 60 11.761 4.474 1.750 1.00 12.38 H new ATOM 0 HA ASN A 60 13.210 3.064 2.365 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.837 4.876 4.155 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.084 3.804 5.318 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.466 2.697 5.755 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.255 3.842 6.341 1.00 24.09 H new ATOM 962 N ILE A 61 11.059 1.592 2.646 1.00 11.08 N ATOM 963 CA ILE A 61 10.374 0.331 2.716 1.00 11.78 C ATOM 964 C ILE A 61 11.223 -0.622 2.074 1.00 13.74 C ATOM 965 O ILE A 61 11.569 -0.455 0.935 1.00 14.60 O ATOM 966 CB ILE A 61 8.983 0.497 2.104 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.062 1.431 2.908 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.367 -0.924 2.021 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.791 1.927 2.215 1.00 11.42 C ATOM 0 H ILE A 61 10.838 2.135 1.811 1.00 11.08 H new ATOM 0 HA ILE A 61 10.192 -0.029 3.729 1.00 11.78 H new ATOM 0 HB ILE A 61 9.080 0.967 1.125 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.769 0.912 3.821 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.644 2.302 3.209 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.368 -0.863 1.589 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.995 -1.557 1.394 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.304 -1.352 3.021 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.236 2.575 2.893 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.060 2.485 1.318 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.171 1.074 1.939 1.00 11.42 H new ATOM 981 N GLN A 62 11.691 -1.647 2.829 1.00 13.97 N ATOM 982 CA GLN A 62 12.579 -2.694 2.437 1.00 15.52 C ATOM 983 C GLN A 62 11.829 -3.987 2.163 1.00 13.94 C ATOM 984 O GLN A 62 10.636 -4.098 2.445 1.00 12.15 O ATOM 985 CB GLN A 62 13.611 -3.007 3.569 1.00 19.53 C ATOM 986 CG GLN A 62 14.478 -1.749 3.829 1.00 26.38 C ATOM 987 CD GLN A 62 15.638 -1.990 4.802 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.609 -2.635 4.459 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.560 -1.531 6.049 1.00 32.71 N ATOM 0 H GLN A 62 11.414 -1.741 3.806 1.00 13.97 H new ATOM 0 HA GLN A 62 13.081 -2.344 1.535 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.091 -3.300 4.481 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.244 -3.846 3.279 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.879 -1.393 2.880 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.843 -0.956 4.224 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.748 -0.989 6.343 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.313 -1.721 6.711 1.00 32.71 H new ATOM 998 N LYS A 63 12.607 -5.005 1.773 1.00 11.73 N ATOM 999 CA LYS A 63 12.104 -6.421 1.755 1.00 11.97 C ATOM 1000 C LYS A 63 11.564 -6.871 3.100 1.00 10.41 C ATOM 1001 O LYS A 63 12.101 -6.555 4.189 1.00 9.59 O ATOM 1002 CB LYS A 63 13.218 -7.402 1.251 1.00 13.73 C ATOM 1003 CG LYS A 63 14.336 -7.637 2.261 1.00 16.98 C ATOM 1004 CD LYS A 63 15.507 -8.368 1.648 1.00 20.19 C ATOM 1005 CE LYS A 63 15.202 -9.833 1.335 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.137 -10.693 2.526 1.00 25.97 N ATOM 0 H LYS A 63 13.574 -4.898 1.467 1.00 11.73 H new ATOM 0 HA LYS A 63 11.268 -6.445 1.056 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.760 -8.359 1.001 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.649 -7.005 0.332 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.674 -6.679 2.658 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.950 -8.212 3.102 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.804 -7.861 0.730 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.356 -8.317 2.329 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.252 -9.891 0.804 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.968 -10.218 0.662 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 14.978 -11.678 2.234 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.033 -10.628 3.051 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.355 -10.382 3.137 1.00 25.97 H new ATOM 1020 N GLU A 64 10.367 -7.503 3.001 1.00 10.04 N ATOM 1021 CA GLU A 64 9.741 -8.352 4.039 1.00 10.94 C ATOM 1022 C GLU A 64 9.099 -7.537 5.105 1.00 9.74 C ATOM 1023 O GLU A 64 8.536 -8.082 6.100 1.00 9.42 O ATOM 1024 CB GLU A 64 10.768 -9.311 4.673 1.00 18.31 C ATOM 1025 CG GLU A 64 11.184 -10.483 3.788 1.00 24.16 C ATOM 1026 CD GLU A 64 12.246 -11.382 4.347 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.394 -10.928 4.537 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.936 -12.552 4.694 1.00 31.72 O ATOM 0 H GLU A 64 9.791 -7.430 2.162 1.00 10.04 H new ATOM 0 HA GLU A 64 8.970 -8.938 3.539 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.659 -8.742 4.940 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.352 -9.705 5.600 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.300 -11.085 3.577 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.535 -10.087 2.835 1.00 24.16 H new ATOM 1035 N SER A 65 9.011 -6.178 4.890 1.00 6.85 N ATOM 1036 CA SER A 65 8.225 -5.254 5.718 1.00 6.90 C ATOM 1037 C SER A 65 6.741 -5.239 5.377 1.00 4.72 C ATOM 1038 O SER A 65 6.298 -5.505 4.267 1.00 3.91 O ATOM 1039 CB SER A 65 8.610 -3.773 5.458 1.00 7.28 C ATOM 1040 OG SER A 65 9.980 -3.528 5.705 1.00 10.56 O ATOM 0 H SER A 65 9.497 -5.712 4.124 1.00 6.85 H new ATOM 0 HA SER A 65 8.427 -5.608 6.729 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.376 -3.514 4.425 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.006 -3.125 6.093 1.00 7.28 H new ATOM 0 HG SER A 65 10.181 -2.585 5.528 1.00 10.56 H new ATOM 1046 N THR A 66 5.931 -4.923 6.489 1.00 4.48 N ATOM 1047 CA THR A 66 4.498 -4.976 6.442 1.00 3.80 C ATOM 1048 C THR A 66 3.876 -3.592 6.415 1.00 4.60 C ATOM 1049 O THR A 66 4.165 -2.715 7.249 1.00 5.33 O ATOM 1050 CB THR A 66 3.917 -5.848 7.548 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.546 -7.090 7.471 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.376 -5.915 7.544 1.00 3.40 C ATOM 0 H THR A 66 6.305 -4.638 7.394 1.00 4.48 H new ATOM 0 HA THR A 66 4.234 -5.455 5.499 1.00 3.80 H new ATOM 0 HB THR A 66 4.124 -5.399 8.520 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.196 -7.678 8.172 