USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 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 22 THR OG1 : rot 180:sc= 0.952 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.09 K(o=2,f=0.87) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.378 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -139:sc= 0.823 (180deg=-0.00582) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 0.715 USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.184) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.22 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= -0.221 X(o=-0.22,f=0.034) USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= 0.916 (180deg=-0.474!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00811 USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 2.07 (180deg=0.583) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.021) USER MOD Single : A 31 GLN : amide:sc= -0.691 X(o=-0.69,f=-0.33) USER MOD Single : A 33 LYS NZ :NH3+ -114:sc= 0.544 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00377 K(o=-0.0038,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= 0.142 K(o=0.14,f=-3.6!) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0448) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.0547 USER MOD Single : A 60 ASN : amide:sc= -0.0695 K(o=-0.069,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= 0.47 (180deg=0.0944) USER MOD Single : A 65 SER OG : rot 73:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.244 -3.875 -4.134 1.00 0.78 N ATOM 2 CA MET A 1 12.831 -4.666 -2.953 1.00 0.70 C ATOM 3 C MET A 1 11.467 -5.267 -2.949 1.00 0.62 C ATOM 4 O MET A 1 10.690 -5.063 -3.881 1.00 0.68 O ATOM 5 CB MET A 1 13.108 -3.719 -1.773 1.00 0.75 C ATOM 6 CG MET A 1 12.525 -2.306 -1.719 1.00 0.79 C ATOM 7 SD MET A 1 13.017 -1.346 -0.255 1.00 1.10 S ATOM 8 CE MET A 1 11.466 -0.421 -0.436 1.00 0.84 C ATOM 0 H1 MET A 1 13.980 -3.195 -3.856 1.00 0.78 H new ATOM 0 H2 MET A 1 13.620 -4.513 -4.865 1.00 0.78 H new ATOM 0 H3 MET A 1 12.423 -3.361 -4.512 1.00 0.78 H new ATOM 0 HA MET A 1 13.399 -5.596 -2.918 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.774 -4.233 -0.872 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.191 -3.616 -1.699 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.833 -1.765 -2.614 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.437 -2.374 -1.746 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.504 0.477 0.180 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.330 -0.139 -1.480 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.631 -1.045 -0.117 1.00 0.84 H new ATOM 20 N GLN A 2 11.141 -5.938 -1.830 1.00 0.59 N ATOM 21 CA GLN A 2 9.934 -6.644 -1.531 1.00 0.56 C ATOM 22 C GLN A 2 9.178 -6.097 -0.369 1.00 0.50 C ATOM 23 O GLN A 2 9.751 -5.822 0.684 1.00 0.60 O ATOM 24 CB GLN A 2 10.285 -8.056 -1.033 1.00 0.71 C ATOM 25 CG GLN A 2 9.083 -8.990 -0.891 1.00 1.15 C ATOM 26 CD GLN A 2 9.494 -10.455 -0.945 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.120 -11.331 -0.167 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.184 -10.913 -2.024 1.00 1.72 N ATOM 0 H GLN A 2 11.798 -5.989 -1.051 1.00 0.59 H new ATOM 0 HA GLN A 2 9.353 -6.585 -2.451 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.999 -8.505 -1.723 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.783 -7.974 -0.067 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.577 -8.789 0.053 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.367 -8.784 -1.687 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.533 -10.257 -2.722 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.352 -11.913 -2.135 1.00 1.72 H new ATOM 37 N ILE A 3 7.897 -5.708 -0.506 1.00 0.44 N ATOM 38 CA ILE A 3 7.069 -5.281 0.578 1.00 0.42 C ATOM 39 C ILE A 3 5.815 -6.083 0.508 1.00 0.40 C ATOM 40 O ILE A 3 5.436 -6.483 -0.591 1.00 0.50 O ATOM 41 CB ILE A 3 6.584 -3.863 0.623 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.733 -3.391 -0.568 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.828 -2.983 0.824 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.231 -1.949 -0.498 1.00 0.72 C ATOM 0 H ILE A 3 7.420 -5.691 -1.408 1.00 0.44 H new ATOM 0 HA ILE A 3 7.722 -5.402 1.442 1.00 0.42 H new ATOM 0 HB ILE A 3 5.875 -3.782 1.447 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.321 -3.507 -1.479 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.871 -4.052 -0.659 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.530 -1.935 0.864 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.320 -3.256 1.758 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.518 -3.133 -0.007 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.643 -1.725 -1.388 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.610 -1.823 0.389 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.082 -1.270 -0.444 1.00 0.72 H new ATOM 56 N PHE A 4 5.029 -6.190 1.595 1.00 0.37 N ATOM 57 CA PHE A 4 3.864 -6.988 1.821 1.00 0.38 C ATOM 58 C PHE A 4 2.752 -6.034 2.093 1.00 0.39 C ATOM 59 O PHE A 4 2.943 -5.043 2.797 1.00 0.60 O ATOM 60 CB PHE A 4 4.132 -7.893 3.034 1.00 0.45 C ATOM 61 CG PHE A 4 5.217 -8.904 2.889 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.133 -10.042 2.121 1.00 1.30 C ATOM 63 CD2 PHE A 4 6.313 -8.709 3.695 1.00 1.16 C ATOM 64 CE1 PHE A 4 6.137 -10.977 2.205 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.413 -9.532 3.618 1.00 1.23 C ATOM 66 CZ PHE A 4 7.271 -10.719 2.940 1.00 0.85 C ATOM 0 H PHE A 4 5.245 -5.639 2.426 1.00 0.37 H new ATOM 0 HA PHE A 4 3.611 -7.623 0.972 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.371 -7.257 3.886 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.208 -8.418 3.277 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.291 -10.198 1.462 1.00 1.30 H new ATOM 0 HD2 PHE A 4 6.311 -7.893 4.403 1.00 1.16 H new ATOM 0 HE1 PHE A 4 6.035 -11.921 1.690 1.00 1.40 H new ATOM 0 HE2 PHE A 4 8.353 -9.256 4.073 1.00 1.23 H new ATOM 0 HZ PHE A 4 8.058 -11.457 2.985 1.00 0.85 H new ATOM 76 N VAL A 5 1.603 -6.251 1.430 1.00 0.35 N ATOM 77 CA VAL A 5 0.387 -5.553 1.711 1.00 0.35 C ATOM 78 C VAL A 5 -0.706 -6.509 2.045 1.00 0.35 C ATOM 79 O VAL A 5 -0.969 -7.450 1.297 1.00 0.46 O ATOM 80 CB VAL A 5 -0.055 -4.653 0.595 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.229 -3.806 1.115 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.110 -3.790 0.085 1.00 0.56 C ATOM 0 H VAL A 5 1.517 -6.932 0.676 1.00 0.35 H new ATOM 0 HA VAL A 5 0.600 -4.917 2.570 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.386 -5.239 -0.263 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.574 -3.139 0.325 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.045 -4.462 1.418 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.901 -3.216 1.971 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.760 -3.148 -0.723 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.490 -3.174 0.900 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.907 -4.436 -0.284 1.00 0.56 H new ATOM 92 N LYS A 6 -1.362 -6.337 3.206 1.00 0.36 N ATOM 93 CA LYS A 6 -2.414 -7.258 3.507 1.00 0.39 C ATOM 94 C LYS A 6 -3.792 -6.732 3.299 1.00 0.46 C ATOM 95 O LYS A 6 -4.202 -5.625 3.643 1.00 0.53 O ATOM 96 CB LYS A 6 -2.296 -7.401 5.034 1.00 0.54 C ATOM 97 CG LYS A 6 -1.173 -8.381 5.380 1.00 1.22 C ATOM 98 CD LYS A 6 -1.529 -9.104 6.680 1.00 1.37 C ATOM 99 CE LYS A 6 -0.337 -9.629 7.483 1.00 1.93 C ATOM 100 NZ LYS A 6 0.562 -10.481 6.672 1.00 2.09 N ATOM 0 H LYS A 6 -1.182 -5.609 3.898 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.304 -8.142 2.879 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.094 -6.429 5.484 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.240 -7.755 5.449 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.039 -9.101 4.573 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.229 -7.848 5.492 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -2.099 -8.423 7.311 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.184 -9.942 6.443 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.228 -8.786 7.881 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.701 -10.200 8.337 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.869 -11.298 7.237 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.055 -10.815 5.828 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.394 -9.929 6.381 1.00 2.09 H new ATOM 114 N THR A 7 -4.730 -7.593 2.865 1.00 0.58 N ATOM 115 CA THR A 7 -6.126 -7.313 2.729 1.00 0.78 C ATOM 116 C THR A 7 -6.980 -7.625 3.910 1.00 0.94 C ATOM 117 O THR A 7 -6.585 -8.175 4.936 1.00 0.99 O ATOM 118 CB THR A 7 -6.698 -7.787 1.426 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.817 -9.201 1.377 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.805 -7.495 0.209 1.00 0.92 C ATOM 0 H THR A 7 -4.497 -8.548 2.591 1.00 0.58 H new ATOM 0 HA THR A 7 -6.159 -6.224 2.701 1.00 0.78 H new ATOM 0 HB THR A 7 -7.649 -7.257 1.380 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.195 -9.468 0.513 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.288 -7.868 -0.694 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.651 -6.420 0.120 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.842 -7.990 0.337 1.00 0.92 H new ATOM 128 N LEU A 8 -8.229 -7.130 3.832 1.00 1.17 N ATOM 129 CA LEU A 8 -9.321 -7.438 4.702 1.00 1.39 C ATOM 130 C LEU A 8 -9.732 -8.868 4.779 1.00 1.44 C ATOM 131 O LEU A 8 -9.793 -9.488 5.839 1.00 1.60 O ATOM 132 CB LEU A 8 -10.515 -6.474 4.608 1.00 1.66 C ATOM 133 CG LEU A 8 -11.517 -6.802 5.727 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.007 -6.752 7.178 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.741 -5.876 5.626 1.00 2.43 C ATOM 0 H LEU A 8 -8.493 -6.465 3.105 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.866 -7.253 5.675 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.174 -5.443 4.700 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.996 -6.565 3.634 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.749 -7.851 5.542 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.820 -7.005 7.858 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.194 -7.467 7.303 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.645 -5.748 7.402 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -13.445 -6.116 6.423 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.421 -4.839 5.724 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -13.225 -6.017 4.659 1.00 2.43 H new ATOM 147 N THR A 9 -10.059 -9.416 3.594 1.00 1.41 N ATOM 148 CA THR A 9 -10.559 -10.745 3.428 1.00 1.51 C ATOM 149 C THR A 9 -9.579 -11.771 3.883 1.00 1.37 C ATOM 150 O THR A 9 -9.861 -12.522 4.815 1.00 1.62 O ATOM 151 CB THR A 9 -11.042 -11.096 2.052 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.133 -10.729 1.025 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.353 -10.338 1.787 1.00 2.08 C ATOM 0 H THR A 9 -9.971 -8.909 2.713 1.00 1.41 H new ATOM 0 HA THR A 9 -11.442 -10.754 4.067 1.00 1.51 H new ATOM 0 HB THR A 9 -11.162 -12.179 2.028 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.503 -10.985 0.154 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.719 -10.582 0.790 1.00 2.08 H new ATOM 0 HG22 THR A 9 -13.098 -10.629 2.528 1.00 2.08 H new ATOM 0 HG23 THR A 9 -12.173 -9.265 1.855 1.00 2.08 H new ATOM 161 N GLY A 10 -8.384 -11.823 3.268 1.00 1.18 N ATOM 162 CA GLY A 10 -7.392 -12.704 3.803 1.00 1.22 C ATOM 163 C GLY A 10 -6.146 -12.890 3.008 1.00 0.99 C ATOM 164 O GLY A 10 -5.431 -13.872 3.200 1.00 1.31 O ATOM 0 H GLY A 10 -8.112 -11.287 2.444 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -7.111 -12.337 4.790 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.851 -13.682 3.946 1.00 1.22 H new ATOM 168 N LYS A 11 -5.698 -11.879 2.242 1.00 0.73 N ATOM 169 CA LYS A 11 -4.525 -12.013 1.434 1.00 0.60 C ATOM 170 C LYS A 11 -3.413 -11.165 1.949 1.00 0.51 C ATOM 171 O LYS A 11 -3.670 -10.116 2.538 1.00 0.63 O ATOM 172 CB LYS A 11 -4.703 -11.712 -0.064 1.00 0.75 C ATOM 173 CG LYS A 11 -5.656 -12.693 -0.749 1.00 0.87 C ATOM 174 CD LYS A 11 -5.681 -12.565 -2.274 1.00 1.04 C ATOM 175 CE LYS A 11 -6.660 -13.521 -2.957 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.637 -13.386 -4.431 1.00 1.40 N ATOM 0 H LYS A 11 -6.149 -10.966 2.182 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.291 -13.075 1.512 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.082 -10.697 -0.185 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -3.732 -11.750 -0.557 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.368 -13.710 -0.484 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -6.663 -12.536 -0.364 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.943 -11.541 -2.539 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.679 -12.748 -2.661 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.413 -14.547 -2.684 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -7.669 -13.328 -2.592 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -7.593 -13.162 -4.774 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -5.985 -12.621 -4.699 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.317 -14.279 -4.856 1.00 1.40 H new ATOM 190 N THR A 12 -2.193 -11.705 1.770 1.00 0.49 N ATOM 191 CA THR A 12 -0.988 -10.956 1.951 1.00 0.48 C ATOM 192 C THR A 12 -0.413 -10.859 0.581 1.00 0.52 C ATOM 193 O THR A 12 0.138 -11.839 0.082 1.00 0.72 O ATOM 194 CB THR A 12 0.033 -11.534 2.884 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.537 -11.553 4.184 1.00 0.77 O ATOM 196 CG2 THR A 12 1.261 -10.615 3.014 1.00 0.78 C ATOM 0 H THR A 12 -2.041 -12.676 1.496 1.00 0.49 H new ATOM 0 HA THR A 12 -1.240 -10.009 2.427 1.00 0.48 H new ATOM 0 HB THR A 12 0.321 -12.514 2.502 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.289 -12.385 4.638 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.981 -11.064 3.698 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.723 -10.484 2.035 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.950 -9.645 3.401 1.00 0.78 H new ATOM 204 N ILE A 13 -0.535 -9.672 -0.039 1.00 0.48 N ATOM 205 CA ILE A 13 -0.076 -9.523 -1.385 1.00 0.55 C ATOM 206 C ILE A 13 1.344 -9.070 -1.350 1.00 0.51 C ATOM 207 O ILE A 13 1.686 -8.027 -0.795 1.00 0.56 O ATOM 208 CB ILE A 13 -0.888 -8.571 -2.211 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.368 -8.945 -2.024 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.523 -8.599 -3.705 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.284 -7.846 -2.560 1.00 1.55 C ATOM 0 H ILE A 13 -0.941 -8.834 0.378 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.181 -10.495 -1.867 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.680 -7.556 -1.873 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.578 -9.882 -2.540 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.574 -9.111 -0.967 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.147 -7.887 -4.245 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.526 -8.329 -3.828 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.688 -9.601 -4.101 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.324 -8.137 -2.415 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -3.089 -6.917 -2.025 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.093 -7.700 -3.623 1.00 1.55 H new ATOM 223 N THR A 14 2.281 -9.796 -1.984 1.00 0.55 N ATOM 224 CA THR A 14 3.672 -9.462 -2.019 1.00 0.54 C ATOM 225 C THR A 14 3.961 -8.684 -3.256 1.00 0.55 C ATOM 226 O THR A 14 3.775 -9.180 -4.367 1.00 0.72 O ATOM 227 CB THR A 14 4.578 -10.657 -2.051 1.00 0.67 C ATOM 228 OG1 THR A 14 4.240 -11.708 -1.158 1.00 1.08 O ATOM 229 CG2 THR A 14 6.039 -10.283 -1.748 1.00 1.03 C ATOM 0 H THR A 14 2.061 -10.652 -2.494 1.00 0.55 H new ATOM 0 HA THR A 14 3.864 -8.901 -1.105 1.00 0.54 H new ATOM 0 HB THR A 14 