USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -86:sc= 1.15 USER MOD Set 1.2: A 57 SER OG : rot -87:sc= 0.268 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= -0.226 USER MOD Set 2.2: A 33 LYS NZ :NH3+ 165:sc= 1.06 (180deg=1.22) USER MOD Set 3.1: A 22 THR OG1 : rot -32:sc= 0.0951 USER MOD Set 3.2: A 25 ASN : amide:sc= 0.137 K(o=0.23,f=-2.3!) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.83 (180deg=-0.83) USER MOD Single : A 1 MET N :NH3+ -136:sc= 1.62 (180deg=1.08) USER MOD Single : A 2 GLN : amide:sc=-0.00342 X(o=-0.0034,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -143:sc= 0.849 (180deg=0.186) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 1.26 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.417 K(o=-0.42,f=-2.5!) USER MOD Single : A 40 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1.4!) USER MOD Single : A 41 GLN : amide:sc= 0.591 K(o=0.59,f=-2.5!) 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=-0.059) USER MOD Single : A 59 TYR OH : rot 15:sc= 0.303 USER MOD Single : A 60 ASN : amide:sc= -0.0225 X(o=-0.023,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 93:sc= 0.0188 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.218 K(o=0.22,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.861 -7.443 -5.309 1.00 9.67 N ATOM 2 CA MET A 1 10.773 -7.203 -3.898 1.00 10.38 C ATOM 3 C MET A 1 9.453 -7.793 -3.310 1.00 9.62 C ATOM 4 O MET A 1 8.396 -7.329 -3.726 1.00 9.62 O ATOM 5 CB MET A 1 10.913 -5.696 -3.498 1.00 13.77 C ATOM 6 CG MET A 1 11.407 -5.440 -2.046 1.00 16.29 C ATOM 7 SD MET A 1 11.909 -3.762 -1.618 1.00 17.17 S ATOM 8 CE MET A 1 10.353 -2.976 -1.494 1.00 16.11 C ATOM 0 H1 MET A 1 11.822 -7.760 -5.548 1.00 9.67 H new ATOM 0 H2 MET A 1 10.176 -8.178 -5.580 1.00 9.67 H new ATOM 0 H3 MET A 1 10.648 -6.565 -5.824 1.00 9.67 H new ATOM 0 HA MET A 1 11.630 -7.718 -3.464 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.605 -5.216 -4.190 1.00 13.77 H new ATOM 0 HB3 MET A 1 9.945 -5.211 -3.626 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.611 -5.737 -1.363 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.252 -6.102 -1.857 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.495 -1.927 -1.234 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.833 -3.046 -2.449 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.759 -3.464 -0.721 1.00 16.11 H new ATOM 20 N GLN A 2 9.536 -8.754 -2.390 1.00 9.27 N ATOM 21 CA GLN A 2 8.311 -9.148 -1.830 1.00 9.07 C ATOM 22 C GLN A 2 7.914 -8.318 -0.628 1.00 8.72 C ATOM 23 O GLN A 2 8.722 -8.118 0.277 1.00 8.22 O ATOM 24 CB GLN A 2 8.264 -10.618 -1.454 1.00 14.46 C ATOM 25 CG GLN A 2 6.867 -11.140 -0.882 1.00 17.01 C ATOM 26 CD GLN A 2 6.937 -12.611 -0.492 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.716 -13.056 0.358 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.111 -13.401 -1.200 1.00 19.49 N ATOM 0 H GLN A 2 10.379 -9.222 -2.058 1.00 9.27 H new ATOM 0 HA GLN A 2 7.590 -8.975 -2.629 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.519 -11.208 -2.334 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.036 -10.809 -0.708 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.583 -10.546 -0.013 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.090 -10.998 -1.633 1.00 17.01 H new ATOM 0 HE21 GLN A 2 5.483 -12.992 -1.892 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.112 -14.409 -1.045 1.00 19.49 H new ATOM 37 N ILE A 3 6.663 -7.744 -0.473 1.00 5.87 N ATOM 38 CA ILE A 3 6.187 -6.981 0.670 1.00 5.07 C ATOM 39 C ILE A 3 4.848 -7.489 1.110 1.00 4.01 C ATOM 40 O ILE A 3 4.129 -8.120 0.378 1.00 4.61 O ATOM 41 CB ILE A 3 6.133 -5.408 0.560 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.276 -4.875 -0.603 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.599 -4.897 0.530 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.105 -3.347 -0.763 1.00 10.83 C ATOM 0 H ILE A 3 5.951 -7.826 -1.198 1.00 5.87 H new ATOM 0 HA ILE A 3 6.973 -7.155 1.405 1.00 5.07 H new ATOM 0 HB ILE A 3 5.612 -5.010 1.431 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.703 -5.258 -1.530 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.281 -5.310 -0.506 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.604 -3.810 0.454 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.108 -5.199 1.445 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.115 -5.323 -0.330 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.475 -3.140 -1.628 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.638 -2.937 0.133 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.082 -2.885 -0.907 1.00 10.83 H new ATOM 56 N PHE A 4 4.445 -7.170 2.367 1.00 4.55 N ATOM 57 CA PHE A 4 3.288 -7.694 2.918 1.00 4.68 C ATOM 58 C PHE A 4 2.311 -6.593 3.306 1.00 5.30 C ATOM 59 O PHE A 4 2.686 -5.565 3.868 1.00 5.58 O ATOM 60 CB PHE A 4 3.493 -8.623 4.154 1.00 4.83 C ATOM 61 CG PHE A 4 4.688 -9.636 4.070 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.832 -10.462 2.945 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.524 -9.837 5.168 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.774 -11.469 2.878 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.457 -10.804 5.131 1.00 10.61 C ATOM 66 CZ PHE A 4 6.657 -11.633 3.968 1.00 8.90 C ATOM 0 H PHE A 4 4.954 -6.536 2.983 1.00 4.55 H new ATOM 0 HA PHE A 4 2.887 -8.317 2.118 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.637 -7.996 5.034 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.575 -9.189 4.313 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.180 -10.304 2.098 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.422 -9.217 6.046 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.834 -12.115 2.014 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.077 -10.965 6.000 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.458 -12.357 3.932 1.00 8.90 H new ATOM 76 N VAL A 5 1.026 -6.734 3.016 1.00 4.44 N ATOM 77 CA VAL A 5 0.015 -5.793 3.522 1.00 3.87 C ATOM 78 C VAL A 5 -1.062 -6.530 4.300 1.00 4.93 C ATOM 79 O VAL A 5 -1.716 -7.507 3.839 1.00 6.84 O ATOM 80 CB VAL A 5 -0.760 -5.081 2.418 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.707 -3.984 2.938 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.251 -4.372 1.451 1.00 9.13 C ATOM 0 H VAL A 5 0.651 -7.485 2.436 1.00 4.44 H new ATOM 0 HA VAL A 5 0.586 -5.084 4.121 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.354 -5.852 1.927 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.224 -3.521 2.097 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.438 -4.425 3.615 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.130 -3.227 3.470 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.299 -3.862 0.660 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.841 -3.645 2.010 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.915 -5.115 1.010 1.00 9.13 H new ATOM 92 N LYS A 6 -1.379 -5.947 5.535 1.00 6.04 N ATOM 93 CA LYS A 6 -2.337 -6.490 6.469 1.00 6.12 C ATOM 94 C LYS A 6 -3.477 -5.531 6.611 1.00 6.57 C ATOM 95 O LYS A 6 -3.440 -4.299 6.879 1.00 5.76 O ATOM 96 CB LYS A 6 -1.623 -6.672 7.834 1.00 7.45 C ATOM 97 CG LYS A 6 -2.535 -7.401 8.893 1.00 11.12 C ATOM 98 CD LYS A 6 -1.688 -7.961 10.049 1.00 14.54 C ATOM 99 CE LYS A 6 -1.334 -6.912 11.174 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.795 -7.673 12.331 1.00 20.55 N ATOM 0 H LYS A 6 -0.945 -5.084 5.862 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.722 -7.448 6.120 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.708 -7.246 7.689 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.329 -5.696 8.221 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.276 -6.703 9.284 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.083 -8.211 8.412 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.224 -8.794 10.504 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.761 -8.363 9.641 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.600 -6.192 10.812 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.219 -6.346 11.465 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.549 -7.013 13.096 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.513 -8.344 12.670 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.055 -8.195 12.037 1.00 20.55 H new ATOM 114 N THR A 7 -4.594 -6.201 6.697 1.00 7.41 N ATOM 115 CA THR A 7 -5.854 -5.576 6.829 1.00 7.48 C ATOM 116 C THR A 7 -6.296 -5.456 8.268 1.00 8.75 C ATOM 117 O THR A 7 -5.667 -5.885 9.249 1.00 8.58 O ATOM 118 CB THR A 7 -6.910 -6.156 5.937 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.439 -7.389 6.438 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.358 -6.494 4.581 1.00 9.17 C ATOM 0 H THR A 7 -4.639 -7.220 6.675 1.00 7.41 H new ATOM 0 HA THR A 7 -5.711 -4.557 6.470 1.00 7.48 H new ATOM 0 HB THR A 7 -7.682 -5.388 5.890 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.124 -7.725 5.823 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.150 -6.912 3.960 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.967 -5.591 4.112 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.556 -7.224 4.686 1.00 9.17 H new ATOM 128 N LEU A 8 -7.447 -4.831 8.436 1.00 9.84 N ATOM 129 CA LEU A 8 -8.078 -4.528 9.675 1.00 14.15 C ATOM 130 C LEU A 8 -8.653 -5.761 10.397 1.00 17.37 C ATOM 131 O LEU A 8 -8.710 -5.844 11.657 1.00 17.01 O ATOM 132 CB LEU A 8 -9.236 -3.521 9.500 1.00 16.63 C ATOM 133 CG LEU A 8 -9.979 -3.096 10.742 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.165 -2.087 11.623 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.281 -2.438 10.265 1.00 18.59 C ATOM 0 H LEU A 8 -7.994 -4.504 7.639 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.278 -4.103 10.281 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.835 -2.626 9.024 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.958 -3.954 8.807 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.159 -3.967 11.372 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.750 -1.817 12.502 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.230 -2.551 11.938 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.948 -1.190 11.043 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.860 -2.110 11.128 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.046 -1.578 9.638 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.863 -3.158 9.690 1.00 18.59 H new ATOM 147 N THR A 9 -8.839 -6.879 9.671 1.00 18.33 N ATOM 148 CA THR A 9 -9.409 -8.139 10.235 1.00 19.24 C ATOM 149 C THR A 9 -8.330 -9.166 10.175 1.00 19.48 C ATOM 150 O THR A 9 -8.520 -10.342 10.470 1.00 23.14 O ATOM 151 CB THR A 9 -10.687 -8.553 9.430 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.360 -8.795 8.069 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.812 -7.534 9.468 1.00 19.70 C ATOM 0 H THR A 9 -8.603 -6.945 8.681 1.00 18.33 H new ATOM 0 HA THR A 9 -9.730 -8.017 11.269 1.00 19.24 H new ATOM 0 HB THR A 9 -11.047 -9.455 9.924 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.168 -9.054 7.579 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.656 -7.902 8.885 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.125 -7.376 10.500 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.463 -6.591 9.046 1.00 19.70 H new ATOM 161 N GLY A 10 -7.035 -8.798 9.875 1.00 19.43 N ATOM 162 CA GLY A 10 -5.843 -9.645 9.929 1.00 18.74 C ATOM 163 C GLY A 10 -5.431 -10.411 8.761 1.00 17.62 C ATOM 164 O GLY A 10 -4.385 -11.038 8.744 1.00 19.74 O ATOM 0 H GLY A 10 -6.812 -7.848 9.577 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.005 -9.005 10.207 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.988 -10.353 10.745 1.00 18.74 H new ATOM 168 N LYS A 11 -6.200 -10.310 7.676 1.00 13.56 N ATOM 169 CA LYS A 11 -5.801 -10.934 6.404 1.00 11.91 C ATOM 170 C LYS A 11 -4.511 -10.369 5.873 1.00 10.18 C ATOM 171 O LYS A 11 -4.314 -9.161 5.830 1.00 9.10 O ATOM 172 CB LYS A 11 -6.848 -10.697 5.285 1.00 13.43 C ATOM 173 CG LYS A 11 -6.541 -11.561 4.031 1.00 16.69 C ATOM 174 CD LYS A 11 -7.728 -11.526 2.999 1.00 17.92 C ATOM 175 CE LYS A 11 -7.293 -11.944 1.561 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.426 -11.699 0.662 1.00 21.93 N ATOM 0 H LYS A 11 -7.089 -9.812 7.646 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.702 -11.994 6.638 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.843 -10.936 5.659 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.856 -9.642 5.009 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.631 -11.198 3.552 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.353 -12.591 4.335 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.521 -12.191 3.341 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.147 -10.520 2.969 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.422 -11.371 1.243 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.008 -12.996 1.539 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.468 -12.450 -0.056 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.310 -11.694 1.211 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.304 -10.779 0.193 1.00 21.93 H new ATOM 190 N THR A 12 -3.463 -11.191 5.516 1.00 9.63 N ATOM 191 CA THR A 12 -2.207 -10.707 4.970 1.00 9.85 C ATOM 192 C THR A 12 -2.083 -11.184 3.545 1.00 11.66 C ATOM 193 O THR A 12 -2.340 -12.321 3.125 1.00 12.33 O ATOM 194 CB THR A 12 -1.025 -11.160 5.823 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.070 -12.526 6.139 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.851 -10.272 7.057 1.00 9.63 C ATOM 0 H THR A 12 -3.498 -12.206 5.612 1.00 9.63 H new ATOM 0 HA THR A 12 -2.198 -9.617 4.982 1.00 9.85 H new ATOM 0 HB THR A 12 -0.131 -11.035 5.213 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.290 -12.762 6.684 1.00 10.91 H new ATOM 0 HG21 THR A 12 -0.001 -10.623 7.641 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.675 -9.243 6.743 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.753 -10.316 7.667 1.00 9.63 H new ATOM 204 N ILE A 13 -1.754 -10.222 2.695 1.00 10.42 N ATOM 205 CA ILE A 13 -1.510 -10.448 1.242 1.00 11.84 C ATOM 206 C ILE A 13 -0.044 -10.112 0.999 1.00 10.55 C ATOM 207 O ILE A 13 0.541 -9.319 1.722 1.00 11.92 O ATOM 208 CB ILE A 13 -2.418 -9.628 0.358 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.010 -8.072 0.214 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.870 -9.817 0.816 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.865 -7.250 -0.771 1.00 16.46 C ATOM 0 H ILE A 13 -1.643 -9.248 2.978 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.733 -11.483 0.982 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.300 -10.007 -0.657 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.071 -7.606 1.197 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.968 -8.015 -0.101 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.531 -9.227 0.181 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.141 -10.870 0.742 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.971 -9.488 1.850 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.507 -6.221 -0.792 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.787 -7.682 -1.769 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.906 -7.266 -0.450 1.00 16.46 H new ATOM 223 N THR A 14 0.555 -10.683 -0.053 1.00 9.39 N ATOM 224 CA THR A 14 1.872 -10.443 -0.601 1.00 9.63 C ATOM 225 C THR A 14 1.791 -9.586 -1.858 1.00 11.20 C ATOM 226 O THR A 14 0.825 -9.711 -2.686 1.00 11.63 O ATOM 227 CB THR A 14 2.582 -11.738 -0.978 1.00 10.38 C ATOM 228 OG1 THR A 14 1.687 -12.545 -1.725 1.00 16.30 O ATOM 229 CG2 THR A 14 2.886 -12.548 0.273 1.00 11.66 C ATOM 0 H THR A 14 0.066 -11.399 -0.590 1.00 9.39 H new ATOM 0 HA THR A 14 2.433 -9.932 0.181 1.00 9.63 H new ATOM 0 HB THR A 14 3.489 -11.483 -1.527 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.132 -13.381 -1.976 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.393 -13.472 -0.006 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.528 -11.967 0.935 1.00 11.66 H new ATOM 0 HG23 THR A 14 1.955 -12.786 0.787 1.00 11.66 H new ATOM 237 N LEU A 15 2.826 -8.721 -2.082 1.00 8.29 N ATOM 238 CA LEU A 15 2.882 -7.968 -3.222 1.00 9.03 C ATOM 239 C LEU A 15 4.250 -8.141 -3.880 1.00 8.59 C ATOM 240 O LEU A 15 5.253 -8.186 -3.139 1.00 7.79 O ATOM 241 CB LEU A 15 2.755 -6.500 -3.019 1.00 11.08 C ATOM 242 CG LEU A 15 1.359 -6.076 -2.541 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.431 -4.573 -2.189 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.239 -6.398 -3.500 1.00 15.27 C ATOM 0 H LEU A 15 3.605 -8.579 -1.439 1.00 8.29 H new ATOM 0 HA LEU A 15 2.038 -8.322 -3.814 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.497 -6.175 -2.289 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.983 -5.989 -3.954 1.00 11.08 H new ATOM 0 HG LEU A 15 1.098 -6.666 -1.663 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.455 -4.233 -1.844 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.168 -4.419 -1.401 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.721 -4.006 -3.073 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.709 -6.062 -3.079 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.415 -5.890 -4.448 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.201 -7.475 -3.667 1.00 15.27 H new ATOM 256 N GLU A 16 4.299 -8.264 -5.224 1.00 11.04 N ATOM 257 CA GLU A 16 5.513 -8.293 -5.966 1.00 11.50 C ATOM 258 C GLU A 16 5.745 -6.876 -6.423 1.00 10.13 C ATOM 259 O GLU A 16 5.044 -6.394 -7.273 1.00 9.83 O ATOM 260 CB GLU A 16 5.424 -9.245 -7.164 1.00 17.22 C ATOM 261 CG GLU A 16 6.742 -9.210 -8.029 1.00 23.33 C ATOM 262 CD GLU A 16 8.086 -9.266 -7.265 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.466 -10.407 -6.899 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.858 -8.260 -7.092 1.00 28.90 O ATOM 0 H GLU A 16 3.465 -8.345 -5.805 1.00 11.04 H new ATOM 0 HA GLU A 16 6.336 -8.662 -5.354 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.246 -10.261 -6.811 1.00 17.22 H new ATOM 0 HB3 GLU A 16 4.572 -8.970 -7.786 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.713 -10.049 -8.725 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.730 -8.299 -8.627 1.00 23.33 H new ATOM 271 N VAL A 17 6.754 -6.155 -5.889 1.00 8.99 N ATOM 272 CA VAL A 17 7.060 -4.737 -6.219 1.00 8.85 C ATOM 273 C VAL A 17 8.561 -4.498 -6.495 1.00 8.04 C ATOM 274 O VAL A 17 9.369 -5.394 -6.291 1.00 8.99 O ATOM 275 CB VAL A 17 6.558 -3.765 -5.106 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.996 -3.782 -5.204 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.166 -4.151 -3.713 1.00 10.54 C ATOM 0 H VAL A 17 7.396 -6.547 -5.200 1.00 8.99 H new ATOM 0 HA VAL A 17 6.519 -4.523 -7.141 1.00 8.85 H new ATOM 0 HB VAL A 17 6.895 -2.737 -5.237 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.577 -3.118 -4.448 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.690 -3.444 -6.194 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.632 -4.796 -5.039 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.802 -3.460 -2.953 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.866 -5.166 -3.454 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.253 -4.096 -3.763 1.00 10.54 H new ATOM 287 N GLU A 18 8.972 -3.289 -6.952 1.00 7.29 N ATOM 288 CA GLU A 18 10.375 -2.892 -6.959 1.00 7.08 C ATOM 289 C GLU A 18 10.481 -1.699 -5.979 1.00 6.45 C ATOM 290 O GLU A 18 9.536 -1.043 -5.719 1.00 5.28 O ATOM 291 CB GLU A 18 10.799 -2.474 -8.392 1.00 10.28 C ATOM 292 CG GLU A 18 10.745 -3.513 -9.455 1.00 12.65 C ATOM 293 CD GLU A 18 11.487 -4.838 -9.106 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.679 -4.797 -8.627 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.911 -5.900 -9.369 1.00 18.17 O ATOM 0 H GLU A 18 8.338 -2.580 -7.319 1.00 7.29 H new ATOM 0 HA GLU A 18 11.033 -3.707 -6.656 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.165 -1.643 -8.701 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.820 -2.095 -8.344 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.701 -3.742 -9.668 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.174 -3.102 -10.369 1.00 12.65 H new ATOM 302 N PRO A 19 11.665 -1.389 -5.364 1.00 7.24 N ATOM 303 CA PRO A 19 11.804 -0.221 -4.512 1.00 7.07 C ATOM 304 C PRO A 19 11.621 1.124 -5.289 1.00 6.65 C ATOM 305 O PRO A 19 11.568 2.144 -4.601 1.00 6.37 O ATOM 306 CB PRO A 19 13.276 -0.349 -3.960 1.00 7.61 C ATOM 307 CG PRO A 19 13.953 -1.283 -4.995 1.00 8.16 C ATOM 308 CD PRO A 19 12.900 -2.147 -5.511 1.00 7.49 C ATOM 0 HA PRO A 19 11.040 -0.194 -3.735 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.772 0.620 -3.904 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.296 -0.775 -2.957 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.412 -0.706 -5.798 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.745 -1.870 -4.530 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.080 -2.404 -6.555 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.854 -3.084 -4.955 1.00 7.49 H new ATOM 316 N SER A 20 11.586 1.106 -6.656 1.00 6.80 N ATOM 317 CA SER A 20 11.348 2.260 -7.487 1.00 6.28 C ATOM 318 C SER A 20 9.969 2.452 -7.872 1.00 8.45 C ATOM 319 O SER A 20 9.578 3.444 -8.483 1.00 7.26 O ATOM 320 CB SER A 20 12.161 2.269 -8.718 1.00 8.57 C ATOM 321 OG SER A 20 13.491 2.109 -8.387 1.00 11.13 O ATOM 0 H SER A 20 11.730 0.252 -7.194 1.00 6.80 H new ATOM 0 HA SER A 20 11.644 3.082 -6.835 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.841 1.468 -9.385 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.018 3.207 -9.255 1.00 8.57 H new ATOM 0 HG SER A 20 14.034 2.113 -9.203 1.00 11.13 H new ATOM 327 N ASP A 21 9.030 1.506 -7.516 1.00 7.50 N ATOM 328 CA ASP A 21 7.651 1.767 -7.748 1.00 7.70 C ATOM 329 C ASP A 21 7.072 2.927 -6.856 1.00 7.08 C ATOM 330 O ASP A 21 7.559 3.085 -5.717 1.00 8.11 O ATOM 331 CB ASP A 21 6.779 0.535 -7.577 1.00 11.00 C ATOM 332 CG ASP A 21 7.065 -0.462 -8.668 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.278 -0.090 -9.860 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.004 -1.684 -8.374 1.00 18.03 O ATOM 0 H ASP A 21 9.239 0.605 -7.087 1.00 7.50 H new ATOM 0 HA ASP A 21 7.617 2.085 -8.790 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.964 0.082 -6.603 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.727 0.819 -7.601 1.00 11.00 H new ATOM 339 N THR A 22 6.195 3.699 -7.417 1.00 5.37 N ATOM 340 CA THR A 22 5.425 4.648 -6.697 1.00 6.01 C ATOM 341 C THR A 22 4.185 4.012 -5.974 1.00 8.01 C ATOM 342 O THR A 22 3.704 2.966 -6.383 1.00 8.11 O ATOM 343 CB THR A 22 4.983 5.976 -7.442 1.00 8.92 C ATOM 344 OG1 THR A 22 4.152 5.662 -8.528 1.00 10.22 O ATOM 345 CG2 THR A 22 6.177 6.736 -8.008 1.00 9.65 C ATOM 0 H THR A 22 5.994 3.681 -8.417 1.00 5.37 H new ATOM 0 HA THR A 22 6.165 4.981 -5.969 1.00 6.01 H new ATOM 0 HB THR A 22 4.469 6.591 -6.703 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.418 4.797 -8.904 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.829 7.639 -8.510 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.852 7.009 -7.197 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.705 6.104 -8.722 1.00 9.65 H new ATOM 353 N ILE A 23 3.722 4.612 -4.881 1.00 8.32 N ATOM 354 CA ILE A 23 2.637 4.127 -4.046 1.00 9.92 C ATOM 355 C ILE A 23 1.340 3.904 -4.838 1.00 10.01 C ATOM 356 O ILE A 23 0.537 3.051 -4.475 1.00 8.71 O ATOM 357 CB ILE A 23 2.385 4.955 -2.846 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.658 5.360 -2.110 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.428 4.233 -1.836 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.603 4.132 -1.724 1.00 12.30 C ATOM 0 H ILE A 23 4.114 5.490 -4.541 1.00 8.32 H new ATOM 0 HA ILE A 23 2.983 3.159 -3.684 1.00 9.92 H new ATOM 0 HB ILE A 23 1.912 5.861 -3.225 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.220 6.056 -2.733 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.385 5.895 -1.201 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.267 4.872 -0.968 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.473 4.031 -2.321 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.878 3.293 -1.516 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.486 4.502 -1.204 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.060 3.446 -1.074 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.908 3.609 -2.630 1.00 12.30 H new ATOM 372 N GLU A 24 1.193 4.671 -5.941 1.00 9.54 N ATOM 373 CA GLU A 24 0.147 4.594 -6.949 1.00 11.81 C ATOM 374 C GLU A 24 0.223 3.237 -7.589 1.00 11.14 C ATOM 375 O GLU A 24 -0.801 2.535 -7.656 1.00 10.62 O ATOM 376 CB GLU A 24 0.424 5.662 -8.057 1.00 19.24 C ATOM 377 CG GLU A 24 -0.310 5.465 -9.408 1.00 27.76 C ATOM 378 CD GLU A 24 -0.009 6.578 -10.400 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.171 6.696 -10.801 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.865 7.443 -10.669 1.00 36.51 O ATOM 0 H GLU A 24 1.861 5.412 -6.153 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.828 4.766 -6.494 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.154 6.641 -7.662 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.496 5.682 -8.251 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.018 4.508 -9.841 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.385 5.421 -9.231 1.00 27.76 H new ATOM 387 N ASN A 25 1.416 2.734 -8.024 1.00 9.43 N ATOM 388 CA ASN A 25 1.638 1.431 -8.578 1.00 10.96 C ATOM 389 C ASN A 25 1.393 0.324 -7.547 1.00 9.68 C ATOM 390 O ASN A 25 0.944 -0.784 -7.819 1.00 9.33 O ATOM 391 CB ASN A 25 3.079 1.219 -9.125 1.00 16.78 C ATOM 392 CG ASN A 25 3.578 2.201 -10.176 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.606 2.893 -10.054 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.868 2.287 -11.313 1.00 24.70 N ATOM 0 H ASN A 25 2.274 3.284 -7.980 1.00 9.43 H new ATOM 0 HA ASN A 25 0.926 1.372 -9.402 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.768 1.249 -8.281 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.135 0.216 -9.547 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.174 2.912 -12.059 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.023 1.727 -11.430 1.00 24.70 H new ATOM 401 N VAL A 26 1.816 0.554 -6.248 1.00 6.52 N ATOM 402 CA VAL A 26 1.628 -0.440 -5.171 1.00 5.53 C ATOM 403 C VAL A 26 0.141 -0.699 -4.882 1.00 4.42 C ATOM 404 O VAL A 26 -0.308 -1.813 -4.767 1.00 3.40 O ATOM 405 CB VAL A 26 2.399 -0.122 -3.856 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.422 -1.404 -2.976 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.829 0.296 -4.300 1.00 8.12 C ATOM 0 H VAL A 26 2.280 1.412 -5.948 1.00 6.52 H new ATOM 0 HA VAL A 26 2.074 -1.354 -5.563 1.00 5.53 H new ATOM 0 HB VAL A 26 1.940 0.672 -3.267 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.959 -1.200 -2.050 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.400 -1.705 -2.745 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.923 -2.207 -3.516 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.428 0.535 -3.421 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.295 -0.525 -4.845 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.768 1.172 -4.946 1.00 8.12 H new ATOM 417 N LYS A 27 -0.660 0.406 -4.723 1.00 2.64 N ATOM 418 CA LYS A 27 -2.116 0.350 -4.648 1.00 4.14 C ATOM 419 C LYS A 27 -2.764 -0.309 -5.897 1.00 5.58 C ATOM 420 O LYS A 27 -3.664 -1.126 -5.757 1.00 4.11 O ATOM 421 CB LYS A 27 -2.762 1.737 -4.303 1.00 3.97 C ATOM 422 CG LYS A 27 -2.349 2.376 -2.945 1.00 7.45 C ATOM 423 CD LYS A 27 -3.295 3.639 -2.703 1.00 9.02 C ATOM 424 CE LYS A 27 -3.091 4.733 -3.721 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.873 5.919 -3.418 1.00 15.47 N ATOM 0 H LYS A 27 -0.287 1.352 -4.646 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.339 -0.309 -3.809 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.512 2.438 -5.100 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.846 1.620 -4.310 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.456 1.656 -2.134 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.302 2.679 -2.966 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.336 3.316 -2.728 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.110 4.039 -1.706 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.034 4.997 -3.761 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.364 4.363 -4.709 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.385 6.760 -3.787 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.810 5.840 -3.862 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.985 6.007 -2.388 1.00 15.47 H new ATOM 439 N ALA A 28 -2.195 -0.059 -7.093 1.00 6.61 N ATOM 440 CA ALA A 28 -2.608 -0.778 -8.265 1.00 7.74 C ATOM 441 C ALA A 28 -2.390 -2.326 -8.205 1.00 9.17 C ATOM 442 O ALA A 28 -3.284 -3.109 -8.501 1.00 11.45 O ATOM 443 CB ALA A 28 -1.931 -0.261 -9.519 1.00 7.68 C ATOM 0 H ALA A 28 -1.460 0.630 -7.249 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.682 -0.596 -8.299 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.274 -0.834 -10.380 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.181 0.790 -9.660 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.851 -0.367 -9.419 1.00 7.68 H new ATOM 449 N LYS A 29 -1.283 -2.781 -7.632 1.00 8.96 N ATOM 450 CA LYS A 29 -0.954 -4.151 -7.404 1.00 7.90 C ATOM 451 C LYS A 29 -1.881 -4.810 -6.414 1.00 6.92 C ATOM 452 O LYS A 29 -2.231 -5.995 -6.550 1.00 6.87 O ATOM 453 CB LYS A 29 0.506 -4.199 -7.008 1.00 10.28 C ATOM 454 CG LYS A 29 1.289 -5.515 -7.233 1.00 14.94 C ATOM 455 CD LYS A 29 1.285 -6.002 -8.666 