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 Single : A 1 MET CE :methyl -157:sc= -0.0312 (180deg=-0.679) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.23 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 64:sc=0.000304 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 11 LYS NZ :NH3+ -107:sc= 0.927 (180deg=-2.25!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 25 ASN : amide:sc=-0.00906 X(o=-0.0091,f=-0.47) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= 1.31 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.257 K(o=-0.26,f=-2.6!) USER MOD Single : A 41 GLN : amide:sc= 0.444 K(o=0.44,f=-4.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.7) USER MOD Single : A 55 THR OG1 : rot -28:sc= 1.28 USER MOD Single : A 57 SER OG : rot 73:sc= 1.1 USER MOD Single : A 59 TYR OH : rot 90:sc= 0.568 USER MOD Single : A 60 ASN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.379 K(o=-0.38,f=-3.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.566 -7.456 -4.424 1.00 9.67 N ATOM 2 CA MET A 1 11.481 -7.727 -3.025 1.00 10.38 C ATOM 3 C MET A 1 10.023 -7.956 -2.605 1.00 9.62 C ATOM 4 O MET A 1 9.148 -7.427 -3.292 1.00 9.62 O ATOM 5 CB MET A 1 12.069 -6.510 -2.320 1.00 13.77 C ATOM 6 CG MET A 1 11.297 -5.186 -2.433 1.00 16.29 C ATOM 7 SD MET A 1 12.161 -3.881 -1.371 1.00 17.17 S ATOM 8 CE MET A 1 10.836 -2.653 -1.258 1.00 16.11 C ATOM 0 H1 MET A 1 12.554 -7.254 -4.679 1.00 9.67 H new ATOM 0 H2 MET A 1 11.233 -8.283 -4.959 1.00 9.67 H new ATOM 0 H3 MET A 1 10.974 -6.633 -4.655 1.00 9.67 H new ATOM 0 HA MET A 1 12.026 -8.633 -2.762 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.172 -6.751 -1.262 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.074 -6.348 -2.709 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.257 -4.860 -3.472 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.267 -5.320 -2.102 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.264 -1.675 -1.039 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.298 -2.610 -2.205 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.146 -2.934 -0.462 1.00 16.11 H new ATOM 20 N GLN A 2 9.774 -8.674 -1.454 1.00 9.27 N ATOM 21 CA GLN A 2 8.485 -8.844 -0.916 1.00 9.07 C ATOM 22 C GLN A 2 8.033 -7.569 -0.150 1.00 8.72 C ATOM 23 O GLN A 2 8.868 -6.848 0.424 1.00 8.22 O ATOM 24 CB GLN A 2 8.497 -10.162 -0.097 1.00 14.46 C ATOM 25 CG GLN A 2 7.247 -10.537 0.751 1.00 17.01 C ATOM 26 CD GLN A 2 6.614 -11.840 0.189 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.687 -12.929 0.723 1.00 21.89 O ATOM 28 NE2 GLN A 2 5.967 -11.641 -0.974 1.00 19.49 N ATOM 0 H GLN A 2 10.507 -9.132 -0.913 1.00 9.27 H new ATOM 0 HA GLN A 2 7.721 -8.955 -1.686 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.679 -10.980 -0.794 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.352 -10.122 0.578 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.530 -10.678 1.794 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.520 -9.726 0.725 1.00 17.01 H new ATOM 0 HE21 GLN A 2 5.932 -10.708 -1.385 1.00 19.49 H new ATOM 0 HE22 GLN A 2 5.511 -12.423 -1.444 1.00 19.49 H new ATOM 37 N ILE A 3 6.779 -7.358 -0.034 1.00 5.87 N ATOM 38 CA ILE A 3 6.245 -6.548 1.097 1.00 5.07 C ATOM 39 C ILE A 3 5.091 -7.344 1.449 1.00 4.01 C ATOM 40 O ILE A 3 4.633 -8.198 0.724 1.00 4.61 O ATOM 41 CB ILE A 3 5.892 -5.062 0.845 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.946 -4.864 -0.400 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.198 -4.225 0.760 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.536 -3.397 -0.540 1.00 10.83 C ATOM 0 H ILE A 3 6.072 -7.712 -0.679 1.00 5.87 H new ATOM 0 HA ILE A 3 7.002 -6.396 1.866 1.00 5.07 H new ATOM 0 HB ILE A 3 5.311 -4.695 1.691 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.456 -5.192 -1.306 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.058 -5.486 -0.291 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.949 -3.179 0.583 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.748 -4.313 1.697 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.815 -4.595 -0.059 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.883 -3.283 -1.405 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.006 -3.080 0.358 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.426 -2.782 -0.673 1.00 10.83 H new ATOM 56 N PHE A 4 4.529 -7.059 2.607 1.00 4.55 N ATOM 57 CA PHE A 4 3.481 -7.755 3.291 1.00 4.68 C ATOM 58 C PHE A 4 2.474 -6.713 3.529 1.00 5.30 C ATOM 59 O PHE A 4 2.816 -5.752 4.168 1.00 5.58 O ATOM 60 CB PHE A 4 3.865 -8.409 4.668 1.00 4.83 C ATOM 61 CG PHE A 4 4.837 -9.556 4.482 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.392 -10.810 3.981 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.184 -9.430 4.855 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.344 -11.820 3.800 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.058 -10.506 4.773 1.00 10.61 C ATOM 66 CZ PHE A 4 6.696 -11.697 4.104 1.00 8.90 C ATOM 0 H PHE A 4 4.836 -6.245 3.140 1.00 4.55 H new ATOM 0 HA PHE A 4 3.165 -8.602 2.682 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.309 -7.656 5.319 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.965 -8.770 5.165 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.351 -10.978 3.747 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.548 -8.478 5.213 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.005 -12.762 3.395 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.034 -10.431 5.230 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.418 -12.458 3.847 1.00 8.90 H new ATOM 76 N VAL A 5 1.213 -6.919 3.086 1.00 4.44 N ATOM 77 CA VAL A 5 0.197 -5.913 3.201 1.00 3.87 C ATOM 78 C VAL A 5 -0.999 -6.387 4.048 1.00 4.93 C ATOM 79 O VAL A 5 -1.684 -7.346 3.653 1.00 6.84 O ATOM 80 CB VAL A 5 -0.309 -5.451 1.833 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.314 -4.315 2.055 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.922 -4.964 1.079 1.00 9.13 C ATOM 0 H VAL A 5 0.899 -7.785 2.648 1.00 4.44 H new ATOM 0 HA VAL A 5 0.672 -5.072 3.706 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.810 -6.238 1.269 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.690 -3.968 1.092 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.145 -4.678 2.660 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.823 -3.490 2.571 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.628 -4.618 0.088 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.384 -4.143 1.628 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.636 -5.782 0.981 1.00 9.13 H new ATOM 92 N LYS A 6 -1.179 -5.782 5.219 1.00 6.04 N ATOM 93 CA LYS A 6 -2.167 -6.268 6.201 1.00 6.12 C ATOM 94 C LYS A 6 -3.428 -5.481 6.181 1.00 6.57 C ATOM 95 O LYS A 6 -3.462 -4.254 6.165 1.00 5.76 O ATOM 96 CB LYS A 6 -1.588 -6.337 7.644 1.00 7.45 C ATOM 97 CG LYS A 6 -0.549 -7.428 7.746 1.00 11.12 C ATOM 98 CD LYS A 6 0.290 -7.526 9.020 1.00 14.54 C ATOM 99 CE LYS A 6 -0.492 -7.805 10.299 1.00 18.84 C ATOM 100 NZ LYS A 6 0.439 -8.210 11.378 1.00 20.55 N ATOM 0 H LYS A 6 -0.660 -4.957 5.518 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.408 -7.285 5.891 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.144 -5.378 7.910 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.392 -6.525 8.356 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.058 -8.383 7.611 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.137 -7.311 6.907 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.030 -8.315 8.887 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.839 -6.593 9.146 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.046 -6.915 10.599 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.225 -8.593 10.124 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.099 -8.399 12.248 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.949 -9.070 11.092 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.122 -7.445 11.553 1.00 20.55 H new ATOM 114 N THR A 7 -4.534 -6.257 6.157 1.00 7.41 N ATOM 115 CA THR A 7 -5.868 -5.715 6.150 1.00 7.48 C ATOM 116 C THR A 7 -6.834 -6.635 6.828 1.00 8.75 C ATOM 117 O THR A 7 -6.564 -7.856 6.920 1.00 8.58 O ATOM 118 CB THR A 7 -6.379 -5.380 4.762 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.506 -4.503 4.707 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.589 -6.616 3.949 1.00 9.17 C ATOM 0 H THR A 7 -4.503 -7.276 6.142 1.00 7.41 H new ATOM 0 HA THR A 7 -5.800 -4.780 6.705 1.00 7.48 H new ATOM 0 HB THR A 7 -5.578 -4.793 4.312 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.257 -3.628 5.071 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.955 -6.343 2.959 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.645 -7.152 3.851 1.00 9.17 H new ATOM 0 HG23 THR A 7 -7.320 -7.256 4.443 1.00 9.17 H new ATOM 128 N LEU A 8 -7.828 -6.020 7.417 1.00 9.84 N ATOM 129 CA LEU A 8 -8.992 -6.646 8.074 1.00 14.15 C ATOM 130 C LEU A 8 -8.693 -7.853 9.021 1.00 17.37 C ATOM 131 O LEU A 8 -7.834 -7.713 9.882 1.00 17.01 O ATOM 132 CB LEU A 8 -10.226 -7.007 7.169 1.00 16.63 C ATOM 133 CG LEU A 8 -10.684 -5.841 6.214 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.796 -6.279 5.262 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.103 -4.570 6.928 1.00 18.59 C ATOM 0 H LEU A 8 -7.867 -5.002 7.464 1.00 9.84 H new ATOM 0 HA LEU A 8 -9.280 -5.792 8.687 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.978 -7.880 6.566 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.062 -7.289 7.809 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.787 -5.603 5.643 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.079 -5.442 4.623 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.442 -7.104 4.644 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.662 -6.604 5.839 