USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 7 THR OG1 : rot -55:sc= 0.146 USER MOD Set 1.2: A 9 THR OG1 : rot -56:sc= 0.133 USER MOD Single : A 1 MET CE :methyl 157:sc=-0.00406 (180deg=-0.0242) USER MOD Single : A 1 MET N :NH3+ 176:sc= 2.43 (180deg=2.41) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= 1.07 (180deg=-0.467!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -57:sc= 0.109 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 25 ASN : amide:sc= 1.25 K(o=1.2,f=-1.8) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 1.14 (180deg=0.883) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= 1.26 (180deg=1.12) USER MOD Single : A 31 GLN : amide:sc= -0.657 X(o=-0.66,f=-0.79) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.12) USER MOD Single : A 40 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.012) USER MOD Single : A 41 GLN : amide:sc= 0.663 K(o=0.66,f=-1.7!) 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=-0.21) USER MOD Single : A 55 THR OG1 : rot -45:sc= 1.2 USER MOD Single : A 57 SER OG : rot -23:sc= 0.143 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0858 USER MOD Single : A 60 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.602 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 68 HIS : no HE2:sc= 0.422 K(o=0.42,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.561 -6.761 -4.656 1.00 9.67 N ATOM 2 CA MET A 1 11.590 -7.330 -3.223 1.00 10.38 C ATOM 3 C MET A 1 10.166 -7.738 -2.888 1.00 9.62 C ATOM 4 O MET A 1 9.174 -7.398 -3.600 1.00 9.62 O ATOM 5 CB MET A 1 12.107 -6.275 -2.165 1.00 13.77 C ATOM 6 CG MET A 1 11.204 -5.129 -1.935 1.00 16.29 C ATOM 7 SD MET A 1 12.077 -3.837 -1.088 1.00 17.17 S ATOM 8 CE MET A 1 10.628 -2.748 -1.016 1.00 16.11 C ATOM 0 H1 MET A 1 12.505 -6.404 -4.907 1.00 9.67 H new ATOM 0 H2 MET A 1 11.286 -7.511 -5.322 1.00 9.67 H new ATOM 0 H3 MET A 1 10.872 -5.983 -4.707 1.00 9.67 H new ATOM 0 HA MET A 1 12.281 -8.172 -3.180 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.271 -6.785 -1.216 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.074 -5.896 -2.495 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.821 -4.759 -2.886 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.343 -5.445 -1.346 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.748 -2.037 -0.199 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.533 -2.207 -1.957 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.732 -3.345 -0.849 1.00 16.11 H new ATOM 20 N GLN A 2 10.026 -8.392 -1.713 1.00 9.27 N ATOM 21 CA GLN A 2 8.775 -8.752 -1.012 1.00 9.07 C ATOM 22 C GLN A 2 8.364 -7.806 0.016 1.00 8.72 C ATOM 23 O GLN A 2 9.227 -7.428 0.821 1.00 8.22 O ATOM 24 CB GLN A 2 8.915 -10.120 -0.319 1.00 14.46 C ATOM 25 CG GLN A 2 7.677 -10.804 0.338 1.00 17.01 C ATOM 26 CD GLN A 2 7.896 -12.225 0.761 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.241 -13.132 0.278 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.789 -12.453 1.760 1.00 19.49 N ATOM 0 H GLN A 2 10.846 -8.705 -1.192 1.00 9.27 H new ATOM 0 HA GLN A 2 8.020 -8.757 -1.798 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.313 -10.816 -1.058 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.673 -10.012 0.457 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.378 -10.222 1.210 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.846 -10.773 -0.366 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.327 -11.679 2.150 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.921 -13.398 2.120 1.00 19.49 H new ATOM 37 N ILE A 3 7.027 -7.382 0.038 1.00 5.87 N ATOM 38 CA ILE A 3 6.369 -6.659 1.035 1.00 5.07 C ATOM 39 C ILE A 3 5.085 -7.396 1.224 1.00 4.01 C ATOM 40 O ILE A 3 4.693 -8.241 0.457 1.00 4.61 O ATOM 41 CB ILE A 3 6.175 -5.218 0.740 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.263 -4.984 -0.524 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.544 -4.540 0.556 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.788 -3.530 -0.789 1.00 10.83 C ATOM 0 H ILE A 3 6.402 -7.595 -0.740 1.00 5.87 H new ATOM 0 HA ILE A 3 6.970 -6.612 1.943 1.00 5.07 H new ATOM 0 HB ILE A 3 5.657 -4.770 1.588 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.807 -5.328 -1.403 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.381 -5.617 -0.427 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.400 -3.482 0.339 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.129 -4.647 1.470 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.075 -5.011 -0.272 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.170 -3.507 -1.686 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.206 -3.177 0.062 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.655 -2.884 -0.929 1.00 10.83 H new ATOM 56 N PHE A 4 4.490 -7.122 2.366 1.00 4.55 N ATOM 57 CA PHE A 4 3.277 -7.722 2.746 1.00 4.68 C ATOM 58 C PHE A 4 2.234 -6.561 2.938 1.00 5.30 C ATOM 59 O PHE A 4 2.554 -5.487 3.411 1.00 5.58 O ATOM 60 CB PHE A 4 3.395 -8.442 4.085 1.00 4.83 C ATOM 61 CG PHE A 4 4.318 -9.582 3.996 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.920 -10.746 3.323 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.493 -9.653 4.766 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.700 -11.884 3.345 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.215 -10.824 4.890 1.00 10.61 C ATOM 66 CZ PHE A 4 5.804 -11.959 4.150 1.00 8.90 C ATOM 0 H PHE A 4 4.860 -6.463 3.051 1.00 4.55 H new ATOM 0 HA PHE A 4 2.988 -8.446 1.984 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.746 -7.745 4.846 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.412 -8.791 4.401 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.987 -10.752 2.778 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.841 -8.766 5.275 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.436 -12.725 2.720 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.077 -10.873 5.539 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.361 -12.882 4.221 1.00 8.90 H new ATOM 76 N VAL A 5 0.940 -6.794 2.618 1.00 4.44 N ATOM 77 CA VAL A 5 -0.054 -5.803 2.889 1.00 3.87 C ATOM 78 C VAL A 5 -1.136 -6.439 3.754 1.00 4.93 C ATOM 79 O VAL A 5 -1.664 -7.513 3.514 1.00 6.84 O ATOM 80 CB VAL A 5 -0.695 -5.181 1.658 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.655 -4.013 2.137 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.384 -4.503 0.801 1.00 9.13 C ATOM 0 H VAL A 5 0.593 -7.649 2.182 1.00 4.44 H new ATOM 0 HA VAL A 5 0.456 -4.982 3.394 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.219 -5.957 1.100 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.127 -3.551 1.270 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.423 -4.420 2.794 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.075 -3.264 2.677 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.078 -4.058 -0.080 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.876 -3.725 1.384 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.120 -5.244 0.490 1.00 9.13 H new ATOM 92 N LYS A 6 -1.461 -5.853 4.928 1.00 6.04 N ATOM 93 CA LYS A 6 -2.297 -6.439 5.941 1.00 6.12 C ATOM 94 C LYS A 6 -3.535 -5.613 6.255 1.00 6.57 C ATOM 95 O LYS A 6 -3.442 -4.474 6.652 1.00 5.76 O ATOM 96 CB LYS A 6 -1.458 -6.643 7.234 1.00 7.45 C ATOM 97 CG LYS A 6 -2.199 -7.453 8.277 1.00 11.12 C ATOM 98 CD LYS A 6 -1.371 -7.841 9.481 1.00 14.54 C ATOM 99 CE LYS A 6 -1.901 -9.012 10.285 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.998 -9.391 11.380 1.00 20.55 N ATOM 0 H LYS A 6 -1.124 -4.925 5.183 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.654 -7.393 5.553 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.524 -7.145 6.983 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.195 -5.671 7.651 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.062 -6.881 8.616 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.582 -8.360 7.809 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.362 -8.080 9.145 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.291 -6.976 10.140 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.878 -8.756 10.695 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.047 -9.867 9.625 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.402 -10.195 11.901 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.073 -9.661 10.989 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.879 -8.585 12.026 1.00 20.55 H new ATOM 114 N THR A 7 -4.720 -6.170 5.984 1.00 7.41 N ATOM 115 CA THR A 7 -5.962 -5.538 6.147 1.00 7.48 C ATOM 116 C THR A 7 -6.522 -5.626 7.578 1.00 8.75 C ATOM 117 O THR A 7 -6.076 -6.367 8.395 1.00 8.58 O ATOM 118 CB THR A 7 -6.974 -6.119 5.134 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.393 -7.452 5.555 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.471 -6.250 3.706 1.00 9.17 C ATOM 0 H THR A 7 -4.805 -7.122 5.629 1.00 7.41 H new ATOM 0 HA THR A 7 -5.802 -4.477 5.957 1.00 7.48 H new ATOM 0 HB THR A 7 -7.787 -5.393 5.129 1.00 9.61 H new ATOM 0 HG1 THR A 7 -6.604 -8.021 5.672 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.259 -6.667 3.079 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.189 -5.267 3.328 