1.00 19.69 C ATOM 456 CE LYS A 29 2.380 -7.016 -9.108 1.00 22.63 C ATOM 457 NZ LYS A 29 2.470 -7.167 -10.503 1.00 24.98 N ATOM 0 H LYS A 29 -0.555 -2.149 -7.299 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.097 -4.738 -8.311 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.023 -3.408 -7.552 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.570 -3.952 -5.948 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.321 -5.370 -6.913 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.864 -6.291 -6.596 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.314 -6.458 -8.859 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.361 -5.128 -9.313 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.345 -6.688 -8.722 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.170 -7.986 -8.658 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.216 -7.855 -10.730 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.560 -7.508 -10.875 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.700 -6.250 -10.937 1.00 24.98 H new ATOM 471 N ILE A 30 -2.396 -4.084 -5.436 1.00 4.57 N ATOM 472 CA ILE A 30 -3.465 -4.483 -4.559 1.00 5.58 C ATOM 473 C ILE A 30 -4.777 -4.717 -5.373 1.00 7.26 C ATOM 474 O ILE A 30 -5.431 -5.747 -5.263 1.00 9.46 O ATOM 475 CB ILE A 30 -3.735 -3.592 -3.337 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.474 -3.576 -2.399 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.008 -4.020 -2.606 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.638 -2.906 -1.007 1.00 2.00 C ATOM 0 H ILE A 30 -2.053 -3.146 -5.227 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.106 -5.413 -4.118 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.910 -2.570 -3.673 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.155 -4.606 -2.243 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.666 -3.068 -2.926 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.170 -3.369 -1.747 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.859 -3.946 -3.283 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.904 -5.050 -2.266 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.696 -2.963 -0.462 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.919 -1.861 -1.137 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.415 -3.423 -0.444 1.00 2.00 H new ATOM 490 N GLN A 31 -5.099 -3.824 -6.341 1.00 7.06 N ATOM 491 CA GLN A 31 -6.337 -3.962 -7.136 1.00 8.67 C ATOM 492 C GLN A 31 -6.398 -5.284 -7.947 1.00 10.90 C ATOM 493 O GLN A 31 -7.430 -5.975 -7.960 1.00 9.63 O ATOM 494 CB GLN A 31 -6.294 -2.700 -8.062 1.00 9.12 C ATOM 495 CG GLN A 31 -7.566 -2.398 -8.816 1.00 10.76 C ATOM 496 CD GLN A 31 -7.287 -1.417 -9.946 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.117 -1.120 -10.239 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.366 -1.005 -10.660 1.00 14.76 N ATOM 0 H GLN A 31 -4.528 -3.015 -6.585 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.230 -4.013 -6.513 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.040 -1.833 -7.452 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.487 -2.829 -8.784 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.985 -3.319 -9.220 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.309 -1.980 -8.137 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.304 -1.281 -10.371 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.238 -0.420 -11.485 1.00 14.76 H new ATOM 507 N ASP A 32 -5.288 -5.670 -8.572 1.00 10.93 N ATOM 508 CA ASP A 32 -4.996 -6.931 -9.250 1.00 14.01 C ATOM 509 C ASP A 32 -5.128 -8.135 -8.453 1.00 14.04 C ATOM 510 O ASP A 32 -5.504 -9.184 -8.943 1.00 13.39 O ATOM 511 CB ASP A 32 -3.539 -6.741 -9.770 1.00 18.01 C ATOM 512 CG ASP A 32 -3.089 -7.884 -10.695 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.748 -8.023 -11.776 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.196 -8.681 -10.335 1.00 26.29 O ATOM 0 H ASP A 32 -4.487 -5.041 -8.621 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.735 -7.108 -10.031 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.469 -5.795 -10.307 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.859 -6.677 -8.920 1.00 18.01 H new ATOM 519 N LYS A 33 -4.760 -8.101 -7.169 1.00 14.22 N ATOM 520 CA LYS A 33 -4.883 -9.271 -6.357 1.00 14.00 C ATOM 521 C LYS A 33 -6.188 -9.332 -5.558 1.00 12.37 C ATOM 522 O LYS A 33 -6.873 -10.350 -5.478 1.00 12.17 O ATOM 523 CB LYS A 33 -3.670 -9.278 -5.332 1.00 18.62 C ATOM 524 CG LYS A 33 -3.748 -10.520 -4.384 1.00 24.00 C ATOM 525 CD LYS A 33 -2.465 -10.713 -3.598 1.00 27.61 C ATOM 526 CE LYS A 33 -1.420 -11.455 -4.480 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.341 -11.983 -3.572 1.00 30.06 N ATOM 0 H LYS A 33 -4.383 -7.281 -6.694 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.880 -10.133 -7.024 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.727 -9.291 -5.878 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.683 -8.363 -4.741 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.582 -10.398 -3.693 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.951 -11.414 -4.973 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.070 -9.747 -3.284 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.664 -11.286 -2.692 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.892 -12.271 -5.026 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.997 -10.778 -5.222 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.228 -12.688 -4.082 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.271 -11.199 -3.268 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.776 -12.427 -2.738 1.00 30.06 H new ATOM 541 N GLU A 34 -6.637 -8.233 -4.952 1.00 10.11 N ATOM 542 CA GLU A 34 -7.772 -8.160 -4.047 1.00 10.07 C ATOM 543 C GLU A 34 -9.011 -7.549 -4.553 1.00 9.32 C ATOM 544 O GLU A 34 -10.029 -7.613 -3.889 1.00 11.61 O ATOM 545 CB GLU A 34 -7.375 -7.305 -2.808 1.00 14.77 C ATOM 546 CG GLU A 34 -6.310 -7.947 -1.974 1.00 18.75 C ATOM 547 CD GLU A 34 -6.909 -9.247 -1.362 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.797 -9.084 -0.471 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.597 -10.359 -1.735 1.00 21.95 O ATOM 0 H GLU A 34 -6.192 -7.325 -5.090 1.00 10.11 H new ATOM 0 HA GLU A 34 -7.994 -9.209 -3.851 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.027 -6.328 -3.143 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.258 -7.135 -2.192 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.435 -8.178 -2.582 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.981 -7.270 -1.186 1.00 18.75 H new ATOM 556 N GLY A 35 -8.942 -6.908 -5.713 1.00 7.22 N ATOM 557 CA GLY A 35 -10.069 -6.320 -6.380 1.00 6.29 C ATOM 558 C GLY A 35 -10.485 -5.001 -5.827 1.00 6.93 C ATOM 559 O GLY A 35 -11.561 -4.519 -6.201 1.00 7.41 O ATOM 0 H GLY A 35 -8.066 -6.786 -6.222 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.829 -6.199 -7.436 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.912 -7.008 -6.321 1.00 6.29 H new ATOM 563 N ILE A 36 -9.699 -4.389 -4.890 1.00 5.86 N ATOM 564 CA ILE A 36 -10.016 -3.104 -4.323 1.00 6.07 C ATOM 565 C ILE A 36 -9.562 -1.959 -5.285 1.00 6.36 C ATOM 566 O ILE A 36 -8.394 -1.971 -5.578 1.00 6.18 O ATOM 567 CB ILE A 36 -9.362 -2.982 -2.979 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.537 -4.177 -2.011 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.704 -1.618 -2.391 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.538 -4.132 -0.817 1.00 9.49 C ATOM 0 H ILE A 36 -8.837 -4.798 -4.529 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.095 -3.015 -4.194 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.285 -3.040 -3.139 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.557 -4.182 -1.627 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.399 -5.108 -2.561 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.235 -1.515 -1.413 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.337 -0.834 -3.053 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.785 -1.528 -2.286 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.705 -4.993 -0.170 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.516 -4.156 -1.196 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.692 -3.215 -0.248 1.00 9.49 H new ATOM 582 N PRO A 37 -10.370 -0.979 -5.705 1.00 8.65 N ATOM 583 CA PRO A 37 -9.972 0.212 -6.515 1.00 9.18 C ATOM 584 C PRO A 37 -8.966 1.062 -5.746 1.00 9.85 C ATOM 585 O PRO A 37 -9.140 1.329 -4.537 1.00 8.51 O ATOM 586 CB PRO A 37 -11.310 0.985 -6.800 1.00 11.42 C ATOM 587 CG PRO A 37 -12.416 -0.064 -6.712 1.00 9.27 C ATOM 588 CD PRO A 37 -11.836 -1.105 -5.687 1.00 8.33 C ATOM 0 HA PRO A 37 -9.478 -0.060 -7.448 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.466 1.781 -6.072 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.291 1.453 -7.784 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.354 0.367 -6.362 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.617 -0.521 -7.681 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.224 -0.914 -4.687 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.137 -2.117 -5.958 1.00 8.33 H new ATOM 596 N PRO A 38 -7.861 1.640 -6.303 1.00 8.71 N ATOM 597 CA PRO A 38 -6.879 2.410 -5.510 1.00 9.08 C ATOM 598 C PRO A 38 -7.427 3.639 -4.759 1.00 9.28 C ATOM 599 O PRO A 38 -6.857 4.214 -3.829 1.00 6.50 O ATOM 600 CB PRO A 38 -5.711 2.732 -6.449 1.00 10.31 C ATOM 601 CG PRO A 38 -5.770 1.571 -7.427 1.00 10.81 C ATOM 602 CD PRO A 38 -7.273 1.331 -7.588 1.00 12.00 C ATOM 0 HA PRO A 38 -6.553 1.794 -4.672 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.840 3.693 -6.947 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.759 2.772 -5.919 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.297 1.820 -8.377 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.260 0.690 -7.038 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.689 