USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 128:sc= 0.357 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.46 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.365 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.392 K(o=0.76,f=0.14) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 177:sc= 0.965 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 0.835 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 2.52 (180deg=2.38) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.08) USER MOD Single : A 14 THR OG1 : rot -63:sc= 0.408 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= 1.67 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 0.386 (180deg=0.324) USER MOD Single : A 31 GLN : amide:sc= -0.225 K(o=-0.22,f=-0.91) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 41 GLN : amide:sc= 1.9 K(o=1.9,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 59 TYR OH : rot 120:sc= -0.12 USER MOD Single : A 60 ASN : amide:sc= -0.0446 X(o=-0.045,f=-0.045) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 0.867 (180deg=0.603) USER MOD Single : A 65 SER OG : rot 77:sc= 0.72 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0638 K(o=0.064,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.144 -7.126 -5.588 1.00 9.67 N ATOM 2 CA MET A 1 11.197 -7.403 -4.100 1.00 10.38 C ATOM 3 C MET A 1 9.901 -7.668 -3.463 1.00 9.62 C ATOM 4 O MET A 1 8.828 -7.300 -3.965 1.00 9.62 O ATOM 5 CB MET A 1 11.956 -6.217 -3.358 1.00 13.77 C ATOM 6 CG MET A 1 11.361 -4.825 -3.276 1.00 16.29 C ATOM 7 SD MET A 1 12.334 -3.741 -2.191 1.00 17.17 S ATOM 8 CE MET A 1 11.039 -2.491 -2.096 1.00 16.11 C ATOM 0 H1 MET A 1 12.111 -7.086 -5.968 1.00 9.67 H new ATOM 0 H2 MET A 1 10.616 -7.885 -6.064 1.00 9.67 H new ATOM 0 H3 MET A 1 10.669 -6.216 -5.755 1.00 9.67 H new ATOM 0 HA MET A 1 11.748 -8.338 -3.997 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.134 -6.546 -2.334 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.931 -6.117 -3.835 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.312 -4.391 -4.275 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.338 -4.888 -2.905 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.374 -1.668 -1.465 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.821 -2.117 -3.096 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.138 -2.932 -1.669 1.00 16.11 H new ATOM 20 N GLN A 2 9.939 -8.366 -2.343 1.00 9.27 N ATOM 21 CA GLN A 2 8.726 -8.782 -1.642 1.00 9.07 C ATOM 22 C GLN A 2 8.410 -7.758 -0.576 1.00 8.72 C ATOM 23 O GLN A 2 9.317 -7.274 0.087 1.00 8.22 O ATOM 24 CB GLN A 2 9.020 -10.191 -1.024 1.00 14.46 C ATOM 25 CG GLN A 2 7.763 -11.022 -0.488 1.00 17.01 C ATOM 26 CD GLN A 2 8.067 -12.515 -0.516 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.438 -13.179 0.460 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.819 -13.080 -1.697 1.00 19.49 N ATOM 0 H GLN A 2 10.804 -8.662 -1.891 1.00 9.27 H new ATOM 0 HA GLN A 2 7.863 -8.849 -2.304 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.528 -10.793 -1.778 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.718 -10.060 -0.197 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.520 -10.712 0.528 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.889 -10.810 -1.104 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.514 -12.506 -2.483 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.934 -14.087 -1.815 1.00 19.49 H new ATOM 37 N ILE A 3 7.172 -7.428 -0.394 1.00 5.87 N ATOM 38 CA ILE A 3 6.669 -6.688 0.755 1.00 5.07 C ATOM 39 C ILE A 3 5.359 -7.405 1.177 1.00 4.01 C ATOM 40 O ILE A 3 4.789 -8.121 0.360 1.00 4.61 O ATOM 41 CB ILE A 3 6.495 -5.190 0.685 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.572 -4.834 -0.534 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.833 -4.515 0.526 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.204 -3.317 -0.515 1.00 10.83 C ATOM 0 H ILE A 3 6.440 -7.670 -1.062 1.00 5.87 H new ATOM 0 HA ILE A 3 7.472 -6.717 1.492 1.00 5.07 H new ATOM 0 HB ILE A 3 6.036 -4.839 1.609 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.080 -5.080 -1.467 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.664 -5.435 -0.498 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.692 -3.435 0.477 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.468 -4.760 1.378 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.308 -4.861 -0.392 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.564 -3.087 -1.367 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.676 -3.082 0.409 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.115 -2.721 -0.574 1.00 10.83 H new ATOM 56 N PHE A 4 4.822 -7.092 2.388 1.00 4.55 N ATOM 57 CA PHE A 4 3.591 -7.637 2.892 1.00 4.68 C ATOM 58 C PHE A 4 2.572 -6.548 3.175 1.00 5.30 C ATOM 59 O PHE A 4 2.911 -5.501 3.680 1.00 5.58 O ATOM 60 CB PHE A 4 3.889 -8.412 4.228 1.00 4.83 C ATOM 61 CG PHE A 4 4.876 -9.519 3.989 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.372 -10.726 3.357 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.238 -9.506 4.318 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.230 -11.774 3.116 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.130 -10.495 3.924 1.00 10.61 C ATOM 66 CZ PHE A 4 6.579 -11.609 3.231 1.00 8.90 C ATOM 0 H PHE A 4 5.265 -6.437 3.033 1.00 4.55 H new ATOM 0 HA PHE A 4 3.177 -8.304 2.135 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.282 -7.722 4.975 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.963 -8.824 4.630 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.331 -10.800 3.078 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.614 -8.684 4.909 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.831 -12.737 2.833 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.187 -10.422 4.133 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.242 -12.338 2.788 1.00 8.90 H new ATOM 76 N VAL A 5 1.324 -6.790 2.865 1.00 4.44 N ATOM 77 CA VAL A 5 0.193 -5.847 3.149 1.00 3.87 C ATOM 78 C VAL A 5 -0.898 -6.488 3.919 1.00 4.93 C ATOM 79 O VAL A 5 -1.591 -7.403 3.408 1.00 6.84 O ATOM 80 CB VAL A 5 -0.284 -5.066 1.924 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.376 -4.146 2.258 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.954 -4.317 1.283 1.00 9.13 C ATOM 0 H VAL A 5 1.027 -7.649 2.402 1.00 4.44 H new ATOM 0 HA VAL A 5 0.603 -5.079 3.805 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.695 -5.760 1.190 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.687 -3.610 1.361 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.220 -4.711 2.654 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.034 -3.432 3.007 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.626 -3.756 0.408 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.383 -3.631 2.014 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.707 -5.047 0.985 1.00 9.13 H new ATOM 92 N LYS A 6 -1.065 -6.018 5.145 1.00 6.04 N ATOM 93 CA LYS A 6 -2.118 -6.513 6.075 1.00 6.12 C ATOM 94 C LYS A 6 -3.435 -5.826 5.827 1.00 6.57 C ATOM 95 O LYS A 6 -3.473 -4.684 5.425 1.00 5.76 O ATOM 96 CB LYS A 6 -1.620 -6.269 7.498 1.00 7.45 C ATOM 97 CG LYS A 6 -2.413 -6.972 8.631 1.00 11.12 C ATOM 98 CD LYS A 6 -2.119 -8.403 8.903 1.00 14.54 C ATOM 99 CE LYS A 6 -0.737 -8.661 9.488 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.533 -10.097 9.605 1.00 20.55 N ATOM 0 H LYS A 6 -0.483 -5.281 5.543 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.296 -7.576 5.915 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.580 -6.591 7.557 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.633 -5.195 7.686 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.244 -6.415 9.553 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.474 -6.887 8.398 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.870 -8.791 9.591 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.218 -8.965 7.974 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.030 -8.223 8.850 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.647 -8.187 10.465 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.428 -10.284 9.956 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.228 -10.493 10.270 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.653 -10.542 8.673 1.00 20.55 H new ATOM 114 N THR A 7 -4.631 -6.475 6.049 1.00 7.41 N ATOM 115 CA THR A 7 -5.945 -5.860 5.821 1.00 7.48 C ATOM 116 C THR A 7 -6.725 -5.872 7.088 1.00 8.75 C ATOM 117 O THR A 7 -6.450 -6.667 7.953 1.00 8.58 O ATOM 118 CB THR A 7 -6.775 -6.532 4.761 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.361 -7.790 5.185 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.902 -6.901 3.608 1.00 9.17 C ATOM 0 H THR A 7 -4.686 -7.435 6.390 1.00 7.41 H new ATOM 0 HA THR A 7 -5.735 -4.849 5.471 1.00 7.48 H new ATOM 0 HB THR A 7 -7.561 -5.816 4.521 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.887 -8.170 4.450 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.502 -7.388 2.839 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.444 -6.002 3.196 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.122 -7.583 3.946 1.00 9.17 H new ATOM 128 N LEU A 8 -7.774 -5.031 7.191 1.00 9.84 N ATOM 129 CA LEU A 8 -8.696 -4.766 8.317 1.00 14.15 C ATOM 130 C LEU A 8 -9.206 -6.081 9.041 1.00 17.37 C ATOM 131 O LEU A 8 -9.098 -6.155 10.246 1.00 17.01 O ATOM 132 CB LEU A 8 -9.860 -3.868 7.854 1.00 16.63 C ATOM 133 CG LEU A 8 -11.022 -3.620 8.864 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.557 -2.987 10.170 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.050 -2.672 8.292 1.00 18.59 C ATOM 0 H LEU A 8 -8.026 -4.451 6.391 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.126 -4.231 9.077 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.447 -2.900 7.572 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.286 -4.307 