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.603 -6.910 3.685 1.00 9.17 H new ATOM 128 N LEU A 8 -7.601 -4.902 7.867 1.00 9.84 N ATOM 129 CA LEU A 8 -8.272 -4.807 9.205 1.00 14.15 C ATOM 130 C LEU A 8 -9.405 -5.875 9.318 1.00 17.37 C ATOM 131 O LEU A 8 -9.933 -6.141 10.372 1.00 17.01 O ATOM 132 CB LEU A 8 -8.877 -3.411 9.448 1.00 16.63 C ATOM 133 CG LEU A 8 -7.952 -2.297 9.327 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.773 -1.014 9.646 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.758 -2.404 10.279 1.00 18.59 C ATOM 0 H LEU A 8 -8.068 -4.334 7.160 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.507 -4.988 9.960 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.694 -3.260 8.742 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.312 -3.392 10.447 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.528 -2.284 8.323 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.126 -0.140 9.570 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.594 -0.921 8.935 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.175 -1.081 10.657 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.104 -1.543 10.141 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.115 -2.427 11.309 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.204 -3.318 10.066 1.00 18.59 H new ATOM 147 N THR A 9 -9.565 -6.678 8.251 1.00 18.33 N ATOM 148 CA THR A 9 -10.355 -7.867 8.260 1.00 19.24 C ATOM 149 C THR A 9 -9.525 -9.027 8.697 1.00 19.48 C ATOM 150 O THR A 9 -10.112 -10.090 8.999 1.00 23.14 O ATOM 151 CB THR A 9 -11.054 -8.244 6.910 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.137 -8.959 6.088 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.591 -7.073 6.224 1.00 19.70 C ATOM 0 H THR A 9 -9.127 -6.491 7.349 1.00 18.33 H new ATOM 0 HA THR A 9 -11.161 -7.642 8.959 1.00 19.24 H new ATOM 0 HB THR A 9 -11.909 -8.884 7.129 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.327 -8.422 5.958 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.066 -7.383 5.293 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.327 -6.583 6.862 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.781 -6.377 6.004 1.00 19.70 H new ATOM 161 N GLY A 10 -8.242 -8.835 8.820 1.00 19.43 N ATOM 162 CA GLY A 10 -7.246 -9.733 9.360 1.00 18.74 C ATOM 163 C GLY A 10 -6.477 -10.460 8.263 1.00 17.62 C ATOM 164 O GLY A 10 -5.582 -11.228 8.565 1.00 19.74 O ATOM 0 H GLY A 10 -7.820 -7.958 8.515 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.548 -9.170 9.980 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.730 -10.463 10.008 1.00 18.74 H new ATOM 168 N LYS A 11 -6.898 -10.329 6.964 1.00 13.56 N ATOM 169 CA LYS A 11 -6.169 -10.946 5.843 1.00 11.91 C ATOM 170 C LYS A 11 -4.787 -10.328 5.664 1.00 10.18 C ATOM 171 O LYS A 11 -4.578 -9.150 5.879 1.00 9.10 O ATOM 172 CB LYS A 11 -6.967 -10.912 4.546 1.00 13.43 C ATOM 173 CG LYS A 11 -6.402 -11.829 3.438 1.00 16.69 C ATOM 174 CD LYS A 11 -7.202 -11.808 2.153 1.00 17.92 C ATOM 175 CE LYS A 11 -6.612 -12.741 1.064 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.470 -12.812 -0.117 1.00 21.93 N ATOM 0 H LYS A 11 -7.729 -9.806 6.687 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.030 -11.996 6.101 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.996 -11.204 4.756 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.996 -9.887 4.176 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.377 -11.529 3.220 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.362 -12.852 3.812 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.229 -12.107 2.364 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.240 -10.788 1.770 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.625 -12.381 0.774 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.479 -13.741 1.476 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.885 -12.966 -0.963 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.140 -13.600 -0.012 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.996 -11.921 -0.218 1.00 21.93 H new ATOM 190 N THR A 12 -3.780 -11.165 5.237 1.00 9.63 N ATOM 191 CA THR A 12 -2.439 -10.694 4.860 1.00 9.85 C ATOM 192 C THR A 12 -2.318 -11.079 3.386 1.00 11.66 C ATOM 193 O THR A 12 -2.771 -12.155 2.950 1.00 12.33 O ATOM 194 CB THR A 12 -1.336 -11.270 5.672 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.634 -11.044 7.062 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.053 -10.474 5.535 1.00 9.63 C ATOM 0 H THR A 12 -3.896 -12.175 5.152 1.00 9.63 H new ATOM 0 HA THR A 12 -2.338 -9.624 5.040 1.00 9.85 H new ATOM 0 HB THR A 12 -1.236 -12.307 5.353 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.917 -11.419 7.615 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.726 -10.931 6.146 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.261 -10.467 4.491 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.222 -9.451 5.870 1.00 9.63 H new ATOM 204 N ILE A 13 -1.674 -10.213 2.529 1.00 10.42 N ATOM 205 CA ILE A 13 -1.311 -10.640 1.209 1.00 11.84 C ATOM 206 C ILE A 13 0.140 -10.271 0.909 1.00 10.55 C ATOM 207 O ILE A 13 0.726 -9.439 1.577 1.00 11.92 O ATOM 208 CB ILE A 13 -2.137 -10.084 0.079 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.101 -8.488 0.002 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.579 -10.624 0.219 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.582 -7.923 -1.344 1.00 16.46 C ATOM 0 H ILE A 13 -1.420 -9.252 2.758 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.487 -11.715 1.240 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.706 -10.418 -0.865 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.722 -8.081 0.800 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.082 -8.147 0.186 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.194 -10.233 -0.591 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.566 -11.713 0.171 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.995 -10.308 1.176 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.529 -6.835 -1.321 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -1.946 -8.300 -2.145 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.612 -8.233 -1.521 1.00 16.46 H new ATOM 223 N THR A 14 0.694 -10.896 -0.166 1.00 9.39 N ATOM 224 CA THR A 14 2.094 -10.832 -0.480 1.00 9.63 C ATOM 225 C THR A 14 2.356 -10.200 -1.825 1.00 11.20 C ATOM 226 O THR A 14 1.822 -10.577 -2.868 1.00 11.63 O ATOM 227 CB THR A 14 2.685 -12.252 -0.450 1.00 10.38 C ATOM 228 OG1 THR A 14 2.523 -12.965 0.818 1.00 16.30 O ATOM 229 CG2 THR A 14 4.158 -12.320 -0.845 1.00 11.66 C ATOM 0 H THR A 14 0.152 -11.455 -0.825 1.00 9.39 H new ATOM 0 HA THR A 14 2.573 -10.202 0.270 1.00 9.63 H new ATOM 0 HB THR A 14 2.081 -12.755 -1.205 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.926 -12.441 1.542 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.500 -13.354 -0.799 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.280 -11.942 -1.860 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.747 -11.712 -0.158 1.00 11.66 H new ATOM 237 N LEU A 15 3.305 -9.189 -1.856 1.00 8.29 N ATOM 238 CA LEU A 15 3.492 -8.385 -3.066 1.00 9.03 C ATOM 239 C LEU A 15 4.930 -8.535 -3.524 1.00 8.59 C ATOM 240 O LEU A 15 5.820 -8.702 -2.664 1.00 7.79 O ATOM 241 CB LEU A 15 3.195 -6.896 -2.820 1.00 11.08 C ATOM 242 CG LEU A 15 1.704 -6.595 -2.423 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.412 -5.120 -2.465 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.760 -7.337 -3.363 1.00 15.27 C ATOM 0 H LEU A 15 3.914 -8.942 -1.076 1.00 8.29 H new ATOM 0 HA LEU A 15 2.796 -8.741 -3.825 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.851 -6.532 -2.029 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.440 -6.334 -3.721 1.00 11.08 H new ATOM 0 HG LEU A 15 1.550 -6.940 -1.401 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.373 -4.947 -2.185 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.067 -4.599 -1.767 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.584 -4.744 -3.473 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.272 -7.125 -3.084 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.934 -7.008 -4.387 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.943 -8.409 -3.291 1.00 15.27 H new ATOM 256 N GLU A 16 5.240 -8.343 -4.822 1.00 11.04 N ATOM 257 CA GLU A 16 6.593 -8.286 -5.330 1.00 11.50 C ATOM 258 C GLU A 16 6.669 -6.922 -5.989 1.00 10.13 C ATOM 259 O GLU A 16 5.782 -6.542 -6.794 1.00 9.83 O ATOM 260 CB GLU A 16 6.915 -9.333 -6.414 1.00 17.22 C ATOM 261 CG GLU A 16 8.247 -9.187 -7.245 1.00 23.33 C ATOM 262 CD GLU A 16 9.508 -9.048 -6.343 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.658 -9.779 -5.307 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.366 -8.191 -6.640 1.00 28.90 O ATOM 0 H GLU A 16 4.532 -8.223 -5.546 1.00 11.04 H new ATOM 0 HA GLU A 16 7.293 -8.473 -4.516 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.933 -10.311 -5.932 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.085 -9.341 -7.121 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.363 -10.056 -7.893 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.172 -8.314 -7.893 1.00 23.33 H new ATOM 271 N VAL A 17 