USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 126:sc= 1.04 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.788 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.02 K(o=1,f=-1) USER MOD Set 3.1: A 7 THR OG1 : rot 169:sc= -1.23 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 161:sc= 1.24 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 160:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.14) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.42 (180deg=2.17) USER MOD Single : A 2 GLN : amide:sc= -0.228 K(o=-0.23,f=-0.78) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc=-0.000965 (180deg=-0.0131) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00741 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.4 (180deg=1.26) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= 0.323 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.21) USER MOD Single : A 41 GLN : amide:sc= 0.183 K(o=0.18,f=-3.2!) 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=-0.7) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.0242 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -157:sc= 0.544 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0847 X(o=-0.085,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.370 -7.776 -5.118 1.00 9.67 N ATOM 2 CA MET A 1 11.380 -7.672 -3.666 1.00 10.38 C ATOM 3 C MET A 1 9.970 -7.957 -3.035 1.00 9.62 C ATOM 4 O MET A 1 8.991 -7.304 -3.356 1.00 9.62 O ATOM 5 CB MET A 1 11.818 -6.240 -3.255 1.00 13.77 C ATOM 6 CG MET A 1 11.874 -6.054 -1.708 1.00 16.29 C ATOM 7 SD MET A 1 12.641 -4.450 -1.386 1.00 17.17 S ATOM 8 CE MET A 1 11.274 -3.326 -1.591 1.00 16.11 C ATOM 0 H1 MET A 1 12.342 -7.697 -5.478 1.00 9.67 H new ATOM 0 H2 MET A 1 10.970 -8.695 -5.398 1.00 9.67 H new ATOM 0 H3 MET A 1 10.790 -7.010 -5.517 1.00 9.67 H new ATOM 0 HA MET A 1 12.078 -8.422 -3.295 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.800 -6.028 -3.679 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.124 -5.515 -3.680 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.872 -6.094 -1.280 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.450 -6.855 -1.245 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.559 -2.337 -1.233 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.007 -3.267 -2.646 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.418 -3.686 -1.020 1.00 16.11 H new ATOM 20 N GLN A 2 9.860 -8.912 -2.059 1.00 9.27 N ATOM 21 CA GLN A 2 8.661 -9.189 -1.373 1.00 9.07 C ATOM 22 C GLN A 2 8.385 -8.228 -0.230 1.00 8.72 C ATOM 23 O GLN A 2 9.281 -7.925 0.501 1.00 8.22 O ATOM 24 CB GLN A 2 8.711 -10.659 -0.799 1.00 14.46 C ATOM 25 CG GLN A 2 7.619 -11.094 0.269 1.00 17.01 C ATOM 26 CD GLN A 2 7.842 -12.520 0.722 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.021 -13.392 0.508 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.019 -12.785 1.398 1.00 19.49 N ATOM 0 H GLN A 2 10.643 -9.492 -1.759 1.00 9.27 H new ATOM 0 HA GLN A 2 7.855 -9.072 -2.097 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.642 -11.346 -1.642 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.692 -10.805 -0.348 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.659 -10.425 1.129 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.623 -10.998 -0.164 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.691 -12.036 1.565 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.215 -13.729 1.730 1.00 19.49 H new ATOM 37 N ILE A 3 7.125 -7.767 -0.069 1.00 5.87 N ATOM 38 CA ILE A 3 6.608 -7.036 1.036 1.00 5.07 C ATOM 39 C ILE A 3 5.186 -7.483 1.340 1.00 4.01 C ATOM 40 O ILE A 3 4.552 -8.064 0.512 1.00 4.61 O ATOM 41 CB ILE A 3 6.677 -5.510 0.854 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.752 -4.953 -0.297 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.093 -4.970 0.628 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.590 -3.449 -0.432 1.00 10.83 C ATOM 0 H ILE A 3 6.413 -7.926 -0.782 1.00 5.87 H new ATOM 0 HA ILE A 3 7.252 -7.261 1.886 1.00 5.07 H new ATOM 0 HB ILE A 3 6.306 -5.148 1.813 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.137 -5.331 -1.244 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.759 -5.383 -0.162 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.055 -3.887 0.509 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.718 -5.219 1.485 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.514 -5.419 -0.271 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.926 -3.228 -1.267 1.00 10.83 H new ATOM 0 HD12 ILE A 3 5.165 -3.045 0.487 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.563 -2.993 -0.612 1.00 10.83 H new ATOM 56 N PHE A 4 4.780 -7.260 2.583 1.00 4.55 N ATOM 57 CA PHE A 4 3.518 -7.779 3.165 1.00 4.68 C ATOM 58 C PHE A 4 2.663 -6.653 3.596 1.00 5.30 C ATOM 59 O PHE A 4 3.141 -5.712 4.130 1.00 5.58 O ATOM 60 CB PHE A 4 3.751 -8.613 4.439 1.00 4.83 C ATOM 61 CG PHE A 4 4.685 -9.766 4.184 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.304 -10.780 3.295 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.938 -9.758 4.864 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.097 -11.955 3.259 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.755 -10.889 4.694 1.00 10.61 C ATOM 66 CZ PHE A 4 6.308 -11.946 3.959 1.00 8.90 C ATOM 0 H PHE A 4 5.322 -6.701 3.242 1.00 4.55 H new ATOM 0 HA PHE A 4 3.064 -8.391 2.386 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.164 -7.976 5.221 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.797 -8.991 4.806 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.437 -10.670 2.660 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.244 -8.925 5.479 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.777 -12.828 2.709 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.736 -10.920 5.145 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.926 -12.830 3.914 1.00 8.90 H new ATOM 76 N VAL A 5 1.397 -6.709 3.283 1.00 4.44 N ATOM 77 CA VAL A 5 0.304 -5.766 3.591 1.00 3.87 C ATOM 78 C VAL A 5 -0.769 -6.330 4.492 1.00 4.93 C ATOM 79 O VAL A 5 -1.456 -7.334 4.216 1.00 6.84 O ATOM 80 CB VAL A 5 -0.403 -5.231 2.360 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.554 -4.235 2.714 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.638 -4.567 1.482 1.00 9.13 C ATOM 0 H VAL A 5 1.045 -7.500 2.744 1.00 4.44 H new ATOM 0 HA VAL A 5 0.834 -4.964 4.106 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.880 -6.059 1.835 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.026 -3.883 1.797 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.296 -4.741 3.332 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.145 -3.385 3.260 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.160 -4.171 0.586 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.111 -3.753 2.031 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.394 -5.299 1.196 1.00 9.13 H new ATOM 92 N LYS A 6 -1.032 -5.709 5.672 1.00 6.04 N ATOM 93 CA LYS A 6 -1.980 -6.153 6.659 1.00 6.12 C ATOM 94 C LYS A 6 -3.281 -5.367 6.611 1.00 6.57 C ATOM 95 O LYS A 6 -3.350 -4.189 6.909 1.00 5.76 O ATOM 96 CB LYS A 6 -1.417 -6.069 8.098 1.00 7.45 C ATOM 97 CG LYS A 6 -0.120 -6.837 8.309 1.00 11.12 C ATOM 98 CD LYS A 6 -0.269 -8.333 8.226 1.00 14.54 C ATOM 99 CE LYS A 6 1.091 -9.022 8.408 1.00 18.84 C ATOM 100 NZ LYS A 6 0.946 -10.520 8.450 1.00 20.55 N ATOM 0 H LYS A 6 -0.554 -4.851 5.947 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.178 -7.195 6.408 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.250 -5.022 8.350 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.167 -6.448 8.792 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.606 -6.513 7.563 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.288 -6.577 9.286 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.963 -8.678 8.992 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.696 -8.608 7.262 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.755 -8.742 7.590 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.557 -8.674 9.330 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.865 -10.963 8.251 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.619 -10.811 9.393 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.254 -10.822 7.735 1.00 20.55 H new ATOM 114 N THR A 7 -4.341 -5.990 6.084 1.00 7.41 N ATOM 115 CA THR A 7 -5.689 -5.345 6.015 1.00 7.48 C ATOM 116 C THR A 7 -6.275 -5.151 7.433 1.00 8.75 C ATOM 117 O THR A 7 -5.816 -5.703 8.458 1.00 8.58 O ATOM 118 CB THR A 7 -6.723 -6.010 5.026 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.341 -7.106 5.696 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.964 -6.604 3.824 1.00 9.17 C ATOM 0 H THR A 7 -4.309 -6.933 5.697 1.00 7.41 H new ATOM 0 HA THR A 7 -5.510 -4.369 5.564 1.00 7.48 H new ATOM 0 HB THR A 7 -7.450 -5.264 4.704 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.106 -7.421 5.171 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.674 -7.065 3.137 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.422 -5.811 3.308 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.258 -7.357 4.175 1.00 9.17 H new ATOM 128 N LEU A 8 -7.318 -4.325 