6.952 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.436 -4.610 9.054 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.413 -2.841 10.829 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.834 -3.643 10.655 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.091 -2.024 9.962 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.848 -2.518 9.019 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.577 -1.717 8.065 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.468 -3.096 7.379 1.00 18.59 H new ATOM 147 N THR A 9 -9.631 -7.110 8.299 1.00 18.33 N ATOM 148 CA THR A 9 -10.210 -8.345 8.819 1.00 19.24 C ATOM 149 C THR A 9 -9.192 -9.396 9.072 1.00 19.48 C ATOM 150 O THR A 9 -9.530 -10.462 9.637 1.00 23.14 O ATOM 151 CB THR A 9 -11.351 -8.892 7.949 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.951 -9.150 6.675 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.397 -7.730 7.932 1.00 19.70 C ATOM 0 H THR A 9 -9.577 -7.101 7.280 1.00 18.33 H new ATOM 0 HA THR A 9 -10.643 -8.067 9.780 1.00 19.24 H new ATOM 0 HB THR A 9 -11.732 -9.834 8.344 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.708 -9.497 6.159 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.258 -8.024 7.331 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.721 -7.517 8.951 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.942 -6.837 7.502 1.00 19.70 H new ATOM 161 N GLY A 10 -7.914 -9.196 8.708 1.00 19.43 N ATOM 162 CA GLY A 10 -6.840 -10.052 9.182 1.00 18.74 C ATOM 163 C GLY A 10 -6.140 -10.899 8.241 1.00 17.62 C ATOM 164 O GLY A 10 -5.360 -11.786 8.618 1.00 19.74 O ATOM 0 H GLY A 10 -7.611 -8.446 8.087 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.099 -9.412 9.661 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.253 -10.697 9.958 1.00 18.74 H new ATOM 168 N LYS A 11 -6.420 -10.720 6.938 1.00 13.56 N ATOM 169 CA LYS A 11 -5.667 -11.202 5.867 1.00 11.91 C ATOM 170 C LYS A 11 -4.265 -10.564 5.739 1.00 10.18 C ATOM 171 O LYS A 11 -4.088 -9.376 6.022 1.00 9.10 O ATOM 172 CB LYS A 11 -6.407 -10.989 4.547 1.00 13.43 C ATOM 173 CG LYS A 11 -5.929 -11.929 3.376 1.00 16.69 C ATOM 174 CD LYS A 11 -6.968 -11.999 2.292 1.00 17.92 C ATOM 175 CE LYS A 11 -6.554 -12.824 1.136 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.630 -12.769 0.063 1.00 21.93 N ATOM 0 H LYS A 11 -7.240 -10.196 6.632 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.529 -12.262 6.078 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.473 -11.147 4.712 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.283 -9.951 4.238 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.991 -11.556 2.964 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.732 -12.929 3.763 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.890 -12.406 2.708 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.192 -10.989 1.947 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.608 -12.460 0.736 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.392 -13.855 1.451 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.586 -13.631 -0.517 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.565 -12.701 0.513 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.475 -11.937 -0.541 1.00 21.93 H new ATOM 190 N THR A 12 -3.263 -11.342 5.286 1.00 9.63 N ATOM 191 CA THR A 12 -2.011 -10.746 4.839 1.00 9.85 C ATOM 192 C THR A 12 -1.843 -11.093 3.412 1.00 11.66 C ATOM 193 O THR A 12 -1.907 -12.317 3.059 1.00 12.33 O ATOM 194 CB THR A 12 -0.692 -11.224 5.583 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.903 -11.204 6.957 1.00 10.91 O ATOM 196 CG2 THR A 12 0.423 -10.302 5.199 1.00 9.63 C ATOM 0 H THR A 12 -3.302 -12.359 5.224 1.00 9.63 H new ATOM 0 HA THR A 12 -2.107 -9.682 5.053 1.00 9.85 H new ATOM 0 HB THR A 12 -0.432 -12.243 5.295 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.356 -11.897 7.382 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.340 -10.612 5.699 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.569 -10.337 4.119 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.173 -9.284 5.498 1.00 9.63 H new ATOM 204 N ILE A 13 -1.561 -10.092 2.565 1.00 10.42 N ATOM 205 CA ILE A 13 -1.160 -10.315 1.180 1.00 11.84 C ATOM 206 C ILE A 13 0.350 -10.108 1.026 1.00 10.55 C ATOM 207 O ILE A 13 1.031 -9.319 1.715 1.00 11.92 O ATOM 208 CB ILE A 13 -1.979 -9.563 0.077 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.583 -8.032 0.021 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.466 -9.889 0.384 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.727 -7.155 -0.605 1.00 16.46 C ATOM 0 H ILE A 13 -1.606 -9.107 2.827 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.415 -11.357 0.984 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.763 -9.889 -0.940 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -1.362 -7.677 1.028 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.672 -7.914 -0.566 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.105 -9.396 -0.348 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.620 -10.967 0.333 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.718 -9.533 1.383 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.415 -6.111 -0.625 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.930 -7.493 -1.621 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.631 -7.252 -0.003 1.00 16.46 H new ATOM 223 N THR A 14 0.941 -10.933 0.146 1.00 9.39 N ATOM 224 CA THR A 14 2.303 -10.932 -0.229 1.00 9.63 C ATOM 225 C THR A 14 2.470 -10.436 -1.591 1.00 11.20 C ATOM 226 O THR A 14 2.062 -11.018 -2.567 1.00 11.63 O ATOM 227 CB THR A 14 2.988 -12.315 -0.199 1.00 10.38 C ATOM 228 OG1 THR A 14 2.836 -12.937 1.071 1.00 16.30 O ATOM 229 CG2 THR A 14 4.470 -12.167 -0.540 1.00 11.66 C ATOM 0 H THR A 14 0.412 -11.658 -0.338 1.00 9.39 H new ATOM 0 HA THR A 14 2.771 -10.291 0.518 1.00 9.63 H new ATOM 0 HB THR A 14 2.508 -12.951 -0.943 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.286 -12.398 1.755 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.948 -13.146 -0.517 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.573 -11.736 -1.536 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.948 -11.513 0.190 1.00 11.66 H new ATOM 237 N LEU A 15 3.214 -9.352 -1.763 1.00 8.29 N ATOM 238 CA LEU A 15 3.383 -8.708 -3.008 1.00 9.03 C ATOM 239 C LEU A 15 4.775 -8.903 -3.581 1.00 8.59 C ATOM 240 O LEU A 15 5.701 -9.272 -2.837 1.00 7.79 O ATOM 241 CB LEU A 15 3.150 -7.181 -2.862 1.00 11.08 C ATOM 242 CG LEU A 15 1.702 -6.784 -2.418 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.670 -5.274 -2.252 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.607 -7.249 -3.335 1.00 15.27 C ATOM 0 H LEU A 15 3.722 -8.902 -1.001 1.00 8.29 H new ATOM 0 HA LEU A 15 2.654 -9.158 -3.682 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.860 -6.786 -2.136 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.369 -6.700 -3.816 1.00 11.08 H new ATOM 0 HG LEU A 15 1.493 -7.299 -1.480 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.672 -4.963 -1.942 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.395 -4.976 -1.494 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.920 -4.798 -3.200 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.357 -6.926 -2.943 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.757 -6.822 -4.327 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.626 -8.337 -3.402 1.00 15.27 H new ATOM 256 N GLU A 16 4.978 -8.612 -4.922 1.00 11.04 N ATOM 257 CA GLU A 16 6.204 -8.481 -5.663 1.00 11.50 C ATOM 258 C GLU A 16 6.207 -7.089 -6.274 1.00 10.13 C ATOM 259 O GLU A 16 5.267 -6.781 -7.029 1.00 9.83 O ATOM 260 CB GLU A 16 6.353 -9.549 -6.718 1.00 17.22 C ATOM 261 CG GLU A 16 7.614 -9.541 -7.592 1.00 23.33 C ATOM 262 CD GLU A 16 8.916 -9.637 -6.832 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.089 -10.537 -5.989 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.830 -8.846 -7.130 1.00 28.90 O ATOM 0 H GLU A 16 4.175 -8.456 -5.531 1.00 11.04 H new ATOM 0 HA GLU A 16 7.057 -8.613 -4.998 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.301 -10.517 -6.220 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.490 -9.484 -7.380 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.557 -10.373 -8.293 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.622 -8.626 -8.184 1.00 23.33 H new ATOM 271 N VAL A 17 7.167 -6.212 -5.840 1.00 8.99 N ATOM 272 CA VAL A 17 7.126 -4.806 -6.232 1.00 8.85 C ATOM 273 C VAL A 17 8.532 -4.414 -6.604 1.00 8.04 C ATOM 274 O VAL A 17 9.543 -5.102 -6.445 1.00 8.99 O ATOM 275 CB VAL A 17 6.691 -3.867 -5.079 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.306 -4.306 -4.640 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.658 -3.893 -3.808 1.00 10.54 C ATOM 0 H VAL A 17 7.949 -6.466 -5.236 1.00 8.99 H new ATOM 0 HA VAL A 17 6.405 -4.704 -7.043 1.00 8.85 H new ATOM 0 HB VAL A 17 6.720 -2.846 -5.461 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.963 -3.667 -3.826 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.616 -4.226 -5.480 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.343 -5.340 -4.298 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.280 -3.208 -3.049 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.695 -4.903 -3.399 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.660 -3.586 -4.107 1.00 10.54 H new ATOM 287 N GLU A 18 8.712 -3.201 -7.167 1.00 7.29 N ATOM 288 CA GLU A 18 10.032 -2.630 -7.512 1.00 7.08 C ATOM 289 C GLU A 18 10.227 -1.397 -6.675 1.00 6.45 C ATOM 290 O GLU A 18 9.291 -0.634 -6.466 1.00 5.28 O ATOM 291 CB GLU A 18 10.069 -2.296 -9.016 1.00 10.28 C ATOM 292 CG GLU A 18 9.902 -3.535 -9.891 1.00 12.65 C ATOM 293 CD GLU A 18 9.643 -2.985 -11.285 1.00 14.15 C ATOM 294 OE1 GLU A 18 8.478 -2.582 -11.494 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.503 -3.014 -12.198 1.00 14.33 O ATOM 0 H GLU A 18 7.935 -2.582 -7.398 1.00 7.29 H new ATOM 0 HA GLU A 18 10.836 -3.338 -7.310 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.278 -1.582 -9.247 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.015 -1.811 -9.255 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.796 -4.159 -9.870 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.073 -4.154 -9.548 1.00 12.65 H new ATOM 302 N PRO A 19 11.447 -1.087 -6.250 1.00 7.24 N ATOM 303 CA PRO A 19 11.692 -0.067 -5.203 1.00 7.07 C ATOM 304 C PRO A 19 11.505 1.308 -5.860 1.00 6.65 C ATOM 305 O PRO A 19 11.287 2.279 -5.132 1.00 6.37 O ATOM 306 CB PRO A 19 13.115 -0.302 -4.833 1.00 7.61 C ATOM 307 CG PRO A 19 13.782 -0.881 -6.037 1.00 8.16 C ATOM 308 CD PRO A 19 12.660 -1.788 -6.558 1.00 7.49 C ATOM 0 HA PRO A 19 11.036 -0.116 -4.334 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.596 0.629 -4.535 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.187 -0.984 -3.985 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.070 -0.118 -6.760 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.684 -1.438 -5.785 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.756 -1.959 -7.630 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.685 -2.765 -6.075 1.00 7.49 H new ATOM 316 N SER A 20 11.521 1.368 -7.193 1.00 6.80 N ATOM 317 CA SER A 20 11.266 2.556 -7.955 1.00 6.28 C ATOM 318 C SER A 20 9.794 2.668 -8.332 1.00 8.45 C ATOM 319 O SER A 20 9.534 3.596 -9.108 1.00 7.26 O ATOM 320 CB SER A 20 12.115 2.498 -9.221 1.00 8.57 C ATOM 321 OG SER A 20 13.478 2.247 -8.906 1.00 11.13 O ATOM 0 H SER A 20 11.720 0.555 -7.776 1.00 6.80 H new ATOM 0 HA SER A 20 11.521 3.429 -7.354 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.740 1.715 -9.880 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.030 3.439 -9.764 1.00 8.57 H new ATOM 0 HG SER A 20 14.004 2.212 -9.732 1.00 11.13 H new ATOM 327 N ASP A 21 8.866 1.784 -7.859 1.00 7.50 N ATOM 328 CA ASP A 21 7.434 2.036 -8.007 1.00 7.70 C ATOM 329 C ASP A 21 6.880 3.049 -7.021 1.00 7.08 C ATOM 330 O ASP A 21 7.289 3.231 -5.863 1.00 8.11 O ATOM 331 CB ASP A 21 6.661 0.659 -7.829 1.00 11.00 C ATOM 332 CG ASP A 21 6.542 -0.038 -9.133 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.951 0.446 -10.224 1.00 14.36 O ATOM 334 OD2 ASP A 21 5.809 -1.051 -9.124 1.00 18.03 O ATOM 0 H ASP A 21 9.097 0.912 -7.383 1.00 7.50 H new ATOM 0 HA ASP A 21 7.286 2.463 -8.999 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.192 0.026 -7.118 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.669 0.842 -7.415 1.00 11.00 H new ATOM 339 N THR A 22 5.858 3.700 -7.461 1.00 5.37 N ATOM 340 CA THR A 22 5.095 4.642 -6.627 1.00 6.01 C ATOM 341 C THR A 22 4.027 3.968 -5.811 1.00 8.01 C ATOM 342 O THR A 22 3.642 2.871 -6.143 1.00 8.11 O ATOM 343 CB THR A 22 4.448 5.784 -7.482 1.00 8.92 C ATOM 344 OG1 THR A 22 3.472 5.345 -8.366 1.00 10.22 O ATOM 345 CG2 THR A 22 5.505 6.517 -8.336 1.00 9.65 C ATOM 0 H THR A 22 5.504 3.612 -8.414 1.00 5.37 H new ATOM 0 HA THR A 22 5.823 5.075 -5.941 1.00 6.01 H new ATOM 0 HB THR A 22 3.994 6.441 -6.740 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.113 6.110 -8.863 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.022 7.303 -8.917 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.258 6.959 -7.683 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.982 5.808 -9.012 1.00 9.65 H new ATOM 353 N ILE A 23 3.498 4.621 -4.761 1.00 8.32 N ATOM 354 CA ILE A 23 2.451 4.111 -3.943 1.00 9.92 C ATOM 355 C ILE A 23 1.138 3.916 -4.736 1.00 10.01 C ATOM 356 O ILE A 23 0.462 2.937 -4.606 1.00 8.71 O ATOM 357 CB ILE A 23 2.228 5.047 -2.796 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.442 5.141 -1.761 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.872 4.847 -1.980 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.856 3.860 -1.073 1.00 12.30 C ATOM 0 H ILE A 23 3.817 5.546 -4.473 1.00 8.32 H new ATOM 0 HA ILE A 23 2.751 3.130 -3.575 1.00 9.92 H new ATOM 0 HB ILE A 23 2.148 5.992 -3.333 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.309 5.537 -2.290 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.178 5.868 -0.993 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.820 5.580 -1.175 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.022 4.982 -2.649 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.846 3.842 -1.558 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.688 4.062 -0.399 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.015 3.465 -0.503 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.164 3.129 -1.820 1.00 12.30 H new ATOM 372 N GLU A 24 0.767 4.780 -5.711 1.00 9.54 N ATOM 373 CA GLU A 24 -0.225 4.580 -6.753 1.00 11.81 C ATOM 374 C GLU A 24 -0.055 3.275 -7.545 1.00 11.14 C ATOM 375 O GLU A 24 -1.046 2.581 -7.865 1.00 10.62 O ATOM 376 CB GLU A 24 -0.479 5.757 -7.719 1.00 19.24 C ATOM 377 CG GLU A 24 -1.793 5.684 -8.534 1.00 27.76 C ATOM 378 CD GLU A 24 -2.265 7.096 -8.845 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.710 7.844 -9.734 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.189 7.479 -8.043 1.00 34.80 O ATOM 0 H GLU A 24 1.197 5.702 -5.780 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.127 4.508 -6.145 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.481 6.682 -7.143 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.357 5.818 -8.416 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.632 5.129 -9.458 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.556 5.148 -7.970 1.00 27.76 H new ATOM 387 N ASN A 25 1.197 2.895 -7.954 1.00 9.43 N ATOM 388 CA ASN A 25 1.481 1.627 -8.664 1.00 10.96 C ATOM 389 C ASN A 25 1.163 0.368 -7.772 1.00 9.68 C ATOM 390 O ASN A 25 0.512 -0.543 -8.245 1.00 9.33 O ATOM 391 CB ASN A 25 2.902 1.446 -9.353 1.00 16.78 C ATOM 392 CG ASN A 25 2.876 2.068 -10.715 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.623 1.481 -11.788 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.095 3.411 -10.675 1.00 24.70 N ATOM 0 H ASN A 25 2.028 3.465 -7.796 1.00 9.43 H new ATOM 0 HA ASN A 25 0.793 1.705 -9.506 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.676 1.911 -8.743 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.150 0.387 -9.429 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.054 3.960 -11.534 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.300 3.868 -9.786 1.00 24.70 H new ATOM 401 N VAL A 26 1.582 0.462 -6.515 1.00 6.52 N ATOM 402 CA VAL A 26 1.534 -0.512 -5.499 1.00 5.53 C ATOM 403 C VAL A 26 0.075 -0.763 -5.156 1.00 4.42 C ATOM 404 O VAL A 26 -0.369 -1.880 -5.028 1.00 3.40 O ATOM 405 CB VAL A 26 2.408 -0.251 -4.270 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.106 -1.390 -3.207 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.885 -0.242 -4.642 1.00 8.12 C ATOM 0 H VAL A 26 2.004 1.326 -6.175 1.00 6.52 H new ATOM 0 HA VAL A 26 1.994 -1.416 -5.898 1.00 5.53 H new ATOM 0 HB VAL A 26 2.177 0.728 -3.851 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.716 -1.229 -2.318 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.051 -1.362 -2.933 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.343 -2.363 -3.639 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.484 -0.054 -3.751 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.159 -1.208 -5.067 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.071 0.543 -5.375 1.00 8.12 H new ATOM 417 N LYS A 27 -0.740 0.283 -5.036 1.00 2.64 N ATOM 418 CA LYS A 27 -2.166 0.138 -4.785 1.00 4.14 C ATOM 419 C LYS A 27 -2.924 -0.567 -5.877 1.00 5.58 C ATOM 420 O LYS A 27 -3.797 -1.384 -5.581 1.00 4.11 O ATOM 421 CB LYS A 27 -2.760 1.420 -4.242 1.00 3.97 C ATOM 422 CG LYS A 27 -2.134 1.845 -2.930 1.00 7.45 C ATOM 423 CD LYS A 27 -2.756 3.137 -2.417 1.00 9.02 C ATOM 424 CE LYS A 27 -2.818 4.271 -3.444 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.412 5.484 -2.970 1.00 15.47 N ATOM 0 H LYS A 27 -0.428 1.251 -5.110 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.292 -0.580 -3.975 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.630 2.215 -4.976 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.833 1.288 -4.102 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.264 1.056 -2.189 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.061 1.983 -3.064 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.767 2.924 -2.070 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.187 3.479 -1.552 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.806 4.489 -3.784 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.379 3.925 -4.312 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.966 6.296 -3.442 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.430 5.477 -3.181 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.272 5.561 -1.942 1.00 15.47 H new ATOM 439 N ALA A 28 -2.616 -0.289 -7.155 1.00 6.61 N ATOM 440 CA ALA A 28 -3.147 -1.091 -8.286 1.00 7.74 C ATOM 441 C ALA A 28 -2.743 -2.555 -8.289 1.00 9.17 C ATOM 442 O ALA A 28 -3.505 -3.450 -8.676 1.00 11.45 O ATOM 443 CB ALA A 28 -2.559 -0.448 -9.581 1.00 7.68 C ATOM 0 H ALA A 28 -2.006 0.479 -7.437 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.234 -1.078 -8.210 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.915 -0.996 -10.453 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.881 0.591 -9.650 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.470 -0.489 -9.546 1.00 7.68 H new ATOM 449 N LYS A 29 -1.554 -2.887 -7.737 1.00 8.96 N ATOM 450 CA LYS A 29 -1.130 -4.271 -7.601 1.00 7.90 C ATOM 451 C LYS A 29 -1.931 -4.958 -6.563 1.00 6.92 C ATOM 452 O LYS A 29 -2.164 -6.191 -6.566 1.00 6.87 O ATOM 453 CB LYS A 29 0.441 -4.307 -7.491 1.00 10.28 C ATOM 454 CG LYS A 29 1.183 -5.649 -7.649 1.00 14.94 C ATOM 455 CD LYS A 29 1.189 -6.103 -9.129 1.00 19.69 C ATOM 456 CE LYS A 29 