7.576 -6.043 -5.522 1.00 8.99 N ATOM 272 CA VAL A 17 7.577 -4.631 -5.915 1.00 8.85 C ATOM 273 C VAL A 17 9.025 -4.188 -6.031 1.00 8.04 C ATOM 274 O VAL A 17 9.862 -4.607 -5.222 1.00 8.99 O ATOM 275 CB VAL A 17 6.941 -3.801 -4.899 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.425 -3.998 -4.863 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.560 -3.945 -3.476 1.00 10.54 C ATOM 0 H VAL A 17 8.319 -6.293 -4.869 1.00 8.99 H new ATOM 0 HA VAL A 17 7.032 -4.523 -6.853 1.00 8.85 H new ATOM 0 HB VAL A 17 7.146 -2.776 -5.210 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.993 -3.360 -4.092 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.001 -3.734 -5.832 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.199 -5.041 -4.640 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.029 -3.294 -2.781 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.472 -4.979 -3.144 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.612 -3.662 -3.507 1.00 10.54 H new ATOM 287 N GLU A 18 9.343 -3.262 -6.923 1.00 7.29 N ATOM 288 CA GLU A 18 10.615 -2.597 -6.871 1.00 7.08 C ATOM 289 C GLU A 18 10.654 -1.565 -5.764 1.00 6.45 C ATOM 290 O GLU A 18 9.629 -1.082 -5.355 1.00 5.28 O ATOM 291 CB GLU A 18 11.037 -1.992 -8.353 1.00 10.28 C ATOM 292 CG GLU A 18 11.113 -3.110 -9.464 1.00 12.65 C ATOM 293 CD GLU A 18 12.217 -4.076 -9.306 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.424 -3.652 -9.152 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.950 -5.281 -9.363 1.00 18.17 O ATOM 0 H GLU A 18 8.734 -2.962 -7.684 1.00 7.29 H new ATOM 0 HA GLU A 18 11.378 -3.334 -6.619 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.312 -1.236 -8.653 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.004 -1.494 -8.277 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.170 -3.657 -9.472 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.209 -2.628 -10.437 1.00 12.65 H new ATOM 302 N PRO A 19 11.737 -1.190 -5.118 1.00 7.24 N ATOM 303 CA PRO A 19 11.739 -0.118 -4.132 1.00 7.07 C ATOM 304 C PRO A 19 11.603 1.233 -4.900 1.00 6.65 C ATOM 305 O PRO A 19 11.164 2.131 -4.177 1.00 6.37 O ATOM 306 CB PRO A 19 13.060 -0.304 -3.339 1.00 7.61 C ATOM 307 CG PRO A 19 14.012 -0.973 -4.382 1.00 8.16 C ATOM 308 CD PRO A 19 13.109 -1.690 -5.410 1.00 7.49 C ATOM 0 HA PRO A 19 10.914 -0.129 -3.420 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.455 0.649 -2.986 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.917 -0.935 -2.461 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.637 -0.226 -4.871 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.683 -1.681 -3.896 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.407 -1.455 -6.432 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.168 -2.773 -5.302 1.00 7.49 H new ATOM 316 N SER A 20 11.849 1.360 -6.149 1.00 6.80 N ATOM 317 CA SER A 20 11.775 2.499 -6.947 1.00 6.28 C ATOM 318 C SER A 20 10.417 2.592 -7.620 1.00 8.45 C ATOM 319 O SER A 20 10.200 3.553 -8.319 1.00 7.26 O ATOM 320 CB SER A 20 12.773 2.311 -8.144 1.00 8.57 C ATOM 321 OG SER A 20 12.614 1.094 -8.839 1.00 11.13 O ATOM 0 H SER A 20 12.146 0.552 -6.696 1.00 6.80 H new ATOM 0 HA SER A 20 11.979 3.367 -6.320 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.644 3.137 -8.844 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.793 2.370 -7.765 1.00 8.57 H new ATOM 0 HG SER A 20 13.266 1.047 -9.570 1.00 11.13 H new ATOM 327 N ASP A 21 9.479 1.694 -7.303 1.00 7.50 N ATOM 328 CA ASP A 21 8.099 1.790 -7.673 1.00 7.70 C ATOM 329 C ASP A 21 7.306 2.701 -6.753 1.00 7.08 C ATOM 330 O ASP A 21 7.578 2.993 -5.599 1.00 8.11 O ATOM 331 CB ASP A 21 7.513 0.361 -7.767 1.00 11.00 C ATOM 332 CG ASP A 21 6.443 0.323 -8.817 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.282 1.225 -9.640 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.799 -0.762 -8.883 1.00 14.36 O ATOM 0 H ASP A 21 9.687 0.856 -6.761 1.00 7.50 H new ATOM 0 HA ASP A 21 8.023 2.265 -8.651 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.302 -0.351 -8.011 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.101 0.062 -6.803 1.00 11.00 H new ATOM 339 N THR A 22 6.218 3.258 -7.372 1.00 5.37 N ATOM 340 CA THR A 22 5.475 4.306 -6.640 1.00 6.01 C ATOM 341 C THR A 22 4.345 3.712 -5.771 1.00 8.01 C ATOM 342 O THR A 22 3.883 2.584 -5.991 1.00 8.11 O ATOM 343 CB THR A 22 4.798 5.409 -7.540 1.00 8.92 C ATOM 344 OG1 THR A 22 3.707 4.891 -8.278 1.00 10.22 O ATOM 345 CG2 THR A 22 5.819 6.035 -8.505 1.00 9.65 C ATOM 0 H THR A 22 5.867 3.018 -8.299 1.00 5.37 H new ATOM 0 HA THR A 22 6.257 4.774 -6.042 1.00 6.01 H new ATOM 0 HB THR A 22 4.422 6.178 -6.865 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.312 5.604 -8.822 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.327 6.793 -9.114 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.624 6.496 -7.934 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.231 5.260 -9.152 1.00 9.65 H new ATOM 353 N ILE A 23 3.888 4.460 -4.797 1.00 8.32 N ATOM 354 CA ILE A 23 2.784 4.114 -3.931 1.00 9.92 C ATOM 355 C ILE A 23 1.536 3.757 -4.764 1.00 10.01 C ATOM 356 O ILE A 23 0.931 2.655 -4.584 1.00 8.71 O ATOM 357 CB ILE A 23 2.483 5.077 -2.813 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.785 5.249 -1.909 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.282 4.567 -1.953 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.439 3.988 -1.269 1.00 12.30 C ATOM 0 H ILE A 23 4.293 5.369 -4.575 1.00 8.32 H new ATOM 0 HA ILE A 23 3.119 3.230 -3.389 1.00 9.92 H new ATOM 0 HB ILE A 23 2.204 6.043 -3.235 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.545 5.739 -2.518 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.534 5.935 -1.100 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.081 5.277 -1.151 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.398 4.472 -2.583 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.528 3.596 -1.524 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.312 4.286 -0.688 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.719 3.497 -0.615 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.745 3.298 -2.055 1.00 12.30 H new ATOM 372 N GLU A 24 1.188 4.625 -5.764 1.00 9.54 N ATOM 373 CA GLU A 24 0.132 4.421 -6.663 1.00 11.81 C ATOM 374 C GLU A 24 0.118 3.126 -7.461 1.00 11.14 C ATOM 375 O GLU A 24 -0.848 2.374 -7.543 1.00 10.62 O ATOM 376 CB GLU A 24 0.186 5.589 -7.692 1.00 19.24 C ATOM 377 CG GLU A 24 -1.133 5.673 -8.588 1.00 27.76 C ATOM 378 CD GLU A 24 -0.968 6.877 -9.511 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.067 6.976 -10.194 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.789 7.815 -9.446 1.00 36.51 O ATOM 0 H GLU A 24 1.686 5.500 -5.926 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.761 4.370 -6.040 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.322 6.531 -7.161 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.054 5.460 -8.339 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.265 4.759 -9.166 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.018 5.785 -7.962 1.00 27.76 H new ATOM 387 N ASN A 25 1.294 2.815 -8.011 1.00 9.43 N ATOM 388 CA ASN A 25 1.501 1.502 -8.618 1.00 10.96 C ATOM 389 C ASN A 25 1.241 0.268 -7.697 1.00 9.68 C ATOM 390 O ASN A 25 0.783 -0.820 -8.086 1.00 9.33 O ATOM 391 CB ASN A 25 2.957 1.359 -9.214 1.00 16.78 C ATOM 392 CG ASN A 25 3.088 2.351 -10.393 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.143 3.042 -10.797 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.313 2.425 -10.919 1.00 24.70 N ATOM 0 H ASN A 25 2.100 3.439 -8.048 1.00 9.43 H new ATOM 0 HA ASN A 25 0.739 1.480 -9.397 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.705 1.573 -8.450 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.132 0.338 -9.553 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.500 3.071 -11.686 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.061 1.836 -10.554 1.00 24.70 H new ATOM 401 N VAL A 26 1.608 0.388 -6.396 1.00 6.52 N ATOM 402 CA VAL A 26 1.421 -0.620 -5.354 1.00 5.53 C ATOM 403 C VAL A 26 -0.133 -0.718 -5.046 1.00 4.42 C ATOM 404 O VAL A 26 -0.716 -1.818 -4.927 1.00 3.40 O ATOM 405 CB VAL A 26 2.244 -0.331 -4.098 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.856 -1.322 -3.018 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.749 -0.533 -4.467 1.00 8.12 C ATOM 0 H VAL A 26 2.061 1.231 -6.043 1.00 6.52 H new ATOM 0 HA VAL A 26 1.790 -1.582 -5.710 1.00 5.53 H new ATOM 0 HB VAL A 26 2.068 0.683 -3.738 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.437 -1.125 -2.117 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.794 -1.219 -2.794 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.057 -2.336 -3.365 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.368 -0.335 -3.592 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.908 -1.559 -4.799 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.023 0.154 -5.268 1.00 8.12 H new ATOM 417 N LYS A 27 -0.894 0.421 -4.969 1.00 2.64 N ATOM 418 CA LYS A 27 -2.313 0.408 -4.761 1.00 4.14 C ATOM 419 C LYS A 27 -3.018 -0.229 -6.000 1.00 5.58 C ATOM 420 O LYS A 27 -4.059 -0.872 -5.869 1.00 4.11 O ATOM 421 CB LYS A 