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.402 -3.822 6.194 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.942 -4.784 7.590 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.266 -4.189 7.514 1.00 18.59 H new ATOM 147 N THR A 9 -9.415 -8.978 8.942 1.00 18.33 N ATOM 148 CA THR A 9 -9.394 -10.020 9.928 1.00 19.24 C ATOM 149 C THR A 9 -8.249 -11.037 9.772 1.00 19.48 C ATOM 150 O THR A 9 -8.388 -12.216 9.746 1.00 23.14 O ATOM 151 CB THR A 9 -10.681 -10.747 9.893 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.962 -11.091 8.570 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.906 -9.862 10.299 1.00 19.70 C ATOM 0 H THR A 9 -10.041 -9.176 8.162 1.00 18.33 H new ATOM 0 HA THR A 9 -9.228 -9.520 10.882 1.00 19.24 H new ATOM 0 HB THR A 9 -10.563 -11.585 10.580 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.813 -11.576 8.532 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.817 -10.458 10.251 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.767 -9.492 11.315 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.988 -9.018 9.614 1.00 19.70 H new ATOM 161 N GLY A 10 -7.043 -10.501 9.723 1.00 19.43 N ATOM 162 CA GLY A 10 -5.878 -11.227 9.664 1.00 18.74 C ATOM 163 C GLY A 10 -5.433 -11.548 8.295 1.00 17.62 C ATOM 164 O GLY A 10 -4.534 -12.361 8.166 1.00 19.74 O ATOM 0 H GLY A 10 -6.889 -9.493 9.726 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.089 -10.669 10.169 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.014 -12.156 10.217 1.00 18.74 H new ATOM 168 N LYS A 11 -6.058 -11.060 7.181 1.00 13.56 N ATOM 169 CA LYS A 11 -5.411 -11.224 5.848 1.00 11.91 C ATOM 170 C LYS A 11 -4.030 -10.583 5.694 1.00 10.18 C ATOM 171 O LYS A 11 -3.927 -9.379 6.006 1.00 9.10 O ATOM 172 CB LYS A 11 -6.321 -10.555 4.746 1.00 13.43 C ATOM 173 CG LYS A 11 -5.957 -11.110 3.359 1.00 16.69 C ATOM 174 CD LYS A 11 -7.022 -10.833 2.268 1.00 17.92 C ATOM 175 CE LYS A 11 -6.814 -11.795 1.043 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.913 -11.707 0.093 1.00 21.93 N ATOM 0 H LYS A 11 -6.957 -10.577 7.176 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.289 -12.302 5.740 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.371 -10.751 4.961 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.189 -9.473 4.761 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.008 -10.677 3.044 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.805 -12.186 3.438 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.021 -10.972 2.682 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.954 -9.796 1.940 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.879 -11.547 0.541 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.722 -12.821 1.398 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.499 -12.564 0.160 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.494 -10.872 0.311 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.532 -11.622 -0.871 1.00 21.93 H new ATOM 190 N THR A 12 -2.962 -11.248 5.110 1.00 9.63 N ATOM 191 CA THR A 12 -1.675 -10.677 4.755 1.00 9.85 C ATOM 192 C THR A 12 -1.655 -10.865 3.355 1.00 11.66 C ATOM 193 O THR A 12 -1.428 -11.992 2.891 1.00 12.33 O ATOM 194 CB THR A 12 -0.426 -11.286 5.432 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.490 -11.192 6.853 1.00 10.91 O ATOM 196 CG2 THR A 12 0.817 -10.612 4.977 1.00 9.63 C ATOM 0 H THR A 12 -3.017 -12.240 4.879 1.00 9.63 H new ATOM 0 HA THR A 12 -1.603 -9.646 5.101 1.00 9.85 H new ATOM 0 HB THR A 12 -0.407 -12.336 5.142 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.316 -11.589 7.244 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.677 -11.063 5.471 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.918 -10.725 3.898 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.769 -9.552 5.228 1.00 9.63 H new ATOM 204 N ILE A 13 -1.778 -9.786 2.569 1.00 10.42 N ATOM 205 CA ILE A 13 -1.699 -9.879 1.124 1.00 11.84 C ATOM 206 C ILE A 13 -0.217 -9.852 0.782 1.00 10.55 C ATOM 207 O ILE A 13 0.477 -8.993 1.358 1.00 11.92 O ATOM 208 CB ILE A 13 -2.406 -8.805 0.255 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.727 -8.255 0.873 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.538 -9.296 -1.242 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.051 -6.873 0.313 1.00 16.46 C ATOM 0 H ILE A 13 -1.933 -8.841 2.921 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.245 -10.789 0.875 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.762 -7.925 0.242 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.547 -8.941 0.660 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.632 -8.200 1.957 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.036 -8.528 -1.834 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.546 -9.484 -1.652 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.123 -10.215 -1.273 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.977 -6.508 0.758 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.239 -6.185 0.549 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.169 -6.937 -0.769 1.00 16.46 H new ATOM 223 N THR A 14 0.315 -10.805 0.003 1.00 9.39 N ATOM 224 CA THR A 14 1.749 -10.919 -0.295 1.00 9.63 C ATOM 225 C THR A 14 1.999 -10.322 -1.703 1.00 11.20 C ATOM 226 O THR A 14 1.290 -10.674 -2.650 1.00 11.63 O ATOM 227 CB THR A 14 2.298 -12.321 -0.367 1.00 10.38 C ATOM 228 OG1 THR A 14 1.303 -13.195 -0.847 1.00 16.30 O ATOM 229 CG2 THR A 14 2.670 -12.678 1.096 1.00 11.66 C ATOM 0 H THR A 14 -0.248 -11.529 -0.444 1.00 9.39 H new ATOM 0 HA THR A 14 2.243 -10.407 0.531 1.00 9.63 H new ATOM 0 HB THR A 14 3.154 -12.403 -1.037 1.00 10.38 H new ATOM 0 HG1 THR A 14 1.663 -14.105 -0.895 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.079 -13.688 1.131 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.414 -11.972 1.465 1.00 11.66 H new ATOM 0 HG23 THR A 14 1.779 -12.626 1.721 1.00 11.66 H new ATOM 237 N LEU A 15 2.935 -9.328 -1.852 1.00 8.29 N ATOM 238 CA LEU A 15 3.084 -8.653 -3.164 1.00 9.03 C ATOM 239 C LEU A 15 4.561 -8.738 -3.478 1.00 8.59 C ATOM 240 O LEU A 15 5.380 -9.006 -2.591 1.00 7.79 O ATOM 241 CB LEU A 15 2.790 -7.156 -3.044 1.00 11.08 C ATOM 242 CG LEU A 15 1.428 -6.759 -2.392 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.372 -5.249 -2.578 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.244 -7.413 -3.102 1.00 15.27 C ATOM 0 H LEU A 15 3.561 -8.998 -1.117 1.00 8.29 H new ATOM 0 HA LEU A 15 2.419 -9.107 -3.899 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.591 -6.697 -2.465 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.829 -6.720 -4.042 1.00 11.08 H new ATOM 0 HG LEU A 15 1.365 -7.079 -1.352 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.446 -4.864 -2.151 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.222 -4.789 -2.075 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.408 -5.012 -3.641 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.684 -7.110 -2.617 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.227 -7.099 -4.146 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.343 -8.497 -3.051 1.00 15.27 H new ATOM 256 N GLU A 16 4.915 -8.477 -4.718 1.00 11.04 N ATOM 257 CA GLU A 16 6.240 -8.403 -5.235 1.00 11.50 C ATOM 258 C GLU A 16 6.370 -7.062 -5.906 1.00 10.13 C ATOM 259 O GLU A 16 5.506 -6.627 -6.674 1.00 9.83 O ATOM 260 CB GLU A 16 6.451 -9.623 -6.124 1.00 17.22 C ATOM 261 CG GLU A 16 7.887 -9.661 -6.754 1.00 23.33 C ATOM 262 CD GLU A 16 9.088 -9.903 -5.850 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.012 -10.846 -4.959 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.123 -9.233 -6.003 1.00 28.86 O ATOM 0 H GLU A 16 4.216 -8.298 -5.439 1.00 11.04 H new ATOM 0 HA GLU A 16 7.032 -8.446 -4.487 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.290 -10.528 -5.539 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.707 -9.622 -6.921 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.890 -10.438 -7.518 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.047 -8.711 -7.265 1.00 23.33 H new ATOM 271 N VAL A 17 7.505 -6.418 -5.514 1.00 8.99 N ATOM 272 CA VAL A 17 7.720 -4.975 -5.681 1.00 8.85 C ATOM 273 C VAL A 17 9.245 -4.763 -5.805 1.00 8.04 C ATOM 274 O VAL A 17 9.992 -5.620 -5.417 1.00 8.99 O ATOM 275 CB VAL A 17 7.157 -4.151 -4.496 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.604 -4.302 -4.186 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.898 -4.377 -3.178 1.00 10.54 C ATOM 0 H VAL A 17 8.290 -6.897 -5.074 1.00 8.99 H new ATOM 0 HA VAL A 17 7.190 -4.627 -6.567 1.00 8.85 H new ATOM 0 HB VAL A 17 7.324 -3.143 -4.876 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.340 -3.674 -3.335 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.027 -3.993 -5.058 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.379 -5.343 -3.952 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.446 -3.766 -2.397 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.833 -5.429 -2.900 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.945 -4.098 -3.297 1.00 10.54 H new ATOM 287 N GLU A 18 9.676 -3.549 -6.169 1.00 7.29 N ATOM 288 CA GLU A 18 11.027 -3.095 -6.036 1.00 7.08 C ATOM 289 C GLU A 18 10.963 -1.835 -5.178 1.00 6.45 C ATOM 290 O GLU A 18 9.956 -1.172 -4.928 1.00 5.28 O ATOM 291 CB GLU A 18 11.628 -2.690 -7.450 1.00 10.28 C ATOM 292 CG GLU A 18 11.752 -3.883 -8.330 1.00 12.65 C ATOM 293 CD GLU A 18 12.208 -3.474 -9.704 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.361 -2.879 -9.791 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.518 -3.831 -10.713 1.00 14.33 O ATOM 0 H GLU A 18 9.057 -2.847 -6.576 1.00 7.29 H new ATOM 0 HA GLU A 18 11.650 -3.878 -5.605 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.986 -1.947 -7.924 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.606 -2.227 -7.316 