1.965 -8.371 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.476 0.299 -7.873 1.00 12.00 H new ATOM 610 N ASP A 39 -8.563 4.172 -5.149 1.00 11.20 N ATOM 611 CA ASP A 39 -9.272 5.286 -4.523 1.00 14.96 C ATOM 612 C ASP A 39 -9.914 4.925 -3.191 1.00 13.99 C ATOM 613 O ASP A 39 -10.130 5.698 -2.279 1.00 13.75 O ATOM 614 CB ASP A 39 -10.366 5.867 -5.455 1.00 24.16 C ATOM 615 CG ASP A 39 -9.822 6.272 -6.810 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.859 7.041 -6.833 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.314 5.760 -7.850 1.00 35.55 O ATOM 0 H ASP A 39 -9.058 3.820 -5.969 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.502 6.035 -4.338 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.154 5.126 -5.591 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.823 6.734 -4.977 1.00 24.16 H new ATOM 622 N GLN A 40 -10.133 3.557 -2.971 1.00 11.60 N ATOM 623 CA GLN A 40 -10.798 3.078 -1.779 1.00 10.76 C ATOM 624 C GLN A 40 -9.662 2.736 -0.818 1.00 8.01 C ATOM 625 O GLN A 40 -10.010 2.341 0.316 1.00 8.96 O ATOM 626 CB GLN A 40 -11.650 1.836 -2.036 1.00 11.14 C ATOM 627 CG GLN A 40 -12.980 2.268 -2.806 1.00 14.85 C ATOM 628 CD GLN A 40 -14.047 1.173 -2.785 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.986 0.273 -1.990 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.962 1.283 -3.758 1.00 18.16 N ATOM 0 H GLN A 40 -9.847 2.823 -3.618 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.486 3.830 -1.393 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.091 1.112 -2.628 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.902 1.350 -1.093 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.383 3.173 -2.351 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.735 2.513 -3.839 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.940 2.083 -4.391 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.680 0.567 -3.866 1.00 18.16 H new ATOM 639 N GLN A 41 -8.343 2.826 -1.185 1.00 6.52 N ATOM 640 CA GLN A 41 -7.183 2.402 -0.456 1.00 3.87 C ATOM 641 C GLN A 41 -6.404 3.516 0.132 1.00 4.79 C ATOM 642 O GLN A 41 -6.040 4.463 -0.549 1.00 6.34 O ATOM 643 CB GLN A 41 -6.211 1.595 -1.288 1.00 4.20 C ATOM 644 CG GLN A 41 -6.867 0.291 -1.900 1.00 3.20 C ATOM 645 CD GLN A 41 -5.837 -0.329 -2.885 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.628 -0.329 -2.562 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.217 -0.779 -4.100 1.00 7.13 N ATOM 0 H GLN A 41 -8.084 3.238 -2.081 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.613 1.787 0.335 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.827 2.217 -2.096 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.358 1.312 -0.671 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.119 -0.418 -1.112 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.795 0.535 -2.418 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.204 -0.777 -4.359 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.517 -1.121 -4.759 1.00 7.13 H new ATOM 656 N ARG A 42 -6.140 3.384 1.433 1.00 5.73 N ATOM 657 CA ARG A 42 -5.356 4.298 2.181 1.00 6.97 C ATOM 658 C ARG A 42 -4.299 3.494 2.977 1.00 7.15 C ATOM 659 O ARG A 42 -4.525 3.035 4.097 1.00 7.33 O ATOM 660 CB ARG A 42 -6.183 5.190 3.145 1.00 13.23 C ATOM 661 CG ARG A 42 -6.997 6.299 2.403 1.00 21.27 C ATOM 662 CD ARG A 42 -7.712 7.094 3.510 1.00 26.14 C ATOM 663 NE ARG A 42 -8.194 8.396 2.882 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.002 9.348 3.450 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.337 9.382 4.739 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.468 10.274 2.634 1.00 36.39 N ATOM 0 H ARG A 42 -6.489 2.604 1.990 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.887 4.983 1.475 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.869 4.562 3.713 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.511 5.659 3.863 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.340 6.943 1.819 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.714 5.861 1.709 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.551 6.526 3.912 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.035 7.294 4.340 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.880 8.581 1.929 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.987 8.667 5.376 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.944 10.123 5.089 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.222 10.253 1.644 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.075 11.011 2.993 1.00 36.39 H new ATOM 680 N LEU A 43 -3.096 3.476 2.493 1.00 4.65 N ATOM 681 CA LEU A 43 -2.060 2.665 3.068 1.00 3.51 C ATOM 682 C LEU A 43 -1.269 3.362 4.170 1.00 5.56 C ATOM 683 O LEU A 43 -0.931 4.522 4.121 1.00 4.19 O ATOM 684 CB LEU A 43 -1.137 2.026 2.076 1.00 3.74 C ATOM 685 CG LEU A 43 -1.793 1.353 0.860 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.694 0.803 -0.020 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.641 0.100 1.357 1.00 6.41 C ATOM 0 H LEU A 43 -2.800 4.024 1.685 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.623 1.854 3.531 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.447 2.788 1.713 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.540 1.278 2.598 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.420 2.073 0.334 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.134 0.319 -0.892 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.046 1.617 -0.345 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.108 0.075 0.542 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.111 -0.384 0.501 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.983 -0.609 1.859 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.411 0.434 2.052 1.00 6.41 H new ATOM 699 N ILE A 44 -0.960 2.569 5.238 1.00 4.58 N ATOM 700 CA ILE A 44 -0.240 3.084 6.414 1.00 5.55 C ATOM 701 C ILE A 44 0.902 2.184 6.720 1.00 5.46 C ATOM 702 O ILE A 44 0.806 0.963 6.875 1.00 6.04 O ATOM 703 CB ILE A 44 -1.074 3.141 7.744 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.317 4.122 7.539 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.205 3.634 8.912 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.359 4.151 8.715 1.00 13.90 C ATOM 0 H ILE A 44 -1.202 1.580 5.297 1.00 4.58 H new ATOM 0 HA ILE A 44 0.038 4.100 6.134 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.428 2.139 7.984 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.938 5.133 7.388 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.836 3.836 6.624 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.803 3.666 9.823 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.635 2.954 9.053 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.170 4.633 8.690 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.161 4.848 8.473 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.776 3.154 8.857 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.864 4.471 9.632 1.00 13.90 H new ATOM 718 N PHE A 45 2.107 2.796 6.923 1.00 6.75 N ATOM 719 CA PHE A 45 3.340 2.242 7.374 1.00 4.70 C ATOM 720 C PHE A 45 4.058 3.338 8.079 1.00 6.34 C ATOM 721 O PHE A 45 3.936 4.492 7.754 1.00 5.45 O ATOM 722 CB PHE A 45 4.147 1.812 6.167 1.00 5.51 C ATOM 723 CG PHE A 45 5.498 1.152 6.467 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.624 -0.236 6.747 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.650 1.903 6.546 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.869 -0.795 7.024 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.914 1.312 6.751 1.00 6.64 C ATOM 728 CZ PHE A 45 8.050 -0.038 7.092 1.00 6.84 C ATOM 0 H PHE A 45 2.206 3.795 6.744 1.00 6.75 H new ATOM 0 HA PHE A 45 3.187 1.383 8.027 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.546 1.116 5.581 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.323 2.687 5.541 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.745 -0.864 6.745 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.583 2.976 6.448 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.929 -1.860 7.194 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.801 1.918 6.642 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.996 -0.468 7.387 1.00 6.84 H new ATOM 738 N ALA A 46 4.739 3.002 9.162 1.00 6.53 N ATOM 739 CA ALA A 46 5.405 3.818 10.074 1.00 7.15 C ATOM 740 C ALA A 46 4.617 5.055 10.596 1.00 9.00 C ATOM 741 O ALA A 46 5.188 6.120 10.708 1.00 11.15 O ATOM 742 CB ALA A 46 6.751 4.334 9.513 1.00 8.99 C ATOM 0 H ALA A 46 4.828 2.020 9.424 1.00 6.53 H new ATOM 0 HA ALA A 46 5.546 3.145 10.920 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.237 4.966 10.256 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.396 3.487 9.279 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.570 4.913 8.607 1.00 8.99 H new ATOM 748 N GLY A 47 3.314 4.895 10.832 1.00 9.35 N ATOM 749 CA GLY A 47 2.507 5.919 11.435 1.00 11.68 C ATOM 750 C GLY A 47 2.197 7.156 10.485 1.00 11.14 C ATOM 751 O GLY A 47 1.650 8.164 10.920 1.00 13.93 O ATOM 0 H GLY A 47 2.801 4.043 10.604 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.563 5.478 11.757 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.011 6.282 12.331 1.00 11.68 H new ATOM 755 N LYS A 48 2.373 7.001 9.142 1.00 10.47 N ATOM 756 CA LYS A 48 1.807 8.009 8.283 1.00 8.82 C ATOM 757 C LYS A 48 1.167 7.346 7.024 1.00 7.68 C ATOM 758 O LYS A 48 1.448 6.204 6.663 1.00 6.47 O ATOM 759 CB LYS A 48 2.866 8.924 7.744 1.00 9.74 C ATOM 760 CG LYS A 48 3.982 8.311 6.944 1.00 14.14 C ATOM 761 CD LYS A 48 5.317 8.558 7.672 1.00 16.32 C ATOM 762 CE LYS A 48 6.520 7.799 7.108 1.00 20.04 C ATOM 763 NZ LYS A 48 7.728 8.272 7.707 1.00 23.92 N ATOM 0 H LYS A 48 2.869 6.237 8.683 1.00 10.47 H new ATOM 0 HA LYS A 48 1.079 8.553 8.885 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.377 9.671 7.119 