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 60 ASN : amide:sc= 0.803 K(o=1.7,f=0.42) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.934 K(o=1.7,f=0.42) USER MOD Set 2.1: A 55 THR OG1 : rot 116:sc= 0.148 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0.143 USER MOD Set 3.1: A 22 THR OG1 : rot -160:sc= 0.625 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.182 K(o=0.81,f=-3.6!) USER MOD Set 4.1: A 7 THR OG1 : rot 131:sc= 1.18 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Set 5.1: A 6 LYS NZ :NH3+ 163:sc= 0.972 (180deg=0) USER MOD Set 5.2: A 12 THR OG1 : rot 130:sc= 0.841 USER MOD Single : A 1 MET CE :methyl -117:sc= -0.484 (180deg=-1.56) USER MOD Single : A 1 MET N :NH3+ -150:sc= 2.49 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= 1.17 (180deg=-0.232!) USER MOD Single : A 14 THR OG1 : rot -55:sc= 0.201 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 2.35 (180deg=2.29) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0319 K(o=-0.032,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -0.155 (180deg=-0.707) USER MOD Single : A 40 GLN : amide:sc= -0.0623 K(o=-0.062,f=-0.71) USER MOD Single : A 41 GLN : amide:sc= 1.32 K(o=1.3,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.44 K(o=-0.44,f=-6.1!) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.457 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 131:sc= 0.103 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.64 K(o=0.64,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.669 -6.823 -4.642 1.00 9.67 N ATOM 2 CA MET A 1 11.689 -6.690 -3.174 1.00 10.38 C ATOM 3 C MET A 1 10.295 -7.012 -2.606 1.00 9.62 C ATOM 4 O MET A 1 9.338 -6.515 -3.140 1.00 9.62 O ATOM 5 CB MET A 1 12.027 -5.252 -2.796 1.00 13.77 C ATOM 6 CG MET A 1 11.917 -4.891 -1.337 1.00 16.29 C ATOM 7 SD MET A 1 12.580 -3.192 -1.009 1.00 17.17 S ATOM 8 CE MET A 1 10.910 -2.518 -1.486 1.00 16.11 C ATOM 0 H1 MET A 1 12.611 -7.110 -4.977 1.00 9.67 H new ATOM 0 H2 MET A 1 10.969 -7.542 -4.916 1.00 9.67 H new ATOM 0 H3 MET A 1 11.413 -5.910 -5.070 1.00 9.67 H new ATOM 0 HA MET A 1 12.433 -7.377 -2.770 1.00 10.38 H new ATOM 0 HB2 MET A 1 13.047 -5.046 -3.121 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.372 -4.589 -3.361 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.874 -4.942 -1.026 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.465 -5.619 -0.738 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.010 -1.891 -2.372 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.232 -3.344 -1.701 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.509 -1.924 -0.665 1.00 16.11 H new ATOM 20 N GLN A 2 10.243 -7.837 -1.585 1.00 9.27 N ATOM 21 CA GLN A 2 9.038 -8.400 -1.045 1.00 9.07 C ATOM 22 C GLN A 2 8.609 -7.563 0.136 1.00 8.72 C ATOM 23 O GLN A 2 9.333 -7.290 1.097 1.00 8.22 O ATOM 24 CB GLN A 2 9.256 -9.869 -0.518 1.00 14.46 C ATOM 25 CG GLN A 2 8.128 -10.475 0.364 1.00 17.01 C ATOM 26 CD GLN A 2 8.225 -11.962 0.672 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.359 -12.311 1.838 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.174 -12.797 -0.391 1.00 19.49 N ATOM 0 H GLN A 2 11.080 -8.144 -1.090 1.00 9.27 H new ATOM 0 HA GLN A 2 8.293 -8.415 -1.840 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.400 -10.521 -1.380 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.183 -9.890 0.055 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.107 -9.933 1.309 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.174 -10.292 -0.130 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.060 -12.419 -1.331 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.250 -13.805 -0.252 1.00 19.49 H new ATOM 37 N ILE A 3 7.346 -7.233 0.161 1.00 5.87 N ATOM 38 CA ILE A 3 6.716 -6.608 1.301 1.00 5.07 C ATOM 39 C ILE A 3 5.320 -7.241 1.500 1.00 4.01 C ATOM 40 O ILE A 3 4.737 -7.945 0.651 1.00 4.61 O ATOM 41 CB ILE A 3 6.455 -5.070 1.133 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.642 -4.823 -0.191 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.872 -4.479 1.227 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.497 -3.324 -0.426 1.00 10.83 C ATOM 0 H ILE A 3 6.712 -7.392 -0.622 1.00 5.87 H new ATOM 0 HA ILE A 3 7.403 -6.758 2.134 1.00 5.07 H new ATOM 0 HB ILE A 3 5.824 -4.585 1.878 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.152 -5.287 -1.035 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.659 -5.287 -0.119 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.822 -3.395 1.123 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.308 -4.731 2.194 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.492 -4.892 0.431 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.934 -3.152 -1.343 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.968 -2.873 0.414 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.485 -2.873 -0.517 1.00 10.83 H new ATOM 56 N PHE A 4 4.734 -6.998 2.699 1.00 4.55 N ATOM 57 CA PHE A 4 3.508 -7.586 3.218 1.00 4.68 C ATOM 58 C PHE A 4 2.416 -6.427 3.192 1.00 5.30 C ATOM 59 O PHE A 4 2.682 -5.371 3.709 1.00 5.58 O ATOM 60 CB PHE A 4 3.734 -8.266 4.583 1.00 4.83 C ATOM 61 CG PHE A 4 4.657 -9.422 4.504 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.447 -10.504 3.649 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.855 -9.414 5.246 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.448 -11.445 3.449 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.744 -10.439 5.225 1.00 10.61 C ATOM 66 CZ PHE A 4 6.533 -11.528 4.332 1.00 8.90 C ATOM 0 H PHE A 4 5.146 -6.340 3.361 1.00 4.55 H new ATOM 0 HA PHE A 4 3.145 -8.412 2.605 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.134 -7.535 5.286 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.775 -8.599 4.981 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.501 -10.610 3.140 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.076 -8.553 5.859 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.390 -12.118 2.606 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.603 -10.429 5.879 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.186 -12.388 4.335 1.00 8.90 H new ATOM 76 N VAL A 5 1.186 -6.722 2.747 1.00 4.44 N ATOM 77 CA VAL A 5 -0.003 -5.873 2.898 1.00 3.87 C ATOM 78 C VAL A 5 -0.854 -6.621 3.803 1.00 4.93 C ATOM 79 O VAL A 5 -1.221 -7.746 3.487 1.00 6.84 O ATOM 80 CB VAL A 5 -0.765 -5.589 1.627 1.00 2.99 C ATOM 81 CG1 VAL A 5 -2.100 -4.899 1.950 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.222 -4.728 0.788 1.00 9.13 C ATOM 0 H VAL A 5 0.985 -7.592 2.253 1.00 4.44 H new ATOM 0 HA VAL A 5 0.304 -4.887 3.247 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.060 -6.477 1.068 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.640 -4.700 1.024 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.700 -5.548 2.588 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.908 -3.959 2.468 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.241 -4.467 -0.164 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.466 -3.817 1.335 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.134 -5.296 0.604 1.00 9.13 H new ATOM 92 N LYS A 6 -1.282 -6.026 4.899 1.00 6.04 N ATOM 93 CA LYS A 6 -2.315 -6.516 5.794 1.00 6.12 C ATOM 94 C LYS A 6 -3.664 -5.974 5.456 1.00 6.57 C ATOM 95 O LYS A 6 -3.831 -4.744 5.558 1.00 5.76 O ATOM 96 CB LYS A 6 -1.869 -6.156 7.281 1.00 7.45 C ATOM 97 CG LYS A 6 -0.541 -6.760 7.761 1.00 11.12 C ATOM 98 CD LYS A 6 -0.732 -8.283 7.979 1.00 14.54 C ATOM 99 CE LYS A 6 0.508 -8.885 8.575 1.00 18.84 C ATOM 100 NZ LYS A 6 0.217 -10.245 8.985 1.00 20.55 N ATOM 0 H LYS A 6 -0.895 -5.134 5.208 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.417 -7.596 5.689 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.801 -5.071 7.364 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.657 -6.479 7.962 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.243 -6.580 7.025 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.223 -6.283 8.688 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.582 -8.459 8.638 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.959 -8.767 7.029 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.319 -8.876 7.847 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.840 -8.296 9.430 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.108 -10.763 9.127 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.321 -10.232 9.875 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.344 -10.717 8.248 1.00 20.55 H new ATOM 114 N THR A 7 -4.621 -6.753 4.939 1.00 7.41 N ATOM 115 CA THR A 7 -5.936 -6.348 4.482 1.00 7.48 C ATOM 116 C THR A 7 -6.804 -6.068 5.724 1.00 8.75 C ATOM 117 O THR A 7 -6.461 -6.455 6.835 1.00 8.58 O ATOM 118 CB THR A 7 -6.680 -7.335 3.572 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.086 -8.556 4.211 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.731 -7.677 2.394 1.00 9.17 C ATOM 0 H THR A 7 -4.476 -7.756 4.825 1.00 7.41 H new ATOM 0 HA THR A 7 -5.769 -5.471 3.856 1.00 7.48 H new ATOM 0 HB THR A 7 -7.604 -6.850 3.256 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.029 -8.732 4.011 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.224 -8.379 