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.462 -4.589 -7.899 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.793 -4.396 -8.396 1.00 12.65 H new ATOM 302 N PRO A 19 12.091 -1.323 -4.676 1.00 7.24 N ATOM 303 CA PRO A 19 12.116 -0.050 -3.882 1.00 7.07 C ATOM 304 C PRO A 19 11.771 1.208 -4.647 1.00 6.65 C ATOM 305 O PRO A 19 11.611 2.248 -3.966 1.00 6.37 O ATOM 306 CB PRO A 19 13.567 0.062 -3.491 1.00 7.61 C ATOM 307 CG PRO A 19 14.138 -1.284 -3.405 1.00 8.16 C ATOM 308 CD PRO A 19 13.349 -2.032 -4.518 1.00 7.49 C ATOM 0 HA PRO A 19 11.377 -0.110 -3.083 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.111 0.656 -4.225 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.661 0.574 -2.533 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.212 -1.286 -3.592 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.985 -1.732 -2.423 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.910 -2.041 -5.453 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.177 -3.072 -4.240 1.00 7.49 H new ATOM 316 N SER A 20 11.863 1.132 -5.983 1.00 6.80 N ATOM 317 CA SER A 20 11.568 2.298 -6.811 1.00 6.28 C ATOM 318 C SER A 20 10.136 2.220 -7.397 1.00 8.45 C ATOM 319 O SER A 20 9.744 3.123 -8.069 1.00 7.26 O ATOM 320 CB SER A 20 12.528 2.531 -7.989 1.00 8.57 C ATOM 321 OG SER A 20 13.857 2.580 -7.556 1.00 11.13 O ATOM 0 H SER A 20 12.133 0.294 -6.498 1.00 6.80 H new ATOM 0 HA SER A 20 11.685 3.133 -6.120 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.410 1.732 -8.721 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.272 3.464 -8.491 1.00 8.57 H new ATOM 0 HG SER A 20 14.446 2.727 -8.325 1.00 11.13 H new ATOM 327 N ASP A 21 9.352 1.168 -7.025 1.00 7.50 N ATOM 328 CA ASP A 21 7.943 1.202 -7.277 1.00 7.70 C ATOM 329 C ASP A 21 7.277 2.381 -6.475 1.00 7.08 C ATOM 330 O ASP A 21 7.419 2.622 -5.266 1.00 8.11 O ATOM 331 CB ASP A 21 7.281 -0.133 -6.914 1.00 11.00 C ATOM 332 CG ASP A 21 7.655 -1.119 -8.052 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.060 -0.677 -9.153 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.520 -2.312 -7.728 1.00 14.36 O ATOM 0 H ASP A 21 9.691 0.323 -6.564 1.00 7.50 H new ATOM 0 HA ASP A 21 7.793 1.370 -8.344 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.638 -0.496 -5.950 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.200 -0.023 -6.833 1.00 11.00 H new ATOM 339 N THR A 22 6.411 3.094 -7.236 1.00 5.37 N ATOM 340 CA THR A 22 5.502 4.082 -6.703 1.00 6.01 C ATOM 341 C THR A 22 4.449 3.406 -5.869 1.00 8.01 C ATOM 342 O THR A 22 4.018 2.249 -6.126 1.00 8.11 O ATOM 343 CB THR A 22 4.823 5.055 -7.657 1.00 8.92 C ATOM 344 OG1 THR A 22 4.013 4.344 -8.654 1.00 10.22 O ATOM 345 CG2 THR A 22 5.882 5.883 -8.395 1.00 9.65 C ATOM 0 H THR A 22 6.340 2.982 -8.247 1.00 5.37 H new ATOM 0 HA THR A 22 6.173 4.723 -6.131 1.00 6.01 H new ATOM 0 HB THR A 22 4.175 5.702 -7.066 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.587 4.993 -9.252 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.391 6.578 -9.076 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.475 6.442 -7.672 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.534 5.218 -8.962 1.00 9.65 H new ATOM 353 N ILE A 23 3.900 4.175 -4.902 1.00 8.32 N ATOM 354 CA ILE A 23 2.751 3.840 -4.073 1.00 9.92 C ATOM 355 C ILE A 23 1.533 3.678 -4.970 1.00 10.01 C ATOM 356 O ILE A 23 0.703 2.799 -4.761 1.00 8.71 O ATOM 357 CB ILE A 23 2.492 4.849 -2.917 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.652 5.022 -2.002 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.224 4.466 -2.155 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.335 3.765 -1.506 1.00 12.30 C ATOM 0 H ILE A 23 4.278 5.095 -4.677 1.00 8.32 H new ATOM 0 HA ILE A 23 2.968 2.900 -3.566 1.00 9.92 H new ATOM 0 HB ILE A 23 2.347 5.825 -3.380 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.397 5.632 -2.513 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.316 5.589 -1.134 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.054 5.180 -1.349 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.373 4.478 -2.836 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.339 3.466 -1.736 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.162 4.035 -0.849 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.619 3.155 -0.956 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.717 3.199 -2.356 1.00 12.30 H new ATOM 372 N GLU A 24 1.432 4.435 -6.051 1.00 9.54 N ATOM 373 CA GLU A 24 0.367 4.370 -6.988 1.00 11.81 C ATOM 374 C GLU A 24 0.380 3.031 -7.708 1.00 11.14 C ATOM 375 O GLU A 24 -0.655 2.389 -7.919 1.00 10.62 O ATOM 376 CB GLU A 24 0.352 5.505 -8.098 1.00 19.24 C ATOM 377 CG GLU A 24 -0.614 5.262 -9.326 1.00 27.76 C ATOM 378 CD GLU A 24 -0.502 6.228 -10.496 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.360 5.997 -11.361 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.358 7.165 -10.560 1.00 34.80 O ATOM 0 H GLU A 24 2.131 5.137 -6.293 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.525 4.513 -6.378 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.074 6.446 -7.623 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.366 5.627 -8.478 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.438 4.254 -9.701 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.640 5.291 -8.960 1.00 27.76 H new ATOM 387 N ASN A 25 1.518 2.500 -8.060 1.00 9.43 N ATOM 388 CA ASN A 25 1.697 1.118 -8.419 1.00 10.96 C ATOM 389 C ASN A 25 1.420 0.074 -7.305 1.00 9.68 C ATOM 390 O ASN A 25 0.851 -1.000 -7.529 1.00 9.33 O ATOM 391 CB ASN A 25 3.194 0.839 -8.934 1.00 16.78 C ATOM 392 CG ASN A 25 3.277 -0.125 -10.106 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.224 -1.369 -9.997 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.548 0.490 -11.298 1.00 24.70 N ATOM 0 H ASN A 25 2.382 3.040 -8.107 1.00 9.43 H new ATOM 0 HA ASN A 25 0.944 0.981 -9.195 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.650 1.786 -9.223 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.783 0.441 -8.108 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.715 -0.070 -12.134 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.583 1.508 -11.350 1.00 24.70 H new ATOM 401 N VAL A 26 1.833 0.316 -6.016 1.00 6.52 N ATOM 402 CA VAL A 26 1.520 -0.549 -4.869 1.00 5.53 C ATOM 403 C VAL A 26 0.019 -0.681 -4.733 1.00 4.42 C ATOM 404 O VAL A 26 -0.497 -1.791 -4.582 1.00 3.40 O ATOM 405 CB VAL A 26 2.223 -0.230 -3.549 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.841 -1.258 -2.444 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.760 -0.125 -3.599 1.00 8.12 C ATOM 0 H VAL A 26 2.396 1.128 -5.763 1.00 6.52 H new ATOM 0 HA VAL A 26 1.957 -1.519 -5.106 1.00 5.53 H new ATOM 0 HB VAL A 26 1.858 0.771 -3.317 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.356 -1.005 -1.518 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.764 -1.231 -2.279 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.135 -2.259 -2.761 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.142 0.104 -2.604 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.179 -1.072 -3.939 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.048 0.667 -4.290 1.00 8.12 H new ATOM 417 N LYS A 27 -0.835 0.417 -4.825 1.00 2.64 N ATOM 418 CA LYS A 27 -2.295 0.433 -4.844 1.00 4.14 C ATOM 419 C LYS A 27 -2.874 -0.300 -6.054 1.00 5.58 C ATOM 420 O LYS A 27 -3.871 -1.016 -5.971 1.00 4.11 O ATOM 421 CB LYS A 27 -2.880 1.882 -4.782 1.00 3.97 C ATOM 422 CG LYS A 27 -2.641 2.546 -3.440 1.00 7.45 C ATOM 423 CD LYS A 27 -3.342 3.879 -3.369 1.00 9.02 C ATOM 424 CE LYS A 27 -3.270 4.677 -2.122 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.007 5.970 -2.260 1.00 15.47 N ATOM 0 H LYS A 27 -0.456 1.362 -4.891 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.597 -0.099 -3.942 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.429 2.487 -5.569 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.951 1.847 -4.981 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.000 1.898 -2.640 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.571 2.684 -3.283 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.949 4.498 -4.176 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.396 3.705 -3.585 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.690 4.103 -1.296 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.227 4.875 -1.875 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.069 6.435 -1.332 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.500 6.589 -2.924 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.965 5.787 -2.620 1.00 15.47 H new ATOM 439 N ALA A 28 -2.246 -0.150 -7.302 1.00 6.61 N ATOM 440 CA ALA A 28 -2.691 -1.000 -8.454 1.00 7.74 C ATOM 441 C ALA A 28 -2.492 -2.562 -8.240 1.00 9.17 C ATOM 442 O ALA A 28 -3.294 -3.403 -8.582 1.00 11.45 O ATOM 443 CB ALA A 28 -2.085 -0.418 -9.753 1.00 7.68 C ATOM 0 H ALA A 28 -1.491 0.505 -7.505 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.776 -0.947 -8.539 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.398 -1.024 -10.604 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.432 0.606 -9.889 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.997 -0.426 -9.682 1.00 7.68 H new ATOM 449 N LYS A 29 -1.378 -2.943 -7.597 1.00 8.96 N ATOM 450 CA LYS A 29 -1.138 -4.300 -7.191 1.00 7.90 C ATOM 451 C LYS A 29 -2.288 -4.903 -6.295 1.00 6.92 C ATOM 452 O LYS A 29 -2.713 -6.021 -6.536 1.00 6.87 O ATOM 453 CB LYS A 29 0.244 -4.491 -6.540 1.00 10.28 C ATOM 454 CG LYS A 29 1.291 -4.667 -7.671 1.00 14.94 C ATOM 455 CD LYS A 29 2.731 -4.287 -7.239 1.00 19.69 C ATOM 456 CE LYS A 29 3.672 -4.214 -8.473 1.00 22.63 C ATOM 457 NZ LYS A 29 4.201 -5.572 -8.782 1.00 24.98 N ATOM 0 H LYS A 29 -0.625 -2.300 -7.351 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.140 -4.874 -8.118 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.495 -3.630 -5.920 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.239 -5.364 -5.887 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.282 -5.704 -8.007 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.001 -4.053 -8.524 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.720 -3.325 -6.726 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.110 -5.023 -6.530 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.130 -3.820 -9.333 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.496 -3.529 -8.274 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.989 -5.492 -9.456 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.538 -6.021 -7.906 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.446 -6.152 -9.200 1.00 24.98 H new ATOM 471 N ILE A 30 -2.765 -4.100 -5.295 1.00 4.57 N ATOM 472 CA ILE A 30 -3.819 -4.508 -4.388 1.00 5.58 C ATOM 473 C ILE A 30 -5.153 -4.579 -5.098 1.00 7.26 C ATOM 474 O ILE A 30 -5.942 -5.443 -4.822 1.00 9.46 O ATOM 475 CB ILE A 30 -3.821 -3.496 -3.253 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.517 -3.556 -2.421 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.991 -3.806 -2.254 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.271 -2.369 -1.454 1.00 2.00 C ATOM 0 H ILE A 30 -2.413 -3.159 -5.118 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.645 -5.511 -3.999 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.928 -2.516 -3.718 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.523 -4.477 -1.839 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.674 -3.619 -3.109 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.982 -3.075 -1.446 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.943 -3.753 -2.781 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.861 -4.806 -1.840 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.330 -2.519 -0.926 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.224 -1.440 -2.023 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.087 -2.312 -0.733 1.00 2.00 H new ATOM 490 N GLN A 31 -5.392 -3.598 -5.954 1.00 7.06 N ATOM 491 CA GLN A 31 -6.574 -3.655 -6.852 1.00 8.67 C ATOM 492 C GLN A 31 -6.652 -4.948 -7.753 1.00 10.90 C ATOM 493 O GLN A 31 -7.673 -5.614 -7.859 1.00 9.63 O ATOM 494 CB GLN A 31 -6.526 -2.431 -7.736 1.00 9.12 C ATOM 495 CG GLN A 31 -7.595 -2.304 -8.825 1.00 10.76 C ATOM 496 CD GLN A 31 -7.085 -1.229 -9.739 1.00 13.78 C ATOM 497 OE1 GLN A 31 -5.836 -1.147 -10.044 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.968 -0.397 -10.331 1.00 14.76 N ATOM 0 H GLN A 31 -4.811 -2.766 -6.059 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.463 -3.688 -6.222 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.591 -1.551 -7.096 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.549 -2.402 -8.219 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.730 -3.245 -9.358 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.562 -2.036 -8.400 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -8.959 -0.454 -10.096 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.644 0.289 -11.013 1.00 14.76 H new ATOM 507 N ASP A 32 -5.532 -5.331 -8.357 1.00 10.93 N ATOM 508 CA ASP A 32 -5.391 -6.498 -9.234 1.00 14.01 C ATOM 509 C ASP A 32 -5.673 -7.782 -8.480 1.00 14.04 C ATOM 510 O ASP A 32 -6.367 -8.665 -8.989 1.00 13.39 O ATOM 511 CB ASP A 32 -3.973 -6.505 -9.771 1.00 18.01 C ATOM 512 CG ASP A 32 -3.648 -7.461 -10.910 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.234 -7.390 -12.027 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.737 -8.337 -10.789 1.00 25.17 O ATOM 0 H ASP A 32 -4.658 -4.817 -8.247 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.110 -6.436 -10.051 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.737 -5.495 -10.105 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.303 -6.732 -8.942 1.00 18.01 H new ATOM 519 N LYS A 33 -5.299 -7.852 -7.204 1.00 14.22 N ATOM 520 CA LYS A 33 -5.614 -8.942 -6.349 1.00 14.00 C ATOM 521 C LYS A 33 -7.028 -8.889 -5.928 1.00 12.37 C ATOM 522 O LYS A 33 -7.832 -9.805 -6.100 1.00 12.17 O ATOM 523 CB LYS A 33 -4.683 -8.945 -5.071 1.00 18.62 C ATOM 524 CG LYS A 33 -3.198 -9.208 -5.212 1.00 24.00 C ATOM 525 CD LYS A 33 -2.897 -10.739 -5.220 1.00 27.61 C ATOM 526 CE LYS A 33 -1.414 -11.092 -5.350 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.040 -10.999 -6.740 1.00 30.06 N ATOM 0 H LYS A 33 -4.755 -7.121 -6.746 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.445 -9.860 -6.912 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.795 -7.975 -4.587 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.080 -9.692 -4.384 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.832 -8.757 -6.134 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.662 -8.733 -4.390 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.283 -11.177 -4.300 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.441 -11.199 -6.045 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.809 -10.413 -4.749 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.230 -12.099 -4.975 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.033 -11.236 -6.845 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.613 -11.663 -7.299 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.204 -10.030 -7.080 1.00 30.06 H new ATOM 541 N GLU A 34 -7.435 -7.755 -5.304 1.00 10.11 N ATOM 542 CA GLU A 34 -8.643 -7.870 -4.461 1.00 10.07 C ATOM 543 C GLU A 34 -9.820 -7.072 -4.927 1.00 9.32 C ATOM 544 O GLU A 34 -10.867 -7.191 -4.371 1.00 11.61 O ATOM 545 CB GLU A 34 -8.254 -7.185 -3.096 1.00 14.77 C ATOM 546 CG GLU A 34 -7.267 -8.026 -2.252 1.00 18.75 C ATOM 547 CD GLU A 34 -7.994 -9.280 -1.746 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.931 -9.230 -0.910 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.602 -10.386 -2.162 1.00 21.95 O ATOM 0 H GLU A 34 -6.994 -6.837 -5.358 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.923 -8.923 -4.445 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.809 -6.211 -3.299 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.159 -7.007 -2.515 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.402 -8.308 -2.852 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.895 -7.440 -1.411 1.00 18.75 H new ATOM 556 N GLY A 35 -9.663 -6.178 -5.969 1.00 7.22 N ATOM 557 CA GLY A 35 -10.827 -5.490 -6.566 1.00 6.29 C ATOM 558 C GLY A 35 -11.190 -4.250 -5.797 1.00 6.93 C ATOM 559 O GLY A 35 -12.158 -3.595 -6.083 1.00 7.41 O ATOM 0 H GLY A 35 -8.765 -5.936 -6.387 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.604 -5.226 -7.600 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.680 -6.168 -6.588 1.00 6.29 H new ATOM 563 N ILE A 36 -10.422 -3.900 -4.793 1.00 5.86 N ATOM 564 CA ILE A 36 -10.583 -2.700 -3.980 1.00 6.07 C ATOM 565 C ILE A 36 -10.092 -1.465 -4.777 1.00 6.36 C ATOM 566 O ILE A 36 -8.943 -1.482 -5.159 1.00 6.18 O ATOM 567 CB ILE A 36 -9.714 -2.730 -2.708 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.137 -4.011 -1.859 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.003 -1.407 -1.927 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.118 -4.338 -0.785 1.00 9.49 C ATOM 0 H ILE A 36 -9.626 -4.467 -4.500 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.640 -2.652 -3.717 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.648 -2.795 -2.925 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.108 -3.836 -1.397 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.250 -4.867 -2.525 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.407 -1.385 -1.015 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.743 -0.552 -2.551 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.061 -1.360 -1.670 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.444 -5.217 -0.230 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.152 -4.539 -1.249 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.024 -3.493 -0.103 1.00 9.49 H new ATOM 582 N PRO A 37 -10.817 -0.332 -5.048 1.00 8.65 N ATOM 583 CA PRO A 37 -10.342 0.764 -5.829 1.00 9.18 C ATOM 584 C PRO A 37 -9.165 1.485 -5.230 1.00 9.85 C ATOM 585 O PRO A 37 -9.249 1.699 -4.013 1.00 8.51 O ATOM 586 CB PRO A 37 -11.495 1.766 -5.804 1.00 11.42 C ATOM 587 CG PRO A 37 -12.734 0.950 -5.656 1.00 9.27 C ATOM 588 CD PRO A 37 -12.242 -0.235 -4.872 1.00 8.33 C ATOM 0 HA PRO A 37 -10.032 0.391 -6.805 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.387 2.467 -4.977 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.521 2.356 -6.720 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.518 1.492 -5.126 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.146 0.657 -6.622 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.487 -0.120 -3.816 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.730 -1.147 -5.216 1.00 8.33 H new ATOM 596 N PRO A 38 -8.092 1.919 -5.902 1.00 8.71 N ATOM 597 CA PRO A 38 -7.018 2.842 -5.417 1.00 9.08 C ATOM 598 C PRO A 38 -7.415 4.022 -4.549 1.00 9.28 C ATOM 599 O PRO A 38 -6.692 4.399 -3.619 1.00 6.50 O ATOM 600 CB PRO A 38 -6.161 3.111 -6.592 1.00 10.31 C ATOM 601 CG PRO A 38 -6.326 1.831 -7.416 1.00 10.81 C ATOM 602 CD PRO A 38 -7.807 1.521 -7.260 1.00 12.00 C ATOM 0 HA PRO A 38 -6.444 2.350 -4.632 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.489 3.993 -7.141 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.122 3.281 -6.308 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.052 1.983 -8.460 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.701 1.022 -7.037 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.411 2.077 -7.977 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.015 0.463 -7.421 1.00 12.00 H new ATOM 610 N ASP A 39 -8.527 4.740 -4.757 1.00 