27 -2.960 1.812 -4.473 1.00 3.97 C ATOM 422 CG LYS A 27 -2.435 2.491 -3.261 1.00 7.45 C ATOM 423 CD LYS A 27 -2.964 3.964 -3.203 1.00 9.02 C ATOM 424 CE LYS A 27 -2.926 4.566 -1.814 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.278 5.914 -1.862 1.00 15.47 N ATOM 0 H LYS A 27 -0.502 1.359 -5.055 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.464 -0.183 -3.858 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.797 2.458 -5.336 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.038 1.687 -4.367 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.744 1.949 -2.367 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.345 2.487 -3.275 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.368 4.582 -3.875 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.989 3.988 -3.573 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.610 4.028 -1.158 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.927 4.459 -1.391 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.512 6.246 -0.905 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.481 6.468 -2.235 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.104 6.035 -2.482 1.00 15.47 H new ATOM 439 N ALA A 28 -2.410 -0.084 -7.194 1.00 6.61 N ATOM 440 CA ALA A 28 -2.820 -0.873 -8.350 1.00 7.74 C ATOM 441 C ALA A 28 -2.652 -2.404 -8.239 1.00 9.17 C ATOM 442 O ALA A 28 -3.617 -3.115 -8.505 1.00 11.45 O ATOM 443 CB ALA A 28 -2.184 -0.266 -9.610 1.00 7.68 C ATOM 0 H ALA A 28 -1.644 0.566 -7.372 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.906 -0.798 -8.410 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.482 -0.846 -10.483 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.520 0.764 -9.727 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.098 -0.285 -9.515 1.00 7.68 H new ATOM 449 N LYS A 29 -1.510 -2.899 -7.764 1.00 8.96 N ATOM 450 CA LYS A 29 -1.113 -4.276 -7.548 1.00 7.90 C ATOM 451 C LYS A 29 -1.950 -4.982 -6.548 1.00 6.92 C ATOM 452 O LYS A 29 -2.278 -6.104 -6.743 1.00 6.87 O ATOM 453 CB LYS A 29 0.371 -4.292 -7.071 1.00 10.28 C ATOM 454 CG LYS A 29 0.981 -5.720 -7.221 1.00 14.94 C ATOM 455 CD LYS A 29 2.547 -5.578 -7.284 1.00 19.69 C ATOM 456 CE LYS A 29 3.098 -5.427 -8.730 1.00 22.63 C ATOM 457 NZ LYS A 29 4.507 -5.016 -8.638 1.00 24.98 N ATOM 0 H LYS A 29 -0.759 -2.265 -7.492 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.242 -4.803 -8.493 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.954 -3.579 -7.654 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.427 -3.974 -6.030 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.689 -6.349 -6.380 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.606 -6.201 -8.124 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.849 -4.711 -6.696 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.002 -6.453 -6.820 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.010 -6.369 -9.272 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.520 -4.686 -9.283 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.040 -5.422 -9.433 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.569 -3.978 -8.674 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.910 -5.356 -7.742 1.00 24.98 H new ATOM 471 N ILE A 30 -2.352 -4.236 -5.451 1.00 4.57 N ATOM 472 CA ILE A 30 -3.283 -4.689 -4.494 1.00 5.58 C ATOM 473 C ILE A 30 -4.708 -4.849 -5.085 1.00 7.26 C ATOM 474 O ILE A 30 -5.433 -5.865 -4.870 1.00 9.46 O ATOM 475 CB ILE A 30 -3.349 -3.755 -3.322 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.965 -3.693 -2.588 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.401 -4.112 -2.246 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.806 -2.478 -1.656 1.00 2.00 C ATOM 0 H ILE A 30 -1.998 -3.299 -5.260 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.931 -5.668 -4.170 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.637 -2.804 -3.769 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.833 -4.605 -2.006 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.170 -3.673 -3.334 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.366 -3.375 -1.444 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.394 -4.113 -2.695 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.185 -5.100 -1.840 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.823 -2.506 -1.186 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.905 -1.560 -2.235 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.577 -2.506 -0.886 1.00 2.00 H new ATOM 490 N GLN A 31 -5.169 -3.873 -5.992 1.00 7.06 N ATOM 491 CA GLN A 31 -6.491 -3.946 -6.650 1.00 8.67 C ATOM 492 C GLN A 31 -6.525 -5.120 -7.523 1.00 10.90 C ATOM 493 O GLN A 31 -7.568 -5.820 -7.664 1.00 9.63 O ATOM 494 CB GLN A 31 -6.690 -2.681 -7.490 1.00 9.12 C ATOM 495 CG GLN A 31 -8.127 -2.559 -8.115 1.00 10.76 C ATOM 496 CD GLN A 31 -8.534 -1.326 -8.882 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.688 -0.901 -8.811 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.634 -0.767 -9.692 1.00 14.76 N ATOM 0 H GLN A 31 -4.624 -3.052 -6.255 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.281 -4.024 -5.903 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.499 -1.807 -6.867 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.952 -2.668 -8.292 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.259 -3.410 -8.784 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.842 -2.680 -7.301 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.685 -1.138 -9.733 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.895 0.031 -10.271 1.00 14.76 H new ATOM 507 N ASP A 32 -5.383 -5.460 -8.114 1.00 10.93 N ATOM 508 CA ASP A 32 -5.178 -6.565 -8.948 1.00 14.01 C ATOM 509 C ASP A 32 -5.386 -7.957 -8.346 1.00 14.04 C ATOM 510 O ASP A 32 -5.868 -8.851 -9.079 1.00 13.39 O ATOM 511 CB ASP A 32 -3.742 -6.538 -9.533 1.00 18.01 C ATOM 512 CG ASP A 32 -3.687 -7.310 -10.857 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.377 -6.868 -11.774 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.910 -8.291 -10.997 1.00 26.29 O ATOM 0 H ASP A 32 -4.534 -4.908 -7.992 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.963 -6.440 -9.694 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.428 -5.507 -9.693 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.044 -6.977 -8.820 1.00 18.01 H new ATOM 519 N LYS A 33 -5.010 -8.105 -7.039 1.00 14.22 N ATOM 520 CA LYS A 33 -5.253 -9.311 -6.260 1.00 14.00 C ATOM 521 C LYS A 33 -6.570 -9.366 -5.518 1.00 12.37 C ATOM 522 O LYS A 33 -7.392 -10.285 -5.662 1.00 12.17 O ATOM 523 CB LYS A 33 -4.140 -9.335 -5.253 1.00 18.62 C ATOM 524 CG LYS A 33 -2.766 -9.451 -5.885 1.00 24.00 C ATOM 525 CD LYS A 33 -1.663 -9.972 -4.945 1.00 27.61 C ATOM 526 CE LYS A 33 -0.455 -10.312 -5.837 1.00 27.64 C ATOM 527 NZ LYS A 33 0.442 -11.189 -5.058 1.00 30.06 N ATOM 0 H LYS A 33 -4.529 -7.374 -6.515 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.294 -10.159 -6.944 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.182 -8.426 -4.653 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.292 -10.173 -4.573 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.833 -10.115 -6.746 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.471 -8.471 -6.260 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.398 -9.219 -4.203 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.002 -10.852 -4.399 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.781 -10.811 -6.749 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.066 -9.403 -6.139 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.117 -11.653 -5.699 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.963 -10.621 -4.360 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.121 -11.912 -4.565 1.00 30.06 H new ATOM 541 N GLU A 34 -6.940 -8.287 -4.786 1.00 10.11 N ATOM 542 CA GLU A 34 -8.043 -8.220 -3.849 1.00 10.07 C ATOM 543 C GLU A 34 -9.247 -7.404 -4.355 1.00 9.32 C ATOM 544 O GLU A 34 -10.295 -7.318 -3.677 1.00 11.61 O ATOM 545 CB GLU A 34 -7.538 -7.744 -2.456 1.00 14.77 C ATOM 546 CG GLU A 34 -6.437 -8.663 -1.820 1.00 18.75 C ATOM 547 CD GLU A 34 -6.925 -10.068 -1.558 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.969 -10.297 -0.918 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.240 -11.044 -1.992 1.00 21.95 O ATOM 0 H GLU A 34 -6.437 -7.402 -4.851 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.433 -9.233 -3.746 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.140 -6.734 -2.552 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.387 -7.689 -1.774 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.574 -8.701 -2.485 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.098 -8.221 -0.883 1.00 18.75 H new ATOM 556 N GLY A 35 -9.135 -6.825 -5.557 1.00 7.22 N ATOM 557 CA GLY A 35 -10.234 -6.121 -6.135 1.00 6.29 C ATOM 558 C GLY A 35 -10.451 -4.761 -5.680 1.00 6.93 C ATOM 559 O GLY A 35 -11.155 -4.022 -6.376 1.00 7.41 O ATOM 0 H GLY A 35 -8.290 -6.842 -6.128 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.093 -6.099 -7.216 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.142 -6.692 -5.943 1.00 6.29 H new ATOM 563 N ILE A 36 -9.968 -4.371 -4.470 1.00 5.86 