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.310 9.455 8.586 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.813 7.241 6.821 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.012 8.746 5.945 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.536 9.625 7.643 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.196 8.286 8.721 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.406 6.731 7.296 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.567 7.929 6.027 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.537 7.749 7.316 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.841 9.286 7.506 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.686 8.126 8.736 1.00 23.92 H new ATOM 777 N GLN A 49 0.199 8.069 6.425 1.00 8.89 N ATOM 778 CA GLN A 49 -0.371 7.651 5.186 1.00 7.18 C ATOM 779 C GLN A 49 0.725 7.815 4.065 1.00 8.23 C ATOM 780 O GLN A 49 1.333 8.883 3.858 1.00 9.70 O ATOM 781 CB GLN A 49 -1.627 8.473 4.758 1.00 11.67 C ATOM 782 CG GLN A 49 -2.739 7.617 4.106 1.00 15.82 C ATOM 783 CD GLN A 49 -4.000 8.448 3.824 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.786 8.627 4.700 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.087 9.022 2.577 1.00 20.67 N ATOM 0 H GLN A 49 -0.184 8.937 6.799 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.695 6.619 5.317 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.036 8.977 5.634 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.320 9.249 4.057 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.370 7.188 3.175 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.991 6.784 4.763 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.376 8.823 1.873 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.863 9.646 2.356 1.00 20.67 H new ATOM 794 N LEU A 50 0.768 6.764 3.285 1.00 6.51 N ATOM 795 CA LEU A 50 1.650 6.659 2.129 1.00 7.41 C ATOM 796 C LEU A 50 1.031 7.307 0.884 1.00 8.27 C ATOM 797 O LEU A 50 -0.079 7.097 0.492 1.00 8.34 O ATOM 798 CB LEU A 50 2.087 5.227 1.871 1.00 7.13 C ATOM 799 CG LEU A 50 2.659 4.487 3.038 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.985 3.080 2.570 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.809 5.148 3.780 1.00 9.11 C ATOM 0 H LEU A 50 0.185 5.939 3.430 1.00 6.51 H new ATOM 0 HA LEU A 50 2.554 7.221 2.365 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.227 4.669 1.500 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.830 5.235 1.074 1.00 7.13 H new ATOM 0 HG LEU A 50 1.896 4.483 3.816 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.406 2.509 3.398 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.075 2.593 2.219 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.709 3.126 1.756 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.128 4.507 4.602 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.643 5.303 3.095 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.482 6.109 4.176 1.00 9.11 H new ATOM 813 N GLU A 51 1.836 8.235 0.362 1.00 9.43 N ATOM 814 CA GLU A 51 1.457 9.188 -0.682 1.00 11.90 C ATOM 815 C GLU A 51 1.842 8.822 -2.143 1.00 11.49 C ATOM 816 O GLU A 51 2.949 8.439 -2.435 1.00 9.88 O ATOM 817 CB GLU A 51 1.958 10.654 -0.327 1.00 16.56 C ATOM 818 CG GLU A 51 1.604 11.644 -1.386 1.00 26.06 C ATOM 819 CD GLU A 51 2.153 13.043 -0.998 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.678 13.618 0.017 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.058 13.566 -1.691 1.00 33.44 O ATOM 0 H GLU A 51 2.803 8.347 0.666 1.00 9.43 H new ATOM 0 HA GLU A 51 0.368 9.141 -0.678 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.519 10.966 0.621 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.039 10.643 -0.189 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.021 11.332 -2.343 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.522 11.688 -1.509 1.00 26.06 H new ATOM 828 N ASP A 52 0.788 8.817 -2.948 1.00 12.71 N ATOM 829 CA ASP A 52 0.685 8.314 -4.327 1.00 16.56 C ATOM 830 C ASP A 52 1.878 8.420 -5.237 1.00 15.83 C ATOM 831 O ASP A 52 2.323 7.413 -5.798 1.00 17.21 O ATOM 832 CB ASP A 52 -0.527 8.961 -5.064 1.00 21.05 C ATOM 833 CG ASP A 52 -1.812 8.804 -4.283 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.933 9.513 -3.280 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.709 7.994 -4.685 1.00 25.82 O ATOM 0 H ASP A 52 -0.103 9.198 -2.630 1.00 12.71 H new ATOM 0 HA ASP A 52 0.574 7.245 -4.145 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.329 10.020 -5.228 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.641 8.503 -6.046 1.00 21.05 H new ATOM 840 N GLY A 53 2.518 9.616 -5.344 1.00 15.00 N ATOM 841 CA GLY A 53 3.623 9.819 -6.300 1.00 11.77 C ATOM 842 C GLY A 53 4.981 9.674 -5.630 1.00 11.10 C ATOM 843 O GLY A 53 6.063 9.702 -6.309 1.00 11.25 O ATOM 0 H GLY A 53 2.287 10.438 -4.786 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.539 9.097 -7.112 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.541 10.810 -6.746 1.00 11.77 H new ATOM 847 N ARG A 54 5.088 9.409 -4.329 1.00 8.53 N ATOM 848 CA ARG A 54 6.337 9.036 -3.627 1.00 9.05 C ATOM 849 C ARG A 54 6.754 7.561 -3.797 1.00 8.96 C ATOM 850 O ARG A 54 6.000 6.749 -4.354 1.00 11.60 O ATOM 851 CB ARG A 54 6.396 9.490 -2.131 1.00 7.97 C ATOM 852 CG ARG A 54 5.803 10.873 -1.880 1.00 9.62 C ATOM 853 CD ARG A 54 6.135 11.351 -0.424 1.00 12.20 C ATOM 854 NE ARG A 54 5.304 12.571 -0.240 1.00 18.23 N ATOM 855 CZ ARG A 54 5.499 13.548 0.597 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.638 13.591 1.302 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.671 14.591 0.737 1.00 23.38 N ATOM 0 H ARG A 54 4.284 9.447 -3.703 1.00 8.53 H new ATOM 0 HA ARG A 54 7.093 9.621 -4.152 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.864 8.761 -1.519 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.435 9.486 -1.801 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.202 11.584 -2.603 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.723 10.845 -2.023 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.887 10.586 0.312 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.196 11.572 -0.310 1.00 12.20 H new ATOM 0 HE ARG A 54 4.484 12.651 -0.841 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.341 12.863 1.180 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.801 14.352 1.961 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.827 14.652 0.167 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.884 15.324 1.414 1.00 23.38 H new ATOM 871 N THR A 55 8.061 7.186 -3.498 1.00 9.05 N ATOM 872 CA THR A 55 8.518 5.774 -3.781 1.00 9.03 C ATOM 873 C THR A 55 8.700 5.005 -2.520 1.00 8.15 C ATOM 874 O THR A 55 8.917 5.579 -1.473 1.00 5.91 O ATOM 875 CB THR A 55 9.777 5.659 -4.646 1.00 11.15 C ATOM 876 OG1 THR A 55 11.029 6.004 -4.027 1.00 11.95 O ATOM 877 CG2 THR A 55 9.629 6.317 -6.042 1.00 11.71 C ATOM 0 H THR A 55 8.766 7.800 -3.090 1.00 9.05 H new ATOM 0 HA THR A 55 7.710 5.343 -4.372 1.00 9.03 H new ATOM 0 HB THR A 55 9.846 4.580 -4.784 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.177 6.970 -4.104 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.557 6.198 -6.601 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.815 5.838 -6.586 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.411 7.378 -5.923 1.00 11.71 H new ATOM 885 N LEU A 56 8.604 3.648 -2.518 1.00 6.91 N ATOM 886 CA LEU A 56 8.921 2.675 -1.504 1.00 8.29 C ATOM 887 C LEU A 56 10.316 2.951 -0.885 1.00 8.05 C ATOM 888 O LEU A 56 10.541 2.940 0.315 1.00 10.17 O ATOM 889 CB LEU A 56 8.867 1.240 -1.938 1.00 6.60 C ATOM 890 CG LEU A 56 7.504 0.531 -2.148 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.726 -0.861 -2.784 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.637 0.416 -0.916 1.00 8.64 C ATOM 0 H LEU A 56 8.253 3.177 -3.352 1.00 6.91 H new ATOM 0 HA LEU A 56 8.126 2.803 -0.770 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.415 1.167 -2.877 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.421 0.660 -1.200 1.00 6.60 H new ATOM 0 HG LEU A 56 6.944 1.179 -2.822 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.764 -1.353 -2.928 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.223 -0.746 -3.747 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.348 -1.467 -2.125 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.708 -0.095 -1.171 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.166 -0.153 -0.151 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.411 1.412 -0.536 1.00 8.64 H new ATOM 904 N SER A 57 11.376 3.225 -1.688 1.00 8.92 N ATOM 905 CA SER A 57 12.690 3.484 -1.165 1.00 9.00 C ATOM 906 C SER A 57 12.853 4.837 -0.463 1.00 9.44 C ATOM 907 O SER A 57 13.666 4.933 0.469 1.00 10.91 O ATOM 908 CB SER A 57 13.740 3.366 -2.247 1.00 10.32 C ATOM 909 OG SER A 57 13.391 4.220 -3.333 1.00 13.59 O ATOM 0 H SER A 57 11.317 3.266 -2.705 1.00 8.92 H new ATOM 0 HA SER A 57 12.829 2.718 -0.402 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.718 3.641 -1.853 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.812 2.334 -2.589 1.00 10.32 H new ATOM 0 HG SER A 57 12.795 3.742 -3.947 1.00 13.59 H new ATOM 915 N ASP A 58 12.071 5.884 -0.706 1.00 9.11 N ATOM 916 CA ASP A 58 12.076 7.187 -0.112 1.00 7.91 C ATOM 917 C ASP A 58 11.467 7.209 1.248 1.00 9.12 C ATOM 918 O ASP A 58 11.713 8.067 2.104 1.00 8.61 O ATOM 919 CB ASP A 58 11.249 8.158 -0.953 1.00 8.41 C ATOM 920 CG ASP A 58 11.926 8.493 -2.305 1.00 11.50 C ATOM 921 OD1 ASP A 58 13.134 8.886 -2.309 1.00 10.05 O ATOM 922 OD2 ASP A 58 11.296 8.407 -3.385 1.00 11.70 O ATOM 0 H ASP A 58 11.337 5.815 -1.410 1.00 9.11 H new ATOM 0 HA ASP A 58 13.126 7.473 -0.054 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.266 7.726 -1.139 1.00 8.41 H new ATOM 0 HB3 ASP A 58 11.092 9.078 -0.391 1.00 8.41 H new ATOM 927 N TYR A 59 10.763 6.133 1.553 1.00 7.97 N ATOM 