1.721 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.484 -6.766 1.850 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.817 -8.127 2.782 1.00 9.17 H new ATOM 128 N LEU A 8 -7.999 -5.435 5.551 1.00 9.84 N ATOM 129 CA LEU A 8 -8.944 -5.209 6.620 1.00 14.15 C ATOM 130 C LEU A 8 -9.696 -6.516 6.953 1.00 17.37 C ATOM 131 O LEU A 8 -10.192 -6.690 8.067 1.00 17.01 O ATOM 132 CB LEU A 8 -9.957 -4.152 6.153 1.00 16.63 C ATOM 133 CG LEU A 8 -9.470 -2.671 6.100 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.547 -1.780 5.536 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.880 -2.127 7.386 1.00 18.59 C ATOM 0 H LEU A 8 -8.311 -5.075 4.649 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.415 -4.870 7.511 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.300 -4.430 5.157 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.823 -4.199 6.813 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.618 -2.672 5.421 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.189 -0.751 5.507 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.797 -2.106 4.526 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.434 -1.838 6.166 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.575 -1.091 7.237 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.627 -2.174 8.178 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.013 -2.724 7.669 1.00 18.59 H new ATOM 147 N THR A 9 -9.620 -7.504 6.029 1.00 18.33 N ATOM 148 CA THR A 9 -10.455 -8.650 6.005 1.00 19.24 C ATOM 149 C THR A 9 -9.640 -9.758 6.619 1.00 19.48 C ATOM 150 O THR A 9 -10.065 -10.890 6.614 1.00 23.14 O ATOM 151 CB THR A 9 -10.841 -9.017 4.549 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.761 -8.964 3.636 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.787 -7.955 4.113 1.00 19.70 C ATOM 0 H THR A 9 -8.940 -7.490 5.269 1.00 18.33 H new ATOM 0 HA THR A 9 -11.384 -8.477 6.548 1.00 19.24 H new ATOM 0 HB THR A 9 -11.229 -10.036 4.548 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.077 -9.208 2.741 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.104 -8.149 3.088 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.658 -7.952 4.768 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.293 -6.985 4.162 1.00 19.70 H new ATOM 161 N GLY A 10 -8.395 -9.456 7.123 1.00 19.43 N ATOM 162 CA GLY A 10 -7.538 -10.407 7.882 1.00 18.74 C ATOM 163 C GLY A 10 -6.625 -11.297 7.107 1.00 17.62 C ATOM 164 O GLY A 10 -6.100 -12.258 7.679 1.00 19.74 O ATOM 0 H GLY A 10 -7.966 -8.538 7.007 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.930 -9.828 8.576 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.192 -11.040 8.482 1.00 18.74 H new ATOM 168 N LYS A 11 -6.599 -11.099 5.789 1.00 13.56 N ATOM 169 CA LYS A 11 -5.654 -11.675 4.817 1.00 11.91 C ATOM 170 C LYS A 11 -4.319 -10.950 4.919 1.00 10.18 C ATOM 171 O LYS A 11 -4.224 -9.755 5.191 1.00 9.10 O ATOM 172 CB LYS A 11 -6.240 -11.650 3.389 1.00 13.43 C ATOM 173 CG LYS A 11 -5.478 -12.403 2.274 1.00 16.69 C ATOM 174 CD LYS A 11 -6.142 -12.319 0.901 1.00 17.92 C ATOM 175 CE LYS A 11 -7.673 -12.571 0.809 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.253 -12.529 -0.573 1.00 21.93 N ATOM 0 H LYS A 11 -7.282 -10.492 5.336 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.482 -12.725 5.053 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.250 -12.058 3.436 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.331 -10.607 3.085 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.468 -12.000 2.203 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.384 -13.451 2.557 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.943 -11.327 0.495 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.647 -13.037 0.247 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.890 -13.546 1.246 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.183 -11.827 1.421 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.210 -12.123 -0.536 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.651 -11.942 -1.184 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.301 -13.494 -0.959 1.00 21.93 H new ATOM 190 N THR A 12 -3.245 -11.599 4.632 1.00 9.63 N ATOM 191 CA THR A 12 -1.958 -11.036 4.486 1.00 9.85 C ATOM 192 C THR A 12 -1.512 -11.326 3.054 1.00 11.66 C ATOM 193 O THR A 12 -1.374 -12.499 2.651 1.00 12.33 O ATOM 194 CB THR A 12 -0.826 -11.471 5.408 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.292 -11.276 6.760 1.00 10.91 O ATOM 196 CG2 THR A 12 0.434 -10.650 5.149 1.00 9.63 C ATOM 0 H THR A 12 -3.249 -12.608 4.484 1.00 9.63 H new ATOM 0 HA THR A 12 -2.106 -9.991 4.759 1.00 9.85 H new ATOM 0 HB THR A 12 -0.564 -12.514 5.232 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.139 -12.093 7.280 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.227 -10.980 5.820 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.752 -10.788 4.116 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.224 -9.595 5.326 1.00 9.63 H new ATOM 204 N ILE A 13 -1.253 -10.258 2.288 1.00 10.42 N ATOM 205 CA ILE A 13 -0.821 -10.346 0.951 1.00 11.84 C ATOM 206 C ILE A 13 0.660 -9.935 0.771 1.00 10.55 C ATOM 207 O ILE A 13 1.114 -8.890 1.171 1.00 11.92 O ATOM 208 CB ILE A 13 -1.754 -9.565 0.025 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.300 -9.914 0.174 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.301 -9.684 -1.469 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.136 -8.929 -0.603 1.00 16.46 C ATOM 0 H ILE A 13 -1.351 -9.299 2.621 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.871 -11.397 0.666 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.662 -8.529 0.353 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.488 -10.925 -0.187 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.585 -9.893 1.226 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -1.984 -9.118 -2.102 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.292 -9.285 -1.576 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.311 -10.732 -1.770 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.191 -9.180 -0.492 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.960 -7.923 -0.222 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.862 -8.971 -1.657 1.00 16.46 H new ATOM 223 N THR A 14 1.356 -10.818 -0.012 1.00 9.39 N ATOM 224 CA THR A 14 2.724 -10.619 -0.234 1.00 9.63 C ATOM 225 C THR A 14 2.879 -10.069 -1.631 1.00 11.20 C ATOM 226 O THR A 14 2.206 -10.559 -2.568 1.00 11.63 O ATOM 227 CB THR A 14 3.406 -12.011 -0.210 1.00 10.38 C ATOM 228 OG1 THR A 14 3.330 -12.712 1.050 1.00 16.30 O ATOM 229 CG2 THR A 14 4.962 -11.887 -0.371 1.00 11.66 C ATOM 0 H THR A 14 0.955 -11.639 -0.466 1.00 9.39 H new ATOM 0 HA THR A 14 3.154 -9.950 0.511 1.00 9.63 H new ATOM 0 HB THR A 14 2.878 -12.531 -1.009 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.693 -12.145 1.762 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.410 -12.880 -0.350 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.192 -11.405 -1.321 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.366 -11.289 0.446 1.00 11.66 H new ATOM 237 N LEU A 15 3.636 -9.007 -1.803 1.00 8.29 N ATOM 238 CA LEU A 15 3.733 -8.256 -2.985 1.00 9.03 C ATOM 239 C LEU A 15 5.154 -8.006 -3.275 1.00 8.59 C ATOM 240 O LEU A 15 5.964 -7.742 -2.399 1.00 7.79 O ATOM 241 CB LEU A 15 3.042 -6.932 -2.770 1.00 11.08 C ATOM 242 CG LEU A 15 1.520 -6.881 -2.892 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.163 -5.435 -2.966 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.827 -7.722 -4.019 1.00 15.27 C ATOM 0 H LEU A 15 4.229 -8.641 -1.058 1.00 8.29 H new ATOM 0 HA LEU A 15 3.272 -8.795 -3.813 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.308 -6.576 -1.775 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.457 -6.221 -3.484 1.00 11.08 H new ATOM 0 HG LEU A 15 1.119 -7.390 -2.015 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.082 -5.331 -3.055 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.503 -4.930 -2.062 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.643 -4.986 -3.835 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.252 -7.577 -3.970 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.193 -7.397 -4.993 1.00 15.27 H new ATOM 0 HD23 LEU A 15 1.058 -8.778 -3.879 1.00 15.27 H new ATOM 256 N GLU A 16 5.530 -8.093 -4.595 1.00 11.04 N ATOM 257 CA GLU A 16 6.860 -7.887 -5.107 1.00 11.50 C ATOM 258 C GLU A 16 6.825 -6.546 -5.780 1.00 10.13 C ATOM 259 O GLU A 16 6.015 -6.328 -6.659 1.00 9.83 O ATOM 260 CB GLU A 16 7.279 -9.124 -6.113 1.00 17.22 C ATOM 261 CG GLU A 16 8.745 -9.229 -6.552 1.00 23.33 C ATOM 262 CD GLU A 16 9.546 -9.850 -5.431 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.224 -11.010 -5.066 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.481 -9.147 -4.979 1.00 28.90 O ATOM 0 H GLU A 16 4.861 -8.319 -5.331 1.00 11.04 H new ATOM 0 HA GLU A 16 7.625 -7.887 -4.331 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.009 -10.059 -5.623 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.666 -9.047 -7.011 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.826 -9.835 -7.454 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.138 -8.242 -6.795 1.00 23.33 H new ATOM 271 N VAL A 17 7.734 -5.694 -5.332 1.00 8.99 N ATOM 272 CA VAL A 17 7.878 -4.302 -5.735 1.00 8.85 C ATOM 273 C VAL A 17 9.339 -3.972 -5.939 1.00 8.04 C ATOM 274 O VAL A 17 10.244 -4.663 -5.480 1.00 8.99 O ATOM 275 CB VAL A 17 7.238 -3.331 -4.756 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.710 -3.568 -4.679 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.962 -3.423 -3.417 1.00 10.54 C ATOM 0 H VAL A 17 8.430 -5.970 -4.639 1.00 8.99 H new ATOM 0 HA VAL A 17 7.343 -4.184 -6.677 1.00 8.85 H new ATOM 0 HB VAL A 17 7.348 -2.302 -5.099 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.268 -2.864 -3.974 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.269 -3.420 -5.665 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.516 -4.587 -4.345 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.508 -2.729 -2.710 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.883 -4.439 -3.030 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.013 -3.167 -3.553 1.00 10.54 H new ATOM 287 N GLU A 18 9.597 -2.779 -6.634 1.00 7.29 N ATOM 288 CA GLU A 18 10.942 -2.299 -6.902 1.00 7.08 C ATOM 289 C GLU A 18 11.022 -0.854 -6.392 1.00 6.45 C ATOM 290 O GLU A 18 10.116 -0.072 -6.727 1.00 5.28 O ATOM 291 CB GLU A 18 11.081 -2.500 -8.431 1.00 10.28 C ATOM 292 CG GLU A 18 12.339 -1.919 -9.064 1.00 12.65 C ATOM 293 CD GLU A 18 12.325 -2.178 -10.580 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.700 -3.305 -11.043 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.846 -1.300 -11.394 1.00 18.17 O ATOM 0 H GLU A 18 8.862 -2.171 -6.996 1.00 7.29 H new ATOM 0 HA GLU A 18 11.769 -2.807 -6.406 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.051 -3.569 -8.642 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.213 -2.055 -8.917 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.394 -0.848 -8.869 1.00 12.65 H new ATOM 0 HG3 GLU A 18 13.224 -2.371 -8.617 1.00 12.65 H new ATOM 302 N PRO A 19 12.025 -0.490 -5.532 1.00 7.24 N ATOM 303 CA PRO A 19 12.042 0.757 -4.694 1.00 7.07 C ATOM 304 C PRO A 19 11.687 2.089 -5.389 1.00 6.65 C ATOM 305 O PRO A 19 11.228 2.991 -4.733 1.00 6.37 O ATOM 306 CB PRO A 19 13.473 0.781 -4.175 1.00 7.61 C ATOM 307 CG PRO A 19 13.980 -0.663 -4.129 1.00 8.16 C ATOM 308 CD PRO A 19 13.260 -1.250 -5.327 1.00 7.49 C ATOM 0 HA PRO A 19 11.255 0.702 -3.942 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.105 1.387 -4.825 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.512 1.231 -3.183 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.064 -0.725 -4.226 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.714 -1.166 -3.199 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.891 -1.197 -6.214 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.035 -2.303 -5.158 1.00 7.49 H new ATOM 316 N SER A 20 11.869 2.221 -6.725 1.00 6.80 N ATOM 317 CA SER A 20 11.533 3.431 -7.483 1.00 6.28 C ATOM 318 C SER A 20 10.131 3.392 -8.132 1.00 8.45 C ATOM 319 O SER A 20 9.708 4.299 -8.825 1.00 7.26 O ATOM 320 CB SER A 20 12.606 3.603 -8.570 1.00 8.57 C ATOM 321 OG SER A 20 13.051 2.387 -9.203 1.00 11.13 O ATOM 0 H SER A 20 12.258 1.477 -7.305 1.00 6.80 H new ATOM 0 HA SER A 20 11.510 4.271 -6.789 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.215 4.270 -9.339 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.470 4.098 -8.127 1.00 8.57 H new ATOM 0 HG SER A 20 13.729 2.599 -9.878 1.00 11.13 H new ATOM 327 N ASP A 21 9.300 2.363 -7.802 1.00 7.50 N ATOM 328 CA ASP A 21 7.920 2.172 -8.157 1.00 7.70 C ATOM 329 C ASP A 21 7.087 2.983 -7.141 1.00 7.08 C ATOM 330 O ASP A 21 7.523 3.356 -6.059 1.00 8.11 O ATOM 331 CB ASP A 21 7.538 0.677 -8.122 1.00 11.00 C ATOM 332 CG ASP A 21 8.150 -0.084 -9.274 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.846 0.565 -10.089 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.924 -1.325 -9.301 1.00 18.03 O ATOM 0 H ASP A 21 9.640 1.592 -7.228 1.00 7.50 H new ATOM 0 HA ASP A 21 7.730 2.513 -9.175 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.869 0.239 -7.180 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.453 0.578 -8.156 1.00 11.00 H new ATOM 339 N THR A 22 5.851 3.309 -7.530 1.00 5.37 N ATOM 340 CA THR A 22 5.102 4.243 -6.653 1.00 6.01 C ATOM 341 C THR A 22 4.326 3.485 -5.547 1.00 8.01 C ATOM 342 O THR A 22 4.220 2.274 -5.641 1.00 8.11 O ATOM 343 CB THR A 22 4.097 5.110 -7.417 1.00 8.92 C ATOM 344 OG1 THR A 22 3.098 4.334 -8.104 1.00 10.22 O ATOM 345 CG2 THR A 22 4.868 5.913 -8.490 1.00 9.65 C ATOM 0 H THR A 22 5.372 2.981 -8.368 1.00 5.37 H new ATOM 0 HA THR A 22 5.863 4.888 -6.214 1.00 6.01 H new ATOM 0 HB THR A 22 3.597 5.746 -6.687 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.690 4.877 -8.810 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.171 6.539 -9.047 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.614 6.543 -8.006 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.363 5.224 -9.174 1.00 9.65 H new ATOM 353 N ILE A 23 3.778 4.189 -4.510 1.00 8.32 N ATOM 354 CA ILE A 23 2.652 3.689 -3.748 1.00 9.92 C ATOM 355 C ILE A 23 1.377 3.361 -4.517 1.00 10.01 C ATOM 356 O ILE A 23 0.780 2.303 -4.253 1.00 8.71 O ATOM 357 CB ILE A 23 2.397 4.705 -2.641 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.652 5.055 -1.823 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.244 4.336 -1.779 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.402 3.866 -1.208 1.00 12.30 C ATOM 0 H ILE A 23 4.117 5.101 -4.204 1.00 8.32 H new ATOM 0 HA ILE A 23 2.932 2.705 -3.372 1.00 9.92 H new ATOM 0 HB ILE A 23 2.120 5.625 -3.157 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.341 5.601 -2.467 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.362 5.732 -1.020 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.109 5.095 -1.008 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.341 4.271 -2.387 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.435 3.371 -1.309 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.268 4.229 -0.655 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.738 3.328 -0.531 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.733 3.195 -2.001 1.00 12.30 H new ATOM 372 N GLU A 24 1.041 4.177 -5.535 1.00 9.54 N ATOM 373 CA GLU A 24 -0.045 3.881 -6.408 1.00 11.81 C ATOM 374 C GLU A 24 0.076 2.568 -7.125 1.00 11.14 C ATOM 375 O GLU A 24 -0.944 1.902 -7.386 1.00 10.62 O ATOM 376 CB GLU A 24 -0.329 4.999 -7.499 1.00 19.24 C ATOM 377 CG GLU A 24 -1.565 4.722 -8.345 1.00 27.76 C ATOM 378 CD GLU A 24 -1.982 5.929 -9.103 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.316 6.929 -8.414 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.888 6.015 -10.327 1.00 36.51 O ATOM 0 H GLU A 24 1.528 5.047 -5.751 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.882 3.834 -5.712 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.448 5.961 -7.000 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.538 5.085 -8.154 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.358 3.908 -9.039 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.382 4.393 -7.702 1.00 27.76 H new ATOM 387 N ASN A 25 1.325 2.180 -7.535 1.00 9.43 N ATOM 388 CA ASN A 25 1.674 0.900 -8.152 1.00 10.96 C ATOM 389 C ASN A 25 1.494 -0.220 -7.106 1.00 9.68 C ATOM 390 O ASN A 25 1.274 -1.338 -7.463 1.00 9.33 O ATOM 391 CB ASN A 25 3.088 0.781 -8.732 1.00 16.78 C ATOM 392 CG ASN A 25 3.358 1.647 -9.919 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.375 2.382 -9.986 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.417 1.654 -10.929 1.00 24.70 N ATOM 0 H ASN A 25 2.135 2.791 -7.431 1.00 9.43 H new ATOM 0 HA ASN A 25 1.002 0.816 -9.006 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.807 1.027 -7.951 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.264 -0.258 -9.011 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.544 2.260 -11.740 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.595 1.053 -10.864 1.00 24.70 H new ATOM 401 N VAL A 26 1.554 0.039 -5.799 1.00 6.52 N ATOM 402 CA VAL A 26 1.210 -0.947 -4.785 1.00 5.53 C ATOM 403 C VAL A 26 -0.313 -1.142 -4.841 1.00 4.42 C ATOM 404 O VAL A 26 -0.812 -2.274 -4.835 1.00 3.40 O ATOM 405 CB VAL A 26 1.577 -0.614 -3.348 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.472 -1.851 -2.472 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.004 -0.048 -3.261 1.00 8.12 C ATOM 0 H VAL A 26 1.843 0.940 -5.418 1.00 6.52 H new ATOM 0 HA VAL A 26 1.800 -1.831 -5.029 1.00 5.53 H new ATOM 0 HB VAL A 26 0.876 0.141 -2.993 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.738 -1.594 -1.447 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.450 -2.229 -2.498 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.152 -2.618 -2.842 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.242 0.182 -2.222 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.712 -0.785 -3.640 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.072 0.861 -3.859 1.00 8.12 H new ATOM 417 N LYS A 27 -1.072 -0.035 -4.828 1.00 2.64 N ATOM 418 CA LYS A 27 -2.552 -0.048 -4.688 1.00 4.14 C ATOM 419 C LYS A 27 -3.250 -0.644 -5.927 1.00 5.58 C ATOM 420 O LYS A 27 -4.278 -1.239 -5.770 