N ATOM 564 CA ILE A 36 -10.246 -3.137 -3.793 1.00 6.07 C ATOM 565 C ILE A 36 -9.937 -1.862 -4.539 1.00 6.36 C ATOM 566 O ILE A 36 -8.770 -1.726 -4.867 1.00 6.18 O ATOM 567 CB ILE A 36 -9.492 -3.045 -2.450 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.670 -4.431 -1.716 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.826 -1.715 -1.716 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.912 -4.547 -0.378 1.00 9.49 C ATOM 0 H ILE A 36 -9.338 -4.968 -3.933 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.328 -3.191 -3.676 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.411 -2.936 -2.538 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.732 -4.598 -1.533 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.332 -5.226 -2.381 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.282 -1.674 -0.772 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.533 -0.871 -2.341 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.897 -1.667 -1.520 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.090 -5.530 0.057 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.844 -4.415 -0.552 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.265 -3.777 0.308 1.00 9.49 H new ATOM 582 N PRO A 37 -10.926 -0.924 -4.782 1.00 8.65 N ATOM 583 CA PRO A 37 -10.672 0.332 -5.499 1.00 9.18 C ATOM 584 C PRO A 37 -9.538 1.269 -4.903 1.00 9.85 C ATOM 585 O PRO A 37 -9.732 1.498 -3.742 1.00 8.51 O ATOM 586 CB PRO A 37 -12.033 1.002 -5.478 1.00 11.42 C ATOM 587 CG PRO A 37 -13.043 -0.131 -5.401 1.00 9.27 C ATOM 588 CD PRO A 37 -12.354 -1.179 -4.526 1.00 8.33 C ATOM 0 HA PRO A 37 -10.270 0.132 -6.492 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.128 1.671 -4.623 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.187 1.605 -6.373 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.983 0.201 -4.961 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.276 -0.527 -6.390 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.605 -1.056 -3.473 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.641 -2.193 -4.806 1.00 8.33 H new ATOM 596 N PRO A 38 -8.539 1.775 -5.543 1.00 8.71 N ATOM 597 CA PRO A 38 -7.346 2.369 -4.887 1.00 9.08 C ATOM 598 C PRO A 38 -7.765 3.794 -4.403 1.00 9.28 C ATOM 599 O PRO A 38 -6.987 4.384 -3.655 1.00 6.50 O ATOM 600 CB PRO A 38 -6.226 2.370 -5.950 1.00 10.31 C ATOM 601 CG PRO A 38 -7.063 2.395 -7.206 1.00 10.81 C ATOM 602 CD PRO A 38 -8.225 1.424 -6.908 1.00 12.00 C ATOM 0 HA PRO A 38 -6.979 1.825 -4.017 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.572 3.238 -5.867 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.591 1.486 -5.889 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.429 3.399 -7.421 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.488 2.073 -8.074 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.071 1.577 -7.578 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.925 0.381 -7.006 1.00 12.00 H new ATOM 610 N ASP A 39 -8.865 4.283 -4.922 1.00 11.20 N ATOM 611 CA ASP A 39 -9.432 5.563 -4.549 1.00 14.96 C ATOM 612 C ASP A 39 -10.140 5.456 -3.217 1.00 13.99 C ATOM 613 O ASP A 39 -10.434 6.426 -2.540 1.00 13.75 O ATOM 614 CB ASP A 39 -10.474 6.032 -5.674 1.00 24.16 C ATOM 615 CG ASP A 39 -9.664 6.157 -6.985 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.861 7.166 -7.001 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.971 5.438 -7.931 1.00 34.22 O ATOM 0 H ASP A 39 -9.407 3.792 -5.633 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.629 6.295 -4.463 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.282 5.308 -5.783 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.933 6.984 -5.407 1.00 24.16 H new ATOM 622 N GLN A 40 -10.399 4.195 -2.757 1.00 11.60 N ATOM 623 CA GLN A 40 -10.843 3.878 -1.361 1.00 10.76 C ATOM 624 C GLN A 40 -9.724 3.231 -0.455 1.00 8.01 C ATOM 625 O GLN A 40 -9.996 2.794 0.662 1.00 8.96 O ATOM 626 CB GLN A 40 -11.966 2.869 -1.429 1.00 11.14 C ATOM 627 CG GLN A 40 -13.358 3.380 -1.969 1.00 14.85 C ATOM 628 CD GLN A 40 -14.333 2.247 -2.082 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.616 1.643 -1.049 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.929 1.944 -3.291 1.00 18.16 N ATOM 0 H GLN A 40 -10.306 3.367 -3.345 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.131 4.831 -0.918 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.641 2.042 -2.061 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.119 2.465 -0.428 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.755 4.142 -1.299 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.225 3.850 -2.943 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.673 2.464 -4.130 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.625 1.201 -3.344 1.00 18.16 H new ATOM 639 N GLN A 41 -8.428 3.224 -0.878 1.00 6.52 N ATOM 640 CA GLN A 41 -7.340 2.575 -0.031 1.00 3.87 C ATOM 641 C GLN A 41 -6.455 3.653 0.620 1.00 4.79 C ATOM 642 O GLN A 41 -5.918 4.446 -0.145 1.00 6.34 O ATOM 643 CB GLN A 41 -6.373 1.739 -0.913 1.00 4.20 C ATOM 644 CG GLN A 41 -7.016 0.513 -1.527 1.00 3.20 C ATOM 645 CD GLN A 41 -6.052 -0.468 -2.244 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.885 -0.422 -1.855 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.485 -1.259 -3.252 1.00 7.13 N ATOM 0 H GLN A 41 -8.104 3.634 -1.754 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.850 1.956 0.707 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.983 2.372 -1.710 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.521 1.428 -0.308 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.540 -0.031 -0.741 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.769 0.841 -2.243 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.468 -1.247 -3.523 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.828 -1.867 -3.741 1.00 7.13 H new ATOM 656 N ARG A 42 -6.251 3.636 1.992 1.00 5.73 N ATOM 657 CA ARG A 42 -5.163 4.312 2.703 1.00 6.97 C ATOM 658 C ARG A 42 -4.176 3.235 3.092 1.00 7.15 C ATOM 659 O ARG A 42 -4.497 2.175 3.626 1.00 7.33 O ATOM 660 CB ARG A 42 -5.660 5.115 3.882 1.00 13.23 C ATOM 661 CG ARG A 42 -6.464 6.345 3.393 1.00 21.27 C ATOM 662 CD ARG A 42 -6.977 7.210 4.590 1.00 26.14 C ATOM 663 NE ARG A 42 -7.666 8.490 4.210 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.884 8.891 4.614 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.472 8.334 5.667 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.512 9.889 3.939 1.00 36.39 N ATOM 0 H ARG A 42 -6.873 3.129 2.622 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.680 5.053 2.066 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.288 4.491 4.517 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.816 5.442 4.490 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.836 6.956 2.744 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.312 6.012 2.794 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.666 6.608 5.182 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.130 7.450 5.233 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.160 9.116 3.584 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.999 7.591 6.181 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.396 8.649 5.961 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.059 10.325 3.136 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.436 10.202 4.236 1.00 36.39 H new ATOM 680 N LEU A 43 -2.935 3.514 2.825 1.00 4.65 N ATOM 681 CA LEU A 43 -1.903 2.510 3.146 1.00 3.51 C ATOM 682 C LEU A 43 -0.984 3.137 4.205 1.00 5.56 C ATOM 683 O LEU A 43 -0.403 4.210 3.982 1.00 4.19 O ATOM 684 CB LEU A 43 -1.021 1.964 1.971 1.00 3.74 C ATOM 685 CG LEU A 43 -1.685 1.287 0.767 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.594 0.791 -0.187 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.668 0.208 1.121 1.00 6.41 C ATOM 0 H LEU A 43 -2.599 4.381 2.405 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.452 1.629 3.477 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.434 2.800 1.590 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.318 1.249 2.398 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.299 2.038 0.269 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.056 0.307 -1.048 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.006 1.636 -0.524 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.045 0.076 0.331 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.088 -0.215 0.209 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.161 -0.576 1.684 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.469 0.630 1.728 1.00 6.41 H new ATOM 699 N ILE A 44 -0.898 2.496 5.349 1.00 4.58 N ATOM 700 CA ILE A 44 -0.348 3.132 6.545 1.00 5.55 C ATOM 701 C ILE A 44 0.889 2.359 6.932 1.00 5.46 C ATOM 702 O ILE A 44 0.729 1.185 7.203 1.00 6.04 O ATOM 703 CB ILE A 44 -1.337 3.262 7.739 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.710 3.772 7.306 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.534 4.126 8.736 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.732 5.247 6.697 1.00 13.90 C ATOM 0 H ILE A 44 -1.200 1.532 5.486 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.117 4.168 6.298 