2.000 -7.431 -9.479 1.00 22.63 C ATOM 457 NZ LYS A 29 3.444 -7.129 -9.288 1.00 24.98 N ATOM 0 H LYS A 29 -0.882 -2.206 -7.383 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.344 -4.876 -8.482 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.837 -3.625 -8.243 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.710 -3.898 -6.517 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.207 -5.548 -7.291 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.704 -6.409 -7.033 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.155 -6.246 -9.443 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.596 -5.290 -9.730 1.00 19.69 H new ATOM 0 HE2 LYS A 29 1.690 -8.252 -8.833 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.805 -7.742 -10.505 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.016 -7.870 -9.741 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.666 -6.208 -9.718 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.661 -7.097 -8.271 1.00 24.98 H new ATOM 471 N ILE A 30 -2.453 -4.187 -5.570 1.00 4.57 N ATOM 472 CA ILE A 30 -3.446 -4.581 -4.614 1.00 5.58 C ATOM 473 C ILE A 30 -4.870 -4.487 -5.095 1.00 7.26 C ATOM 474 O ILE A 30 -5.709 -5.223 -4.548 1.00 9.46 O ATOM 475 CB ILE A 30 -3.355 -3.636 -3.376 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.937 -3.742 -2.713 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.485 -3.852 -2.361 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.700 -2.762 -1.552 1.00 2.00 C ATOM 0 H ILE A 30 -2.153 -3.222 -5.434 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.230 -5.628 -4.400 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.491 -2.618 -3.740 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.796 -4.759 -2.347 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.179 -3.570 -3.477 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.361 -3.163 -1.526 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.446 -3.670 -2.842 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.452 -4.877 -1.993 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.695 -2.905 -1.154 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.805 -1.739 -1.912 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.432 -2.946 -0.765 1.00 2.00 H new ATOM 490 N GLN A 31 -5.110 -3.784 -6.134 1.00 7.06 N ATOM 491 CA GLN A 31 -6.453 -3.788 -6.780 1.00 8.67 C ATOM 492 C GLN A 31 -6.684 -5.166 -7.485 1.00 10.90 C ATOM 493 O GLN A 31 -7.729 -5.786 -7.437 1.00 9.63 O ATOM 494 CB GLN A 31 -6.687 -2.576 -7.764 1.00 9.12 C ATOM 495 CG GLN A 31 -8.038 -2.290 -8.311 1.00 10.76 C ATOM 496 CD GLN A 31 -8.107 -1.156 -9.269 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.109 -0.763 -9.898 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.319 -0.759 -9.602 1.00 14.76 N ATOM 0 H GLN A 31 -4.423 -3.183 -6.589 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.196 -3.653 -5.994 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.353 -1.676 -7.248 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.021 -2.721 -8.615 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.409 -3.187 -8.807 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.713 -2.084 -7.480 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.127 -1.091 -9.075 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.449 -0.120 -10.386 1.00 14.76 H new ATOM 507 N ASP A 32 -5.632 -5.681 -8.061 1.00 10.93 N ATOM 508 CA ASP A 32 -5.619 -7.027 -8.643 1.00 14.01 C ATOM 509 C ASP A 32 -5.823 -8.091 -7.531 1.00 14.04 C ATOM 510 O ASP A 32 -6.671 -8.977 -7.643 1.00 13.39 O ATOM 511 CB ASP A 32 -4.289 -7.164 -9.360 1.00 18.01 C ATOM 512 CG ASP A 32 -4.341 -8.384 -10.227 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.151 -8.378 -11.209 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.566 -9.359 -9.931 1.00 26.29 O ATOM 0 H ASP A 32 -4.744 -5.187 -8.149 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.433 -7.184 -9.351 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.091 -6.278 -9.964 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.476 -7.246 -8.638 1.00 18.01 H new ATOM 519 N LYS A 33 -5.077 -8.028 -6.442 1.00 14.22 N ATOM 520 CA LYS A 33 -5.333 -8.885 -5.234 1.00 14.00 C ATOM 521 C LYS A 33 -6.668 -8.898 -4.501 1.00 12.37 C ATOM 522 O LYS A 33 -7.126 -9.964 -4.187 1.00 12.17 O ATOM 523 CB LYS A 33 -4.359 -8.536 -4.057 1.00 18.62 C ATOM 524 CG LYS A 33 -2.837 -8.478 -4.413 1.00 24.00 C ATOM 525 CD LYS A 33 -2.111 -9.813 -4.008 1.00 27.61 C ATOM 526 CE LYS A 33 -2.406 -11.015 -4.923 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.705 -12.160 -4.305 1.00 30.06 N ATOM 0 H LYS A 33 -4.280 -7.399 -6.342 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.230 -9.837 -5.754 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.651 -7.570 -3.646 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.498 -9.274 -3.267 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.717 -8.305 -5.482 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.372 -7.637 -3.899 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.035 -9.636 -4.000 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.399 -10.071 -2.989 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -3.478 -11.202 -4.993 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.047 -10.835 -5.936 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.863 -13.014 -4.877 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.686 -11.959 -4.258 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.072 -12.314 -3.344 1.00 30.06 H new ATOM 541 N GLU A 34 -7.174 -7.677 -4.205 1.00 10.11 N ATOM 542 CA GLU A 34 -8.286 -7.508 -3.308 1.00 10.07 C ATOM 543 C GLU A 34 -9.363 -6.587 -3.795 1.00 9.32 C ATOM 544 O GLU A 34 -10.319 -6.395 -3.076 1.00 11.61 O ATOM 545 CB GLU A 34 -7.832 -6.998 -1.894 1.00 14.77 C ATOM 546 CG GLU A 34 -7.091 -8.016 -1.030 1.00 18.75 C ATOM 547 CD GLU A 34 -8.105 -9.115 -0.605 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.091 -8.811 0.112 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.802 -10.296 -0.857 1.00 21.95 O ATOM 0 H GLU A 34 -6.810 -6.805 -4.589 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.706 -8.512 -3.249 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.189 -6.128 -2.031 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.714 -6.660 -1.350 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.263 -8.456 -1.585 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.664 -7.531 -0.152 1.00 18.75 H new ATOM 556 N GLY A 35 -9.299 -6.058 -5.049 1.00 7.22 N ATOM 557 CA GLY A 35 -10.442 -5.497 -5.729 1.00 6.29 C ATOM 558 C GLY A 35 -10.780 -4.043 -5.350 1.00 6.93 C ATOM 559 O GLY A 35 -11.722 -3.485 -5.978 1.00 7.41 O ATOM 0 H GLY A 35 -8.439 -6.021 -5.596 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.265 -5.544 -6.803 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.311 -6.121 -5.522 1.00 6.29 H new ATOM 563 N ILE A 36 -10.064 -3.345 -4.451 1.00 5.86 N ATOM 564 CA ILE A 36 -10.376 -1.971 -4.106 1.00 6.07 C ATOM 565 C ILE A 36 -9.597 -0.977 -4.979 1.00 6.36 C ATOM 566 O ILE A 36 -8.363 -1.022 -4.954 1.00 6.18 O ATOM 567 CB ILE A 36 -9.862 -1.716 -2.657 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.458 -2.648 -1.548 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.217 -0.241 -2.374 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.660 -2.493 -0.270 1.00 9.49 C ATOM 0 H ILE A 36 -9.260 -3.726 -3.953 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.450 -1.832 -4.232 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.796 -1.939 -2.613 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.503 -2.395 -1.369 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.434 -3.686 -1.880 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.889 0.026 -1.369 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.717 0.399 -3.101 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.296 -0.105 -2.452 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.077 -3.142 0.500 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.621 -2.768 -0.454 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.707 -1.457 0.065 1.00 9.49 H new ATOM 582 N PRO A 37 -10.129 -0.024 -5.747 1.00 8.65 N ATOM 583 CA PRO A 37 -9.431 1.089 -6.408 1.00 9.18 C ATOM 584 C PRO A 37 -8.260 1.861 -5.758 1.00 9.85 C ATOM 585 O PRO A 37 -8.359 2.088 -4.560 1.00 8.51 O ATOM 586 CB PRO A 37 -10.516 2.021 -6.973 1.00 11.42 C ATOM 587 CG PRO A 37 -11.739 1.088 -7.196 1.00 9.27 C ATOM 588 CD PRO A 37 -11.578 0.046 -6.050 1.00 8.33 C ATOM 0 HA PRO A 37 -8.811 0.578 -7.145 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.751 2.827 -6.278 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.195 2.487 -7.905 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.682 1.630 -7.123 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.717 0.617 -8.179 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.145 0.347 -5.169 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -11.958 -0.929 -6.355 1.00 8.33 H new ATOM 596 N PRO A 38 -7.160 2.327 -6.466 1.00 8.71 N ATOM 597 CA PRO A 38 -6.092 3.194 -5.863 1.00 9.08 C ATOM 598 C PRO A 38 -6.582 4.407 -5.067 1.00 9.28 C ATOM 599 O PRO A 38 -6.083 4.607 -3.950 1.00 6.50 O ATOM 600 CB PRO A 38 -5.135 3.473 -7.078 1.00 10.31 C ATOM 601 CG PRO A 38 -5.321 2.269 -8.030 1.00 10.81 C ATOM 602 CD PRO A 38 -6.749 1.839 -7.764 1.00 12.00 C ATOM 0 HA PRO A 38 -5.565 2.704 -5.045 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.392 4.409 -7.574 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.099 3.559 -6.751 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.173 2.552 -9.072 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.612 1.470 -7.813 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.409 2.230 -8.538 