11.20 N ATOM 611 CA ASP A 39 -8.925 5.940 -4.100 1.00 14.96 C ATOM 612 C ASP A 39 -9.601 5.584 -2.711 1.00 13.99 C ATOM 613 O ASP A 39 -9.675 6.460 -1.838 1.00 13.75 O ATOM 614 CB ASP A 39 -9.955 6.823 -4.908 1.00 24.16 C ATOM 615 CG ASP A 39 -9.312 7.300 -6.154 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.354 8.155 -6.008 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.628 6.905 -7.282 1.00 35.55 O ATOM 0 H ASP A 39 -9.213 4.450 -5.454 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.010 6.521 -3.989 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.846 6.241 -5.144 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.279 7.670 -4.304 1.00 24.16 H new ATOM 622 N GLN A 40 -10.068 4.323 -2.530 1.00 11.60 N ATOM 623 CA GLN A 40 -10.509 3.822 -1.263 1.00 10.76 C ATOM 624 C GLN A 40 -9.390 3.387 -0.406 1.00 8.01 C ATOM 625 O GLN A 40 -9.364 3.539 0.826 1.00 8.96 O ATOM 626 CB GLN A 40 -11.368 2.513 -1.544 1.00 11.14 C ATOM 627 CG GLN A 40 -12.149 2.213 -0.271 1.00 14.85 C ATOM 628 CD GLN A 40 -13.177 1.124 -0.559 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.176 0.373 -1.570 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.059 0.930 0.464 1.00 18.16 N ATOM 0 H GLN A 40 -10.138 3.641 -3.286 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.057 4.621 -0.763 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.045 2.668 -2.384 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.721 1.676 -1.806 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.471 1.890 0.519 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.647 3.115 0.086 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.044 1.549 1.275 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.733 0.166 0.418 1.00 18.16 H new ATOM 639 N GLN A 41 -8.328 2.870 -1.023 1.00 6.52 N ATOM 640 CA GLN A 41 -7.152 2.282 -0.383 1.00 3.87 C ATOM 641 C GLN A 41 -6.428 3.392 0.294 1.00 4.79 C ATOM 642 O GLN A 41 -5.991 4.360 -0.261 1.00 6.34 O ATOM 643 CB GLN A 41 -6.166 1.561 -1.396 1.00 4.20 C ATOM 644 CG GLN A 41 -6.739 0.225 -1.892 1.00 3.20 C ATOM 645 CD GLN A 41 -5.714 -0.273 -2.862 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.546 -0.281 -2.516 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.119 -0.744 -4.057 1.00 7.13 N ATOM 0 H GLN A 41 -8.262 2.849 -2.041 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.490 1.510 0.308 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.977 2.215 -2.248 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.207 1.387 -0.909 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.884 -0.476 -1.070 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.709 0.360 -2.371 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.108 -0.718 -4.307 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.437 -1.126 -4.712 1.00 7.13 H new ATOM 656 N ARG A 42 -6.297 3.169 1.636 1.00 5.73 N ATOM 657 CA ARG A 42 -5.506 4.017 2.548 1.00 6.97 C ATOM 658 C ARG A 42 -4.462 3.207 3.180 1.00 7.15 C ATOM 659 O ARG A 42 -4.714 2.192 3.824 1.00 7.33 O ATOM 660 CB ARG A 42 -6.508 4.509 3.668 1.00 13.23 C ATOM 661 CG ARG A 42 -7.217 5.781 3.208 1.00 21.27 C ATOM 662 CD ARG A 42 -7.896 6.447 4.381 1.00 26.14 C ATOM 663 NE ARG A 42 -8.344 7.768 3.774 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.370 8.847 4.561 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.361 8.783 5.894 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.571 10.042 4.026 1.00 36.39 N ATOM 0 H ARG A 42 -6.747 2.385 2.108 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.041 4.848 2.017 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.241 3.730 3.880 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.967 4.699 4.595 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.498 6.465 2.757 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.952 5.540 2.440 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.737 5.862 4.752 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.214 6.593 5.219 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.617 7.828 2.793 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.333 7.877 6.361 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.382 9.641 6.446 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.705 10.134 3.019 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.592 10.870 4.621 1.00 36.39 H new ATOM 680 N LEU A 43 -3.171 3.590 2.933 1.00 4.65 N ATOM 681 CA LEU A 43 -2.014 2.810 3.228 1.00 3.51 C ATOM 682 C LEU A 43 -1.196 3.417 4.309 1.00 5.56 C ATOM 683 O LEU A 43 -0.719 4.567 4.136 1.00 4.19 O ATOM 684 CB LEU A 43 -1.116 2.738 1.935 1.00 3.74 C ATOM 685 CG LEU A 43 -1.378 1.596 0.913 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.657 1.747 -0.373 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.038 0.210 1.519 1.00 6.41 C ATOM 0 H LEU A 43 -2.943 4.489 2.507 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.349 1.825 3.552 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.219 3.686 1.407 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.077 2.663 2.256 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.443 1.666 0.693 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.897 0.908 -1.026 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.960 2.678 -0.853 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.417 1.767 -0.188 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.232 -0.568 0.780 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.014 0.186 1.804 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.657 0.036 2.399 1.00 6.41 H new ATOM 699 N ILE A 44 -0.832 2.663 5.399 1.00 4.58 N ATOM 700 CA ILE A 44 -0.200 3.110 6.628 1.00 5.55 C ATOM 701 C ILE A 44 1.104 2.402 6.908 1.00 5.46 C ATOM 702 O ILE A 44 1.088 1.191 7.095 1.00 6.04 O ATOM 703 CB ILE A 44 -1.139 3.003 7.842 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.651 3.305 7.623 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.523 3.829 8.996 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.059 4.781 7.503 1.00 13.90 C ATOM 0 H ILE A 44 -0.998 1.657 5.412 1.00 4.58 H new ATOM 0 HA ILE A 44 0.027 4.164 6.468 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.189 1.942 8.087 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.971 2.791 6.717 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.207 2.866 8.452 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.170 3.770 9.871 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.460 3.430 9.244 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.425 4.870 8.687 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.136 4.850 7.353 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.785 5.310 8.416 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.545 5.233 6.654 1.00 13.90 H new ATOM 718 N PHE A 45 2.190 3.156 7.098 1.00 6.75 N ATOM 719 CA PHE A 45 3.415 2.522 7.581 1.00 4.70 C ATOM 720 C PHE A 45 4.090 3.523 8.532 1.00 6.34 C ATOM 721 O PHE A 45 4.302 4.677 8.090 1.00 5.45 O ATOM 722 CB PHE A 45 4.281 2.045 6.395 1.00 5.51 C ATOM 723 CG PHE A 45 5.585 1.477 6.780 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.529 0.501 7.787 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.813 1.996 6.389 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.730 -0.060 8.305 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.976 1.433 6.821 1.00 6.64 C ATOM 728 CZ PHE A 45 7.974 0.351 7.707 1.00 6.84 C ATOM 0 H PHE A 45 2.247 4.161 6.933 1.00 6.75 H new ATOM 0 HA PHE A 45 3.225 1.609 8.145 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.724 1.295 5.833 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.450 2.887 5.723 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.573 0.175 8.169 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.846 2.855 5.735 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.709 -0.770 9.119 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.918 1.830 6.472 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.892 -0.169 7.939 1.00 6.84 H new ATOM 738 N ALA A 46 4.365 3.063 9.787 1.00 6.53 N ATOM 739 CA ALA A 46 5.093 3.820 10.804 1.00 7.15 C ATOM 740 C ALA A 46 4.391 5.092 11.175 1.00 9.00 C ATOM 741 O ALA A 46 4.998 6.119 11.498 1.00 11.15 O ATOM 742 CB ALA A 46 6.495 4.167 10.366 1.00 8.99 C ATOM 0 H ALA A 46 4.075 2.139 10.108 1.00 6.53 H new ATOM 0 HA ALA A 46 5.137 3.162 11.672 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.994 4.729 11.155 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.051 3.251 10.165 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.454 4.772 9.460 1.00 8.99 H new ATOM 748 N GLY A 47 3.033 5.059 11.275 1.00 9.35 N ATOM 749 CA GLY A 47 2.181 6.192 11.675 1.00 11.68 C ATOM 750 C GLY A 47 1.984 7.184 10.563 1.00 11.14 C ATOM 751 O GLY A 47 1.444 8.272 10.743 1.00 13.93 O ATOM 0 H GLY A 47 2.496 4.216 11.072 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.210 5.816 11.999 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.630 6.695 12.531 1.00 11.68 H new ATOM 755 N LYS A 48 2.376 6.819 9.302 1.00 10.47 N ATOM 756 CA LYS A 48 2.360 7.705 8.132 1.00 8.82 C ATOM 757 C LYS A 48 1.464 7.209 7.031 1.00 7.68 C ATOM 758 O LYS A 48 1.547 6.053 6.613 1.00 6.47 O ATOM 759 CB LYS A 48 3.773 7.919 7.525 1.00 9.74 C ATOM 760 CG LYS A 48 4.814 8.524 8.474 1.00 14.14 C ATOM 761 CD LYS A 48 6.219 8.653 7.811 1.00 16.32 C ATOM 762 CE LYS A 48 7.421 8.781 8.784 1.00 20.04 C ATOM 763 NZ LYS A 48 8.737 8.448 8.070 1.00 23.92 N ATOM 0 H LYS A 48 2.715 5.881 9.086 1.00 10.47 H new ATOM 0 HA LYS A 48 1.975 8.648 8.519 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.146 6.958 7.169 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.681 8.568 6.654 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.477 9.508 8.799 