1.00 4.11 O ATOM 421 CB LYS A 27 -3.145 1.365 -4.455 1.00 3.97 C ATOM 422 CG LYS A 27 -2.496 2.034 -3.239 1.00 7.45 C ATOM 423 CD LYS A 27 -3.240 3.303 -2.734 1.00 9.02 C ATOM 424 CE LYS A 27 -3.157 4.451 -3.682 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.111 5.441 -3.192 1.00 15.47 N ATOM 0 H LYS A 27 -0.682 0.904 -4.914 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.739 -0.672 -3.814 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.989 1.980 -5.341 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.222 1.292 -4.304 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.443 1.310 -2.426 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.471 2.305 -3.492 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.288 3.057 -2.563 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.822 3.603 -1.773 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.148 4.862 -3.711 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.404 4.139 -4.697 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.039 6.306 -3.766 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.075 5.058 -3.262 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.899 5.666 -2.199 1.00 15.47 H new ATOM 439 N ALA A 28 -2.652 -0.500 -7.165 1.00 6.61 N ATOM 440 CA ALA A 28 -3.007 -1.298 -8.300 1.00 7.74 C ATOM 441 C ALA A 28 -2.846 -2.808 -8.088 1.00 9.17 C ATOM 442 O ALA A 28 -3.689 -3.517 -8.620 1.00 11.45 O ATOM 443 CB ALA A 28 -2.093 -0.814 -9.399 1.00 7.68 C ATOM 0 H ALA A 28 -1.918 0.183 -7.356 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.067 -1.180 -8.524 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.295 -1.373 -10.313 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.268 0.247 -9.576 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.055 -0.966 -9.103 1.00 7.68 H new ATOM 449 N LYS A 29 -1.776 -3.336 -7.432 1.00 8.96 N ATOM 450 CA LYS A 29 -1.751 -4.789 -7.246 1.00 7.90 C ATOM 451 C LYS A 29 -2.878 -5.245 -6.303 1.00 6.92 C ATOM 452 O LYS A 29 -3.480 -6.301 -6.580 1.00 6.87 O ATOM 453 CB LYS A 29 -0.390 -5.105 -6.541 1.00 10.28 C ATOM 454 CG LYS A 29 0.726 -4.594 -7.501 1.00 14.94 C ATOM 455 CD LYS A 29 2.144 -5.068 -7.128 1.00 19.69 C ATOM 456 CE LYS A 29 3.187 -4.398 -7.973 1.00 22.63 C ATOM 457 NZ LYS A 29 3.198 -5.021 -9.363 1.00 24.98 N ATOM 0 H LYS A 29 -0.984 -2.815 -7.055 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.874 -5.294 -8.204 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.328 -4.608 -5.573 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.286 -6.174 -6.357 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.499 -4.926 -8.514 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.710 -3.504 -7.511 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.335 -4.856 -6.076 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.212 -6.149 -7.253 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.981 -3.330 -8.044 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.168 -4.503 -7.509 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.922 -4.555 -9.947 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.415 -6.035 -9.287 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.265 -4.899 -9.806 1.00 24.98 H new ATOM 471 N ILE A 30 -3.214 -4.462 -5.184 1.00 4.57 N ATOM 472 CA ILE A 30 -4.319 -4.709 -4.256 1.00 5.58 C ATOM 473 C ILE A 30 -5.647 -4.521 -5.013 1.00 7.26 C ATOM 474 O ILE A 30 -6.651 -5.182 -4.744 1.00 9.46 O ATOM 475 CB ILE A 30 -4.234 -3.874 -3.005 1.00 5.36 C ATOM 476 CG1 ILE A 30 -3.014 -4.147 -2.123 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.568 -3.867 -2.177 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.789 -5.582 -1.569 1.00 2.00 C ATOM 0 H ILE A 30 -2.681 -3.629 -4.936 1.00 4.57 H new ATOM 0 HA ILE A 30 -4.257 -5.736 -3.897 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.083 -2.863 -3.384 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.127 -3.872 -2.694 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -3.066 -3.470 -1.270 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.442 -3.248 -1.289 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.374 -3.463 -2.789 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.816 -4.885 -1.878 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.882 -5.601 -0.965 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.641 -5.872 -0.954 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.687 -6.281 -2.399 1.00 2.00 H new ATOM 490 N GLN A 31 -5.714 -3.696 -6.102 1.00 7.06 N ATOM 491 CA GLN A 31 -6.891 -3.734 -7.000 1.00 8.67 C ATOM 492 C GLN A 31 -7.087 -4.980 -7.799 1.00 10.90 C ATOM 493 O GLN A 31 -8.161 -5.570 -7.864 1.00 9.63 O ATOM 494 CB GLN A 31 -6.852 -2.584 -8.019 1.00 9.12 C ATOM 495 CG GLN A 31 -8.148 -2.389 -8.802 1.00 10.76 C ATOM 496 CD GLN A 31 -7.915 -1.394 -9.918 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.827 -1.172 -10.452 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.028 -0.736 -10.316 1.00 14.76 N ATOM 0 H GLN A 31 -4.993 -3.025 -6.365 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.716 -3.661 -6.291 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.616 -1.658 -7.494 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.041 -2.767 -8.723 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.485 -3.341 -9.213 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.936 -2.031 -8.139 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.923 -0.929 -9.866 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.972 -0.047 -11.066 1.00 14.76 H new ATOM 507 N ASP A 32 -5.963 -5.422 -8.395 1.00 10.93 N ATOM 508 CA ASP A 32 -5.978 -6.629 -9.194 1.00 14.01 C ATOM 509 C ASP A 32 -6.242 -7.948 -8.410 1.00 14.04 C ATOM 510 O ASP A 32 -6.947 -8.791 -8.925 1.00 13.39 O ATOM 511 CB ASP A 32 -4.665 -6.684 -9.971 1.00 18.01 C ATOM 512 CG ASP A 32 -4.609 -7.585 -11.170 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.211 -7.291 -12.241 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.907 -8.625 -11.059 1.00 25.17 O ATOM 0 H ASP A 32 -5.056 -4.960 -8.331 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.836 -6.569 -9.863 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.425 -5.672 -10.298 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.878 -6.991 -9.282 1.00 18.01 H new ATOM 519 N LYS A 33 -5.785 -8.058 -7.152 1.00 14.22 N ATOM 520 CA LYS A 33 -6.093 -9.226 -6.337 1.00 14.00 C ATOM 521 C LYS A 33 -7.457 -9.098 -5.681 1.00 12.37 C ATOM 522 O LYS A 33 -8.330 -9.995 -5.680 1.00 12.17 O ATOM 523 CB LYS A 33 -4.987 -9.553 -5.290 1.00 18.62 C ATOM 524 CG LYS A 33 -3.581 -9.741 -5.959 1.00 24.00 C ATOM 525 CD LYS A 33 -2.396 -10.312 -5.090 1.00 27.61 C ATOM 526 CE LYS A 33 -1.198 -10.555 -5.978 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.484 -11.529 -7.054 1.00 30.06 N ATOM 0 H LYS A 33 -5.208 -7.356 -6.688 1.00 14.22 H new ATOM 0 HA LYS A 33 -6.122 -10.074 -7.021 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.934 -8.749 -4.555 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.256 -10.461 -4.750 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.709 -10.402 -6.816 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.268 -8.772 -6.347 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.139 -9.609 -4.298 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.699 -11.241 -4.606 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.880 -9.611 -6.421 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.368 -10.919 -5.373 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.592 -11.944 -7.393 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.099 -12.283 -6.686 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.962 -11.046 -7.841 1.00 30.06 H new ATOM 541 N GLU A 34 -7.666 -7.980 -5.062 1.00 10.11 N ATOM 542 CA GLU A 34 -8.768 -7.874 -4.120 1.00 10.07 C ATOM 543 C GLU A 34 -9.935 -7.069 -4.670 1.00 9.32 C ATOM 544 O GLU A 34 -10.933 -6.875 -3.998 1.00 11.61 O ATOM 545 CB GLU A 34 -8.237 -7.216 -2.769 1.00 14.77 C ATOM 546 CG GLU A 34 -7.167 -8.138 -2.140 1.00 18.75 C ATOM 547 CD GLU A 34 -7.671 -9.518 -1.745 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.517 -9.577 -0.838 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.154 -10.590 -2.236 1.00 25.19 O ATOM 0 H GLU A 34 -7.108 -7.134 -5.178 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.143 -8.880 -3.932 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.813 -6.233 -2.972 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.063 -7.070 -2.073 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.346 -8.255 -2.847 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.759 -7.648 -1.256 1.00 18.75 H new ATOM 556 N GLY A 35 -9.835 -6.381 -5.833 1.00 7.22 N ATOM 557 CA GLY A 35 -10.925 -5.647 -6.364 1.00 6.29 C ATOM 558 C GLY A 35 -11.312 -4.355 -5.609 1.00 6.93 C ATOM 559 O GLY A 35 -12.484 -4.111 -5.314 1.00 7.41 O ATOM 0 H GLY A 35 -8.987 -6.342 -6.399 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.690 -5.384 -7.395 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.797 -6.301 -6.393 1.00 6.29 H new ATOM 563 N ILE A 36 -10.343 -3.535 -5.181 1.00 5.86 N ATOM 