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.826 0.752 -7.798 1.00 12.00 H new ATOM 610 N ASP A 39 -7.684 5.117 -5.493 1.00 11.20 N ATOM 611 CA ASP A 39 -8.229 6.347 -4.917 1.00 14.96 C ATOM 612 C ASP A 39 -9.271 5.989 -3.927 1.00 13.99 C ATOM 613 O ASP A 39 -9.826 6.883 -3.246 1.00 13.75 O ATOM 614 CB ASP A 39 -8.836 7.247 -6.033 1.00 24.16 C ATOM 615 CG ASP A 39 -7.874 7.798 -6.975 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.505 7.118 -7.987 1.00 34.22 O ATOM 617 OD2 ASP A 39 -7.352 8.929 -6.829 1.00 35.55 O ATOM 0 H ASP A 39 -8.229 4.805 -6.297 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.431 6.905 -4.428 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.571 6.664 -6.588 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.372 8.071 -5.562 1.00 24.16 H new ATOM 622 N GLN A 40 -9.459 4.690 -3.644 1.00 11.60 N ATOM 623 CA GLN A 40 -10.174 4.181 -2.509 1.00 10.76 C ATOM 624 C GLN A 40 -9.284 3.463 -1.531 1.00 8.01 C ATOM 625 O GLN A 40 -9.766 2.865 -0.559 1.00 8.96 O ATOM 626 CB GLN A 40 -11.237 3.174 -2.880 1.00 11.14 C ATOM 627 CG GLN A 40 -12.237 3.770 -3.930 1.00 14.85 C ATOM 628 CD GLN A 40 -13.502 2.879 -4.149 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.724 1.801 -3.469 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.447 3.275 -5.018 1.00 18.16 N ATOM 0 H GLN A 40 -9.092 3.949 -4.240 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.612 5.077 -2.070 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.768 2.279 -3.288 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.782 2.870 -1.986 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.551 4.761 -3.602 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -11.721 3.898 -4.882 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.308 4.120 -5.572 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.303 2.731 -5.123 1.00 18.16 H new ATOM 639 N GLN A 41 -7.962 3.522 -1.765 1.00 6.52 N ATOM 640 CA GLN A 41 -6.979 2.748 -0.997 1.00 3.87 C ATOM 641 C GLN A 41 -6.091 3.743 -0.276 1.00 4.79 C ATOM 642 O GLN A 41 -5.475 4.618 -0.882 1.00 6.34 O ATOM 643 CB GLN A 41 -6.133 1.931 -1.965 1.00 4.20 C ATOM 644 CG GLN A 41 -6.762 0.540 -2.147 1.00 3.20 C ATOM 645 CD GLN A 41 -5.708 -0.397 -2.743 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.602 -0.551 -2.169 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.984 -0.932 -3.933 1.00 7.13 N ATOM 0 H GLN A 41 -7.548 4.107 -2.491 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.467 2.078 -0.290 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.067 2.441 -2.926 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.116 1.835 -1.584 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.113 0.155 -1.189 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.630 0.600 -2.804 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.897 -0.780 -4.361 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.282 -1.493 -4.415 1.00 7.13 H new ATOM 656 N ARG A 42 -6.047 3.617 1.059 1.00 5.73 N ATOM 657 CA ARG A 42 -5.143 4.325 1.903 1.00 6.97 C ATOM 658 C ARG A 42 -4.260 3.263 2.500 1.00 7.15 C ATOM 659 O ARG A 42 -4.645 2.165 2.822 1.00 7.33 O ATOM 660 CB ARG A 42 -5.943 5.144 2.900 1.00 13.23 C ATOM 661 CG ARG A 42 -5.168 5.877 3.973 1.00 21.27 C ATOM 662 CD ARG A 42 -6.081 6.845 4.725 1.00 26.14 C ATOM 663 NE ARG A 42 -6.127 8.042 3.847 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.146 8.852 3.903 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.253 8.562 4.621 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.068 9.974 3.268 1.00 36.39 N ATOM 0 H ARG A 42 -6.670 2.993 1.572 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.511 5.054 1.396 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.526 5.878 2.344 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.653 4.479 3.391 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.734 5.160 4.671 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.340 6.424 3.522 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.074 6.422 4.877 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.683 7.087 5.711 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.361 8.230 3.200 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.309 7.686 5.141 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.033 9.219 4.643 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.225 10.205 2.742 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.849 10.629 3.293 1.00 36.39 H new ATOM 680 N LEU A 43 -2.930 3.576 2.577 1.00 4.65 N ATOM 681 CA LEU A 43 -1.852 2.663 2.987 1.00 3.51 C ATOM 682 C LEU A 43 -1.101 3.277 4.157 1.00 5.56 C ATOM 683 O LEU A 43 -0.541 4.350 4.065 1.00 4.19 O ATOM 684 CB LEU A 43 -0.708 2.400 1.862 1.00 3.74 C ATOM 685 CG LEU A 43 -1.077 1.468 0.675 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.203 0.944 0.024 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.033 0.358 1.107 1.00 6.41 C ATOM 0 H LEU A 43 -2.583 4.507 2.344 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.358 1.723 3.206 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.409 3.365 1.453 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.166 1.981 2.361 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.621 2.038 -0.078 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.054 0.290 -0.809 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.795 1.783 -0.342 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.782 0.385 0.759 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.268 -0.273 0.250 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.563 -0.245 1.884 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.951 0.799 1.496 1.00 6.41 H new ATOM 699 N ILE A 44 -1.142 2.580 5.279 1.00 4.58 N ATOM 700 CA ILE A 44 -0.506 3.076 6.545 1.00 5.55 C ATOM 701 C ILE A 44 0.719 2.232 6.793 1.00 5.46 C ATOM 702 O ILE A 44 0.718 1.000 6.723 1.00 6.04 O ATOM 703 CB ILE A 44 -1.463 3.010 7.719 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.197 4.347 7.772 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.844 2.797 9.122 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.340 4.506 6.803 1.00 13.90 C ATOM 0 H ILE A 44 -1.599 1.672 5.367 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.233 4.126 6.438 1.00 5.55 H new ATOM 0 HB ILE A 44 -2.081 2.132 7.532 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.579 4.490 8.783 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.476 5.144 7.588 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.637 2.769 9.869 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.296 1.855 9.139 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.162 3.617 9.347 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.788 5.492 6.928 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.969 4.402 5.783 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -4.090 3.739 6.996 1.00 13.90 H new ATOM 718 N PHE A 45 1.805 2.935 7.147 1.00 6.75 N ATOM 719 CA PHE A 45 3.114 2.372 7.406 1.00 4.70 C ATOM 720 C PHE A 45 3.752 2.979 8.665 1.00 6.34 C ATOM 721 O PHE A 45 4.165 4.133 8.612 1.00 5.45 O ATOM 722 CB PHE A 45 3.945 2.525 6.186 1.00 5.51 C ATOM 723 CG PHE A 45 5.366 1.889 6.342 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.552 0.516 6.595 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.512 2.722 6.227 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.835 -0.031 6.782 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.727 2.204 6.494 1.00 6.64 C ATOM 728 CZ PHE A 45 7.938 0.862 6.715 1.00 6.84 C ATOM 0 H PHE A 45 1.782 3.948 7.262 1.00 6.75 H new ATOM 0 HA PHE A 45 3.028 1.307 7.624 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.434 2.061 5.342 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.049 3.585 5.952 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.690 -0.132 6.647 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.410 3.755 5.930 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.975 -1.085 6.969 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.574 2.873 6.537 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.943 0.487 6.838 1.00 6.84 H new ATOM 738 N ALA A 46 3.734 2.269 9.812 1.00 6.53 N ATOM 739 CA ALA A 46 4.354 2.695 11.078 1.00 7.15 C ATOM 740 C ALA A 46 3.829 4.028 11.596 1.00 9.00 C ATOM 741 O ALA A 46 4.483 5.023 11.799 1.00 11.15 O ATOM 742 CB ALA A 46 5.845 2.470 11.076 1.00 8.99 C ATOM 0 H ALA A 46 3.275 1.361 9.882 1.00 6.53 H new ATOM 0 HA ALA A 46 4.014 2.030 11.872 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.264 2.797 12.028 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.053 1.409 10.934 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.298 3.040 10.265 1.00 8.99 H new ATOM 748 N GLY A 47 2.502 4.065 11.879 1.00 9.35 N ATOM 749 CA GLY A 47 1.847 5.148 12.491 1.00 11.68 C ATOM 750 C GLY A 47 1.522 6.278 11.531 1.00 11.14 C ATOM 751 O GLY A 47 1.073 7.322 11.929 1.00 13.93 O ATOM 0 H GLY A 47 1.875 3.291 11.662 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.923 4.793 12.948 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.473 5.534 13.296 1.00 11.68 H new ATOM 755 N LYS A 48 1.764 6.121 10.221 1.00 10.47 N ATOM 756 CA LYS A 48 1.551 7.224 9.291 1.00 8.82 C ATOM 757 C LYS A 48 1.010 6.754 7.995 1.00 7.68 C ATOM 758 O LYS A 48 1.237 5.599 7.596 1.00 6.47 O ATOM 759 CB LYS A 48 2.804 8.128 9.030 1.00 9.74 C ATOM 760 CG LYS A 48 3.927 7.469 8.249 1.00 14.14 C ATOM 761 CD LYS A 48 5.007 8.453 7.761 1.00 16.32 C ATOM 762 CE LYS A 48 5.936 7.739 6.793 1.00 20.04 C ATOM 763 NZ LYS A 48 6.907 8.700 6.318 1.00 23.92 N ATOM 0 H LYS A 48 2.100 5.258 9.795 1.00 10.47 H new ATOM 0 HA LYS A 48 0.819 7.851 9.801 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.483 9.019 8.491 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.198 8.461 9.990 