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.892 7.903 9.367 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.381 7.781 7.177 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.212 9.525 7.157 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.465 9.794 9.184 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.282 8.110 9.632 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.528 8.540 8.739 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.700 7.473 7.710 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.877 9.105 7.276 1.00 23.92 H new ATOM 777 N GLN A 49 0.529 8.031 6.572 1.00 8.89 N ATOM 778 CA GLN A 49 -0.436 7.684 5.540 1.00 7.18 C ATOM 779 C GLN A 49 0.057 8.150 4.157 1.00 8.23 C ATOM 780 O GLN A 49 -0.046 9.271 3.728 1.00 9.70 O ATOM 781 CB GLN A 49 -1.845 8.306 5.884 1.00 11.67 C ATOM 782 CG GLN A 49 -2.909 7.835 4.848 1.00 15.82 C ATOM 783 CD GLN A 49 -4.316 7.998 5.432 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.920 7.031 5.952 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.852 9.228 5.425 1.00 20.67 N ATOM 0 H GLN A 49 0.419 8.984 6.918 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.541 6.600 5.506 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.147 8.007 6.888 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.781 9.394 5.881 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.817 8.416 3.930 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.735 6.792 4.584 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.345 10.003 4.997 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.766 9.388 5.848 1.00 20.67 H new ATOM 794 N LEU A 50 0.620 7.189 3.410 1.00 6.51 N ATOM 795 CA LEU A 50 1.441 7.346 2.215 1.00 7.41 C ATOM 796 C LEU A 50 0.692 8.094 1.123 1.00 8.27 C ATOM 797 O LEU A 50 -0.543 8.004 0.991 1.00 8.34 O ATOM 798 CB LEU A 50 1.878 5.963 1.689 1.00 7.13 C ATOM 799 CG LEU A 50 2.322 4.896 2.715 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.730 3.649 1.936 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.380 5.327 3.701 1.00 9.11 C ATOM 0 H LEU A 50 0.499 6.205 3.651 1.00 6.51 H new ATOM 0 HA LEU A 50 2.320 7.929 2.488 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.049 5.548 1.116 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.702 6.117 0.992 1.00 7.13 H new ATOM 0 HG LEU A 50 1.471 4.698 3.366 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.050 2.874 2.632 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.881 3.288 1.356 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.551 3.893 1.262 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.612 4.499 4.370 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.281 5.622 3.163 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.012 6.172 4.283 1.00 9.11 H new ATOM 813 N GLU A 51 1.464 8.820 0.248 1.00 9.43 N ATOM 814 CA GLU A 51 0.798 9.521 -0.786 1.00 11.90 C ATOM 815 C GLU A 51 1.110 8.691 -2.079 1.00 11.49 C ATOM 816 O GLU A 51 2.071 7.931 -2.030 1.00 9.88 O ATOM 817 CB GLU A 51 1.383 10.936 -0.910 1.00 16.56 C ATOM 818 CG GLU A 51 1.155 11.875 0.215 1.00 26.06 C ATOM 819 CD GLU A 51 1.902 13.244 0.135 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.822 13.998 -0.837 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.623 13.531 1.118 1.00 32.13 O ATOM 0 H GLU A 51 2.480 8.904 0.271 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.272 9.626 -0.608 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.459 10.843 -1.057 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.976 11.390 -1.814 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.085 12.072 0.285 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.448 11.379 1.140 1.00 26.06 H new ATOM 828 N ASP A 52 0.278 8.746 -3.168 1.00 12.71 N ATOM 829 CA ASP A 52 0.395 8.005 -4.426 1.00 16.56 C ATOM 830 C ASP A 52 1.610 8.248 -5.320 1.00 15.83 C ATOM 831 O ASP A 52 2.201 7.395 -5.936 1.00 17.21 O ATOM 832 CB ASP A 52 -0.925 8.373 -5.292 1.00 21.05 C ATOM 833 CG ASP A 52 -2.149 8.176 -4.527 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.432 6.970 -4.307 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.821 9.195 -4.142 1.00 25.82 O ATOM 0 H ASP A 52 -0.540 9.356 -3.169 1.00 12.71 H new ATOM 0 HA ASP A 52 0.510 6.965 -4.122 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.866 9.410 -5.621 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.954 7.755 -6.189 1.00 21.05 H new ATOM 840 N GLY A 53 2.036 9.539 -5.326 1.00 15.00 N ATOM 841 CA GLY A 53 3.030 10.138 -6.210 1.00 11.77 C ATOM 842 C GLY A 53 4.460 9.909 -5.783 1.00 11.10 C ATOM 843 O GLY A 53 5.334 10.475 -6.310 1.00 11.25 O ATOM 0 H GLY A 53 1.660 10.219 -4.665 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.894 9.737 -7.214 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.848 11.211 -6.268 1.00 11.77 H new ATOM 847 N ARG A 54 4.586 8.939 -4.827 1.00 8.53 N ATOM 848 CA ARG A 54 5.846 8.749 -4.131 1.00 9.05 C ATOM 849 C ARG A 54 6.138 7.278 -4.217 1.00 8.96 C ATOM 850 O ARG A 54 5.309 6.448 -4.563 1.00 11.60 O ATOM 851 CB ARG A 54 5.581 9.206 -2.640 1.00 7.97 C ATOM 852 CG ARG A 54 5.019 10.656 -2.443 1.00 9.62 C ATOM 853 CD ARG A 54 6.070 11.675 -2.914 1.00 12.20 C ATOM 854 NE ARG A 54 5.383 12.937 -2.593 1.00 18.23 N ATOM 855 CZ ARG A 54 4.617 13.671 -3.426 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.443 13.245 -4.721 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.060 14.841 -3.140 1.00 23.38 N ATOM 0 H ARG A 54 3.838 8.305 -4.544 1.00 8.53 H new ATOM 0 HA ARG A 54 6.688 9.309 -4.537 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.881 8.504 -2.187 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.517 9.124 -2.087 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.095 10.781 -3.008 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.776 10.825 -1.394 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.016 11.571 -2.382 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.290 11.582 -3.977 1.00 12.20 H new ATOM 0 HE ARG A 54 5.498 13.293 -1.644 1.00 18.23 H new ATOM 0 HH11 ARG A 54 4.890 12.385 -5.039 1.00 25.50 H new ATOM 0 HH12 ARG A 54 3.867 13.789 -5.364 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.197 15.260 -2.220 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.495 15.322 -3.840 1.00 23.38 H new ATOM 871 N THR A 55 7.437 6.954 -3.917 1.00 9.05 N ATOM 872 CA THR A 55 7.921 5.586 -4.027 1.00 9.03 C ATOM 873 C THR A 55 8.150 4.937 -2.724 1.00 8.15 C ATOM 874 O THR A 55 8.228 5.550 -1.645 1.00 5.91 O ATOM 875 CB THR A 55 9.144 5.501 -4.910 1.00 11.15 C ATOM 876 OG1 THR A 55 10.308 5.984 -4.241 1.00 11.95 O ATOM 877 CG2 THR A 55 8.961 6.378 -6.191 1.00 11.71 C ATOM 0 H THR A 55 8.137 7.627 -3.605 1.00 9.05 H new ATOM 0 HA THR A 55 7.118 5.023 -4.504 1.00 9.03 H new ATOM 0 HB THR A 55 9.266 4.449 -5.167 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.048 6.656 -3.577 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.853 6.303 -6.814 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.096 6.026 -6.752 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.807 7.417 -5.901 1.00 11.71 H new ATOM 885 N LEU A 56 8.368 3.627 -2.642 1.00 6.91 N ATOM 886 CA LEU A 56 8.803 2.860 -1.450 1.00 8.29 C ATOM 887 C LEU A 56 10.084 3.378 -0.797 1.00 8.05 C ATOM 888 O LEU A 56 10.227 3.406 0.426 1.00 10.17 O ATOM 889 CB LEU A 56 8.857 1.345 -1.761 1.00 6.60 C ATOM 890 CG LEU A 56 7.500 0.713 -2.208 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.588 -0.756 -2.524 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.446 0.862 -1.032 1.00 8.64 C ATOM 0 H LEU A 56 8.241 3.022 -3.453 1.00 6.91 H new ATOM 0 HA LEU A 56 8.039 3.022 -0.689 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.595 1.177 -2.546 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.210 0.820 -0.874 1.00 6.60 H new ATOM 0 HG LEU A 56 7.209 1.243 -3.115 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.607 -1.123 -2.826 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.299 -0.912 -3.335 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.921 -1.299 -1.640 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.496 0.423 -1.337 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.815 0.347 -0.145 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.301 1.918 -0.805 1.00 8.64 H new ATOM 904 N SER A 57 10.958 3.897 -1.689 1.00 8.92 N ATOM 905 CA SER A 57 12.205 4.591 -1.317 1.00 9.00 C ATOM 906 C SER A 57 12.013 5.994 -0.697 1.00 9.44 C ATOM 907 O SER A 57 13.010 6.686 -0.417 1.00 10.91 O ATOM 908 CB SER A 57 13.258 4.737 -2.521 1.00 10.32 C ATOM 909 OG SER A 57 13.794 3.481 -2.769 1.00 13.59 O ATOM 0 H SER A 57 10.813 3.843 -2.697 1.00 8.92 H new ATOM 0 HA SER A 57 12.604 3.921 -0.555 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.767 5.126 -3.413 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.045 5.443 -2.257 1.00 10.32 H new ATOM 0 HG SER A 57 13.124 2.922 -3.215 1.00 13.59 H new ATOM 915 N ASP A 58 10.797 6.527 -0.577 1.00 9.11 N ATOM 916 CA ASP A 58 10.481 7.831 -0.016 1.00 7.91 C ATOM 917 C ASP A 58 9.879 7.778 1.398 1.00 9.12 C ATOM 918 O ASP A 58 9.769 8.776 2.120 1.00 8.61 O ATOM 919 CB ASP A 58 9.549 8.659 -0.961 1.00 8.41 C ATOM 920 CG ASP A 58 10.283 8.939 -2.233 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.211 9.780 -2.236 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.890 8.400 -3.288 1.00 11.70 O ATOM 0 H ASP A 58 9.963 6.029 -0.887 1.00 9.11 H new ATOM 0 HA ASP A 58 11.444 8.334 0.072 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.633 8.106 -1.167 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.256 9.592 -0.480 1.00 8.41 H new ATOM 927 N TYR A 59 9.602 6.531 1.877 1.00 7.97 N ATOM 928 CA TYR A 59 8.990 6.238 3.195 1.00 8.45 C