7.436 1.00 9.84 N ATOM 129 CA LEU A 8 -8.007 -3.803 8.655 1.00 14.15 C ATOM 130 C LEU A 8 -8.540 -4.978 9.442 1.00 17.37 C ATOM 131 O LEU A 8 -8.535 -5.008 10.731 1.00 17.01 O ATOM 132 CB LEU A 8 -9.288 -2.917 8.316 1.00 16.63 C ATOM 133 CG LEU A 8 -10.100 -2.318 9.470 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.467 -0.984 9.962 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.543 -1.967 9.051 1.00 18.59 C ATOM 0 H LEU A 8 -7.735 -3.978 6.572 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.273 -3.201 9.191 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.961 -2.094 7.681 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.964 -3.530 7.720 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.101 -3.081 10.249 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.062 -0.579 10.781 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.451 -1.170 10.309 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.445 -0.267 9.141 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.077 -1.546 9.903 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.520 -1.238 8.241 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.053 -2.869 8.712 1.00 18.59 H new ATOM 147 N THR A 9 -8.826 -6.110 8.795 1.00 18.33 N ATOM 148 CA THR A 9 -9.249 -7.286 9.516 1.00 19.24 C ATOM 149 C THR A 9 -8.259 -8.462 9.648 1.00 19.48 C ATOM 150 O THR A 9 -8.678 -9.549 10.074 1.00 23.14 O ATOM 151 CB THR A 9 -10.547 -7.804 8.853 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.418 -8.007 7.458 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.650 -6.817 9.144 1.00 19.70 C ATOM 0 H THR A 9 -8.770 -6.225 7.783 1.00 18.33 H new ATOM 0 HA THR A 9 -9.366 -6.942 10.544 1.00 19.24 H new ATOM 0 HB THR A 9 -10.777 -8.783 9.274 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.267 -8.335 7.095 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.577 -7.162 8.686 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.788 -6.733 10.222 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.383 -5.842 8.735 1.00 19.70 H new ATOM 161 N GLY A 10 -6.939 -8.222 9.420 1.00 19.43 N ATOM 162 CA GLY A 10 -5.923 -9.203 9.901 1.00 18.74 C ATOM 163 C GLY A 10 -5.497 -10.109 8.733 1.00 17.62 C ATOM 164 O GLY A 10 -4.641 -10.988 8.951 1.00 19.74 O ATOM 0 H GLY A 10 -6.566 -7.406 8.934 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.057 -8.678 10.304 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.336 -9.804 10.711 1.00 18.74 H new ATOM 168 N LYS A 11 -6.105 -9.881 7.504 1.00 13.56 N ATOM 169 CA LYS A 11 -5.738 -10.487 6.286 1.00 11.91 C ATOM 170 C LYS A 11 -4.450 -10.008 5.844 1.00 10.18 C ATOM 171 O LYS A 11 -4.080 -8.837 6.041 1.00 9.10 O ATOM 172 CB LYS A 11 -6.824 -10.257 5.208 1.00 13.43 C ATOM 173 CG LYS A 11 -6.560 -10.848 3.819 1.00 16.69 C ATOM 174 CD LYS A 11 -7.561 -10.358 2.759 1.00 17.92 C ATOM 175 CE LYS A 11 -7.495 -10.959 1.332 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.512 -12.424 1.378 1.00 21.93 N ATOM 0 H LYS A 11 -6.887 -9.235 7.400 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.655 -11.562 6.449 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.762 -10.669 5.579 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.969 -9.182 5.097 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.549 -10.587 3.505 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.605 -11.935 3.878 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.564 -10.537 3.146 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.442 -9.278 2.668 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.339 -10.600 0.743 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.589 -10.618 0.831 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.518 -12.802 0.409 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.666 -12.765 1.877 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.364 -12.746 1.880 1.00 21.93 H new ATOM 190 N THR A 12 -3.607 -10.880 5.258 1.00 9.63 N ATOM 191 CA THR A 12 -2.185 -10.612 4.812 1.00 9.85 C ATOM 192 C THR A 12 -2.277 -10.748 3.278 1.00 11.66 C ATOM 193 O THR A 12 -2.658 -11.774 2.752 1.00 12.33 O ATOM 194 CB THR A 12 -1.098 -11.618 5.324 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.002 -11.522 6.721 1.00 10.91 O ATOM 196 CG2 THR A 12 0.301 -11.385 4.716 1.00 9.63 C ATOM 0 H THR A 12 -3.891 -11.840 5.064 1.00 9.63 H new ATOM 0 HA THR A 12 -1.861 -9.649 5.208 1.00 9.85 H new ATOM 0 HB THR A 12 -1.422 -12.610 5.008 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.586 -12.335 7.077 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.999 -12.119 5.118 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.249 -11.489 3.632 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.645 -10.382 4.968 1.00 9.63 H new ATOM 204 N ILE A 13 -1.889 -9.719 2.512 1.00 10.42 N ATOM 205 CA ILE A 13 -1.611 -9.752 1.069 1.00 11.84 C ATOM 206 C ILE A 13 -0.090 -9.583 0.942 1.00 10.55 C ATOM 207 O ILE A 13 0.486 -8.594 1.373 1.00 11.92 O ATOM 208 CB ILE A 13 -2.298 -8.666 0.301 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.810 -8.686 0.640 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.072 -8.900 -1.237 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.601 -7.459 0.124 1.00 16.46 C ATOM 0 H ILE A 13 -1.753 -8.788 2.905 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.984 -10.686 0.649 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.889 -7.693 0.572 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.252 -9.590 0.220 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.926 -8.748 1.722 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.570 -8.112 -1.802 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.004 -8.883 -1.455 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.485 -9.868 -1.522 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.649 -7.557 0.406 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.190 -6.550 0.564 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.521 -7.405 -0.962 1.00 16.46 H new ATOM 223 N THR A 14 0.519 -10.598 0.302 1.00 9.39 N ATOM 224 CA THR A 14 1.910 -10.759 -0.125 1.00 9.63 C ATOM 225 C THR A 14 2.139 -10.178 -1.501 1.00 11.20 C ATOM 226 O THR A 14 1.421 -10.594 -2.380 1.00 11.63 O ATOM 227 CB THR A 14 2.365 -12.263 -0.217 1.00 10.38 C ATOM 228 OG1 THR A 14 2.196 -12.904 1.018 1.00 16.30 O ATOM 229 CG2 THR A 14 3.926 -12.201 -0.455 1.00 11.66 C ATOM 0 H THR A 14 -0.024 -11.422 0.043 1.00 9.39 H new ATOM 0 HA THR A 14 2.486 -10.238 0.640 1.00 9.63 H new ATOM 0 HB THR A 14 1.800 -12.788 -0.988 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.482 -13.838 0.943 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.323 -13.213 -0.531 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.132 -11.660 -1.379 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.401 -11.687 0.380 1.00 11.66 H new ATOM 237 N LEU A 15 3.071 -9.210 -1.711 1.00 8.29 N ATOM 238 CA LEU A 15 3.234 -8.586 -2.996 1.00 9.03 C ATOM 239 C LEU A 15 4.643 -8.716 -3.483 1.00 8.59 C ATOM 240 O LEU A 15 5.567 -8.773 -2.738 1.00 7.79 O ATOM 241 CB LEU A 15 2.913 -7.067 -2.916 1.00 11.08 C ATOM 242 CG LEU A 15 1.458 -6.677 -2.524 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.254 -5.240 -2.283 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.472 -7.153 -3.611 1.00 15.27 C ATOM 0 H LEU A 15 3.706 -8.865 -0.991 1.00 8.29 H new ATOM 0 HA LEU A 15 2.549 -9.089 -3.679 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.592 -6.614 -2.194 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.135 -6.621 -3.886 1.00 11.08 H new ATOM 0 HG LEU A 15 1.270 -7.177 -1.574 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.213 -5.060 -2.016 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.900 -4.913 -1.468 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.498 -4.681 -3.186 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.543 -6.876 -3.328 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.725 -6.684 -4.562 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.537 -8.236 -3.712 1.00 15.27 H new ATOM 256 N GLU A 16 4.860 -8.724 -4.854 1.00 11.04 N ATOM 257 CA GLU A 16 6.157 -8.689 -5.542 1.00 11.50 C ATOM 258 C GLU A 16 6.387 -7.326 -6.147 1.00 10.13 C ATOM 259 O GLU A 16 5.720 -6.868 -7.090 1.00 9.83 O ATOM 260 CB GLU A 16 6.108 -9.825 -6.611 1.00 17.22 C ATOM 261 CG GLU A 16 7.484 -10.073 -7.207 1.00 23.33 C ATOM 262 CD GLU A 16 8.580 -10.355 -6.136 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.338 -11.329 -5.371 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.639 -9.618 -6.115 1.00 28.86 O ATOM 0 H GLU A 16 4.081 -8.757 -5.512 1.00 11.04 H new ATOM 0 HA GLU A 16 6.994 -8.855 -4.864 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.735 -10.742 -6.155 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.409 -9.555 -7.402 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.428 -10.920 -7.891 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.778 -9.205 -7.797 1.00 23.33 H new ATOM 271 N VAL A 17 7.385 -6.546 -5.657 1.00 8.99 N ATOM 272 CA VAL A 17 7.544 -5.188 -6.117 1.00 8.85 C ATOM 273 C VAL A 17 9.035 -4.904 -6.306 1.00 8.04 C ATOM 274 O VAL A 17 9.845 -5.813 -6.228 1.00 8.99 O ATOM 275 CB VAL A 17 6.883 -4.167 -5.203 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.334 -4.447 -5.073 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.605 -4.189 -3.828 1.00 10.54 C ATOM 0 H VAL A 17 8.066 -6.847 -4.960 1.00 8.99 H new ATOM 0 HA VAL A 17 7.028 -5.087 -7.072 1.00 8.85 H new ATOM 0 HB VAL A 17 6.977 -3.168 -5.628 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.884 -3.704 -4.415 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.870 -4.388 -6.057 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.178 -5.442 -4.657 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.141 -3.461 -3.162 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.525 -5.184 -3.391 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.657 -3.937 -3.965 1.00 10.54 H new ATOM 287 N GLU A 18 9.480 -3.647 -6.458 1.00 7.29 N ATOM 288 CA GLU A 18 10.860 -3.251 -6.290 1.00 7.08 C ATOM 289 C GLU A 18 10.951 -1.872 -5.614 1.00 6.45 C ATOM 290 O GLU A 18 9.919 -1.230 -5.595 1.00 5.28 O ATOM 291 CB GLU A 18 11.524 -3.153 -7.734 1.00 10.28 C ATOM 292 CG GLU A 18 10.928 -2.042 -8.598 1.00 12.65 C ATOM 293 CD GLU A 18 11.270 -2.150 -10.042 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.481 -2.044 -10.376 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.371 -2.358 -10.906 1.00 18.17 O ATOM 0 H GLU A 18 8.866 -2.871 -6.707 1.00 7.29 H new ATOM 0 HA GLU A 18 11.372 -3.983 -5.665 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.595 -2.983 -7.623 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.404 -4.107 -8.247 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.843 -2.054 -8.490 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.275 -1.079 -8.224 1.00 12.65 H new ATOM 302 N PRO A 19 12.061 -1.384 -5.022 1.00 7.24 N ATOM 303 CA PRO A 19 11.997 -0.270 -4.039 1.00 7.07 C ATOM 304 C PRO A 19 11.865 1.056 -4.743 1.00 6.65 C ATOM 305 O PRO A 19 11.615 2.065 -4.021 1.00 6.37 O ATOM 306 CB PRO A 19 13.332 -0.490 -3.262 1.00 7.61 C ATOM 307 CG PRO A 19 14.267 -1.401 -4.106 1.00 8.16 C ATOM 308 CD PRO A 19 13.239 -2.276 -4.790 1.00 7.49 C ATOM 0 HA PRO A 19 11.136 -0.259 -3.370 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.816 0.467 -3.067 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.132 -0.950 -2.294 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.870 -0.835 -4.816 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.957 -1.975 -3.488 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.623 -2.675 -5.729 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.971 -3.130 -4.167 1.00 7.49 H new ATOM 316 N SER A 20 11.994 1.131 -6.064 1.00 6.80 N ATOM 317 CA SER A 20 11.899 2.417 -6.772 1.00 6.28 C ATOM 318 C SER A 20 10.561 2.697 -7.252 1.00 8.45 C ATOM 319 O SER A 20 10.146 3.799 -7.673 1.00 7.26 O ATOM 320 CB SER A 20 12.760 2.314 -8.039 1.00 8.57 C ATOM 321 OG SER A 20 12.447 1.175 -8.844 1.00 11.13 O ATOM 0 H SER A 20 12.163 0.327 -6.668 1.00 6.80 H new ATOM 0 HA SER A 20 12.208 3.193 -6.072 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.628 3.218 -8.634 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.811 2.271 -7.753 1.00 8.57 H new ATOM 0 HG SER A 20 13.025 1.165 -9.635 1.00 11.13 H new ATOM 327 N ASP A 21 9.714 1.676 -7.163 1.00 7.50 N ATOM 328 CA ASP A 21 8.302 1.703 -7.391 1.00 7.70 C ATOM 329 C ASP A 21 7.487 2.474 -6.327 1.00 7.08 C ATOM 330 O ASP A 21 7.938 2.821 -5.243 1.00 8.11 O ATOM 331 CB ASP A 21 7.785 0.235 -7.423 1.00 11.00 C ATOM 332 CG ASP A 21 6.393 0.101 -8.100 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.252 0.814 -9.123 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.583 -0.817 -7.703 1.00 14.36 O ATOM 0 H ASP A 21 10.038 0.743 -6.909 1.00 7.50 H new ATOM 0 HA ASP A 21 8.156 2.231 -8.333 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.504 -0.387 -7.956 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.726 -0.147 -6.404 1.00 11.00 H new ATOM 339 N THR A 22 6.319 3.008 -6.744 1.00 5.37 N ATOM 340 CA THR A 22 5.635 4.090 -6.115 1.00 6.01 C ATOM 341 C THR A 22 4.306 3.691 -5.464 1.00 8.01 C ATOM 342 O THR A 22 3.660 2.764 -5.867 1.00 8.11 O ATOM 343 CB THR A 22 5.290 5.264 -7.010 1.00 8.92 C ATOM 344 OG1 THR A 22 4.522 4.913 -8.173 1.00 10.22 O ATOM 345 CG2 THR A 22 6.597 5.952 -7.442 1.00 9.65 C ATOM 0 H THR A 22 5.829 2.660 -7.568 1.00 5.37 H new ATOM 0 HA THR A 22 6.382 4.387 -5.379 1.00 6.01 H new ATOM 0 HB THR A 22 4.656 5.932 -6.426 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.337 5.719 -8.699 1.00 10.22 H new ATOM 0 HG21 THR A 22 6.366 6.800 -8.087 1.00 9.65 H new ATOM 0 HG22 THR A 22 7.132 6.303 -6.560 1.00 9.65 H new ATOM 0 HG23 THR A 22 7.220 5.241 -7.986 1.00 9.65 H new ATOM 353 N ILE A 23 3.766 4.479 -4.550 1.00 8.32 N ATOM 354 CA ILE A 23 2.523 4.170 -3.797 1.00 9.92 C ATOM 355 C ILE A 23 1.244 4.053 -4.693 1.00 10.01 C ATOM 356 O ILE A 23 0.371 3.232 -4.435 1.00 8.71 O ATOM 357 CB ILE A 23 2.328 5.103 -2.640 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.609 5.234 -1.791 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.107 4.745 -1.850 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.276 3.884 -1.303 1.00 12.30 C ATOM 0 H ILE A 23 4.175 5.377 -4.292 1.00 8.32 H new ATOM 0 HA ILE A 23 2.669 3.169 -3.390 1.00 9.92 H new ATOM 0 HB ILE A 23 2.141 6.102 -3.034 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.347 5.789 -2.371 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.376 5.836 -0.913 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.995 5.441 -1.019 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.228 4.802 -2.492 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.208 3.731 -1.463 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.167 4.109 -0.717 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.567 3.330 -0.688 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.554 3.282 -2.168 1.00 12.30 H new ATOM 372 N GLU A 24 1.140 4.877 -5.794 1.00 9.54 N ATOM 373 CA GLU A 24 0.182 4.822 -6.898 1.00 11.81 C ATOM 374 C GLU A 24 0.131 3.397 -7.513 1.00 11.14 C ATOM 375 O GLU A 24 -0.909 2.692 -7.592 1.00 10.62 O ATOM 376 CB GLU A 24 0.613 5.884 -7.958 1.00 19.24 C ATOM 377 CG GLU A 24 -0.342 5.959 -9.174 1.00 27.76 C ATOM 378 CD GLU A 24 0.011 7.093 -10.151 1.00 32.92 C ATOM 379 OE1 GLU A 24 1.201 7.143 -10.562 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.833 7.894 -10.639 1.00 34.80 O ATOM 0 H GLU A 24 1.791 5.653 -5.916 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.823 5.046 -6.540 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.661 6.863 -7.482 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.618 5.650 -8.308 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.317 5.008 -9.707 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.363 6.099 -8.818 1.00 27.76 H new ATOM 387 N ASN A 25 1.340 2.895 -7.797 1.00 9.43 N ATOM 388 CA ASN A 25 1.534 1.585 -8.320 1.00 10.96 C ATOM 389 C ASN A 25 1.130 0.410 -7.465 1.00 9.68 C ATOM 390 O ASN A 25 0.521 -0.519 -7.966 1.00 9.33 O ATOM 391 CB ASN A 25 2.946 1.388 -8.974 1.00 16.78 C ATOM 392 CG ASN A 25 3.125 2.423 -10.097 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.249 3.102 -10.558 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.416 2.506 -10.499 1.00 24.70 N ATOM 0 H ASN A 25 2.207 3.414 -7.659 1.00 9.43 H new ATOM 0 HA ASN A 25 0.780 1.562 -9.106 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.728 1.507 -8.224 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.038 0.378 -9.374 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.682 3.169 -11.227 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.122 1.905 -10.074 1.00 24.70 H new ATOM 401 N VAL A 26 1.532 0.374 -6.168 1.00 6.52 N ATOM 402 CA VAL A 26 1.123 -0.603 -5.138 1.00 5.53 C ATOM 403 C VAL A 26 -0.389 -0.703 -4.945 1.00 4.42 C ATOM 404 O VAL A 26 -0.947 -1.787 -4.744 1.00 3.40 O ATOM 405 CB VAL A 26 1.929 -0.215 -3.886 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.629 -1.215 -2.785 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.447 -0.404 -4.177 1.00 8.12 C ATOM 0 H VAL A 26 2.185 1.065 -5.798 1.00 6.52 H new ATOM 0 HA VAL A 26 1.352 -1.628 -5.431 1.00 5.53 H new ATOM 0 HB VAL A 26 1.678 0.810 -3.613 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.194 -0.952 -1.891 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.563 -1.198 -2.559 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.914 -2.214 -3.114 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.024 -0.131 -3.293 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.642 -1.446 -4.429 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.739 0.232 -5.012 1.00 8.12 H new ATOM 417 N LYS A 27 -1.094 0.426 -4.966 1.00 2.64 N ATOM 418 CA LYS A 27 -2.536 0.420 -4.990 1.00 4.14 C ATOM 419 C LYS A 27 -3.234 -0.272 -6.115 1.00 5.58 C ATOM 420 O LYS A 27 -4.281 -0.910 -6.000 1.00 4.11 O ATOM 421 CB LYS A 27 -3.157 1.771 -4.855 1.00 3.97 C ATOM 422 CG LYS A 27 -2.954 2.294 -3.447 1.00 7.45 C ATOM 423 CD LYS A 27 -3.761 3.536 -3.073 1.00 9.02 C ATOM 424 CE