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.634 2.324 8.208 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.117 3.085 6.564 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.378 3.743 8.167 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.129 4.293 9.634 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.389 3.611 9.003 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.295 5.085 8.276 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.753 5.512 6.422 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.362 5.953 7.440 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.096 5.285 5.812 1.00 13.90 H new ATOM 718 N PHE A 45 2.035 2.975 6.960 1.00 6.75 N ATOM 719 CA PHE A 45 3.267 2.449 7.508 1.00 4.70 C ATOM 720 C PHE A 45 3.953 3.419 8.405 1.00 6.34 C ATOM 721 O PHE A 45 4.199 4.489 7.888 1.00 5.45 O ATOM 722 CB PHE A 45 4.067 1.835 6.348 1.00 5.51 C ATOM 723 CG PHE A 45 5.352 1.167 6.811 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.226 -0.075 7.422 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.611 1.680 6.520 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.383 -0.838 7.799 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.713 0.912 6.811 1.00 6.64 C ATOM 728 CZ PHE A 45 7.642 -0.275 7.500 1.00 6.84 C ATOM 0 H PHE A 45 2.149 3.915 6.580 1.00 6.75 H new ATOM 0 HA PHE A 45 3.095 1.634 8.211 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.447 1.102 5.832 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.307 2.615 5.625 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.241 -0.473 7.617 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.720 2.658 6.076 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.294 -1.797 8.288 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.682 1.258 6.482 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.547 -0.775 7.812 1.00 6.84 H new ATOM 738 N ALA A 46 4.369 3.041 9.655 1.00 6.53 N ATOM 739 CA ALA A 46 5.137 3.874 10.571 1.00 7.15 C ATOM 740 C ALA A 46 4.553 5.127 10.993 1.00 9.00 C ATOM 741 O ALA A 46 5.258 6.177 11.059 1.00 11.15 O ATOM 742 CB ALA A 46 6.513 4.200 9.956 1.00 8.99 C ATOM 0 H ALA A 46 4.161 2.120 10.040 1.00 6.53 H new ATOM 0 HA ALA A 46 5.184 3.256 11.468 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.082 4.823 10.646 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.057 3.274 9.770 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.374 4.734 9.016 1.00 8.99 H new ATOM 748 N GLY A 47 3.236 5.186 11.236 1.00 9.35 N ATOM 749 CA GLY A 47 2.375 6.282 11.498 1.00 11.68 C ATOM 750 C GLY A 47 2.180 7.190 10.297 1.00 11.14 C ATOM 751 O GLY A 47 1.556 8.243 10.459 1.00 13.93 O ATOM 0 H GLY A 47 2.700 4.318 11.248 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.405 5.904 11.821 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.781 6.865 12.324 1.00 11.68 H new ATOM 755 N LYS A 48 2.561 6.854 9.088 1.00 10.47 N ATOM 756 CA LYS A 48 2.582 7.696 7.921 1.00 8.82 C ATOM 757 C LYS A 48 1.558 7.201 6.898 1.00 7.68 C ATOM 758 O LYS A 48 1.520 5.983 6.634 1.00 6.47 O ATOM 759 CB LYS A 48 3.978 7.623 7.203 1.00 9.74 C ATOM 760 CG LYS A 48 5.200 7.930 8.077 1.00 14.14 C ATOM 761 CD LYS A 48 6.560 7.875 7.407 1.00 16.32 C ATOM 762 CE LYS A 48 7.730 8.281 8.296 1.00 20.04 C ATOM 763 NZ LYS A 48 8.857 8.722 7.464 1.00 23.92 N ATOM 0 H LYS A 48 2.890 5.911 8.881 1.00 10.47 H new ATOM 0 HA LYS A 48 2.365 8.711 8.255 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.097 6.624 6.784 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.971 8.321 6.365 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.071 8.926 8.500 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.205 7.228 8.911 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.731 6.860 7.047 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.545 8.525 6.532 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.426 9.083 8.968 1.00 20.04 H new ATOM 0 HE3 LYS A 48 8.034 7.440 8.920 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.652 8.998 8.075 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.153 7.944 6.840 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.565 9.537 6.887 1.00 23.92 H new ATOM 777 N GLN A 49 0.745 8.078 6.389 1.00 8.89 N ATOM 778 CA GLN A 49 -0.163 7.722 5.347 1.00 7.18 C ATOM 779 C GLN A 49 0.570 7.876 4.053 1.00 8.23 C ATOM 780 O GLN A 49 0.992 8.968 3.683 1.00 9.70 O ATOM 781 CB GLN A 49 -1.363 8.676 5.353 1.00 11.67 C ATOM 782 CG GLN A 49 -2.570 8.349 4.376 1.00 15.82 C ATOM 783 CD GLN A 49 -3.527 9.548 4.379 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.474 9.513 5.158 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.276 10.578 3.580 1.00 20.67 N ATOM 0 H GLN A 49 0.694 9.053 6.684 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.523 6.702 5.485 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.755 8.715 6.369 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.999 9.675 5.113 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.202 8.159 3.368 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.089 7.447 4.701 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.473 10.552 2.952 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.886 11.395 3.594 1.00 20.67 H new ATOM 794 N LEU A 50 0.877 6.744 3.324 1.00 6.51 N ATOM 795 CA LEU A 50 1.683 6.675 2.166 1.00 7.41 C ATOM 796 C LEU A 50 1.039 7.451 0.895 1.00 8.27 C ATOM 797 O LEU A 50 -0.188 7.447 0.619 1.00 8.34 O ATOM 798 CB LEU A 50 2.058 5.273 1.779 1.00 7.13 C ATOM 799 CG LEU A 50 2.693 4.437 2.918 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.776 2.922 2.549 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.058 4.983 3.309 1.00 9.11 C ATOM 0 H LEU A 50 0.518 5.828 3.593 1.00 6.51 H new ATOM 0 HA LEU A 50 2.599 7.194 2.448 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.166 4.758 1.422 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.757 5.315 0.944 1.00 7.13 H new ATOM 0 HG LEU A 50 2.038 4.524 3.785 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.227 2.371 3.374 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.773 2.538 2.361 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.385 2.798 1.654 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.477 4.375 4.110 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.723 4.954 2.446 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.954 6.012 3.652 1.00 9.11 H new ATOM 813 N GLU A 51 1.936 8.150 0.134 1.00 9.43 N ATOM 814 CA GLU A 51 1.459 9.085 -0.869 1.00 11.90 C ATOM 815 C GLU A 51 1.864 8.622 -2.237 1.00 11.49 C ATOM 816 O GLU A 51 3.019 8.349 -2.507 1.00 9.88 O ATOM 817 CB GLU A 51 2.031 10.532 -0.591 1.00 16.56 C ATOM 818 CG GLU A 51 1.368 11.643 -1.465 1.00 26.06 C ATOM 819 CD GLU A 51 2.040 13.003 -1.287 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.207 13.029 -1.760 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.446 13.957 -0.713 1.00 33.44 O ATOM 0 H GLU A 51 2.950 8.072 0.209 1.00 9.43 H new ATOM 0 HA GLU A 51 0.371 9.127 -0.818 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.887 10.775 0.462 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.106 10.530 -0.773 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.415 11.352 -2.514 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.313 11.725 -1.204 1.00 26.06 H new ATOM 828 N ASP A 52 0.893 8.590 -3.122 1.00 12.71 N ATOM 829 CA ASP A 52 0.792 8.061 -4.473 1.00 16.56 C ATOM 830 C ASP A 52 1.949 8.464 -5.400 1.00 15.83 C ATOM 831 O ASP A 52 2.432 7.601 -6.137 1.00 17.21 O ATOM 832 CB ASP A 52 -0.626 8.375 -5.088 1.00 21.05 C ATOM 833 CG ASP A 52 -1.697 7.562 -4.494 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.588 7.236 -3.248 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.687 7.284 -5.201 1.00 28.37 O ATOM 0 H ASP A 52 -0.001 9.008 -2.865 1.00 12.71 H new ATOM 0 HA ASP A 52 0.892 6.979 -4.389 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.854 9.431 -4.943 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.597 8.200 -6.164 1.00 21.05 H new ATOM 840 N GLY A 53 2.405 9.749 -5.297 1.00 15.00 N ATOM 841 CA GLY A 53 3.485 10.244 -6.141 1.00 11.77 C ATOM 842 C GLY A 53 4.892 9.945 -5.743 1.00 11.10 C ATOM 843 O GLY A 53 5.808 10.201 -6.540 1.00 11.25 O ATOM 0 H GLY A 53 2.033 10.436 -4.641 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.332 9.845 -7.144 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.383 11.327 -6.210 1.00 11.77 H new ATOM 847 N ARG A 54 5.191 9.337 -4.599 1.00 8.53 N ATOM 848 CA ARG A 54 6.461 8.908 -4.027 1.00 9.05 C ATOM 849 C ARG A 54 6.686 7.445 -4.094 1.00 8.96 C ATOM 850 O ARG A 54 5.785 6.690 -4.392 1.00 11.60 O ATOM 851 CB ARG A 54 6.685 9.421 -2.565 1.00 7.97 C ATOM 852 CG ARG A 54 6.006 10.764 -2.190 1.00 9.62 C ATOM 853 CD ARG A 54 6.372 11.205 -0.767 1.00 12.20 C ATOM 854 NE ARG A 54 5.421 12.293 -0.357 1.00 18.23 N ATOM 855 CZ ARG A 54 5.494 13.170 0.693 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.538 13.163 1.589 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.470 13.921 0.951 1.00 23.38 N ATOM 0 H ARG A 54 4.433 9.100 -3.959 1.00 8.53 H new ATOM 0 HA ARG A 54 7.206 9.380 -4.668 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.329 8.655 -1.876 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.758 9.524 -2.400 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.307 11.535 -2.899 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.924 10.661 -2.272 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.306 10.362 -0.079 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.400 11.565 -0.733 1.00 12.20 H new ATOM 0 HE ARG A 54 4.597 12.394 -0.949 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.295 12.488 1.485 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.555 13.833 2.358 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.630 13.853 0.377 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.504 14.580 1.728 1.00 23.38 H new ATOM 871 N THR A 55 7.942 7.012 -3.835 1.00 9.05 N ATOM 872 CA THR A 55 8.331 5.603 -3.895 1.00 9.03 C ATOM 873 C THR A 55 8.395 4.990 -2.531 1.00 8.15 C ATOM 874 O THR A 55 8.482 5.677 -1.488 1.00 5.91 O ATOM 875 CB THR A 55 9.615 5.317 -4.687 1.00 11.15 C ATOM 876 OG1 THR A 55 10.804 5.660 -4.082 1.00 11.95 O ATOM 877 CG2 THR A 55 9.624 6.024 -6.050 1.00 11.71 C ATOM 0 H THR A 55 8.706 7.637 -3.580 1.00 9.05 H new ATOM 0 HA THR A 55 7.533 5.125 -4.463 1.00 9.03 H new ATOM 0 HB THR A 55 9.575 4.231 -4.769 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.723 6.552 -3.684 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.551 5.792 -6.574 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.777 5.681 -6.643 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.551 7.101 -5.902 1.00 11.71 H new ATOM 885 N LEU A 56 8.389 3.636 -2.491 1.00 6.91 N ATOM 886 CA LEU A 56 8.581 2.795 -1.339 1.00 8.29 C ATOM 887 C LEU A 56 9.911 3.080 -0.688 1.00 8.05 C ATOM 888 O LEU A 56 10.057 3.129 0.504 1.00 10.17 O ATOM 889 CB LEU A 56 8.526 1.319 -1.923 1.00 6.60 C ATOM 890 CG LEU A 56 7.109 0.803 -2.298 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.141 -0.701 -2.695 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.224 0.724 -1.007 1.00 8.64 C ATOM 0 H LEU A 56 8.237 3.087 -3.337 1.00 6.91 H new ATOM 0 HA LEU A 56 7.831 2.959 -0.565 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.157 1.274 -2.810 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.959 0.640 -1.189 1.00 6.60 H new ATOM 0 HG LEU A 56 6.752 1.468 -3.084 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.134 -1.031 -2.952 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.797 -0.837 -3.555 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.514 -1.291 -1.857 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.230 0.362 -1.269 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.683 0.040 -0.293 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.143 1.715 -0.560 1.00 8.64 H new ATOM 904 N SER A 57 10.963 3.424 -1.454 1.00 8.92 N ATOM 905 CA SER A 57 12.257 3.766 -0.948 1.00 9.00 C ATOM 906 C SER A 57 12.207 5.159 -0.288 1.00 9.44 C ATOM 907 O SER A 57 13.061 5.374 0.613 1.00 10.91 O ATOM 908 CB SER A 57 13.340 3.908 -2.071 1.00 10.32 C ATOM 909 OG SER A 57 14.623 4.041 -1.434 1.00 13.59 O ATOM 0 H SER A 57 10.909 3.465 -2.472 1.00 8.92 H new ATOM 0 HA SER A 57 12.519 2.960 -0.262 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.328 3.036 -2.725 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.132 4.778 -2.694 1.00 10.32 H new ATOM 0 HG SER A 57 14.502 4.380 -0.522 1.00 13.59 H new ATOM 915 N ASP A 58 11.271 6.119 -0.600 1.00 9.11 N ATOM 916 CA ASP A 58 11.177 7.417 -0.021 1.00 7.91 C ATOM 917 C ASP A 58 10.540 7.428 1.369 1.00 9.12 C ATOM 918 O ASP A 58 10.535 8.422 2.120 1.00 8.61 O ATOM 919 CB ASP A 58 10.323 8.353 -0.955 1.00 8.41 C ATOM 920 CG ASP A 58 10.993 8.613 -2.300 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.089 9.169 -2.345 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.361 8.269 -3.371 1.00 11.70 O ATOM 0 H ASP A 58 10.548 5.955 -1.301 1.00 9.11 H new ATOM 0 HA ASP A 58 12.202 7.772 0.083 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.346 7.899 -1.122 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.150 9.303 -0.450 1.00 8.41 H new ATOM 927 N TYR A 59 10.055 6.222 1.822 1.00 7.97 N ATOM 928 CA TYR A 59 9.483 5.977 3.107 1.00 8.45 C ATOM 929 C TYR A 59 10.219 4.920 3.875 1.00 10.98 C ATOM 930 O TYR A 59 9.730 4.447 4.909 1.00 12.95 O ATOM 931 CB TYR A 59 8.074 5.387 2.938 1.00 7.94 C ATOM 932 CG TYR A 59 7.098 6.362 2.447 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.646 7.296 3.391 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.633 6.374 1.169 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.664 8.241 3.059 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.696 7.377 0.805 1.00 6.52 C ATOM 937 CZ TYR A 59 5.219 8.284 1.760 1.00 6.76 C ATOM 938 OH TYR A 59 4.401 9.344 1.345 1.00 7.63 O ATOM 0 H TYR A 59 10.074 5.384 1.240 1.00 7.97 H new ATOM 0 HA TYR A 59 9.509 6.935 3.627 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.119 4.547 2.245 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.734 4.993 3.896 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.060 7.287 4.388 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.967 5.640 0.450 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.269 8.916 3.804 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.349 7.441 -0.216 1.00 6.52 H new ATOM 0 HH TYR A 59 4.617 10.147 1.864 1.00 7.63 H new ATOM 948 N ASN A 60 11.441 4.501 3.486 1.00 12.38 N ATOM 949 CA ASN A 60 12.250 3.510 4.162 1.00 13.94 C ATOM 950 C ASN A 60 11.534 2.171 4.341 1.00 14.16 C ATOM 951 O ASN A 60 11.734 1.496 5.359 1.00 14.26 O ATOM 952 CB ASN A 60 12.709 4.101 5.503 1.00 19.23 C ATOM 953 CG ASN A 60 13.947 3.389 6.007 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.753 2.832 5.269 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.160 3.436 7.354 1.00 24.09 N ATOM 0 H ASN A 60 11.896 4.872 2.652 1.00 12.38 H new ATOM 0 HA ASN A 60 13.115 3.280 3.541 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.918 5.164 5.385 1.00 19.23 H new ATOM 0 HB3 ASN A 60 11.909 4.013 6.238 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.994 3.006 7.754 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.485 3.901 7.961 1.00 24.09 H new ATOM 962 N ILE A 61 10.755 1.742 3.396 1.00 11.08 N ATOM 963 CA ILE A 61 10.114 0.444 3.289 1.00 11.78 C ATOM 964 C ILE A 61 11.122 -0.598 2.810 1.00 13.74 C ATOM 965 O ILE A 61 11.897 -0.292 1.884 1.00 14.60 O ATOM 966 CB ILE A 61 8.925 0.524 2.398 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.855 1.423 3.064 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.385 -0.880 2.066 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.797 1.992 2.169 1.00 11.42 C ATOM 0 H ILE A 61 10.523 2.338 2.601 1.00 11.08 H new ATOM 0 HA ILE A 61 9.759 0.133 4.272 1.00 11.78 H new ATOM 0 HB ILE A 61 9.209 0.974 1.447 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.363 0.843 3.845 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.366 2.251 3.555 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.516 -0.791 1.414 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.160 -1.458 1.562 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.096 -1.386 2.987 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.111 2.601 2.758 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.263 2.609 1.401 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.245 1.180 1.696 1.00 11.42 H new ATOM 981 N GLN A 62 11.125 -1.792 3.386 1.00 13.97 N ATOM 982 CA GLN A 62 12.231 -2.759 3.275 1.00 15.52 C ATOM 983 C GLN A 62 11.706 -4.193 3.108 1.00 13.94 C ATOM 984 O GLN A 62 10.483 -4.390 3.229 1.00 12.15 O ATOM 985 CB GLN A 62 13.170 -2.729 4.500 1.00 19.53 C ATOM 986 CG GLN A 62 13.520 -1.290 5.021 1.00 26.38 C ATOM 987 CD GLN A 62 14.487 -1.440 6.200 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.638 -1.816 6.041 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.064 -1.005 7.416 1.00 32.71 N ATOM 0 H GLN A 62 10.350 -2.131 3.956 1.00 13.97 H new ATOM 0 HA GLN A 62 12.794 -2.459 2.391 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.706 -3.292 5.310 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.096 -3.244 4.244 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.974 -0.697 4.228 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.616 -0.766 5.333 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.101 -0.693 7.539 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.710 -0.991 8.205 1.00 32.71 H new ATOM 998 N LYS A 63 12.573 -5.153 2.779 1.00 11.73 N ATOM 999 CA LYS A 63 12.255 -6.580 2.516 1.00 11.97 C ATOM 1000 C LYS A 63 11.503 -7.205 3.652 1.00 10.41 C ATOM 1001 O LYS A 63 11.843 -7.002 4.817 1.00 9.59 O ATOM 1002 CB LYS A 63 13.527 -7.340 2.132 1.00 13.73 C ATOM 1003 CG LYS A 63 14.607 -7.246 3.300 1.00 16.98 C ATOM 1004 CD LYS A 63 15.997 -7.722 2.856 1.00 20.19 C ATOM 1005 CE LYS A 63 16.108 -9.210 2.459 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.524 -9.543 2.240 1.00 25.97 N ATOM 0 H LYS A 63 13.569 -4.958 2.681 1.00 11.73 H new ATOM 0 HA LYS A 63 11.578 -6.639 1.664 