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.396 6.711 8.876 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.503 6.953 7.388 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.541 9.309 7.272 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.573 8.839 8.609 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.435 6.905 7.287 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.371 7.323 5.959 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.557 8.236 5.652 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.416 9.480 5.836 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.447 9.075 7.124 1.00 23.92 H new ATOM 777 N GLN A 49 0.454 7.635 7.186 1.00 8.89 N ATOM 778 CA GLN A 49 -0.128 7.481 5.825 1.00 7.18 C ATOM 779 C GLN A 49 0.967 7.683 4.772 1.00 8.23 C ATOM 780 O GLN A 49 1.843 8.504 4.951 1.00 9.70 O ATOM 781 CB GLN A 49 -1.320 8.444 5.529 1.00 11.67 C ATOM 782 CG GLN A 49 -2.471 8.456 6.532 1.00 15.82 C ATOM 783 CD GLN A 49 -3.577 9.425 6.148 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.515 10.052 5.085 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.650 9.455 6.979 1.00 20.67 N ATOM 0 H GLN A 49 0.380 8.607 7.487 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.533 6.470 5.780 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.926 9.457 5.455 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.727 8.188 4.551 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.886 7.452 6.613 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.086 8.723 7.516 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.640 8.914 7.844 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.466 10.018 6.738 1.00 20.67 H new ATOM 794 N LEU A 50 1.011 6.820 3.698 1.00 6.51 N ATOM 795 CA LEU A 50 1.866 7.012 2.533 1.00 7.41 C ATOM 796 C LEU A 50 1.184 7.703 1.391 1.00 8.27 C ATOM 797 O LEU A 50 -0.039 7.914 1.467 1.00 8.34 O ATOM 798 CB LEU A 50 2.508 5.757 1.988 1.00 7.13 C ATOM 799 CG LEU A 50 3.169 4.928 3.114 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.825 3.635 2.611 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.169 5.798 3.871 1.00 9.11 C ATOM 0 H LEU A 50 0.440 5.976 3.645 1.00 6.51 H new ATOM 0 HA LEU A 50 2.650 7.649 2.944 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.756 5.152 1.482 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.257 6.024 1.242 1.00 7.13 H new ATOM 0 HG LEU A 50 2.377 4.609 3.791 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.269 3.102 3.451 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.072 3.005 2.139 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.601 3.879 1.885 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.634 5.212 4.664 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.937 6.152 3.183 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.651 6.652 4.307 1.00 9.11 H new ATOM 813 N GLU A 51 1.862 8.235 0.386 1.00 9.43 N ATOM 814 CA GLU A 51 1.308 9.145 -0.669 1.00 11.90 C ATOM 815 C GLU A 51 1.676 8.788 -2.131 1.00 11.49 C ATOM 816 O GLU A 51 2.768 8.246 -2.410 1.00 9.88 O ATOM 817 CB GLU A 51 1.649 10.654 -0.406 1.00 16.56 C ATOM 818 CG GLU A 51 0.532 11.601 -1.087 1.00 26.06 C ATOM 819 CD GLU A 51 0.914 13.079 -1.111 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.955 13.725 -0.045 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.256 13.595 -2.205 1.00 32.13 O ATOM 0 H GLU A 51 2.857 8.052 0.256 1.00 9.43 H new ATOM 0 HA GLU A 51 0.234 8.983 -0.575 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.693 10.844 0.666 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.633 10.889 -0.812 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.356 11.264 -2.108 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.408 11.486 -0.547 1.00 26.06 H new ATOM 828 N ASP A 52 0.595 8.893 -2.961 1.00 12.71 N ATOM 829 CA ASP A 52 0.408 8.343 -4.278 1.00 16.56 C ATOM 830 C ASP A 52 1.577 8.375 -5.204 1.00 15.83 C ATOM 831 O ASP A 52 2.076 7.316 -5.535 1.00 17.21 O ATOM 832 CB ASP A 52 -0.738 9.125 -4.940 1.00 21.05 C ATOM 833 CG ASP A 52 -1.939 8.807 -4.132 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.374 7.632 -4.066 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.627 9.699 -3.621 1.00 28.37 O ATOM 0 H ASP A 52 -0.227 9.421 -2.667 1.00 12.71 H new ATOM 0 HA ASP A 52 0.213 7.282 -4.119 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.536 10.196 -4.941 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.871 8.825 -5.979 1.00 21.05 H new ATOM 840 N GLY A 53 2.077 9.609 -5.526 1.00 15.00 N ATOM 841 CA GLY A 53 3.163 9.758 -6.473 1.00 11.77 C ATOM 842 C GLY A 53 4.586 9.443 -6.007 1.00 11.10 C ATOM 843 O GLY A 53 5.517 9.516 -6.820 1.00 11.25 O ATOM 0 H GLY A 53 1.732 10.486 -5.135 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.946 9.120 -7.330 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.152 10.787 -6.831 1.00 11.77 H new ATOM 847 N ARG A 54 4.741 9.057 -4.701 1.00 8.53 N ATOM 848 CA ARG A 54 6.046 8.953 -4.113 1.00 9.05 C ATOM 849 C ARG A 54 6.517 7.487 -4.173 1.00 8.96 C ATOM 850 O ARG A 54 5.745 6.556 -4.029 1.00 11.60 O ATOM 851 CB ARG A 54 6.042 9.418 -2.630 1.00 7.97 C ATOM 852 CG ARG A 54 5.913 10.999 -2.530 1.00 9.62 C ATOM 853 CD ARG A 54 6.589 11.446 -1.227 1.00 12.20 C ATOM 854 NE ARG A 54 6.530 12.939 -1.170 1.00 18.23 N ATOM 855 CZ ARG A 54 7.571 13.658 -0.854 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.808 13.151 -0.740 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.400 14.941 -0.509 1.00 23.38 N ATOM 0 H ARG A 54 3.970 8.824 -4.075 1.00 8.53 H new ATOM 0 HA ARG A 54 6.721 9.598 -4.676 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.214 8.948 -2.100 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.960 9.093 -2.140 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.387 11.475 -3.388 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.865 11.298 -2.538 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.083 11.011 -0.365 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.623 11.103 -1.196 1.00 12.20 H new ATOM 0 HE ARG A 54 5.650 13.409 -1.384 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.969 12.157 -0.903 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.588 13.759 -0.490 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.464 15.345 -0.496 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.206 15.514 -0.260 1.00 23.38 H new ATOM 871 N THR A 55 7.778 7.326 -4.586 1.00 9.05 N ATOM 872 CA THR A 55 8.464 5.988 -4.658 1.00 9.03 C ATOM 873 C THR A 55 8.844 5.415 -3.243 1.00 8.15 C ATOM 874 O THR A 55 9.207 6.097 -2.330 1.00 5.91 O ATOM 875 CB THR A 55 9.785 6.057 -5.440 1.00 11.15 C ATOM 876 OG1 THR A 55 10.645 7.063 -4.975 1.00 11.95 O ATOM 877 CG2 THR A 55 9.486 6.536 -6.850 1.00 11.71 C ATOM 0 H THR A 55 8.368 8.103 -4.883 1.00 9.05 H new ATOM 0 HA THR A 55 7.736 5.345 -5.153 1.00 9.03 H new ATOM 0 HB THR A 55 10.230 5.066 -5.352 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.528 6.679 -4.790 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.413 6.591 -7.420 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.803 5.838 -7.334 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.026 7.523 -6.809 1.00 11.71 H new ATOM 885 N LEU A 56 8.747 4.099 -3.238 1.00 6.91 N ATOM 886 CA LEU A 56 9.213 3.286 -2.136 1.00 8.29 C ATOM 887 C LEU A 56 10.573 3.588 -1.687 1.00 8.05 C ATOM 888 O LEU A 56 10.936 3.661 -0.481 1.00 10.17 O ATOM 889 CB LEU A 56 9.084 1.769 -2.556 1.00 6.60 C ATOM 890 CG LEU A 56 7.608 1.373 -2.787 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.588 -0.065 -3.294 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.666 1.652 -1.636 1.00 8.64 C ATOM 0 H LEU A 56 8.340 3.563 -4.004 1.00 6.91 H new ATOM 0 HA LEU A 56 8.586 3.516 -1.275 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.657 1.592 -3.466 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.515 1.137 -1.780 1.00 6.60 H new ATOM 0 HG LEU A 56 7.188 2.033 -3.546 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.558 -0.375 -3.467 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.148 -0.130 -4.227 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.044 -0.719 -2.551 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.658 1.336 -1.906 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.995 1.102 -0.755 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.665 2.720 -1.417 1.00 8.64 H new ATOM 904 N SER A 57 11.463 3.824 -2.717 1.00 8.92 N ATOM 905 CA SER A 57 12.865 4.197 -2.516 1.00 9.00 C ATOM 906 C SER A 57 13.105 5.525 -1.787 1.00 9.44 C ATOM 907 O SER A 57 14.045 5.592 -1.003 1.00 10.91 O ATOM 908 CB SER A 57 13.548 4.247 -3.904 1.00 10.32 C ATOM 909 OG SER A 57 12.947 5.255 -4.719 1.00 13.59 O ATOM 0 H SER A 57 11.201 3.754 -3.700 1.00 8.92 H new ATOM 0 HA SER A 57 13.289 3.439 -1.858 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.612 4.453 -3.786 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.463 3.277 -4.393 1.00 10.32 H new ATOM 0 HG SER A 57 13.390 5.276 -5.593 1.00 13.59 H new ATOM 915 N ASP A 58 12.289 6.561 -2.038 1.00 9.11 N ATOM 916 CA ASP A 58 12.260 7.885 -1.465 1.00 7.91 C ATOM 917 C ASP A 58 11.802 7.799 -0.022 1.00 9.12 C ATOM 918 O ASP A 58 12.435 8.401 0.859 1.00 8.61 O ATOM 919 CB ASP A 58 11.215 8.761 -2.318 1.00 8.41 C ATOM 920 CG ASP A 58 11.075 10.198 -1.976 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.120 10.947 -2.082 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.006 10.661 -1.563 1.00 11.70 O ATOM 0 H ASP A 58 11.550 6.461 -2.734 1.00 9.11 H new ATOM 0 HA ASP A 58 13.250 8.341 -1.491 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.500 8.693 -3.368 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.233 8.297 -2.223 1.00 8.41 H new ATOM 927 N TYR A 59 10.810 6.950 0.336 1.00 7.97 N ATOM 928 CA TYR A 59 10.343 6.736 