LYS A 27 -3.303 4.844 -3.863 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.975 5.995 -3.443 1.00 15.47 N ATOM 0 H LYS A 27 -0.677 1.357 -4.967 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.696 -0.192 -4.103 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.713 2.458 -5.575 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.222 1.716 -5.082 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.203 1.498 -2.745 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.896 2.518 -3.313 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.816 3.350 -3.273 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.666 3.714 -2.002 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.231 4.986 -3.730 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.475 4.697 -4.929 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.662 6.807 -4.013 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.000 5.862 -3.563 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.764 6.174 -2.440 1.00 15.47 H new ATOM 439 N ALA A 28 -2.626 -0.210 -7.346 1.00 6.61 N ATOM 440 CA ALA A 28 -3.211 -0.905 -8.447 1.00 7.74 C ATOM 441 C ALA A 28 -2.889 -2.417 -8.338 1.00 9.17 C ATOM 442 O ALA A 28 -3.536 -3.288 -8.948 1.00 11.45 O ATOM 443 CB ALA A 28 -2.538 -0.368 -9.705 1.00 7.68 C ATOM 0 H ALA A 28 -1.769 0.302 -7.554 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.292 -0.766 -8.464 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.951 -0.869 -10.581 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.716 0.705 -9.783 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.466 -0.555 -9.652 1.00 7.68 H new ATOM 449 N LYS A 29 -1.825 -2.761 -7.624 1.00 8.96 N ATOM 450 CA LYS A 29 -1.326 -4.102 -7.311 1.00 7.90 C ATOM 451 C LYS A 29 -2.157 -4.780 -6.235 1.00 6.92 C ATOM 452 O LYS A 29 -2.488 -5.986 -6.349 1.00 6.87 O ATOM 453 CB LYS A 29 0.204 -3.999 -6.889 1.00 10.28 C ATOM 454 CG LYS A 29 1.039 -5.278 -7.098 1.00 14.94 C ATOM 455 CD LYS A 29 1.609 -5.298 -8.559 1.00 19.69 C ATOM 456 CE LYS A 29 2.483 -6.443 -8.863 1.00 22.63 C ATOM 457 NZ LYS A 29 2.888 -6.558 -10.264 1.00 24.98 N ATOM 0 H LYS A 29 -1.231 -2.044 -7.208 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.413 -4.727 -8.200 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.665 -3.189 -7.454 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.254 -3.721 -5.836 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.856 -5.314 -6.377 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.422 -6.160 -6.925 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.774 -5.299 -9.260 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.167 -4.377 -8.729 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.379 -6.370 -8.246 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.970 -7.360 -8.573 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.500 -7.391 -10.381 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.044 -6.662 -10.862 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.409 -5.703 -10.546 1.00 24.98 H new ATOM 471 N ILE A 30 -2.625 -4.066 -5.180 1.00 4.57 N ATOM 472 CA ILE A 30 -3.752 -4.426 -4.282 1.00 5.58 C ATOM 473 C ILE A 30 -5.040 -4.645 -5.127 1.00 7.26 C ATOM 474 O ILE A 30 -5.797 -5.584 -4.967 1.00 9.46 O ATOM 475 CB ILE A 30 -3.982 -3.380 -3.210 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.744 -3.266 -2.282 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.268 -3.672 -2.377 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.592 -4.464 -1.328 1.00 2.00 C ATOM 0 H ILE A 30 -2.203 -3.175 -4.919 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.494 -5.352 -3.767 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.131 -2.425 -3.714 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.846 -3.180 -2.893 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.820 -2.350 -1.696 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.395 -2.898 -1.620 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.135 -3.679 -3.037 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.174 -4.643 -1.891 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.708 -4.324 -0.706 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.475 -4.538 -0.693 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.486 -5.380 -1.909 1.00 2.00 H new ATOM 490 N GLN A 31 -5.381 -3.691 -6.069 1.00 7.06 N ATOM 491 CA GLN A 31 -6.557 -3.792 -7.048 1.00 8.67 C ATOM 492 C GLN A 31 -6.507 -5.139 -7.863 1.00 10.90 C ATOM 493 O GLN A 31 -7.507 -5.845 -7.972 1.00 9.63 O ATOM 494 CB GLN A 31 -6.704 -2.558 -8.102 1.00 9.12 C ATOM 495 CG GLN A 31 -7.871 -2.587 -9.084 1.00 10.76 C ATOM 496 CD GLN A 31 -7.916 -1.381 -10.051 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.868 -0.941 -10.543 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.103 -0.905 -10.470 1.00 14.76 N ATOM 0 H GLN A 31 -4.853 -2.825 -6.178 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.432 -3.752 -6.399 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.775 -1.635 -7.527 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.782 -2.503 -8.681 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.816 -3.505 -9.669 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.804 -2.622 -8.521 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.968 -1.265 -10.067 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.138 -0.184 -11.191 1.00 14.76 H new ATOM 507 N ASP A 32 -5.301 -5.464 -8.359 1.00 10.93 N ATOM 508 CA ASP A 32 -5.018 -6.651 -9.171 1.00 14.01 C ATOM 509 C ASP A 32 -5.272 -7.950 -8.443 1.00 14.04 C ATOM 510 O ASP A 32 -5.965 -8.919 -8.852 1.00 13.39 O ATOM 511 CB ASP A 32 -3.605 -6.593 -9.759 1.00 18.01 C ATOM 512 CG ASP A 32 -3.395 -7.693 -10.803 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.216 -7.877 -11.679 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.291 -8.250 -10.790 1.00 25.17 O ATOM 0 H ASP A 32 -4.474 -4.888 -8.199 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.729 -6.636 -9.997 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.438 -5.618 -10.216 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.871 -6.701 -8.960 1.00 18.01 H new ATOM 519 N LYS A 33 -4.822 -7.949 -7.164 1.00 14.22 N ATOM 520 CA LYS A 33 -5.148 -9.036 -6.224 1.00 14.00 C ATOM 521 C LYS A 33 -6.602 -9.179 -5.797 1.00 12.37 C ATOM 522 O LYS A 33 -7.179 -10.254 -5.959 1.00 12.17 O ATOM 523 CB LYS A 33 -4.310 -8.937 -4.901 1.00 18.62 C ATOM 524 CG LYS A 33 -2.828 -9.129 -4.985 1.00 24.00 C ATOM 525 CD LYS A 33 -2.313 -10.513 -4.589 1.00 27.61 C ATOM 526 CE LYS A 33 -0.785 -10.627 -4.829 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.205 -12.002 -4.484 1.00 30.06 N ATOM 0 H LYS A 33 -4.238 -7.212 -6.768 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.900 -9.911 -6.825 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.494 -7.956 -4.463 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.702 -9.676 -4.203 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.511 -8.923 -6.007 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.348 -8.387 -4.347 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.535 -10.701 -3.538 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.833 -11.277 -5.166 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.574 -10.406 -5.875 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.276 -9.869 -4.234 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.480 -11.905 -3.707 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.973 -12.639 -4.191 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.273 -12.397 -5.319 1.00 30.06 H new ATOM 541 N GLU A 34 -7.292 -8.101 -5.355 1.00 10.11 N ATOM 542 CA GLU A 34 -8.547 -8.219 -4.601 1.00 10.07 C ATOM 543 C GLU A 34 -9.668 -7.206 -4.916 1.00 9.32 C ATOM 544 O GLU A 34 -10.652 -7.017 -4.177 1.00 11.61 O ATOM 545 CB GLU A 34 -8.226 -7.949 -3.060 1.00 14.77 C ATOM 546 CG GLU A 34 -7.316 -9.063 -2.385 1.00 18.75 C ATOM 547 CD GLU A 34 -8.057 -10.405 -2.235 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.184 -10.493 -1.726 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.372 -11.404 -2.665 1.00 25.19 O ATOM 0 H GLU A 34 -6.993 -7.139 -5.512 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.908 -9.211 -4.872 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.730 -6.983 -2.967 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.165 -7.879 -2.511 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.419 -9.210 -2.986 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.990 -8.718 -1.404 1.00 18.75 H new ATOM 556 N GLY A 35 -9.555 -6.605 -6.176 1.00 7.22 N ATOM 557 CA GLY A 35 -10.575 -5.813 -6.780 1.00 6.29 C ATOM 558 C GLY A 35 -10.963 -4.504 -6.278 1.00 6.93 C ATOM 559 O GLY A 35 -11.984 -3.980 -6.681 1.00 7.41 O ATOM 0 H GLY A 35 -8.721 -6.696 -6.756 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.281 -5.671 -7.820 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.478 -6.423 -6.784 1.00 6.29 H new ATOM 563 N ILE A 36 -10.062 -3.908 -5.408 1.00 5.86 N ATOM 564 CA ILE A 36 -10.376 -2.600 -4.783 1.00 6.07 C ATOM 565 C ILE A 36 -9.793 -1.394 -5.552 1.00 