928 CA TYR A 59 10.187 5.776 2.862 1.00 8.45 C ATOM 929 C TYR A 59 10.984 4.647 3.548 1.00 10.98 C ATOM 930 O TYR A 59 10.557 4.161 4.633 1.00 12.95 O ATOM 931 CB TYR A 59 8.725 5.319 2.664 1.00 7.94 C ATOM 932 CG TYR A 59 7.752 6.433 2.171 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.424 7.468 3.127 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.915 6.250 1.075 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.427 8.397 2.844 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.832 7.141 0.889 1.00 6.52 C ATOM 937 CZ TYR A 59 5.584 8.214 1.743 1.00 6.76 C ATOM 938 OH TYR A 59 4.449 9.067 1.519 1.00 7.63 O ATOM 0 H TYR A 59 10.557 5.426 0.848 1.00 7.97 H new ATOM 0 HA TYR A 59 10.231 6.657 3.503 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.710 4.499 1.946 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.352 4.923 3.608 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.956 7.520 4.066 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.089 5.443 0.379 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.304 9.263 3.477 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.170 6.983 0.050 1.00 6.52 H new ATOM 0 HH TYR A 59 4.527 9.868 2.078 1.00 7.63 H new ATOM 948 N ASN A 60 12.135 4.254 2.979 1.00 12.38 N ATOM 949 CA ASN A 60 13.045 3.178 3.474 1.00 13.94 C ATOM 950 C ASN A 60 12.358 1.790 3.581 1.00 14.16 C ATOM 951 O ASN A 60 12.624 0.973 4.487 1.00 14.26 O ATOM 952 CB ASN A 60 13.852 3.567 4.693 1.00 19.23 C ATOM 953 CG ASN A 60 14.663 4.816 4.406 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.538 5.807 5.101 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.619 4.843 3.384 1.00 24.09 N ATOM 0 H ASN A 60 12.483 4.689 2.124 1.00 12.38 H new ATOM 0 HA ASN A 60 13.793 3.058 2.690 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.186 3.743 5.538 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.516 2.750 4.975 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.187 5.678 3.239 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.748 4.028 2.784 1.00 24.09 H new ATOM 962 N ILE A 61 11.486 1.447 2.611 1.00 11.08 N ATOM 963 CA ILE A 61 10.707 0.184 2.718 1.00 11.78 C ATOM 964 C ILE A 61 11.453 -0.944 1.902 1.00 13.74 C ATOM 965 O ILE A 61 11.912 -0.810 0.795 1.00 14.60 O ATOM 966 CB ILE A 61 9.314 0.394 2.253 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.520 1.411 3.124 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.470 -0.932 2.161 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.199 1.977 2.612 1.00 11.42 C ATOM 0 H ILE A 61 11.303 1.999 1.773 1.00 11.08 H new ATOM 0 HA ILE A 61 10.641 -0.135 3.758 1.00 11.78 H new ATOM 0 HB ILE A 61 9.446 0.801 1.250 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.319 0.932 4.082 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.181 2.255 3.322 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.463 -0.699 1.814 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.946 -1.618 1.460 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.416 -1.398 3.145 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.789 2.667 3.349 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.369 2.506 1.674 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.494 1.162 2.446 1.00 11.42 H new ATOM 981 N GLN A 62 11.649 -2.154 2.494 1.00 13.97 N ATOM 982 CA GLN A 62 12.517 -3.195 2.010 1.00 15.52 C ATOM 983 C GLN A 62 11.748 -4.485 2.173 1.00 13.94 C ATOM 984 O GLN A 62 10.671 -4.554 2.773 1.00 12.15 O ATOM 985 CB GLN A 62 13.776 -3.261 2.855 1.00 19.53 C ATOM 986 CG GLN A 62 14.856 -2.149 2.793 1.00 26.38 C ATOM 987 CD GLN A 62 15.572 -2.060 1.424 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.712 -2.499 1.342 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.964 -1.433 0.420 1.00 32.71 N ATOM 0 H GLN A 62 11.173 -2.414 3.358 1.00 13.97 H new ATOM 0 HA GLN A 62 12.809 -3.015 0.975 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.456 -3.333 3.894 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.273 -4.199 2.609 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.390 -1.189 3.014 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.598 -2.330 3.571 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.012 -1.085 0.538 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.450 -1.300 -0.467 1.00 32.71 H new ATOM 998 N LYS A 63 12.336 -5.554 1.615 1.00 11.73 N ATOM 999 CA LYS A 63 11.709 -6.921 1.553 1.00 11.97 C ATOM 1000 C LYS A 63 11.313 -7.478 2.941 1.00 10.41 C ATOM 1001 O LYS A 63 12.047 -7.456 3.920 1.00 9.59 O ATOM 1002 CB LYS A 63 12.516 -7.946 0.778 1.00 13.73 C ATOM 1003 CG LYS A 63 13.860 -8.412 1.301 1.00 16.98 C ATOM 1004 CD LYS A 63 14.614 -9.147 0.196 1.00 20.19 C ATOM 1005 CE LYS A 63 15.995 -9.597 0.709 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.812 -10.222 -0.345 1.00 25.97 N ATOM 0 H LYS A 63 13.261 -5.515 1.188 1.00 11.73 H new ATOM 0 HA LYS A 63 10.793 -6.752 0.987 1.00 11.97 H new ATOM 0 HB2 LYS A 63 11.890 -8.831 0.663 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.681 -7.540 -0.220 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.443 -7.558 1.647 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.719 -9.070 2.159 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.040 -10.013 -0.133 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.733 -8.495 -0.670 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.527 -8.736 1.114 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.862 -10.304 1.528 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.731 -10.507 0.051 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.320 -11.060 -0.715 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.964 -9.541 -1.116 1.00 25.97 H new ATOM 1020 N GLU A 64 10.024 -7.953 2.952 1.00 10.04 N ATOM 1021 CA GLU A 64 9.364 -8.678 3.965 1.00 10.94 C ATOM 1022 C GLU A 64 8.833 -7.863 5.140 1.00 9.74 C ATOM 1023 O GLU A 64 8.435 -8.372 6.163 1.00 9.42 O ATOM 1024 CB GLU A 64 10.146 -9.929 4.270 1.00 18.31 C ATOM 1025 CG GLU A 64 10.166 -10.814 2.999 1.00 24.16 C ATOM 1026 CD GLU A 64 10.676 -12.185 3.343 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.327 -12.788 4.409 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.506 -12.660 2.516 1.00 32.61 O ATOM 0 H GLU A 64 9.409 -7.795 2.153 1.00 10.04 H new ATOM 0 HA GLU A 64 8.399 -9.008 3.581 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.162 -9.677 4.573 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.690 -10.468 5.101 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.163 -10.884 2.577 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.801 -10.360 2.238 1.00 24.16 H new ATOM 1035 N SER A 65 8.857 -6.539 4.921 1.00 6.85 N ATOM 1036 CA SER A 65 8.311 -5.550 5.858 1.00 6.90 C ATOM 1037 C SER A 65 6.790 -5.576 5.734 1.00 4.72 C ATOM 1038 O SER A 65 6.273 -5.876 4.667 1.00 3.91 O ATOM 1039 CB SER A 65 8.753 -4.141 5.574 1.00 7.28 C ATOM 1040 OG SER A 65 10.133 -3.908 5.856 1.00 10.56 O ATOM 0 H SER A 65 9.260 -6.123 4.081 1.00 6.85 H new ATOM 0 HA SER A 65 8.672 -5.819 6.851 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.561 -3.913 4.525 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.149 -3.453 6.165 1.00 7.28 H new ATOM 0 HG SER A 65 10.661 -4.050 5.043 1.00 10.56 H new ATOM 1046 N THR A 66 6.043 -5.244 6.761 1.00 4.48 N ATOM 1047 CA THR A 66 4.573 -5.369 6.671 1.00 3.80 C ATOM 1048 C THR A 66 3.962 -3.960 6.695 1.00 4.60 C ATOM 1049 O THR A 66 4.375 -3.165 7.464 1.00 5.33 O ATOM 1050 CB THR A 66 3.985 -6.232 7.757 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.357 -7.633 7.588 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.448 -6.243 7.659 1.00 3.40 C ATOM 0 H THR A 66 6.397 -4.894 7.651 1.00 4.48 H new ATOM 0 HA THR A 66 4.331 -5.873 5.735 1.00 3.80 H new ATOM 0 HB THR A 66 4.353 -5.820 8.697 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.961 -8.166 8.309 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.037 -6.871 8.450 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.069 -5.227 7.769 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.148 -6.639 6.689 1.00 3.40 H new ATOM 1060 N LEU A 67 3.011 -3.654 5.777 1.00 4.17 N ATOM 1061 CA LEU A 67 2.309 -2.397 5.577 1.00 3.85 C ATOM 1062 C LEU A 67 0.887 -2.664 6.027 1.00 3.80 C ATOM 1063 O LEU A 67 0.453 -3.763 6.098 1.00 5.54 O ATOM 1064 CB LEU A 67 2.364 -1.848 4.124 1.00 7.18 C ATOM 1065 CG LEU A 67 3.702 -1.660 3.400 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.317 -2.997 3.006 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.612 -0.639 2.270 1.00 11.66 C ATOM 0 H LEU A 67 2.701 -4.356 5.106 1.00 4.17 H new ATOM 0 HA LEU A 67 2.792 -1.607 6.152 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.759 -2.514 3.508 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.866 -0.879 4.130 1.00 7.18 H new ATOM 0 HG LEU A 67 4.407 -1.218 4.104 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.264 -2.825 2.495 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.490 -3.595 3.900 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.637 -3.528 2.340 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.585 -0.542 1.789 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.876 -0.971 1.537 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.310 0.327 2.675 1.00 11.66 H new ATOM 1079 N HIS A 68 0.083 -1.628 6.264 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.310 -1.834 6.619 1.00 4.17 C ATOM 1081 C HIS A 68 -2.173 -1.277 5.557 1.00 5.32 C ATOM 1082 O HIS A 68 -1.876 -0.256 4.884 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.620 -1.148 7.997 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.628 -1.485 9.037 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.481 -0.723 9.299 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.635 -2.500 9.921 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.185 -1.392 10.253 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.508 -2.460 10.652 1.00 16.30 N ATOM 0 H HIS A 68 0.373 -0.651 6.216 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.508 -2.901 6.715 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.646 -0.067 7.862 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.611 -1.451 8.334 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.729 0.167 8.866 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.424 -3.229 10.031 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.153 -1.096 10.630 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.404 -1.814 5.519 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.490 -1.262 4.667 1.00 3.97 C ATOM 1098 C LEU A 69 -5.628 -0.579 5.508 1.00 5.07 C ATOM 1099 O LEU A 69 -6.142 -1.251 6.435 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.103 -2.395 3.812 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.242 -2.028 2.882 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.862 -1.028 1.752 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.828 -3.314 2.292 1.00 9.96 C ATOM 0 H LEU A 69 -3.680 -2.630 6.066 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.044 -0.497 4.032 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.306 -2.833 3.212 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.457 -3.173 4.488 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.982 -1.498 3.482 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.738 -0.824 1.137 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.504 -0.098 2.194 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.077 -1.461 1.132 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.649 -3.065 1.620 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.054 -3.846 1.738 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.198 -3.948 3.098 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.018 0.619 5.185 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.285 1.143 5.684 1.00 6.26 C ATOM 1117 C VAL A 70 -8.190 1.365 4.516 1.00 9.22 C ATOM 1118 O VAL A 70 -7.969 2.132 3.617 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.179 2.418 6.480 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.561 2.846 6.999 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.149 2.285 7.609 1.00 8.54 C ATOM 0 H VAL A 70 -5.494 1.257 4.586 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.674 0.400 6.380 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.819 3.208 5.821 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.465 3.769 7.572 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.231 3.011 6.155 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.968 2.063 7.639 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.096 3.221 8.165 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.448 1.480 8.281 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.171 2.059 7.184 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.309 0.608 4.491 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.325 0.598 3.485 1.00 16.06 C ATOM 1133 C LEU A 71 -11.256 1.771 3.658 1.00 18.09 C ATOM 1134 O LEU A 71 -12.015 1.889 4.614 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.168 -0.703 3.338 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.964 -0.803 2.009 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.957 -1.013 0.835 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.901 -2.045 2.067 1.00 19.57 C ATOM 0 H LEU A 71 -9.515 -0.051 5.242 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.752 0.662 2.560 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.503 -1.563 3.415 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.867 -0.765 4.172 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.547 0.106 1.861 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.504 -1.085 -0.105 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.269 -0.169 0.791 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.394 -1.932 0.998 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.463 -2.121 1.136 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -12.303 -2.946 2.204 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -13.594 -1.939 2.902 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.261 2.733 2.670 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.196 3.801 2.647 1.00 25.83 C ATOM 1152 C ARG A 72 -13.548 3.326 2.233 1.00 27.74 C ATOM 1153 O ARG A 72 -13.974 3.431 1.087 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.651 4.989 1.836 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.579 6.219 1.900 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.206 7.330 0.902 1.00 34.05 C ATOM 1157 NE ARG A 72 -13.126 8.418 1.144 1.00 35.08 N ATOM 1158 CZ ARG A 72 -13.176 9.465 0.278 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -12.460 9.617 -0.809 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -14.133 10.344 0.473 1.00 35.02 N ATOM 0 H ARG A 72 -10.600 2.745 1.894 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.333 4.184 3.658 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.665 5.261 2.213 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.523 4.688 0.796 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.604 5.900 1.708 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.556 6.628 2.910 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.175 7.653 1.047 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.287 6.973 -0.125 1.00 34.05 H new ATOM 0 HE ARG A 72 -13.736 8.400 1.962 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.781 8.904 -1.076 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -12.582 10.448 -1.388 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -14.790 10.220 1.243 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -14.219 11.150 -0.146 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.346 2.812 3.190 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.737 2.520 2.967 1.00 30.76 C ATOM 1176 C LEU A 73 -16.631 3.575 2.416 1.00 32.18 C ATOM 1177 O LEU A 73 -16.260 4.727 2.518 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.341 1.859 4.226 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.658 0.503 4.606 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.966 0.182 6.102 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.888 -0.648 3.562 1.00 29.11 C ATOM 0 H LEU A 73 -14.024 2.595 4.133 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.702 1.836 2.119 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.255 2.548 5.066 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.405 1.688 4.062 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.575 0.603 4.535 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.494 -0.761 6.376 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.575 0.980 6.733 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.044 0.103 6.243 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.382 -1.552 3.900 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.956 -0.844 3.466 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.486 -0.347 2.595 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.784 3.233 1.795 1.00 33.82 N ATOM 1194 CA ARG A 74 -18.719 4.140 1.200 1.00 35.33 C ATOM 1195 C ARG A 74 -19.349 5.034 2.200 1.00 36.22 C ATOM 1196 O ARG A 74 -19.613 4.650 3.348 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.805 3.332 0.412 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.403 2.614 -0.822 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.211 3.449 -2.165 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.779 2.477 -3.250 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.162 2.870 -4.391 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.976 4.101 -4.765 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.929 1.871 -5.243 1.00 41.93 N ATOM 0 H ARG A 74 -18.077 2.260 1.706 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.172 4.782 0.510 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.233 2.599 1.096 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -20.604 4.024 0.146 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.464 2.101 -0.615 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.151 1.845 -1.015 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.140 3.946 -2.443 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.461 4.228 -2.028 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.962 1.483 -3.113 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.307 4.868 -4.179 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.499 4.300 -5.644 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.211 0.920 -5.004 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.469 2.057 -6.134 1.00 41.93 H new ATOM 1217 N GLY A 75 -19.667 6.244 1.709 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.392 7.245 2.500 1.00 36.07 C ATOM 1219 C GLY A 75 -19.463 8.065 3.351 1.00 36.16 C ATOM 1220 O GLY A 75 -19.816 8.367 4.475 1.00 36.26 O ATOM 0 H GLY A 75 -19.431 6.550 0.765 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -20.948 7.903 1.832 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.122 6.746 3.137 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.194 8.333 2.987 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.295 9.146 3.818 1.00 36.19 C ATOM 1226 C GLY A 76 -15.946 9.213 3.124 1.00 36.20 C ATOM 1227 O GLY A 76 -15.632 10.398 2.802 1.00 0.00 O ATOM 1228 OXT GLY A 76 -15.314 8.190 2.839 1.00 0.00 O ATOM 0 H GLY A 76 -17.771 7.997 2.122 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.704 10.147 3.954 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.192 8.706 4.810 1.00 36.19 H new TER 1232 GLY A 76