1.681 1.00 8.45 C ATOM 929 C TYR A 59 11.251 5.852 2.550 1.00 10.98 C ATOM 930 O TYR A 59 11.095 5.846 3.772 1.00 12.95 O ATOM 931 CB TYR A 59 8.978 6.044 1.676 1.00 7.94 C ATOM 932 CG TYR A 59 7.796 6.907 1.438 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.658 8.065 2.260 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.774 6.554 0.575 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.492 8.872 2.124 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.663 7.390 0.423 1.00 6.52 C ATOM 937 CZ TYR A 59 5.482 8.523 1.221 1.00 6.76 C ATOM 938 OH TYR A 59 4.267 9.272 1.084 1.00 7.63 O ATOM 0 H TYR A 59 10.309 6.384 -0.349 1.00 7.97 H new ATOM 0 HA TYR A 59 10.316 7.740 2.106 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.993 5.268 0.911 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.847 5.543 2.635 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.425 8.326 2.974 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.834 5.631 0.017 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.386 9.763 2.725 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.926 7.154 -0.330 1.00 6.52 H new ATOM 0 HH TYR A 59 4.190 9.606 0.166 1.00 7.63 H new ATOM 948 N ASN A 60 12.173 5.126 1.846 1.00 12.38 N ATOM 949 CA ASN A 60 13.074 4.261 2.515 1.00 13.94 C ATOM 950 C ASN A 60 12.305 3.015 3.026 1.00 14.16 C ATOM 951 O ASN A 60 12.528 2.594 4.187 1.00 14.26 O ATOM 952 CB ASN A 60 13.947 4.875 3.606 1.00 19.23 C ATOM 953 CG ASN A 60 14.449 6.260 3.238 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.230 6.478 2.321 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.153 7.305 4.100 1.00 24.09 N ATOM 0 H ASN A 60 12.276 5.152 0.832 1.00 12.38 H new ATOM 0 HA ASN A 60 13.811 3.985 1.761 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.377 4.933 4.533 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.799 4.222 3.796 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.582 8.220 3.959 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.506 7.159 4.875 1.00 24.09 H new ATOM 962 N ILE A 61 11.384 2.421 2.229 1.00 11.08 N ATOM 963 CA ILE A 61 10.714 1.186 2.575 1.00 11.78 C ATOM 964 C ILE A 61 11.410 0.151 1.777 1.00 13.74 C ATOM 965 O ILE A 61 11.323 0.104 0.544 1.00 14.60 O ATOM 966 CB ILE A 61 9.239 1.249 2.224 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.638 2.367 3.051 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.405 -0.024 2.501 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.282 2.826 2.513 1.00 11.42 C ATOM 0 H ILE A 61 11.098 2.803 1.328 1.00 11.08 H new ATOM 0 HA ILE A 61 10.755 0.978 3.644 1.00 11.78 H new ATOM 0 HB ILE A 61 9.198 1.392 1.144 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.522 2.031 4.081 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.325 3.213 3.067 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.369 0.149 2.208 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.811 -0.857 1.927 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.446 -0.262 3.564 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.894 3.628 3.141 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.400 3.189 1.492 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.584 1.988 2.522 1.00 11.42 H new ATOM 981 N GLN A 62 12.178 -0.690 2.492 1.00 13.97 N ATOM 982 CA GLN A 62 12.868 -1.802 1.852 1.00 15.52 C ATOM 983 C GLN A 62 12.198 -3.173 2.060 1.00 13.94 C ATOM 984 O GLN A 62 11.258 -3.240 2.832 1.00 12.15 O ATOM 985 CB GLN A 62 14.396 -1.852 2.302 1.00 19.53 C ATOM 986 CG GLN A 62 15.143 -0.527 2.147 1.00 26.38 C ATOM 987 CD GLN A 62 16.636 -0.604 2.574 1.00 30.61 C ATOM 988 OE1 GLN A 62 17.019 -1.337 3.474 1.00 33.23 O ATOM 989 NE2 GLN A 62 17.461 0.333 2.055 1.00 32.71 N ATOM 0 H GLN A 62 12.330 -0.616 3.498 1.00 13.97 H new ATOM 0 HA GLN A 62 12.805 -1.604 0.782 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.445 -2.163 3.346 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.910 -2.615 1.718 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.087 -0.207 1.107 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.642 0.236 2.743 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.134 0.941 1.304 1.00 32.71 H new ATOM 0 HE22 GLN A 62 18.410 0.432 2.414 1.00 32.71 H new ATOM 998 N LYS A 63 12.648 -4.220 1.300 1.00 11.73 N ATOM 999 CA LYS A 63 12.141 -5.583 1.347 1.00 11.97 C ATOM 1000 C LYS A 63 11.623 -6.101 2.661 1.00 10.41 C ATOM 1001 O LYS A 63 12.178 -5.899 3.724 1.00 9.59 O ATOM 1002 CB LYS A 63 13.195 -6.549 0.862 1.00 13.73 C ATOM 1003 CG LYS A 63 14.326 -6.893 1.801 1.00 16.98 C ATOM 1004 CD LYS A 63 15.325 -7.882 1.181 1.00 20.19 C ATOM 1005 CE LYS A 63 16.169 -8.648 2.194 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.428 -9.110 3.412 1.00 25.97 N ATOM 0 H LYS A 63 13.401 -4.108 0.621 1.00 11.73 H new ATOM 0 HA LYS A 63 11.266 -5.524 0.699 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.695 -7.478 0.586 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.630 -6.139 -0.049 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.851 -5.980 2.083 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.917 -7.321 2.716 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.776 -8.598 0.569 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.990 -7.336 0.512 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.604 -9.517 1.700 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.997 -8.013 2.509 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.002 -9.811 3.922 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.241 -8.297 4.033 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.526 -9.542 3.127 1.00 25.97 H new ATOM 1020 N GLU A 64 10.469 -6.869 2.633 1.00 10.04 N ATOM 1021 CA GLU A 64 9.920 -7.651 3.713 1.00 10.94 C ATOM 1022 C GLU A 64 9.353 -6.773 4.802 1.00 9.74 C ATOM 1023 O GLU A 64 9.148 -7.181 5.945 1.00 9.42 O ATOM 1024 CB GLU A 64 10.835 -8.777 4.257 1.00 18.31 C ATOM 1025 CG GLU A 64 11.403 -9.714 3.100 1.00 24.16 C ATOM 1026 CD GLU A 64 12.394 -10.692 3.564 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.032 -11.466 4.511 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.488 -10.942 2.904 1.00 31.72 O ATOM 0 H GLU A 64 9.898 -6.933 1.790 1.00 10.04 H new ATOM 0 HA GLU A 64 9.094 -8.202 3.264 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.668 -8.333 4.802 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.275 -9.383 4.969 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.573 -10.245 2.634 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.855 -9.090 2.329 1.00 24.16 H new ATOM 1035 N SER A 65 9.010 -5.494 4.489 1.00 6.85 N ATOM 1036 CA SER A 65 8.265 -4.574 5.319 1.00 6.90 C ATOM 1037 C SER A 65 6.781 -4.929 5.351 1.00 4.72 C ATOM 1038 O SER A 65 6.334 -5.635 4.481 1.00 3.91 O ATOM 1039 CB SER A 65 8.322 -3.065 4.952 1.00 7.28 C ATOM 1040 OG SER A 65 9.606 -2.454 5.096 1.00 10.56 O ATOM 0 H SER A 65 9.272 -5.077 3.596 1.00 6.85 H new ATOM 0 HA SER A 65 8.774 -4.698 6.275 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.994 -2.946 3.919 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.609 -2.528 5.577 1.00 7.28 H new ATOM 0 HG SER A 65 10.177 -2.710 4.342 1.00 10.56 H new ATOM 1046 N THR A 66 5.991 -4.483 6.386 1.00 4.48 N ATOM 1047 CA THR A 66 4.617 -4.801 6.527 1.00 3.80 C ATOM 1048 C THR A 66 3.834 -3.457 6.558 1.00 4.60 C ATOM 1049 O THR A 66 4.178 -2.560 7.321 1.00 5.33 O ATOM 1050 CB THR A 66 4.232 -5.622 7.814 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.928 -6.871 7.788 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.770 -5.930 7.848 1.00 3.40 C ATOM 0 H THR A 66 6.345 -3.885 7.132 1.00 4.48 H new ATOM 0 HA THR A 66 4.364 -5.447 5.686 1.00 3.80 H new ATOM 0 HB THR A 66 4.497 -5.024 8.686 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.697 -7.391 8.586 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.539 -6.498 8.749 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.202 -5.000 7.849 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.502 -6.518 6.970 1.00 3.40 H new ATOM 1060 N LEU A 67 2.745 -3.328 5.782 1.00 4.17 N ATOM 1061 CA LEU A 67 1.961 -2.139 5.681 1.00 3.85 C ATOM 1062 C LEU A 67 0.528 -2.544 5.968 1.00 3.80 C ATOM 1063 O LEU A 67 0.142 -3.681 5.918 1.00 5.54 O ATOM 1064 CB LEU A 67 2.055 -1.587 4.236 1.00 7.18 C ATOM 1065 CG LEU A 67 3.535 -1.459 3.799 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.995 -2.547 2.826 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.671 -0.111 3.073 1.00 11.66 C ATOM 0 H LEU A 67 2.395 -4.088 5.198 1.00 4.17 H new ATOM 0 HA LEU A 67 2.307 -1.372 6.374 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.524 -2.249 3.552 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.568 -0.614 4.180 1.00 7.18 H new ATOM 0 HG LEU A 67 4.150 -1.549 4.695 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.042 -2.386 2.569 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.882 -3.525 3.294 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.389 -2.506 1.921 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.702 0.023 2.745 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.010 -0.096 2.206 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.398 0.697 3.752 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.290 -1.526 6.200 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.657 -1.608 6.694 1.00 4.17 C ATOM 1081 C HIS A 68 -2.621 -1.166 5.650 1.00 5.32 C ATOM 1082 O HIS A 68 -2.492 0.029 5.268 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.847 -0.736 7.978 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.887 -1.339 9.065 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.480 -1.000 9.131 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.077 -2.148 10.139 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.009 -1.601 10.179 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.113 -2.318 10.840 1.00 16.30 N ATOM 0 H HIS A 68 0.002 -0.562 6.038 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.851 -2.651 6.945 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.603 0.308 7.779 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.883 -0.762 8.316 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.976 -0.393 8.479 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.021 -2.597 10.411 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.048 -1.518 10.464 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.640 -1.949 5.219 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.467 -1.542 4.155 1.00 3.97 C ATOM 1098 C LEU A 69 -5.830 -1.022 4.618 1.00 5.07 C ATOM 1099 O LEU A 69 -6.649 -1.779 5.230 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.818 -2.777 3.251 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.757 -2.420 2.053 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.281 -1.208 1.144 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.039 -3.677 1.254 1.00 9.96 C ATOM 0 H LEU A 69 -3.875 -2.858 5.618 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.907 -0.760 3.642 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.895 -3.209 2.864 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.296 -3.542 3.863 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.682 -2.039 2.485 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.004 -1.047 0.345 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.204 -0.306 1.751 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.307 -1.438 0.711 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.694 -3.436 0.416 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.102 -4.086 0.876 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.525 -4.414 1.894 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.123 0.235 4.457 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.296 0.974 4.915 1.00 6.26 C ATOM 1117 C VAL A 70 -8.120 1.400 3.700 1.00 9.22 C ATOM 1118 O VAL A 70 -7.635 1.803 2.644 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.934 2.137 5.800 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.084 2.945 6.441 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.066 1.589 6.978 1.00 8.54 C ATOM 0 H VAL A 70 -5.485 0.847 3.948 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.903 0.319 5.541 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.436 2.833 5.126 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.669 3.749 7.049 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.711 3.370 5.657 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.685 2.287 7.069 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.788 2.411 7.638 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.639 0.851 7.539 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.165 1.122 6.580 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.420 1.247 3.824 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.376 1.685 2.813 1.00 16.06 C ATOM 1133 C LEU A 71 -10.763 3.157 3.049 1.00 18.09 C ATOM 1134 O LEU A 71 -10.950 3.686 4.157 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.625 0.658 2.862 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.865 0.951 2.085 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.738 0.680 0.577 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.119 0.167 2.567 1.00 19.57 C ATOM 0 H LEU A 71 -9.855 0.811 4.637 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.954 1.661 1.808 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.258 -0.314 2.532 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.915 0.551 3.907 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.996 2.018 2.268 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.681 0.918 0.084 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.944 1.301 0.161 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.499 -0.371 0.415 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.976 0.437 1.950 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.934 -0.904 2.482 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.327 0.417 3.607 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.713 3.920 1.975 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.917 5.348 1.982 1.00 25.83 C ATOM 1152 C ARG A 72 -12.272 5.616 1.282 1.00 27.74 C ATOM 1153 O ARG A 72 -12.559 4.916 0.280 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.824 6.015 1.192 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.925 7.576 1.149 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.823 8.143 0.259 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.875 9.626 0.220 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.840 10.345 -0.184 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.779 9.790 -0.685 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -7.883 11.689 -0.210 1.00 35.02 N ATOM 0 H ARG A 72 -10.523 3.547 1.045 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.910 5.736 3.001 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.861 5.736 1.619 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.843 5.633 0.171 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.902 7.876 0.769 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.836 7.983 2.156 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.850 7.820 0.630 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.927 7.746 -0.751 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.729 10.102 0.511 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.729 8.775 -0.775 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -5.996 10.369 -0.988 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.728 12.178 0.086 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -7.071 12.219 -0.526 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.034 6.591 1.845 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.321 6.867 1.259 1.00 30.76 C ATOM 1176 C LEU A 73 -14.349 8.219 0.668 1.00 32.18 C ATOM 1177 O LEU A 73 -13.550 9.082 0.928 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.370 7.082 2.420 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.679 5.898 3.308 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.540 6.306 4.575 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.497 4.795 2.603 1.00 29.11 C ATOM 0 H LEU A 73 -12.779 7.155 2.655 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.519 6.055 0.560 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.010 7.893 3.053 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.304 7.419 1.971 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.692 5.528 3.586 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.736 5.422 5.182 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.991 7.038 5.167 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.486 6.739 4.248 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.681 3.977 3.300 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.449 5.207 2.266 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.939 4.421 1.744 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.453 8.433 -0.108 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.759 9.674 -0.793 1.00 35.33 C ATOM 1195 C ARG A 74 -15.863 10.885 0.160 1.00 36.22 C ATOM 1196 O ARG A 74 -16.408 10.786 1.241 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.101 9.530 -1.529 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.948 8.631 -2.843 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.095 9.406 -3.857 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.866 8.528 -5.069 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.237 8.982 -6.157 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.802 10.231 -6.297 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.246 8.198 -7.204 1.00 41.93 N ATOM 0 H ARG A 74 -16.158 7.712 -0.262 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.936 9.861 -1.482 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.838 9.082 -0.862 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.476 10.516 -1.802 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.477 7.679 -2.599 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.927 8.404 -3.265 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.598 10.328 -4.148 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.142 9.690 -3.411 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.201 7.565 -5.055 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.942 10.907 -5.546 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.328 10.513 -7.155 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.717 7.294 -7.160 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.782 8.490 -8.064 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.353 12.060 -0.225 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.431 13.275 0.572 1.00 36.07 C ATOM 1219 C GLY A 75 -14.254 13.391 1.567 1.00 36.16 C ATOM 1220 O GLY A 75 -14.341 13.623 2.788 1.00 36.26 O ATOM 0 H GLY A 75 -14.869 12.189 -1.113 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.434 14.142 -0.088 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.373 13.289 1.121 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.041 13.121 1.061 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.883 13.265 1.931 1.00 36.19 C ATOM 1226 C GLY A 76 -10.685 12.685 1.204 1.00 36.20 C ATOM 1227 O GLY A 76 -10.637 11.444 1.008 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.731 13.428 0.855 1.00 0.00 O ATOM 0 H GLY A 76 -12.848 12.818 0.106 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.713 14.315 2.171 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.047 12.745 2.875 1.00 36.19 H new TER 1232 GLY A 76