564 CA ILE A 36 -10.542 -2.326 -4.457 1.00 6.07 C ATOM 565 C ILE A 36 -9.973 -1.137 -5.252 1.00 6.36 C ATOM 566 O ILE A 36 -8.799 -1.098 -5.546 1.00 6.18 O ATOM 567 CB ILE A 36 -9.807 -2.346 -3.126 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.005 -3.681 -2.421 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.353 -1.180 -2.294 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.254 -3.741 -1.054 1.00 9.49 C ATOM 0 H ILE A 36 -9.357 -3.730 -5.352 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.615 -2.228 -4.295 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.733 -2.232 -3.271 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.069 -3.849 -2.257 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.650 -4.486 -3.064 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.851 -1.157 -1.327 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.172 -0.242 -2.819 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.425 -1.311 -2.144 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.424 -4.711 -0.588 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.186 -3.600 -1.219 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.627 -2.953 -0.399 1.00 9.49 H new ATOM 582 N PRO A 37 -10.757 -0.108 -5.596 1.00 8.65 N ATOM 583 CA PRO A 37 -10.170 1.129 -6.127 1.00 9.18 C ATOM 584 C PRO A 37 -8.985 1.788 -5.394 1.00 9.85 C ATOM 585 O PRO A 37 -9.080 1.858 -4.148 1.00 8.51 O ATOM 586 CB PRO A 37 -11.356 2.083 -6.218 1.00 11.42 C ATOM 587 CG PRO A 37 -12.616 1.138 -6.354 1.00 9.27 C ATOM 588 CD PRO A 37 -12.176 -0.213 -5.778 1.00 8.33 C ATOM 0 HA PRO A 37 -9.677 0.875 -7.065 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.427 2.714 -5.332 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.265 2.749 -7.076 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.469 1.539 -5.807 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.923 1.040 -7.395 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.679 -0.419 -4.833 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.425 -1.029 -6.456 1.00 8.33 H new ATOM 596 N PRO A 38 -7.916 2.258 -6.031 1.00 8.71 N ATOM 597 CA PRO A 38 -6.818 2.936 -5.338 1.00 9.08 C ATOM 598 C PRO A 38 -7.216 4.212 -4.643 1.00 9.28 C ATOM 599 O PRO A 38 -6.578 4.601 -3.655 1.00 6.50 O ATOM 600 CB PRO A 38 -5.794 3.291 -6.416 1.00 10.31 C ATOM 601 CG PRO A 38 -5.889 2.018 -7.338 1.00 10.81 C ATOM 602 CD PRO A 38 -7.444 1.716 -7.328 1.00 12.00 C ATOM 0 HA PRO A 38 -6.445 2.268 -4.561 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.053 4.207 -6.947 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.794 3.432 -6.006 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.519 2.215 -8.344 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.309 1.184 -6.942 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.948 2.197 -8.167 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.642 0.647 -7.408 1.00 12.00 H new ATOM 610 N ASP A 39 -8.302 4.885 -5.131 1.00 11.20 N ATOM 611 CA ASP A 39 -8.868 6.088 -4.514 1.00 14.96 C ATOM 612 C ASP A 39 -9.385 5.853 -3.122 1.00 13.99 C ATOM 613 O ASP A 39 -9.169 6.620 -2.195 1.00 13.75 O ATOM 614 CB ASP A 39 -10.007 6.662 -5.429 1.00 24.16 C ATOM 615 CG ASP A 39 -10.426 8.062 -4.980 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.603 9.018 -5.156 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.486 8.169 -4.363 1.00 34.22 O ATOM 0 H ASP A 39 -8.800 4.591 -5.971 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.059 6.812 -4.422 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.663 6.697 -6.463 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.869 5.996 -5.402 1.00 24.16 H new ATOM 622 N GLN A 40 -10.023 4.682 -2.924 1.00 11.60 N ATOM 623 CA GLN A 40 -10.490 4.168 -1.672 1.00 10.76 C ATOM 624 C GLN A 40 -9.304 3.724 -0.843 1.00 8.01 C ATOM 625 O GLN A 40 -9.249 4.030 0.328 1.00 8.96 O ATOM 626 CB GLN A 40 -11.341 2.891 -1.819 1.00 11.14 C ATOM 627 CG GLN A 40 -12.671 3.130 -2.577 1.00 14.85 C ATOM 628 CD GLN A 40 -13.463 1.831 -2.664 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.105 0.768 -2.128 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.574 1.963 -3.449 1.00 18.16 N ATOM 0 H GLN A 40 -10.226 4.050 -3.698 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.077 4.971 -1.227 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.761 2.134 -2.346 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.561 2.492 -0.829 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.260 3.891 -2.064 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.465 3.508 -3.579 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.806 2.869 -3.856 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.171 1.156 -3.627 1.00 18.16 H new ATOM 639 N GLN A 41 -8.384 2.911 -1.378 1.00 6.52 N ATOM 640 CA GLN A 41 -7.283 2.428 -0.603 1.00 3.87 C ATOM 641 C GLN A 41 -6.410 3.544 0.006 1.00 4.79 C ATOM 642 O GLN A 41 -6.125 4.594 -0.653 1.00 6.34 O ATOM 643 CB GLN A 41 -6.359 1.454 -1.392 1.00 4.20 C ATOM 644 CG GLN A 41 -7.050 0.182 -1.900 1.00 3.20 C ATOM 645 CD GLN A 41 -6.120 -0.584 -2.817 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.905 -0.714 -2.562 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.542 -1.040 -4.016 1.00 7.13 N ATOM 0 H GLN A 41 -8.399 2.586 -2.345 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.767 1.886 0.209 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.937 1.986 -2.244 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.526 1.167 -0.751 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.340 -0.445 -1.057 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.965 0.443 -2.432 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.525 -0.959 -4.275 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.878 -1.466 -4.662 1.00 7.13 H new ATOM 656 N ARG A 42 -5.923 3.304 1.224 1.00 5.73 N ATOM 657 CA ARG A 42 -4.826 4.010 1.874 1.00 6.97 C ATOM 658 C ARG A 42 -3.978 2.905 2.513 1.00 7.15 C ATOM 659 O ARG A 42 -4.294 1.734 2.563 1.00 7.33 O ATOM 660 CB ARG A 42 -5.312 4.905 3.011 1.00 13.23 C ATOM 661 CG ARG A 42 -5.924 6.199 2.546 1.00 21.27 C ATOM 662 CD ARG A 42 -6.109 7.227 3.700 1.00 26.14 C ATOM 663 NE ARG A 42 -6.386 8.560 3.062 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.854 9.549 3.822 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.073 9.385 5.114 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.980 10.748 3.261 1.00 36.39 N ATOM 0 H ARG A 42 -6.309 2.568 1.815 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.303 4.636 1.151 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.046 4.358 3.603 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.473 5.127 3.670 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.293 6.637 1.773 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.892 5.994 2.089 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.933 6.932 4.350 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.214 7.275 4.321 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.219 8.704 2.066 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.883 8.484 5.553 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.432 10.159 5.673 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.722 10.883 2.283 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.335 11.532 3.808 1.00 36.39 H new ATOM 680 N LEU A 43 -2.746 3.290 2.754 1.00 4.65 N ATOM 681 CA LEU A 43 -1.708 2.468 3.228 1.00 3.51 C ATOM 682 C LEU A 43 -0.996 3.201 4.401 1.00 5.56 C ATOM 683 O LEU A 43 -0.674 4.402 4.251 1.00 4.19 O ATOM 684 CB LEU A 43 -0.618 2.226 2.079 1.00 3.74 C ATOM 685 CG LEU A 43 -0.730 0.888 1.246 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.384 0.763 0.258 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.772 -0.319 2.108 1.00 6.41 C ATOM 0 H LEU A 43 -2.445 4.253 2.608 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.130 1.514 3.545 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.670 3.063 1.382 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.370 2.256 2.539 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.677 0.948 0.709 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.275 -0.169 -0.297 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.352 1.604 -0.435 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.339 0.762 0.784 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -0.849 -1.209 1.484 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.139 -0.372 2.705 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.636 -0.264 2.770 1.00 6.41 H new ATOM 699 N ILE A 44 -0.790 2.527 5.547 1.00 4.58 N ATOM 700 CA ILE A 44 -0.156 3.154 6.731 1.00 5.55 C ATOM 701 C ILE A 44 1.053 2.308 7.039 1.00 5.46 C ATOM 702 O ILE A 44 0.971 1.064 7.150 1.00 6.04 O ATOM 703 CB ILE A 44 -1.084 3.344 7.920 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.184 4.255 7.391 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.319 3.872 9.192 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.259 4.622 8.432 1.00 13.90 C ATOM 0 H ILE A 44 -1.051 1.550 5.683 1.00 4.58 H new ATOM 0 HA ILE A 44 0.127 4.182 6.506 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.514 