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.288 -8.385 1.933 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.941 -6.927 1.212 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.673 -6.215 3.647 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.274 -7.846 4.147 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.313 -7.115 2.007 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.701 -7.529 3.665 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.690 -9.841 3.243 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.532 -9.402 1.554 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.608 -10.544 1.972 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.907 -8.948 1.478 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.060 -9.373 3.115 1.00 25.97 H new ATOM 1020 N GLU A 64 10.399 -7.941 3.447 1.00 10.04 N ATOM 1021 CA GLU A 64 9.502 -8.518 4.432 1.00 10.94 C ATOM 1022 C GLU A 64 8.753 -7.423 5.302 1.00 9.74 C ATOM 1023 O GLU A 64 8.127 -7.739 6.309 1.00 9.42 O ATOM 1024 CB GLU A 64 10.205 -9.580 5.345 1.00 18.31 C ATOM 1025 CG GLU A 64 10.330 -10.928 4.632 1.00 24.16 C ATOM 1026 CD GLU A 64 10.898 -12.064 5.486 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.273 -12.244 6.601 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.016 -12.565 5.175 1.00 31.72 O ATOM 0 H GLU A 64 10.094 -8.161 2.499 1.00 10.04 H new ATOM 0 HA GLU A 64 8.742 -9.042 3.853 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.195 -9.222 5.627 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.636 -9.705 6.266 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.345 -11.223 4.271 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.965 -10.800 3.756 1.00 24.16 H new ATOM 1035 N SER A 65 8.736 -6.127 4.975 1.00 6.85 N ATOM 1036 CA SER A 65 7.955 -5.113 5.628 1.00 6.90 C ATOM 1037 C SER A 65 6.455 -5.493 5.415 1.00 4.72 C ATOM 1038 O SER A 65 6.141 -5.986 4.355 1.00 3.91 O ATOM 1039 CB SER A 65 8.018 -3.671 5.006 1.00 7.28 C ATOM 1040 OG SER A 65 9.334 -3.049 5.321 1.00 10.56 O ATOM 0 H SER A 65 9.299 -5.756 4.209 1.00 6.85 H new ATOM 0 HA SER A 65 8.344 -5.080 6.646 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.878 -3.723 3.926 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.210 -3.057 5.403 1.00 7.28 H new ATOM 0 HG SER A 65 9.205 -2.102 5.538 1.00 10.56 H new ATOM 1046 N THR A 66 5.523 -5.078 6.375 1.00 4.48 N ATOM 1047 CA THR A 66 4.072 -5.212 6.294 1.00 3.80 C ATOM 1048 C THR A 66 3.526 -3.817 6.371 1.00 4.60 C ATOM 1049 O THR A 66 3.911 -3.017 7.223 1.00 5.33 O ATOM 1050 CB THR A 66 3.449 -6.062 7.390 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.878 -7.430 7.315 1.00 2.15 O ATOM 1052 CG2 THR A 66 1.895 -6.099 7.303 1.00 3.40 C ATOM 0 H THR A 66 5.818 -4.629 7.242 1.00 4.48 H new ATOM 0 HA THR A 66 3.825 -5.730 5.367 1.00 3.80 H new ATOM 0 HB THR A 66 3.774 -5.594 8.319 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.458 -7.944 8.036 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.500 -6.719 8.108 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.501 -5.087 7.398 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.594 -6.517 6.342 1.00 3.40 H new ATOM 1060 N LEU A 67 2.641 -3.449 5.463 1.00 4.17 N ATOM 1061 CA LEU A 67 2.012 -2.162 5.413 1.00 3.85 C ATOM 1062 C LEU A 67 0.514 -2.364 5.631 1.00 3.80 C ATOM 1063 O LEU A 67 -0.010 -3.369 5.242 1.00 5.54 O ATOM 1064 CB LEU A 67 2.123 -1.451 4.027 1.00 7.18 C ATOM 1065 CG LEU A 67 3.533 -1.508 3.360 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.495 -0.832 1.954 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.643 -0.917 4.193 1.00 11.66 C ATOM 0 H LEU A 67 2.335 -4.071 4.715 1.00 4.17 H new ATOM 0 HA LEU A 67 2.512 -1.552 6.166 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.399 -1.901 3.347 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.839 -0.406 4.149 1.00 7.18 H new ATOM 0 HG LEU A 67 3.769 -2.568 3.263 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.485 -0.879 1.501 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.780 -1.354 1.318 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.194 0.210 2.059 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.586 -0.999 3.653 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.429 0.133 4.392 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.717 -1.457 5.137 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.240 -1.454 6.311 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.651 -1.575 6.525 1.00 4.17 C ATOM 1081 C HIS A 68 -2.477 -1.260 5.274 1.00 5.32 C ATOM 1082 O HIS A 68 -2.078 -0.407 4.492 1.00 7.70 O ATOM 1083 CB HIS A 68 -2.033 -0.600 7.705 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.395 -0.997 8.986 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.289 -0.287 9.413 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.535 -2.056 9.844 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.230 -0.988 10.429 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.496 -2.033 10.761 1.00 16.30 N ATOM 0 H HIS A 68 0.157 -0.609 6.722 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.883 -2.610 6.774 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.730 0.415 7.449 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -3.116 -0.588 7.828 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.061 0.592 9.032 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.327 -2.790 9.811 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.152 -0.722 10.926 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.615 -1.938 5.110 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.600 -1.452 4.140 1.00 3.97 C ATOM 1098 C LEU A 69 -5.815 -1.042 4.880 1.00 5.07 C ATOM 1099 O LEU A 69 -6.546 -1.865 5.357 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.992 -2.491 3.005 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.699 -1.915 1.740 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.603 -3.033 0.705 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.162 -1.638 1.840 1.00 9.96 C ATOM 0 H LEU A 69 -3.872 -2.788 5.611 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.135 -0.618 3.614 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.084 -3.002 2.684 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.644 -3.245 3.445 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.216 -0.961 1.531 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.078 -2.712 -0.222 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.555 -3.264 0.515 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -6.107 -3.922 1.082 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.523 -1.242 0.891 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.692 -2.562 2.073 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.341 -0.908 2.629 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.134 0.267 5.008 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.298 0.815 5.825 1.00 6.26 C ATOM 1117 C VAL A 70 -8.263 1.348 4.837 1.00 9.22 C ATOM 1118 O VAL A 70 -7.900 2.183 4.005 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.941 1.951 6.770 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.131 2.534 7.581 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.880 1.392 7.729 1.00 8.54 C ATOM 0 H VAL A 70 -5.596 1.002 4.549 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.673 0.007 6.454 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.588 2.791 6.171 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.774 3.338 8.225 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.882 2.925 6.895 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.574 1.748 8.193 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.583 2.167 8.435 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.293 0.544 8.274 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.009 1.068 7.159 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.545 0.873 4.841 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.558 1.388 3.918 1.00 16.06 C ATOM 1133 C LEU A 71 -10.880 2.889 4.168 1.00 18.09 C ATOM 1134 O LEU A 71 -11.112 3.278 5.340 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.857 0.488 3.982 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.771 0.665 2.832 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.111 0.172 1.507 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.161 -0.066 3.007 1.00 19.57 C ATOM 0 H LEU A 71 -9.880 0.144 5.471 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.150 1.334 2.909 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.558 -0.559 4.037 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.398 0.714 4.901 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.963 1.737 2.786 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.806 0.314 0.679 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.201 0.743 1.319 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.864 -0.886 1.595 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.777 0.109 2.125 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.996 -1.137 3.128 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.669 0.325 3.888 1.00 19.57 H new