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.037 -6.554 8.360 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.968 -4.913 7.675 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.032 -6.326 6.595 1.00 3.40 H new ATOM 1060 N LEU A 67 3.000 -3.404 5.375 1.00 4.17 N ATOM 1061 CA LEU A 67 2.242 -2.237 5.157 1.00 3.85 C ATOM 1062 C LEU A 67 0.880 -2.570 5.801 1.00 3.80 C ATOM 1063 O LEU A 67 0.538 -3.688 6.112 1.00 5.54 O ATOM 1064 CB LEU A 67 2.083 -1.942 3.697 1.00 7.18 C ATOM 1065 CG LEU A 67 3.230 -1.082 3.130 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.454 -1.973 2.871 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.895 -0.431 1.784 1.00 11.66 C ATOM 0 H LEU A 67 2.834 -4.120 4.668 1.00 4.17 H new ATOM 0 HA LEU A 67 2.714 -1.350 5.579 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.033 -2.881 3.145 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.136 -1.427 3.537 1.00 7.18 H new ATOM 0 HG LEU A 67 3.411 -0.304 3.871 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.267 -1.367 2.470 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.772 -2.434 3.806 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.193 -2.751 2.153 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.746 0.159 1.443 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.674 -1.206 1.050 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.027 0.218 1.900 1.00 11.66 H new ATOM 1079 N HIS A 68 0.082 -1.579 5.977 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.217 -1.751 6.553 1.00 4.17 C ATOM 1081 C HIS A 68 -2.231 -1.116 5.649 1.00 5.32 C ATOM 1082 O HIS A 68 -2.059 0.029 5.223 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.320 -1.156 7.949 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.851 -2.206 8.953 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.480 -2.299 9.274 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.515 -3.116 9.753 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.607 -3.194 10.212 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.522 -3.705 10.571 1.00 16.30 N ATOM 0 H HIS A 68 0.307 -0.616 5.726 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.404 -2.820 6.653 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.707 -0.258 8.025 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.347 -0.860 8.161 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.573 -3.333 9.754 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.556 -3.478 10.643 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.670 -4.400 11.303 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.387 -1.824 5.286 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.413 -1.342 4.372 1.00 3.97 C ATOM 1098 C LEU A 69 -5.706 -0.864 5.056 1.00 5.07 C ATOM 1099 O LEU A 69 -6.453 -1.616 5.721 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.713 -2.525 3.445 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.871 -2.362 2.478 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.630 -1.193 1.470 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.193 -3.637 1.728 1.00 9.96 C ATOM 0 H LEU A 69 -3.590 -2.754 5.652 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.044 -0.459 3.851 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.815 -2.739 2.866 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.909 -3.400 4.064 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.735 -2.115 3.095 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.483 -1.112 0.796 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.510 -0.259 2.018 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.728 -1.392 0.891 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.029 -3.460 1.051 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.322 -3.951 1.153 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.460 -4.419 2.438 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.096 0.403 4.806 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.327 0.988 5.336 1.00 6.26 C ATOM 1117 C VAL A 70 -8.186 1.484 4.236 1.00 9.22 C ATOM 1118 O VAL A 70 -7.664 2.244 3.446 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.047 2.135 6.253 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.304 2.794 6.803 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.149 1.687 7.420 1.00 8.54 C ATOM 0 H VAL A 70 -5.557 1.046 4.226 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.833 0.197 5.890 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.533 2.882 5.648 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.025 3.618 7.460 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.905 3.176 5.978 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.883 2.061 7.365 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.956 2.535 8.077 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.650 0.899 7.983 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.205 1.309 7.028 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.475 1.047 4.152 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.387 1.491 3.081 1.00 16.06 C ATOM 1133 C LEU A 71 -11.144 2.746 3.356 1.00 18.09 C ATOM 1134 O LEU A 71 -11.535 3.116 4.471 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.253 0.309 2.481 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.404 -0.849 1.852 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.327 -1.950 1.231 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.271 -0.455 0.821 1.00 19.57 C ATOM 0 H LEU A 71 -9.894 0.393 4.813 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.724 1.804 2.274 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.882 -0.103 3.270 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.920 0.712 1.719 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.852 -1.227 2.713 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.712 -2.741 0.802 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.967 -2.369 2.008 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.946 -1.508 0.450 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.769 -1.357 0.470 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.716 0.066 -0.027 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.547 0.198 1.308 1.00 19.57 H new