2.414 8.291 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.731 5.172 7.015 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.667 3.768 6.544 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.023 3.992 10.016 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.453 3.156 9.476 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.143 4.833 8.966 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.003 5.272 7.973 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.743 3.714 8.791 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.792 5.140 9.270 1.00 13.90 H new ATOM 718 N PHE A 45 2.127 3.002 7.264 1.00 6.75 N ATOM 719 CA PHE A 45 3.413 2.450 7.713 1.00 4.70 C ATOM 720 C PHE A 45 4.137 3.577 8.441 1.00 6.34 C ATOM 721 O PHE A 45 3.989 4.723 8.162 1.00 5.45 O ATOM 722 CB PHE A 45 4.188 1.928 6.378 1.00 5.51 C ATOM 723 CG PHE A 45 5.585 1.539 6.565 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.902 0.451 7.400 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.647 2.204 5.927 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.171 0.259 7.847 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.984 1.927 6.288 1.00 6.64 C ATOM 728 CZ PHE A 45 8.207 0.967 7.342 1.00 6.84 C ATOM 0 H PHE A 45 2.154 4.014 7.141 1.00 6.75 H new ATOM 0 HA PHE A 45 3.333 1.607 8.400 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.643 1.074 5.975 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.147 2.716 5.626 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.125 -0.241 7.690 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.439 2.931 5.156 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.356 -0.472 8.620 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.810 2.416 5.793 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.204 0.813 7.729 1.00 6.84 H new ATOM 738 N ALA A 46 4.985 3.258 9.392 1.00 6.53 N ATOM 739 CA ALA A 46 5.749 4.196 10.199 1.00 7.15 C ATOM 740 C ALA A 46 5.031 5.348 10.856 1.00 9.00 C ATOM 741 O ALA A 46 5.455 6.489 11.079 1.00 11.15 O ATOM 742 CB ALA A 46 7.007 4.686 9.460 1.00 8.99 C ATOM 0 H ALA A 46 5.174 2.287 9.640 1.00 6.53 H new ATOM 0 HA ALA A 46 6.011 3.573 11.054 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.552 5.385 10.094 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.646 3.835 9.225 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.715 5.186 8.536 1.00 8.99 H new ATOM 748 N GLY A 47 3.776 5.028 11.139 1.00 9.35 N ATOM 749 CA GLY A 47 2.795 5.794 11.881 1.00 11.68 C ATOM 750 C GLY A 47 2.162 6.841 11.015 1.00 11.14 C ATOM 751 O GLY A 47 1.394 7.695 11.411 1.00 13.93 O ATOM 0 H GLY A 47 3.386 4.140 10.823 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.027 5.126 12.271 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.272 6.267 12.740 1.00 11.68 H new ATOM 755 N LYS A 48 2.355 6.777 9.702 1.00 10.47 N ATOM 756 CA LYS A 48 1.835 7.672 8.690 1.00 8.82 C ATOM 757 C LYS A 48 1.166 7.039 7.461 1.00 7.68 C ATOM 758 O LYS A 48 1.361 5.864 7.151 1.00 6.47 O ATOM 759 CB LYS A 48 2.990 8.556 8.194 1.00 9.74 C ATOM 760 CG LYS A 48 4.216 7.767 7.574 1.00 14.14 C ATOM 761 CD LYS A 48 5.466 8.622 7.289 1.00 16.32 C ATOM 762 CE LYS A 48 5.959 9.426 8.439 1.00 20.04 C ATOM 763 NZ LYS A 48 7.249 10.017 8.178 1.00 23.92 N ATOM 0 H LYS A 48 2.925 6.037 9.292 1.00 10.47 H new ATOM 0 HA LYS A 48 1.033 8.212 9.193 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.604 9.246 7.444 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.349 9.160 9.027 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.493 6.963 8.256 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.894 7.300 6.643 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.268 7.964 6.956 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.244 9.297 6.463 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.240 10.213 8.665 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.024 8.791 9.323 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.553 10.568 9.006 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.943 9.266 7.988 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.183 10.644 7.351 1.00 23.92 H new ATOM 777 N GLN A 49 0.307 7.837 6.778 1.00 8.89 N ATOM 778 CA GLN A 49 -0.463 7.446 5.567 1.00 7.18 C ATOM 779 C GLN A 49 0.373 7.772 4.297 1.00 8.23 C ATOM 780 O GLN A 49 0.875 8.884 4.019 1.00 9.70 O ATOM 781 CB GLN A 49 -1.829 8.183 5.475 1.00 11.67 C ATOM 782 CG GLN A 49 -2.802 8.000 6.650 1.00 15.82 C ATOM 783 CD GLN A 49 -4.064 8.882 6.628 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.168 8.328 6.590 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.936 10.224 6.692 1.00 20.67 N ATOM 0 H GLN A 49 0.125 8.799 7.062 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.663 6.377 5.637 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.632 9.249 5.362 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.331 7.853 4.565 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.114 6.956 6.678 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.262 8.197 7.576 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.008 10.647 6.722 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.767 10.815 6.710 1.00 20.67 H new ATOM 794 N LEU A 50 0.533 6.766 3.426 1.00 6.51 N ATOM 795 CA LEU A 50 1.424 6.876 2.272 1.00 7.41 C ATOM 796 C LEU A 50 0.734 7.525 1.059 1.00 8.27 C ATOM 797 O LEU A 50 -0.371 7.124 0.631 1.00 8.34 O ATOM 798 CB LEU A 50 2.014 5.428 1.777 1.00 7.13 C ATOM 799 CG LEU A 50 2.531 4.541 2.981 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.118 3.189 2.508 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.534 5.192 3.913 1.00 9.11 C ATOM 0 H LEU A 50 0.055 5.868 3.502 1.00 6.51 H new ATOM 0 HA LEU A 50 2.242 7.505 2.624 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.236 4.887 1.239 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.831 5.593 1.074 1.00 7.13 H new ATOM 0 HG LEU A 50 1.618 4.392 3.558 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.459 2.618 3.372 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.350 2.624 1.979 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.959 3.372 1.839 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.813 4.488 4.697 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.422 5.478 3.349 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.089 6.079 4.364 1.00 9.11 H new ATOM 813 N GLU A 51 1.373 8.649 0.509 1.00 9.43 N ATOM 814 CA GLU A 51 0.861 9.421 -0.651 1.00 11.90 C ATOM 815 C GLU A 51 1.274 8.755 -1.994 1.00 11.49 C ATOM 816 O GLU A 51 2.404 8.261 -2.116 1.00 9.88 O ATOM 817 CB GLU A 51 1.350 10.943 -0.633 1.00 16.56 C ATOM 818 CG GLU A 51 0.499 11.848 0.331 1.00 26.06 C ATOM 819 CD GLU A 51 1.054 13.241 0.325 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.993 13.827 -0.751 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.572 13.733 1.384 1.00 32.13 O ATOM 0 H GLU A 51 2.250 9.017 0.878 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.226 9.417 -0.567 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.396 10.980 -0.328 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.298 11.348 -1.644 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.543 11.859 0.012 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.519 11.441 1.342 1.00 26.06 H new ATOM 828 N ASP A 52 0.332 8.753 -2.931 1.00 12.71 N ATOM 829 CA ASP A 52 0.144 7.924 -4.049 1.00 16.56 C ATOM 830 C ASP A 52 1.275 7.935 -5.131 1.00 15.83 C ATOM 831 O ASP A 52 1.875 6.972 -5.527 1.00 17.21 O ATOM 832 CB ASP A 52 -1.161 8.264 -4.750 1.00 21.05 C ATOM 833 CG ASP A 52 -2.407 8.294 -3.877 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.375 8.945 -2.795 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.441 7.775 -4.328 1.00 25.82 O ATOM 0 H ASP A 52 -0.412 9.449 -2.887 1.00 12.71 H new ATOM 0 HA ASP A 52 0.147 6.924 -3.615 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.051 9.240 -5.223 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.320 7.539 -5.548 1.00 21.05 H new ATOM 840 N GLY A 53 1.691 9.198 -5.432 1.00 15.00 N ATOM 841 CA GLY A 53 2.706 9.465 -6.451 1.00 11.77 C ATOM 842 C GLY A 53 4.084 9.449 -5.954 1.00 11.10 C ATOM 843 O GLY A 53 4.970 9.858 -6.684 1.00 11.25 O ATOM 0 H GLY A 53 1.330 10.035 -4.975 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.610 8.723 -7.244 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.506 10.438 -6.899 1.00 11.77 H new ATOM 847 N ARG A 54 4.322 9.051 -4.699 1.00 8.53 N ATOM 848 CA ARG A 54 5.575 8.926 -4.111 1.00 9.05 C ATOM 849 C ARG A 54 6.071 7.575 -4.457 1.00 8.96 C ATOM 850 O ARG A 54 5.286 6.668 -4.742 1.00 11.60 O ATOM 851 CB ARG A 54 5.616 8.874 -2.479 1.00 7.97 C ATOM 852 CG ARG A 54 5.203 10.139 -1.743 1.00 9.62 C ATOM 853 CD ARG A 54 6.103 11.365 -2.039 1.00 12.20 C ATOM 854 NE ARG A 54 5.894 12.404 -0.958 1.00 18.23 N ATOM 855 CZ ARG A 54 6.563 13.544 -0.764 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.931 13.560 -0.793 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.981 14.681 -0.358 1.00 23.38 N ATOM 0 H ARG A 54 3.566 8.802 -4.061 1.00 8.53 H new ATOM 0 HA ARG A 54 6.128 9.798 -4.460 