6.36 C ATOM 566 O ILE A 36 -8.601 -1.353 -5.859 1.00 6.18 O ATOM 567 CB ILE A 36 -9.821 -2.553 -3.349 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.041 -3.898 -2.638 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.327 -1.358 -2.525 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.042 -4.155 -1.515 1.00 9.49 C ATOM 0 H ILE A 36 -9.160 -4.306 -5.146 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.463 -2.519 -4.798 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.747 -2.388 -3.435 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.051 -3.925 -2.230 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.971 -4.704 -3.369 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.892 -1.394 -1.526 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.035 -0.429 -3.014 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.413 -1.402 -2.449 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.253 -5.120 -1.055 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.031 -4.160 -1.922 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.128 -3.369 -0.765 1.00 9.49 H new ATOM 582 N PRO A 37 -10.644 -0.444 -5.892 1.00 8.65 N ATOM 583 CA PRO A 37 -10.279 0.801 -6.502 1.00 9.18 C ATOM 584 C PRO A 37 -9.226 1.704 -5.739 1.00 9.85 C ATOM 585 O PRO A 37 -9.364 1.870 -4.518 1.00 8.51 O ATOM 586 CB PRO A 37 -11.581 1.628 -6.629 1.00 11.42 C ATOM 587 CG PRO A 37 -12.714 0.598 -6.623 1.00 9.27 C ATOM 588 CD PRO A 37 -12.120 -0.579 -5.769 1.00 8.33 C ATOM 0 HA PRO A 37 -9.790 0.533 -7.439 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.683 2.331 -5.802 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.587 2.214 -7.548 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.623 1.001 -6.177 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.970 0.275 -7.632 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.436 -0.509 -4.728 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.459 -1.546 -6.141 1.00 8.33 H new ATOM 596 N PRO A 38 -8.221 2.284 -6.346 1.00 8.71 N ATOM 597 CA PRO A 38 -7.204 3.151 -5.651 1.00 9.08 C ATOM 598 C PRO A 38 -7.678 4.355 -4.941 1.00 9.28 C ATOM 599 O PRO A 38 -6.889 4.893 -4.143 1.00 6.50 O ATOM 600 CB PRO A 38 -6.283 3.510 -6.765 1.00 10.31 C ATOM 601 CG PRO A 38 -6.245 2.244 -7.626 1.00 10.81 C ATOM 602 CD PRO A 38 -7.750 1.814 -7.687 1.00 12.00 C ATOM 0 HA PRO A 38 -6.771 2.600 -4.816 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.651 4.367 -7.329 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.292 3.773 -6.396 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.842 2.443 -8.619 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.622 1.470 -7.178 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.286 2.294 -8.506 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.869 0.738 -7.815 1.00 12.00 H new ATOM 610 N ASP A 39 -8.921 4.786 -5.179 1.00 11.20 N ATOM 611 CA ASP A 39 -9.497 5.967 -4.495 1.00 14.96 C ATOM 612 C ASP A 39 -10.500 5.429 -3.455 1.00 13.99 C ATOM 613 O ASP A 39 -11.239 6.229 -2.838 1.00 13.75 O ATOM 614 CB ASP A 39 -10.219 7.007 -5.434 1.00 24.16 C ATOM 615 CG ASP A 39 -9.102 7.554 -6.313 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.200 8.323 -5.835 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.109 7.262 -7.545 1.00 35.55 O ATOM 0 H ASP A 39 -9.556 4.339 -5.841 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.671 6.525 -4.055 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.998 6.532 -6.030 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.697 7.799 -4.858 1.00 24.16 H new ATOM 622 N GLN A 40 -10.527 4.080 -3.208 1.00 11.60 N ATOM 623 CA GLN A 40 -11.098 3.425 -2.061 1.00 10.76 C ATOM 624 C GLN A 40 -10.077 2.688 -1.230 1.00 8.01 C ATOM 625 O GLN A 40 -10.412 1.739 -0.516 1.00 8.96 O ATOM 626 CB GLN A 40 -12.244 2.392 -2.498 1.00 11.14 C ATOM 627 CG GLN A 40 -13.505 2.910 -3.151 1.00 14.85 C ATOM 628 CD GLN A 40 -14.611 1.870 -3.470 1.00 16.11 C ATOM 629 OE1 GLN A 40 -15.303 2.025 -4.527 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.770 0.819 -2.663 1.00 18.16 N ATOM 0 H GLN A 40 -10.118 3.414 -3.863 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.521 4.223 -1.450 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.793 1.675 -3.183 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.541 1.838 -1.607 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.934 3.673 -2.501 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.226 3.404 -4.082 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.197 0.729 -1.824 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.465 0.106 -2.885 1.00 18.16 H new ATOM 639 N GLN A 41 -8.786 3.165 -1.272 1.00 6.52 N ATOM 640 CA GLN A 41 -7.732 2.500 -0.491 1.00 3.87 C ATOM 641 C GLN A 41 -6.932 3.563 0.160 1.00 4.79 C ATOM 642 O GLN A 41 -6.732 4.667 -0.337 1.00 6.34 O ATOM 643 CB GLN A 41 -6.676 1.827 -1.339 1.00 4.20 C ATOM 644 CG GLN A 41 -7.116 0.518 -2.009 1.00 3.20 C ATOM 645 CD GLN A 41 -6.038 0.026 -2.963 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.871 -0.072 -2.579 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.526 -0.340 -4.201 1.00 7.13 N ATOM 0 H GLN A 41 -8.480 3.971 -1.818 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.246 1.786 0.152 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.356 2.524 -2.114 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.806 1.623 -0.714 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.313 -0.239 -1.250 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.048 0.675 -2.552 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.515 -0.215 -4.416 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.897 -0.735 -4.900 1.00 7.13 H new ATOM 656 N ARG A 42 -6.369 3.210 1.344 1.00 5.73 N ATOM 657 CA ARG A 42 -5.276 3.940 1.997 1.00 6.97 C ATOM 658 C ARG A 42 -4.254 2.910 2.468 1.00 7.15 C ATOM 659 O ARG A 42 -4.554 1.866 3.077 1.00 7.33 O ATOM 660 CB ARG A 42 -5.629 4.877 3.121 1.00 13.23 C ATOM 661 CG ARG A 42 -6.529 6.104 2.781 1.00 21.27 C ATOM 662 CD ARG A 42 -6.686 7.082 4.015 1.00 26.14 C ATOM 663 NE ARG A 42 -7.408 8.348 3.597 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.527 8.781 4.150 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.298 8.001 4.907 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.891 9.997 3.864 1.00 36.39 N ATOM 0 H ARG A 42 -6.675 2.393 1.873 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.892 4.623 1.239 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.130 4.298 3.897 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.700 5.251 3.552 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.099 6.647 1.940 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.513 5.756 2.466 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.240 6.586 4.812 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.704 7.331 4.417 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.004 8.901 2.841 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.031 7.031 5.077 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.155 8.374 5.316 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.320 10.567 3.239 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.747 10.381 4.264 1.00 36.39 H new ATOM 680 N LEU A 43 -2.995 3.237 2.142 1.00 4.65 N ATOM 681 CA LEU A 43 -1.827 2.416 2.486 1.00 3.51 C ATOM 682 C LEU A 43 -1.093 3.168 3.553 1.00 5.56 C ATOM 683 O LEU A 43 -1.017 4.393 3.610 1.00 4.19 O ATOM 684 CB LEU A 43 -0.984 2.018 1.308 1.00 3.74 C ATOM 685 CG LEU A 43 -1.621 0.915 0.503 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.835 0.557 -0.795 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.802 -0.397 1.292 1.00 6.41 C ATOM 0 H LEU A 43 -2.758 4.086 1.628 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.140 1.441 2.860 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.822 2.886 0.669 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.004 1.692 1.657 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.594 1.334 0.246 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.351 -0.244 -1.324 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.774 1.435 -1.437 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.171 0.229 -0.533 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.266 -1.146 0.651 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.829 -0.758 1.626 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.439 -0.216 2.158 1.00 6.41 H new ATOM 699 N ILE A 44 -0.644 2.391 4.560 1.00 4.58 N ATOM 700 CA ILE A 44 -0.108 2.921 5.830 1.00 5.55 C ATOM 701 C ILE A 44 1.202 2.225 6.171 1.00 5.46 C ATOM 702 O ILE A 44 1.270 0.986 6.057 1.00 6.04 O ATOM 703 CB ILE A 44 -1.165 2.790 6.946 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.293 3.887 6.969 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.625 2.829 8.338 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.249 3.988 5.731 1.00 13.90 C ATOM 0 H ILE A 44 -0.643 1.372 4.514 1.00 4.58 H new ATOM 0 HA ILE A 44 0.113 3.983 5.727 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.564 1.812 6.676 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.908 