ATOM 929 C TYR A 59 9.731 5.115 3.882 1.00 10.98 C ATOM 930 O TYR A 59 9.340 4.576 4.914 1.00 12.95 O ATOM 931 CB TYR A 59 7.567 5.737 3.033 1.00 7.94 C ATOM 932 CG TYR A 59 6.650 6.840 2.579 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.148 7.856 3.388 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.224 6.793 1.253 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.245 8.843 2.895 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.305 7.844 0.735 1.00 6.52 C ATOM 937 CZ TYR A 59 4.839 8.820 1.514 1.00 6.76 C ATOM 938 OH TYR A 59 3.992 9.848 1.089 1.00 7.63 O ATOM 0 H TYR A 59 9.805 5.687 1.341 1.00 7.97 H new ATOM 0 HA TYR A 59 9.027 7.165 3.768 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.546 4.922 2.309 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.211 5.332 3.980 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.453 7.898 4.423 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.559 5.998 0.604 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.866 9.607 3.557 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.007 7.815 -0.303 1.00 6.52 H new ATOM 0 HH TYR A 59 4.529 10.602 0.766 1.00 7.63 H new ATOM 948 N ASN A 60 10.855 4.644 3.278 1.00 12.38 N ATOM 949 CA ASN A 60 11.728 3.596 3.933 1.00 13.94 C ATOM 950 C ASN A 60 11.059 2.223 3.954 1.00 14.16 C ATOM 951 O ASN A 60 11.431 1.430 4.826 1.00 14.26 O ATOM 952 CB ASN A 60 12.538 4.031 5.166 1.00 19.23 C ATOM 953 CG ASN A 60 13.254 5.371 4.960 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.014 6.383 5.621 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.161 5.381 3.971 1.00 24.09 N ATOM 0 H ASN A 60 11.183 4.954 2.363 1.00 12.38 H new ATOM 0 HA ASN A 60 12.580 3.462 3.266 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.871 4.108 6.025 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.274 3.263 5.402 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.668 6.239 3.753 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.343 4.531 3.437 1.00 24.09 H new ATOM 962 N ILE A 61 10.173 1.837 3.037 1.00 11.08 N ATOM 963 CA ILE A 61 9.590 0.507 2.976 1.00 11.78 C ATOM 964 C ILE A 61 10.585 -0.481 2.269 1.00 13.74 C ATOM 965 O ILE A 61 10.901 -0.362 1.103 1.00 14.60 O ATOM 966 CB ILE A 61 8.210 0.658 2.257 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.272 1.574 3.072 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.587 -0.773 2.170 1.00 13.29 C ATOM 969 CD1 ILE A 61 5.985 1.954 2.339 1.00 11.42 C ATOM 0 H ILE A 61 9.836 2.458 2.301 1.00 11.08 H new ATOM 0 HA ILE A 61 9.418 0.073 3.961 1.00 11.78 H new ATOM 0 HB ILE A 61 8.341 1.101 1.270 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.013 1.074 4.005 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.810 2.484 3.337 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.618 -0.718 1.673 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.250 -1.425 1.601 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.458 -1.175 3.175 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.380 2.598 2.977 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.233 2.484 1.419 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.424 1.051 2.098 1.00 11.42 H new ATOM 981 N GLN A 62 10.989 -1.572 3.037 1.00 13.97 N ATOM 982 CA GLN A 62 12.084 -2.356 2.567 1.00 15.52 C ATOM 983 C GLN A 62 11.756 -3.813 2.333 1.00 13.94 C ATOM 984 O GLN A 62 10.585 -4.223 2.484 1.00 12.15 O ATOM 985 CB GLN A 62 13.240 -2.265 3.681 1.00 19.53 C ATOM 986 CG GLN A 62 13.778 -0.801 3.794 1.00 26.38 C ATOM 987 CD GLN A 62 14.344 -0.575 5.171 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.130 -1.431 6.044 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.975 0.570 5.421 1.00 32.71 N ATOM 0 H GLN A 62 10.570 -1.869 3.918 1.00 13.97 H new ATOM 0 HA GLN A 62 12.381 -1.956 1.597 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.850 -2.591 4.645 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.056 -2.940 3.423 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.546 -0.626 3.041 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.974 -0.091 3.600 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.127 1.243 4.670 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.306 0.775 6.364 1.00 32.71 H new ATOM 998 N LYS A 63 12.658 -4.630 1.933 1.00 11.73 N ATOM 999 CA LYS A 63 12.425 -6.042 1.749 1.00 11.97 C ATOM 1000 C LYS A 63 11.867 -6.799 2.987 1.00 10.41 C ATOM 1001 O LYS A 63 12.466 -6.815 4.050 1.00 9.59 O ATOM 1002 CB LYS A 63 13.804 -6.573 1.379 1.00 13.73 C ATOM 1003 CG LYS A 63 13.853 -8.073 0.902 1.00 16.98 C ATOM 1004 CD LYS A 63 15.151 -8.553 0.289 1.00 20.19 C ATOM 1005 CE LYS A 63 16.451 -8.444 1.151 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.452 -9.230 2.404 1.00 25.97 N ATOM 0 H LYS A 63 13.612 -4.342 1.714 1.00 11.73 H new ATOM 0 HA LYS A 63 11.648 -6.199 1.001 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.214 -5.946 0.588 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.459 -6.464 2.244 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.626 -8.709 1.758 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.057 -8.224 0.173 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.022 -9.598 0.009 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.313 -7.994 -0.632 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.297 -8.762 0.542 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.614 -7.395 1.400 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.355 -9.090 2.901 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.670 -8.914 3.012 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.332 -10.239 2.181 1.00 25.97 H new ATOM 1020 N GLU A 64 10.648 -7.344 2.809 1.00 10.04 N ATOM 1021 CA GLU A 64 9.916 -8.181 3.753 1.00 10.94 C ATOM 1022 C GLU A 64 9.285 -7.332 4.848 1.00 9.74 C ATOM 1023 O GLU A 64 8.906 -7.826 5.899 1.00 9.42 O ATOM 1024 CB GLU A 64 10.753 -9.390 4.313 1.00 18.31 C ATOM 1025 CG GLU A 64 11.174 -10.397 3.250 1.00 24.16 C ATOM 1026 CD GLU A 64 11.958 -11.546 3.897 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.997 -11.823 5.124 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.592 -12.288 3.111 1.00 31.72 O ATOM 0 H GLU A 64 10.124 -7.197 1.946 1.00 10.04 H new ATOM 0 HA GLU A 64 9.108 -8.655 3.195 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.645 -9.004 4.806 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.165 -9.904 5.074 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.294 -10.788 2.739 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.789 -9.906 2.495 1.00 24.16 H new ATOM 1035 N SER A 65 9.186 -5.971 4.535 1.00 6.85 N ATOM 1036 CA SER A 65 8.443 -5.004 5.424 1.00 6.90 C ATOM 1037 C SER A 65 6.952 -5.229 5.431 1.00 4.72 C ATOM 1038 O SER A 65 6.373 -5.885 4.589 1.00 3.91 O ATOM 1039 CB SER A 65 8.872 -3.549 5.062 1.00 7.28 C ATOM 1040 OG SER A 65 8.562 -2.551 6.044 1.00 10.56 O ATOM 0 H SER A 65 9.599 -5.547 3.704 1.00 6.85 H new ATOM 0 HA SER A 65 8.724 -5.186 6.461 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.948 -3.539 4.887 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.393 -3.271 4.123 1.00 7.28 H new ATOM 0 HG SER A 65 8.870 -1.675 5.729 1.00 10.56 H new ATOM 1046 N THR A 66 6.241 -4.639 6.378 1.00 4.48 N ATOM 1047 CA THR A 66 4.875 -4.862 6.732 1.00 3.80 C ATOM 1048 C THR A 66 4.210 -3.563 6.596 1.00 4.60 C ATOM 1049 O THR A 66 4.565 -2.558 7.282 1.00 5.33 O ATOM 1050 CB THR A 66 4.668 -5.448 8.116 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.393 -6.681 8.412 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.197 -5.703 8.383 1.00 3.40 C ATOM 0 H THR A 66 6.662 -3.922 6.969 1.00 4.48 H new ATOM 0 HA THR A 66 4.452 -5.620 6.072 1.00 3.80 H new ATOM 0 HB THR A 66 5.081 -4.680 8.770 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.189 -6.969 9.326 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.076 -6.123 9.382 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.647 -4.765 8.315 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.810 -6.405 7.645 1.00 3.40 H new ATOM 1060 N LEU A 67 3.281 -3.483 5.671 1.00 4.17 N ATOM 1061 CA LEU A 67 2.534 -2.306 5.237 1.00 3.85 C ATOM 1062 C LEU A 67 1.062 -2.524 5.557 1.00 3.80 C ATOM 1063 O LEU A 67 0.541 -3.613 5.487 1.00 5.54 O ATOM 1064 CB LEU A 67 2.710 -2.188 3.700 1.00 7.18 C ATOM 1065 CG LEU A 67 1.990 -1.049 3.013 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.185 0.289 3.738 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.423 -0.933 1.573 1.00 11.66 C ATOM 0 H LEU A 67 2.997 -4.313 5.150 1.00 4.17 H new ATOM 0 HA LEU A 67 2.887 -1.404 5.736 1.00 3.85 H new ATOM 0 HB2 LEU A 67 3.775 -2.094 3.487 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.376 -3.122 3.248 1.00 7.18 H new ATOM 0 HG LEU A 67 0.926 -1.283 3.047 1.00 9.67 H new ATOM 0 HD11 LEU A 67 1.648 1.073 3.205 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.799 0.212 4.754 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.247 0.534 3.771 1.00 8.12 H new ATOM 0 HD21 LEU A 67 1.892 -0.107 1.099 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.496 -0.747 1.530 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.194 -1.861 1.048 1.00 11.66 H new ATOM 1079 N HIS A 68 0.346 -1.501 6.017 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.965 -1.675 6.485 1.00 4.17 C ATOM 1081 C HIS A 68 -1.927 -0.988 5.577 1.00 5.32 C ATOM 1082 O HIS A 68 -1.732 0.091 5.117 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.221 -1.177 7.921 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.942 -2.259 8.983 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.385 -2.642 9.192 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.731 -3.105 9.766 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.326 -3.578 10.101 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.915 -3.958 10.455 1.00 16.30 N ATOM 0 H HIS A 68 0.687 -0.541 6.063 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.111 -2.755 6.498 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.592 -0.309 8.118 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.256 -0.847 8.008 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.810 -3.088 9.818 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.211 -4.016 10.538 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.185 -4.709 11.091 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.027 -1.743 5.346 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.116 -1.264 4.445 1.00 3.97 C ATOM 1098 C LEU A 69 -5.371 -1.092 5.231 1.00 5.07 C ATOM 1099 O LEU A 69 -5.737 -1.999 5.938 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.293 -2.221 3.204 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.494 -1.916 2.306 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.151 -0.627 1.558 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.906 -3.074 1.377 1.00 9.96 C ATOM 0 H LEU A 69 -3.188 -2.663 5.756 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.847 -0.291 4.033 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.387 -2.175 2.599 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.382 -3.245 3.566 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.388 -1.786 2.915 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.976 -0.359 0.898 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.984 0.177 2.275 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.248 -0.779 0.967 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.764 -2.771 0.777 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.074 -3.326 0.719 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.171 -3.945 1.977 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.036 0.028 5.139 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.375 0.232 5.594 1.00 6.26 C ATOM 1117 C VAL A 70 -8.096 0.842 4.441 1.00 9.22 C ATOM 1118 O VAL A 70 -7.454 1.329 3.447 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.490 1.030 6.974 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.824 0.192 8.081 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.775 2.398 6.825 1.00 8.54 C ATOM 0 H VAL A 70 -5.631 0.865 4.721 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.844 -0.711 5.875 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.534 1.204 7.234 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.894 0.723 9.031 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.331 -0.769 8.164 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.775 0.029 7.833 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.848 2.951 7.762 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.725 2.235 6.580 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.249 2.971 6.028 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.438 0.784 4.489 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.249 1.246 3.345 1.00 16.06 C ATOM 1133 C LEU A 71 -11.109 2.364 3.810 1.00 18.09 C ATOM 1134 O LEU A 71 -11.772 2.206 4.824 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.090 0.074 2.879 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.369 -1.058 2.198 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.285 -2.026 1.428 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.270 -0.515 1.327 1.00 19.57 C ATOM 0 H LEU A 71 -9.974 0.433 5.283 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.631 1.599 2.519 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.615 -0.331 3.744 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.849 0.453 2.194 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.936 -1.669 2.989 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.682 -2.810 0.969 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.001 -2.475 2.117 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.821 -1.480 0.652 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.753 -1.340 0.837 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.697 0.145 0.572 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.563 0.044 1.940 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.067 3.489 3.144 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.932 4.685 3.390 1.00 25.83 C ATOM 1152 C ARG A 72 -13.431 4.445 3.320 1.00 27.74 C ATOM 1153 O ARG A 72 -14.033 3.669 2.531 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.397 5.864 2.453 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.852 7.247 2.941 1.00 31.79 C ATOM 1156 CD ARG A 72 -11.432 8.367 1.929 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.701 9.656 2.662 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.383 10.894 2.222 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.850 11.029 1.024 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.553 11.969 3.011 1.00 35.02 N ATOM 0 H ARG A 72 -10.412 3.635 2.376 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.835 4.973 4.437 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.308 5.833 2.420 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.752 5.705 1.435 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.935 7.254 3.067 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.416 7.453 3.918 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -10.381 8.279 1.653 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -12.010 8.306 1.007 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.163 9.588 3.569 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -10.683 10.206 0.444 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.604 11.956 0.677 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.926 11.856 3.954 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.309 12.898 2.667 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.199 5.045 4.157 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.649 4.995 4.241 1.00 30.76 C ATOM 1176 C LEU A 73 -15.970 6.379 4.746 1.00 32.18 C ATOM 1177 O LEU A 73 -15.335 6.936 5.649 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.119 3.982 5.317 1.00 30.53 C ATOM 1179 CG LEU A 73 -17.582 3.963 5.730 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -18.348 3.380 4.590 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.718 3.143 6.997 1.00 29.11 C ATOM 0 H LEU A 73 -13.807 5.648 4.880 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.116 4.705 3.300 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.866 2.984 4.960 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.527 4.159 6.215 1.00 30.53 H new ATOM 0 HG LEU A 73 -17.971 4.958 5.946 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -19.408 3.347 4.843 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -18.206 3.997 3.703 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.991 2.370 4.390 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -18.763 3.121 7.305 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.373 2.126 6.811 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -17.116 3.592 7.787 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.982 7.042 4.131 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.253 8.453 4.441 1.00 35.33 C ATOM 1195 C ARG A 74 -17.982 8.659 5.779 1.00 36.22 C ATOM 1196 O ARG A 74 -18.029 9.788 6.312 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.109 9.076 3.301 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.538 9.083 1.891 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.294 9.898 1.776 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.628 9.488 0.529 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.657 10.174 -0.137 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.269 11.365 0.229 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.974 9.633 -1.161 1.00 41.93 N ATOM 0 H ARG A 74 -17.604 6.628 3.437 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.284 8.944 4.526 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.060 8.545 3.272 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.328 10.108 3.576 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.326 8.059 1.585 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.287 9.473 1.202 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.530 10.962 1.756 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.643 9.732 2.634 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.923 8.600 0.122 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.696 11.814 1.039 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.539 11.847 -0.295 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.176 8.680 -1.462 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.253 10.176 -1.637 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.474 7.545 6.347 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.066 7.504 7.676 1.00 36.07 C ATOM 1219 C GLY A 75 -18.137 7.584 8.803 1.00 36.16 C ATOM 1220 O GLY A 75 -18.573 8.072 9.877 1.00 36.26 O ATOM 0 H GLY A 75 -18.467 6.638 5.880 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.776 8.327 7.759 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.636 6.580 7.768 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.852 7.147 8.667 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.886 7.266 9.697 1.00 36.19 C ATOM 1226 C GLY A 76 -14.410 7.084 9.139 1.00 36.20 C ATOM 1227 O GLY A 76 -14.067 5.915 8.835 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.643 8.083 9.069 1.00 0.00 O ATOM 0 H GLY A 76 -16.497 6.706 7.819 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.978 8.243 10.172 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.080 6.518 10.466 1.00 36.19 H new TER 1232 GLY A 76