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.969 8.062 -2.148 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.630 8.618 -2.172 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.175 10.383 -2.011 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.215 9.943 -0.671 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.150 11.064 -2.074 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.859 11.784 -3.015 1.00 12.20 H new ATOM 0 HE ARG A 54 5.146 12.209 -0.292 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.448 12.697 -0.964 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.434 14.435 -0.644 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.977 14.705 -0.181 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.542 15.522 -0.226 1.00 23.38 H new ATOM 871 N THR A 55 7.406 7.394 -4.409 1.00 9.05 N ATOM 872 CA THR A 55 7.994 6.105 -4.600 1.00 9.03 C ATOM 873 C THR A 55 8.246 5.485 -3.247 1.00 8.15 C ATOM 874 O THR A 55 8.442 6.097 -2.212 1.00 5.91 O ATOM 875 CB THR A 55 9.267 5.997 -5.454 1.00 11.15 C ATOM 876 OG1 THR A 55 10.212 6.848 -4.886 1.00 11.95 O ATOM 877 CG2 THR A 55 8.890 6.560 -6.803 1.00 11.71 C ATOM 0 H THR A 55 8.077 8.143 -4.238 1.00 9.05 H new ATOM 0 HA THR A 55 7.255 5.573 -5.200 1.00 9.03 H new ATOM 0 HB THR A 55 9.653 4.980 -5.521 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.972 6.322 -4.559 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.752 6.516 -7.469 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.074 5.975 -7.226 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.572 7.596 -6.689 1.00 11.71 H new ATOM 885 N LEU A 56 8.403 4.171 -3.257 1.00 6.91 N ATOM 886 CA LEU A 56 8.678 3.364 -2.084 1.00 8.29 C ATOM 887 C LEU A 56 9.980 3.809 -1.436 1.00 8.05 C ATOM 888 O LEU A 56 10.072 3.910 -0.193 1.00 10.17 O ATOM 889 CB LEU A 56 8.768 1.919 -2.588 1.00 6.60 C ATOM 890 CG LEU A 56 7.428 1.281 -2.925 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.651 0.246 -4.029 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.737 0.582 -1.807 1.00 8.64 C ATOM 0 H LEU A 56 8.340 3.620 -4.113 1.00 6.91 H new ATOM 0 HA LEU A 56 7.903 3.464 -1.324 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.400 1.896 -3.476 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.263 1.313 -1.829 1.00 6.60 H new ATOM 0 HG LEU A 56 6.785 2.113 -3.212 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.701 -0.223 -4.285 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.062 0.737 -4.911 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.349 -0.515 -3.679 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.794 0.168 -2.164 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.370 -0.224 -1.435 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.540 1.290 -1.002 1.00 8.64 H new ATOM 904 N SER A 57 11.004 4.197 -2.208 1.00 8.92 N ATOM 905 CA SER A 57 12.186 4.814 -1.667 1.00 9.00 C ATOM 906 C SER A 57 12.085 5.985 -0.749 1.00 9.44 C ATOM 907 O SER A 57 12.836 6.081 0.259 1.00 10.91 O ATOM 908 CB SER A 57 13.239 5.043 -2.744 1.00 10.32 C ATOM 909 OG SER A 57 12.931 6.149 -3.595 1.00 13.59 O ATOM 0 H SER A 57 11.020 4.085 -3.222 1.00 8.92 H new ATOM 0 HA SER A 57 12.487 4.044 -0.957 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.206 5.214 -2.270 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.335 4.141 -3.349 1.00 10.32 H new ATOM 0 HG SER A 57 13.638 6.253 -4.266 1.00 13.59 H new ATOM 915 N ASP A 58 11.172 6.933 -1.043 1.00 9.11 N ATOM 916 CA ASP A 58 10.930 8.162 -0.267 1.00 7.91 C ATOM 917 C ASP A 58 10.431 7.910 1.168 1.00 9.12 C ATOM 918 O ASP A 58 10.741 8.652 2.097 1.00 8.61 O ATOM 919 CB ASP A 58 10.012 9.008 -1.158 1.00 8.41 C ATOM 920 CG ASP A 58 10.201 10.411 -0.832 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.256 10.989 -1.168 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.238 11.060 -0.300 1.00 10.05 O ATOM 0 H ASP A 58 10.562 6.859 -1.857 1.00 9.11 H new ATOM 0 HA ASP A 58 11.851 8.704 -0.053 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.240 8.831 -2.209 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.971 8.723 -1.005 1.00 8.41 H new ATOM 927 N TYR A 59 9.788 6.717 1.397 1.00 7.97 N ATOM 928 CA TYR A 59 9.210 6.273 2.656 1.00 8.45 C ATOM 929 C TYR A 59 10.210 5.244 3.231 1.00 10.98 C ATOM 930 O TYR A 59 9.914 4.593 4.278 1.00 12.95 O ATOM 931 CB TYR A 59 7.810 5.644 2.433 1.00 7.94 C ATOM 932 CG TYR A 59 6.808 6.736 2.257 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.515 7.595 3.341 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.007 6.838 1.114 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.573 8.607 3.221 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.052 7.846 0.973 1.00 6.52 C ATOM 937 CZ TYR A 59 4.741 8.633 2.083 1.00 6.76 C ATOM 938 OH TYR A 59 3.804 9.674 1.968 1.00 7.63 O ATOM 0 H TYR A 59 9.668 6.027 0.656 1.00 7.97 H new ATOM 0 HA TYR A 59 9.057 7.103 3.346 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.823 5.000 1.554 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.539 5.018 3.283 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.033 7.461 4.279 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.131 6.117 0.319 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.479 9.362 3.987 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.564 8.014 0.024 1.00 6.52 H new ATOM 0 HH TYR A 59 3.984 10.188 1.153 1.00 7.63 H new ATOM 948 N ASN A 60 11.331 4.945 2.596 1.00 12.38 N ATOM 949 CA ASN A 60 12.293 3.854 2.883 1.00 13.94 C ATOM 950 C ASN A 60 11.578 2.597 3.288 1.00 14.16 C ATOM 951 O ASN A 60 11.720 2.029 4.367 1.00 14.26 O ATOM 952 CB ASN A 60 13.368 4.295 3.953 1.00 19.23 C ATOM 953 CG ASN A 60 14.539 3.358 4.057 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.729 2.719 5.101 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.390 3.326 3.033 1.00 24.09 N ATOM 0 H ASN A 60 11.632 5.498 1.794 1.00 12.38 H new ATOM 0 HA ASN A 60 12.836 3.637 1.963 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.732 5.291 3.700 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.887 4.370 4.928 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.236 2.760 3.091 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.195 3.868 2.191 1.00 24.09 H new ATOM 962 N ILE A 61 10.777 2.029 2.361 1.00 11.08 N ATOM 963 CA ILE A 61 10.173 0.794 2.649 1.00 11.78 C ATOM 964 C ILE A 61 11.101 -0.326 2.235 1.00 13.74 C ATOM 965 O ILE A 61 11.524 -0.469 1.106 1.00 14.60 O ATOM 966 CB ILE A 61 8.842 0.830 1.928 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.833 1.903 2.525 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.152 -0.577 2.013 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.712 2.260 1.489 1.00 11.42 C ATOM 0 H ILE A 61 10.563 2.423 1.445 1.00 11.08 H new ATOM 0 HA ILE A 61 9.990 0.614 3.708 1.00 11.78 H new ATOM 0 HB ILE A 61 9.064 1.109 0.898 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.380 1.513 3.436 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.378 2.806 2.801 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.195 -0.545 1.493 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.793 -1.325 1.547 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.988 -0.839 3.058 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.036 2.996 1.924 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.167 2.672 0.588 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.153 1.360 1.233 1.00 11.42 H new ATOM 981 N GLN A 62 11.507 -1.112 3.253 1.00 13.97 N ATOM 982 CA GLN A 62 12.437 -2.150 3.069 1.00 15.52 C ATOM 983 C GLN A 62 11.781 -3.491 2.847 1.00 13.94 C ATOM 984 O GLN A 62 10.585 -3.639 3.013 1.00 12.15 O ATOM 985 CB GLN A 62 13.467 -2.347 4.199 1.00 19.53 C ATOM 986 CG GLN A 62 14.455 -1.101 4.156 1.00 26.38 C ATOM 987 CD GLN A 62 15.377 -1.070 5.377 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.736 -2.136 5.940 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.789 0.182 5.753 1.00 32.71 N ATOM 0 H GLN A 62 11.175 -1.013 4.212 1.00 13.97 H new ATOM 0 HA GLN A 62 12.967 -1.806 2.181 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.969 -2.410 5.167 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.016 -3.279 4.061 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.055 -1.143 3.247 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.876 -0.178 4.113 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.455 1.002 5.247 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.430 0.293 6.538 1.00 32.71 H new ATOM 998 N LYS A 63 12.610 -4.500 2.593 1.00 11.73 N ATOM 999 CA LYS A 63 12.305 -5.904 2.401 1.00 11.97 C ATOM 1000 C LYS A 63 11.634 -6.513 3.646 1.00 10.41 C ATOM 1001 O LYS A 63 12.096 -6.289 4.777 1.00 9.59 O ATOM 1002 CB LYS A 63 13.618 -6.653 1.993 1.00 13.73 C ATOM 1003 CG LYS A 63 14.825 -6.474 2.940 1.00 16.98 C ATOM 1004 CD LYS A 63 16.132 -7.152 2.428 1.00 20.19 C ATOM 1005 CE LYS A 63 17.249 -7.073 3.401 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.450 -7.690 2.713 1.00 25.97 N ATOM 0 H LYS A 63 13.612 -4.331 2.509 1.00 11.73 H new ATOM 0 HA LYS A 63 11.579 -6.016 1.596 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.396 -7.718 1.917 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.910 -6.317 0.998 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.010 -5.409 3.080 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.572 -6.885 3.917 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.927 -8.199 2.204 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.437 -6.680 1.494 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.449 -6.039 3.681 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.006 -7.611 4.318 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.269 -7.662 3.353 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.238 -8.678 2.465 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.668 -7.155 1.848 1.00 25.97 H new ATOM 1020 N GLU A 64 10.471 -7.213 3.512 1.00 10.04 N ATOM 1021 CA GLU A 64 9.725 -7.757 4.656 1.00 10.94 C ATOM 1022 C GLU A 64 9.092 -6.664 5.494 1.00 9.74 C ATOM 1023 O GLU A 64 8.644 -6.931 6.600 1.00 9.42 O ATOM 1024 CB GLU A 64 10.474 -8.884 5.446 1.00 18.31 C ATOM 1025 CG GLU A 64 10.854 -10.149 4.592 1.00 24.16 C ATOM 1026 CD GLU A 64 11.551 -11.209 5.385 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.446 -10.893 6.173 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.205 -12.380 5.152 1.00 31.72 O ATOM 0 H GLU A 64 10.038 -7.408 2.610 1.00 10.04 H new ATOM 0 HA GLU A 64 8.882 -8.309 4.242 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.385 -8.465 5.873 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.848 -9.201 6.280 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.948 -10.569 4.154 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.495 -9.842 3.766 1.00 24.16 H new ATOM 1035 N SER A 65 9.048 -5.461 5.027 1.00 6.85 N ATOM 1036 CA SER A 65 8.245 -4.402 5.630 1.00 6.90 C ATOM 1037 C SER A 65 6.755 -4.828 5.586 1.00 4.72 C ATOM 1038 O SER A 65 6.348 -5.566 4.680 1.00 3.91 O ATOM 1039 CB SER A 65 8.562 -2.985 5.149 1.00 7.28 C ATOM 1040 OG SER A 65 7.842 -1.984 5.917 1.00 10.56 O ATOM 0 H SER A 65 9.570 -5.162 4.203 1.00 6.85 H new ATOM 0 HA SER A 65 8.527 -4.299 6.678 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.634 -2.804 5.230 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.302 -2.892 4.095 1.00 7.28 H new ATOM 0 HG SER A 65 8.464 -1.284 6.207 1.00 10.56 H new ATOM 1046 N THR A 66 5.977 -4.405 6.585 1.00 4.48 N ATOM 1047 CA THR A 66 4.493 -4.667 6.707 1.00 3.80 C ATOM 1048 C THR A 66 3.807 -3.379 6.601 1.00 4.60 C ATOM 1049 O THR A 66 4.020 -2.450 7.335 1.00 5.33 O ATOM 1050 CB THR A 66 4.090 -5.355 7.993 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.633 -6.651 8.064 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.567 -5.509 8.075 1.00 3.40 C ATOM 0 H THR A 66 6.344 -3.856 7.362 1.00 4.48 H new ATOM 0 HA THR A 66 4.211 -5.353 5.909 1.00 3.80 H new ATOM 0 HB THR A 66 4.463 -4.735 8.808 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.360 -7.074 8.905 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.301 -6.006 9.008 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.100 -4.525 8.042 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.216 -6.106 7.233 1.00 3.40 H new ATOM 1060 N LEU A 67 2.972 -3.248 5.536 1.00 4.17 N ATOM 1061 CA LEU A 67 2.221 -2.060 5.297 1.00 3.85 C ATOM 1062 C LEU A 67 0.819 -2.448 5.723 1.00 3.80 C ATOM 1063 O LEU A 67 0.314 -3.583 5.444 1.00 5.54 O ATOM 1064 CB LEU A 67 2.314 -1.651 3.857 1.00 7.18 C ATOM 1065 CG LEU A 67 3.763 -1.503 3.252 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.607 -0.800 1.898 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.735 -0.740 4.099 1.00 11.66 C ATOM 0 H LEU A 67 2.825 -3.980 4.841 1.00 4.17 H new ATOM 0 HA LEU A 67 2.580 -1.188 5.843 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.770 -2.383 3.260 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.798 -0.698 3.741 1.00 7.18 H new ATOM 0 HG LEU A 67 4.189 -2.504 3.176 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.587 -0.674 1.438 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.975 -1.403 1.246 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.148 0.177 2.046 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.700 -0.695 3.595 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.362 0.272 4.259 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.851 -1.241 5.060 1.00 11.66 H new ATOM 1079 N HIS A 68 0.125 -1.546 6.424 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.245 -1.827 6.801 1.00 4.17 C ATOM 1081 C HIS A 68 -2.227 -1.147 5.896 1.00 5.32 C ATOM 1082 O HIS A 68 -2.094 0.049 5.551 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.402 -1.114 8.165 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.247 -1.462 9.075 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.900 -0.771 9.249 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.032 -2.674 9.665 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.756 -1.485 10.003 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.272 -2.662 10.282 1.00 16.30 N ATOM 0 H HIS A 68 0.485 -0.642 6.730 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.428 -2.901 6.784 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.444 -0.035 8.016 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.342 -1.409 8.631 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.090 0.155 8.866 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.632 -3.526 9.649 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.720 -1.128 10.334 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.275 -1.878 5.481 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.246 -1.429 4.452 1.00 3.97 C ATOM 1098 C LEU A 69 -5.412 -0.740 5.197 1.00 5.07 C ATOM 1099 O LEU A 69 -5.905 -1.332 6.169 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.770 -2.611 3.587 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.365 -2.186 2.209 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.305 -1.635 1.271 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.983 -3.469 1.549 1.00 9.96 C ATOM 0 H LEU A 69 -3.480 -2.807 5.850 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.758 -0.741 3.761 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.952 -3.311 3.416 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.535 -3.146 4.150 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.104 -1.402 2.376 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -4.767 -1.353 0.325 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -3.839 -0.759 1.723 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.547 -2.397 1.091 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.410 -3.210 0.580 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.204 -4.219 1.413 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.764 -3.870 2.195 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.786 0.521 4.815 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.866 1.260 5.365 1.00 6.26 C ATOM 1117 C VAL A 70 -7.700 1.744 4.185 1.00 9.22 C ATOM 1118 O VAL A 70 -7.193 1.736 3.084 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.355 2.336 6.303 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.539 3.187 6.861 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.622 1.683 7.468 1.00 8.54 C ATOM 0 H VAL A 70 -5.294 1.032 4.082 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.515 0.663 6.005 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.680 2.988 5.749 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.152 3.954 7.532 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.067 3.662 6.034 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.226 2.541 7.407 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.253 2.454 8.144 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.306 1.026 8.005 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.782 1.101 7.089 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.987 2.050 4.359 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.794 2.564 3.247 1.00 16.06 C ATOM 1133 C LEU A 71 -10.242 3.980 3.701 1.00 18.09 C ATOM 1134 O LEU A 71 -10.684 4.253 4.813 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.022 1.658 2.851 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.752 0.270 2.236 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.082 -0.427 1.848 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.914 0.287 0.883 1.00 19.57 C ATOM 0 H LEU A 71 -9.488 1.954 5.242 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.202 2.579 2.332 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.626 1.511 3.746 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.632 2.220 2.144 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.189 -0.243 3.016 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.868 -1.405 1.416 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.701 -0.551 2.737 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.613 0.184 1.118 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.776 -0.734 0.528 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.451 0.863 0.130 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.941 0.743 1.064 1.00 19.57 H new