3.715 7.852 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.813 4.857 7.100 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.445 2.730 9.049 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.079 2.008 8.478 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.114 3.777 8.504 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.971 4.788 5.893 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.664 4.203 4.836 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.777 3.043 5.601 1.00 13.90 H new ATOM 718 N PHE A 45 2.223 2.929 6.589 1.00 6.75 N ATOM 719 CA PHE A 45 3.471 2.293 6.967 1.00 4.70 C ATOM 720 C PHE A 45 4.081 3.106 8.160 1.00 6.34 C ATOM 721 O PHE A 45 4.359 4.284 8.010 1.00 5.45 O ATOM 722 CB PHE A 45 4.387 2.209 5.703 1.00 5.51 C ATOM 723 CG PHE A 45 5.725 1.566 5.964 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.658 0.219 6.400 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.914 2.261 6.032 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.733 -0.378 7.027 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.016 1.602 6.504 1.00 6.64 C ATOM 728 CZ PHE A 45 7.969 0.296 7.033 1.00 6.84 C ATOM 0 H PHE A 45 2.220 3.945 6.678 1.00 6.75 H new ATOM 0 HA PHE A 45 3.341 1.269 7.316 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.869 1.646 4.927 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.547 3.215 5.314 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.753 -0.348 6.239 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.973 3.294 5.722 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.628 -1.342 7.503 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.970 2.108 6.470 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.856 -0.174 7.432 1.00 6.84 H new ATOM 738 N ALA A 46 4.318 2.350 9.277 1.00 6.53 N ATOM 739 CA ALA A 46 4.968 2.863 10.448 1.00 7.15 C ATOM 740 C ALA A 46 4.242 4.052 11.016 1.00 9.00 C ATOM 741 O ALA A 46 4.760 5.079 11.468 1.00 11.15 O ATOM 742 CB ALA A 46 6.450 3.112 10.223 1.00 8.99 C ATOM 0 H ALA A 46 4.049 1.369 9.354 1.00 6.53 H new ATOM 0 HA ALA A 46 4.917 2.087 11.212 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.897 3.500 11.138 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.938 2.177 9.949 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.579 3.838 9.420 1.00 8.99 H new ATOM 748 N GLY A 47 2.860 3.933 10.966 1.00 9.35 N ATOM 749 CA GLY A 47 1.862 4.833 11.438 1.00 11.68 C ATOM 750 C GLY A 47 1.509 6.027 10.566 1.00 11.14 C ATOM 751 O GLY A 47 0.604 6.835 10.914 1.00 13.93 O ATOM 0 H GLY A 47 2.433 3.108 10.544 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.949 4.261 11.607 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.185 5.211 12.408 1.00 11.68 H new ATOM 755 N LYS A 48 2.234 6.248 9.454 1.00 10.47 N ATOM 756 CA LYS A 48 1.898 7.207 8.464 1.00 8.82 C ATOM 757 C LYS A 48 1.019 6.740 7.350 1.00 7.68 C ATOM 758 O LYS A 48 1.125 5.622 6.875 1.00 6.47 O ATOM 759 CB LYS A 48 3.103 7.841 7.725 1.00 9.74 C ATOM 760 CG LYS A 48 4.088 8.573 8.580 1.00 14.14 C ATOM 761 CD LYS A 48 5.167 9.327 7.763 1.00 16.32 C ATOM 762 CE LYS A 48 6.172 9.974 8.638 1.00 20.04 C ATOM 763 NZ LYS A 48 7.174 10.652 7.773 1.00 23.92 N ATOM 0 H LYS A 48 3.089 5.733 9.242 1.00 10.47 H new ATOM 0 HA LYS A 48 1.376 7.916 9.107 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.632 7.052 7.191 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.720 8.532 6.974 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.554 9.286 9.209 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.577 7.864 9.247 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.667 8.629 7.091 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.688 10.082 7.140 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.692 10.695 9.300 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.657 9.232 9.272 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.891 11.114 8.368 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.634 9.950 7.159 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.699 11.367 7.186 1.00 23.92 H new ATOM 777 N GLN A 49 0.048 7.553 6.974 1.00 8.89 N ATOM 778 CA GLN A 49 -0.762 7.425 5.759 1.00 7.18 C ATOM 779 C GLN A 49 -0.010 8.032 4.585 1.00 8.23 C ATOM 780 O GLN A 49 0.508 9.160 4.623 1.00 9.70 O ATOM 781 CB GLN A 49 -2.153 8.065 5.897 1.00 11.67 C ATOM 782 CG GLN A 49 -2.961 7.589 7.115 1.00 15.82 C ATOM 783 CD GLN A 49 -4.244 8.477 7.364 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.483 9.488 6.747 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.079 7.962 8.307 1.00 20.67 N ATOM 0 H GLN A 49 -0.217 8.365 7.532 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.930 6.362 5.586 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.036 9.147 5.956 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.726 7.855 4.994 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.262 6.552 6.966 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.327 7.613 8.001 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.827 7.104 8.798 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.957 8.434 8.523 1.00 20.67 H new ATOM 794 N LEU A 50 0.115 7.256 3.566 1.00 6.51 N ATOM 795 CA LEU A 50 1.100 7.498 2.455 1.00 7.41 C ATOM 796 C LEU A 50 0.552 8.217 1.265 1.00 8.27 C ATOM 797 O LEU A 50 -0.662 8.257 1.002 1.00 8.34 O ATOM 798 CB LEU A 50 1.671 6.115 2.041 1.00 7.13 C ATOM 799 CG LEU A 50 2.244 5.265 3.170 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.787 3.919 2.541 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.292 5.945 4.141 1.00 9.11 C ATOM 0 H LEU A 50 -0.447 6.415 3.436 1.00 6.51 H new ATOM 0 HA LEU A 50 1.869 8.169 2.837 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.879 5.548 1.552 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.454 6.274 1.299 1.00 7.13 H new ATOM 0 HG LEU A 50 1.418 5.086 3.858 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.203 3.291 3.329 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.969 3.391 2.050 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.563 4.146 1.810 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.613 5.224 4.893 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.156 6.279 3.567 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.830 6.801 4.633 1.00 9.11 H new ATOM 813 N GLU A 51 1.478 8.852 0.548 1.00 9.43 N ATOM 814 CA GLU A 51 1.227 9.674 -0.601 1.00 11.90 C ATOM 815 C GLU A 51 1.557 8.948 -1.932 1.00 11.49 C ATOM 816 O GLU A 51 2.598 8.255 -2.016 1.00 9.88 O ATOM 817 CB GLU A 51 1.913 10.963 -0.529 1.00 16.56 C ATOM 818 CG GLU A 51 1.357 11.875 0.622 1.00 26.06 C ATOM 819 CD GLU A 51 1.898 13.269 0.536 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.415 14.057 -0.323 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.881 13.590 1.263 1.00 33.44 O ATOM 0 H GLU A 51 2.470 8.794 0.777 1.00 9.43 H new ATOM 0 HA GLU A 51 0.155 9.873 -0.591 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.979 10.796 -0.373 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.808 11.481 -1.482 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.269 11.903 0.570 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.619 11.442 1.588 1.00 26.06 H new ATOM 828 N ASP A 52 0.691 9.036 -3.003 1.00 12.71 N ATOM 829 CA ASP A 52 0.775 8.266 -4.215 1.00 16.56 C ATOM 830 C ASP A 52 2.114 8.373 -5.040 1.00 15.83 C ATOM 831 O ASP A 52 2.627 7.435 -5.623 1.00 17.21 O ATOM 832 CB ASP A 52 -0.333 8.804 -5.150 1.00 21.05 C ATOM 833 CG ASP A 52 -1.630 8.899 -4.403 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.837 9.932 -3.752 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.420 7.919 -4.422 1.00 25.82 O ATOM 0 H ASP A 52 -0.099 9.681 -3.005 1.00 12.71 H new ATOM 0 HA ASP A 52 0.693 7.225 -3.903 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.052 9.785 -5.534 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.446 8.145 -6.011 1.00 21.05 H new ATOM 840 N GLY A 53 2.638 9.605 -5.116 1.00 15.00 N ATOM 841 CA GLY A 53 3.762 10.008 -5.971 1.00 11.77 C ATOM 842 C GLY A 53 5.096 9.662 -5.380 1.00 11.10 C ATOM 843 O GLY A 53 6.169 9.755 -6.006 1.00 11.25 O ATOM 0 H GLY A 53 2.275 10.379 -4.560 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.664 9.525 -6.943 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.714 11.083 -6.143 1.00 11.77 H new ATOM 847 N ARG A 54 5.113 9.236 -4.125 1.00 8.53 N ATOM 848 CA ARG A 54 6.252 8.838 -3.349 1.00 9.05 C ATOM 849 C ARG A 54 6.708 7.455 -3.782 1.00 8.96 C ATOM 850 O ARG A 54 5.921 6.577 -4.156 1.00 11.60 O ATOM 851 CB ARG A 54 6.063 8.931 -1.764 1.00 7.97 C ATOM 852 CG ARG A 54 5.903 10.338 -1.261 1.00 9.62 C ATOM 853 CD ARG A 54 7.212 11.127 -1.410 1.00 12.20 C ATOM 854 NE ARG A 54 6.985 12.471 -0.705 1.00 18.23 N ATOM 855 CZ ARG A 54 7.996 13.332 -0.593 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.280 13.100 -0.744 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.612 14.615 -0.318 1.00 23.38 N ATOM 0 H ARG A 54 4.249 9.158 -3.588 1.00 8.53 H new ATOM 0 HA ARG A 54 7.032 9.570 -3.560 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.188 8.349 -1.476 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.924 8.475 -1.276 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.108 10.838 -1.814 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.601 10.322 -0.214 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.045 10.587 -0.960 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.459 11.276 -2.461 1.00 12.20 H new ATOM 0 HE ARG A 54 6.067 12.704 -0.325 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.605 12.162 -0.977 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.952 13.858 -0.628 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.622 14.841 -0.217 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.315 15.347 -0.214 1.00 23.38 H new ATOM 871 N THR A 55 8.011 7.216 -3.661 1.00 9.05 N ATOM 872 CA THR A 55 8.504 5.844 -3.861 1.00 9.03 C ATOM 873 C THR A 55 8.421 5.077 -2.533 1.00 8.15 C ATOM 874 O THR A 55 8.425 5.682 -1.418 1.00 5.91 O ATOM 875 CB THR A 55 9.885 5.742 -4.478 1.00 11.15 C ATOM 876 OG1 THR A 55 10.868 6.372 -3.679 1.00 11.95 O ATOM 877 CG2 THR A 55 9.923 6.434 -5.873 1.00 11.71 C ATOM 0 H THR A 55 8.721 7.913 -3.436 1.00 9.05 H new ATOM 0 HA THR A 55 7.851 5.386 -4.604 1.00 9.03 H new ATOM 0 HB THR A 55 10.099 4.676 -4.563 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.591 5.738 -3.490 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.924 6.347 -6.295 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.206 5.952 -6.538 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.665 7.487 -5.764 1.00 11.71 H new ATOM 885 N LEU A 56 8.496 3.754 -2.561 1.00 6.91 N ATOM 886 CA LEU A 56 8.708 2.841 -1.447 1.00 8.29 C ATOM 887 C LEU A 56 9.980 3.150 -0.711 1.00 8.05 C ATOM 888 O LEU A 56 9.959 3.190 0.516 1.00 10.17 O ATOM 889 CB LEU A 56 8.575 1.314 -1.957 1.00 6.60 C ATOM 890 CG LEU A 56 7.171 0.837 -2.503 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.292 -0.469 -3.310 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.148 0.678 -1.373 1.00 8.64 C ATOM 0 H LEU A 56 8.402 3.248 -3.442 1.00 6.91 H new ATOM 0 HA LEU A 56 7.926 2.983 -0.701 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.311 1.160 -2.746 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.852 0.660 -1.130 1.00 6.60 H new ATOM 0 HG LEU A 56 6.811 1.617 -3.174 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.307 -0.767 -3.670 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.956 -0.311 -4.160 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.698 -1.254 -2.673 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.195 0.349 -1.788 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.507 -0.062 -0.658 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.012 1.634 -0.868 1.00 8.64 H new ATOM 904 N SER A 57 11.106 3.381 -1.421 1.00 8.92 N ATOM 905 CA SER A 57 12.396 3.698 -0.938 1.00 9.00 C ATOM 906 C SER A 57 12.389 5.021 -0.162 1.00 9.44 C ATOM 907 O SER A 57 12.975 5.144 0.889 1.00 10.91 O ATOM 908 CB SER A 57 13.485 3.731 -2.030 1.00 10.32 C ATOM 909 OG SER A 57 13.093 4.763 -2.925 1.00 13.59 O ATOM 0 H SER A 57 11.094 3.337 -2.440 1.00 8.92 H new ATOM 0 HA SER A 57 12.657 2.881 -0.265 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.466 3.935 -1.600 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.556 2.772 -2.543 1.00 10.32 H new ATOM 0 HG SER A 57 13.751 4.836 -3.648 1.00 13.59 H new ATOM 915 N ASP A 58 11.731 6.066 -0.630 1.00 9.11 N ATOM 916 CA ASP A 58 11.537 7.312 0.094 1.00 7.91 C ATOM 917 C ASP A 58 10.788 7.188 1.455 1.00 9.12 C ATOM 918 O ASP A 58 11.105 7.903 2.394 1.00 8.61 O ATOM 919 CB ASP A 58 10.853 8.292 -0.912 1.00 8.41 C ATOM 920 CG ASP A 58 10.749 9.755 -0.586 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.184 10.262 0.470 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.257 10.452 -1.511 1.00 11.70 O ATOM 0 H ASP A 58 11.302 6.072 -1.555 1.00 9.11 H new ATOM 0 HA ASP A 58 12.503 7.693 0.425 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.387 8.208 -1.859 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.841 7.926 -1.083 1.00 8.41 H new ATOM 927 N TYR A 59 9.890 6.188 1.570 1.00 7.97 N ATOM 928 CA TYR A 59 9.242 5.887 2.811 1.00 8.45 C ATOM 929 C TYR A 59 9.961 4.811 3.683 1.00 10.98 C ATOM 930 O TYR A 59 9.535 4.531 4.814 1.00 12.95 O ATOM 931 CB TYR A 59 7.828 5.299 2.553 1.00 7.94 C ATOM 932 CG TYR A 59 6.894 6.544 2.501 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.736 7.428 3.533 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.961 6.655 1.422 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.748 8.499 3.484 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.998 7.673 1.329 1.00 6.52 C ATOM 937 CZ TYR A 59 4.856 8.588 2.389 1.00 6.76 C ATOM 938 OH TYR A 59 3.984 9.695 2.279 1.00 7.63 O ATOM 0 H TYR A 59 9.612 5.585 0.796 1.00 7.97 H new ATOM 0 HA TYR A 59 9.239 6.841 3.338 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.795 4.738 1.619 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.532 4.613 3.347 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.361 7.330 4.409 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.999 5.915 0.636 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.697 9.224 4.283 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.372 7.753 0.452 1.00 6.52 H new ATOM 0 HH TYR A 59 4.052 10.077 1.379 1.00 7.63 H new ATOM 948 N ASN A 60 11.053 4.164 3.110 1.00 12.38 N ATOM 949 CA ASN A 60 11.885 3.090 3.722 1.00 13.94 C ATOM 950 C ASN A 60 11.130 1.848 4.029 1.00 14.16 C ATOM 951 O ASN A 60 11.267 1.293 5.122 1.00 14.26 O ATOM 952 CB ASN A 60 12.775 3.439 4.922 1.00 19.23 C ATOM 953 CG ASN A 60 13.665 4.588 4.511 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.706 4.395 3.856 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.280 5.849 4.836 1.00 24.09 N ATOM 0 H ASN A 60 11.373 4.402 2.171 1.00 12.38 H new ATOM 0 HA ASN A 60 12.579 2.930 2.897 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.166 3.715 5.783 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.374 2.578 5.218 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.845 6.646 4.543 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.426 5.999 5.373 1.00 24.09 H new ATOM 962 N ILE A 61 10.387 1.340 3.023 1.00 11.08 N ATOM 963 CA ILE A 61 9.755 0.064 2.967 1.00 11.78 C ATOM 964 C ILE A 61 10.731 -0.850 2.329 1.00 13.74 C ATOM 965 O ILE A 61 11.253 -0.552 1.304 1.00 14.60 O ATOM 966 CB ILE A 61 8.517 0.076 2.090 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.281 0.668 2.866 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.147 -1.281 1.473 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.289 1.470 1.980 1.00 11.42 C ATOM 0 H ILE A 61 10.218 1.879 2.174 1.00 11.08 H new ATOM 0 HA ILE A 61 9.458 -0.233 3.973 1.00 11.78 H new ATOM 0 HB ILE A 61 8.780 0.722 1.252 1.00 11.80 H new ATOM 0 HG12 ILE A 61 6.742 -0.150 3.344 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.645 1.318 3.662 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.250 -1.171 0.864 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.968 -1.633 0.849 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.960 -2.003 2.268 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.469 1.841 2.595 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.809 2.312 1.522 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.892 0.821 1.199 1.00 11.42 H new ATOM 981 N GLN A 62 11.034 -2.008 2.962 1.00 13.97 N ATOM 982 CA GLN A 62 12.218 -2.817 2.676 1.00 15.52 C ATOM 983 C GLN A 62 11.747 -4.294 2.501 1.00 13.94 C ATOM 984 O GLN A 62 10.577 -4.634 2.737 1.00 12.15 O ATOM 985 CB GLN A 62 13.180 -2.657 3.938 1.00 19.53 C ATOM 986 CG GLN A 62 13.574 -1.216 4.257 1.00 26.38 C ATOM 987 CD GLN A 62 14.412 -1.092 5.522 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.564 -2.023 6.328 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.110 0.028 5.709 1.00 32.71 N ATOM 0 H GLN A 62 10.446 -2.403 3.696 1.00 13.97 H new ATOM 0 HA GLN A 62 12.744 -2.514 1.771 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.688 -3.087 4.810 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.086 -3.238 3.764 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.132 -0.804 3.417 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.672 -0.614 4.366 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.004 0.809 5.061 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.750 0.104 6.500 1.00 32.71 H new ATOM 998 N LYS A 63 12.640 -5.162 2.006 1.00 11.73 N ATOM 999 CA LYS A 63 12.368 -6.628 1.946 1.00 11.97 C ATOM 1000 C LYS A 63 11.734 -7.203 3.220 1.00 10.41 C ATOM 1001 O LYS A 63 12.306 -7.085 4.326 1.00 9.59 O ATOM 1002 CB LYS A 63 13.679 -7.330 1.724 1.00 13.73 C ATOM 1003 CG LYS A 63 13.717 -8.849 1.656 1.00 16.98 C ATOM 1004 CD LYS A 63 15.144 -9.402 1.717 1.00 20.19 C ATOM 1005 CE LYS A 63 15.271 -10.922 1.757 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.574 -11.321 2.251 1.00 25.97 N ATOM 0 H LYS A 63 13.553 -4.890 1.641 1.00 11.73 H new ATOM 0 HA LYS A 63 11.652 -6.785 1.139 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.098 -6.951 0.791 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.353 -7.023 2.524 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.135 -9.261 2.480 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.241 -9.180 0.733 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.692 -9.034 0.850 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.634 -8.993 2.601 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.492 -11.339 2.396 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.116 -11.330 0.758 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.636 -12.359 2.269 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.313 -10.941 1.626 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.709 -10.950 3.213 1.00 25.97 H new ATOM 1020 N GLU A 64 10.570 -7.802 3.059 1.00 10.04 N ATOM 1021 CA GLU A 64 9.724 -8.389 4.128 1.00 10.94 C ATOM 1022 C GLU A 64 9.221 -7.445 5.138 1.00 9.74 C ATOM 1023 O GLU A 64 8.934 -7.828 6.305 1.00 9.42 O ATOM 1024 CB GLU A 64 10.451 -9.633 4.745 1.00 18.31 C ATOM 1025 CG GLU A 64 10.746 -10.758 3.735 1.00 24.16 C ATOM 1026 CD GLU A 64 11.541 -11.898 4.283 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.134 -11.779 5.367 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.578 -12.900 3.552 1.00 32.61 O ATOM 0 H GLU A 64 10.150 -7.908 2.136 1.00 10.04 H new ATOM 0 HA GLU A 64 8.801 -8.714 3.648 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.390 -9.306 5.192 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.837 -10.035 5.551 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.800 -11.143 3.354 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.282 -10.334 2.886 1.00 24.16 H new ATOM 1035 N SER A 65 8.956 -6.177 4.790 1.00 6.85 N ATOM 1036 CA SER A 65 8.258 -5.263 5.686 1.00 6.90 C ATOM 1037 C SER A 65 6.827 -5.489 5.789 1.00 4.72 C ATOM 1038 O SER A 65 6.168 -6.170 5.025 1.00 3.91 O ATOM 1039 CB SER A 65 8.386 -3.733 5.256 1.00 7.28 C ATOM 1040 OG SER A 65 9.734 -3.224 5.344 1.00 10.56 O ATOM 0 H SER A 65 9.217 -5.768 3.893 1.00 6.85 H new ATOM 0 HA SER A 65 8.755 -5.469 6.634 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.029 -3.620 4.232 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.736 -3.130 5.889 1.00 7.28 H new ATOM 0 HG SER A 65 9.710 -2.248 5.431 1.00 10.56 H new ATOM 1046 N THR A 66 6.292 -4.978 6.907 1.00 4.48 N ATOM 1047 CA THR A 66 4.858 -5.049 7.234 1.00 3.80 C ATOM 1048 C THR A 66 4.208 -3.698 7.090 1.00 4.60 C ATOM 1049 O THR A 66 4.433 -2.762 7.887 1.00 5.33 O ATOM 1050 CB THR A 66 4.642 -5.485 8.670 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.251 -6.706 8.960 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.188 -5.733 8.952 1.00 3.40 C ATOM 0 H THR A 66 6.846 -4.499 7.617 1.00 4.48 H new ATOM 0 HA THR A 66 4.420 -5.770 6.544 1.00 3.80 H new ATOM 0 HB THR A 66 5.062 -4.673 9.264 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.084 -6.941 9.897 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.067 -6.044 9.990 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.623 -4.817 8.779 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.818 -6.518 8.292 1.00 3.40 H new ATOM 1060 N LEU A 67 3.358 -3.556 6.091 1.00 4.17 N ATOM 1061 CA LEU A 67 2.587 -2.427 5.761 1.00 3.85 C ATOM 1062 C LEU A 67 1.166 -2.763 6.277 1.00 3.80 C ATOM 1063 O LEU A 67 0.776 -3.893 6.593 1.00 5.54 O ATOM 1064 CB LEU A 67 2.531 -2.294 4.213 1.00 7.18 C ATOM 1065 CG LEU A 67 3.844 -1.838 3.629 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.894 -2.954 3.553 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.679 -1.354 2.179 1.00 11.66 C ATOM 0 H LEU A 67 3.192 -4.322 5.438 1.00 4.17 H new ATOM 0 HA LEU A 67 2.987 -1.505 6.183 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.257 -3.255 3.778 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.749 -1.586 3.940 1.00 7.18 H new ATOM 0 HG LEU A 67 4.170 -1.044 4.301 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.815 -2.559 3.124 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.095 -3.334 4.555 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.520 -3.764 2.926 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.645 -1.033 1.790 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.293 -2.168 1.565 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.981 -0.517 2.152 1.00 11.66 H new ATOM 1079 N HIS A 68 0.347 -1.727 6.398 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.052 -1.737 6.727 1.00 4.17 C ATOM 1081 C HIS A 68 -1.912 -1.059 5.656 1.00 5.32 C ATOM 1082 O HIS A 68 -1.544 -0.075 5.092 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.255 -1.035 8.117 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.930 -2.016 9.236 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.375 -2.335 9.616 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.732 -2.819 9.973 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.320 -3.288 10.611 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.909 -3.617 10.876 1.00 16.30 N ATOM 0 H HIS A 68 0.687 -0.776 6.253 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.379 -2.775 6.777 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.612 -0.158 8.190 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.283 -0.686 8.213 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.809 -2.862 9.904 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.185 -3.706 11.105 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.231 -4.292 11.570 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.093 -1.650 5.469 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.038 -1.217 4.401 1.00 3.97 C ATOM 1098 C LEU A 69 -5.374 -1.007 5.159 1.00 5.07 C ATOM 1099 O LEU A 69 -5.760 -1.875 5.946 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.347 -2.312 3.329 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.594 -2.121 2.354 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.293 -1.177 1.159 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.919 -3.519 1.746 1.00 9.96 C ATOM 0 H LEU A 69 -3.431 -2.429 6.034 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.612 -0.360 3.880 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.459 -2.421 2.707 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.485 -3.256 3.856 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.408 -1.688 2.935 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.181 -1.088 0.533 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.014 -0.193 1.534 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.473 -1.587 0.569 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.770 -3.433 1.070 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.053 -3.886 1.195 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.162 -4.217 2.547 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.043 0.174 4.925 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.378 0.430 5.437 1.00 6.26 C ATOM 1117 C VAL A 70 -8.239 1.133 4.305 1.00 9.22 C ATOM 1118 O VAL A 70 -7.730 2.021 3.583 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.466 1.254 6.742 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.794 0.465 7.901 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.812 2.691 6.616 1.00 8.54 C ATOM 0 H VAL A 70 -5.653 0.944 4.382 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.769 -0.550 5.709 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.524 1.410 6.951 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.856 1.046 8.821 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.307 -0.487 8.038 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.747 0.282 7.658 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.907 3.218 7.565 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.757 2.590 6.361 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.321 3.255 5.835 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.444 0.564 4.054 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.118 1.048 2.922 1.00 16.06 C ATOM 1133 C LEU A 71 -10.742 2.424 3.133 1.00 18.09 C ATOM 1134 O LEU A 71 -10.859 2.935 4.252 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.137 0.017 2.418 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.542 -1.391 2.186 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.647 -2.263 1.580 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.279 -1.389 1.235 1.00 19.57 C ATOM 0 H LEU A 71 -9.904 -0.168 4.595 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.369 1.193 2.143 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.951 -0.058 3.139 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.571 0.376 1.484 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.195 -1.779 3.144 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.262 -3.267 1.402 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.489 -2.314 2.270 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.977 -1.829 0.636 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.912 -2.408 1.115 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.558 -0.987 0.261 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.495 -0.770 1.672 1.00 19.57 H new