4.448 -11.018 -3.071 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.885 -12.439 -1.254 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.659 -11.179 -1.782 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.393 -9.568 -2.491 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.102 -9.836 -0.756 1.00 1.03 H new ATOM 237 N LEU A 15 4.473 -7.455 -3.071 1.00 0.50 N ATOM 238 CA LEU A 15 4.812 -6.590 -4.159 1.00 0.55 C ATOM 239 C LEU A 15 6.279 -6.356 -4.256 1.00 0.52 C ATOM 240 O LEU A 15 7.066 -6.199 -3.323 1.00 0.58 O ATOM 241 CB LEU A 15 4.047 -5.275 -3.933 1.00 0.69 C ATOM 242 CG LEU A 15 2.532 -5.359 -3.676 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.992 -3.921 -3.588 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.813 -6.210 -4.734 1.00 1.55 C ATOM 0 H LEU A 15 4.655 -7.054 -2.151 1.00 0.50 H new ATOM 0 HA LEU A 15 4.530 -7.049 -5.107 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.502 -4.765 -3.084 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.204 -4.642 -4.807 1.00 0.69 H new ATOM 0 HG LEU A 15 2.337 -5.872 -2.734 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.918 -3.946 -3.406 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.486 -3.396 -2.771 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.189 -3.400 -4.525 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.746 -6.241 -4.512 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.966 -5.771 -5.720 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.216 -7.223 -4.722 1.00 1.55 H new ATOM 256 N GLU A 16 6.689 -6.275 -5.536 1.00 0.59 N ATOM 257 CA GLU A 16 8.001 -5.880 -5.941 1.00 0.63 C ATOM 258 C GLU A 16 8.002 -4.392 -6.024 1.00 0.65 C ATOM 259 O GLU A 16 7.206 -3.859 -6.795 1.00 0.81 O ATOM 260 CB GLU A 16 8.444 -6.481 -7.286 1.00 0.76 C ATOM 261 CG GLU A 16 8.532 -8.000 -7.125 1.00 1.41 C ATOM 262 CD GLU A 16 9.073 -8.615 -8.408 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.315 -8.685 -9.410 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.253 -9.055 -8.370 1.00 1.92 O ATOM 0 H GLU A 16 6.077 -6.495 -6.322 1.00 0.59 H new ATOM 0 HA GLU A 16 8.715 -6.256 -5.208 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.733 -6.222 -8.071 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.410 -6.074 -7.585 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.182 -8.251 -6.287 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.548 -8.410 -6.899 1.00 1.41 H new ATOM 271 N VAL A 17 8.726 -3.660 -5.157 1.00 0.61 N ATOM 272 CA VAL A 17 8.775 -2.232 -5.099 1.00 0.63 C ATOM 273 C VAL A 17 10.146 -1.652 -5.068 1.00 0.65 C ATOM 274 O VAL A 17 11.078 -2.260 -4.543 1.00 0.76 O ATOM 275 CB VAL A 17 8.015 -1.585 -3.979 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.543 -2.029 -3.950 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.557 -2.018 -2.606 1.00 0.92 C ATOM 0 H VAL A 17 9.316 -4.097 -4.449 1.00 0.61 H new ATOM 0 HA VAL A 17 8.282 -2.001 -6.043 1.00 0.63 H new ATOM 0 HB VAL A 17 8.120 -0.514 -4.155 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.031 -1.536 -3.124 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.062 -1.756 -4.889 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.491 -3.110 -3.816 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.983 -1.530 -1.818 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.467 -3.099 -2.504 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.605 -1.732 -2.522 1.00 0.92 H new ATOM 287 N GLU A 18 10.256 -0.436 -5.632 1.00 0.68 N ATOM 288 CA GLU A 18 11.482 0.292 -5.520 1.00 0.74 C ATOM 289 C GLU A 18 11.149 1.399 -4.580 1.00 0.71 C ATOM 290 O GLU A 18 9.961 1.708 -4.499 1.00 0.74 O ATOM 291 CB GLU A 18 11.783 0.895 -6.902 1.00 0.88 C ATOM 292 CG GLU A 18 12.334 -0.090 -7.934 1.00 1.16 C ATOM 293 CD GLU A 18 13.763 -0.532 -7.649 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.504 -0.019 -6.768 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.073 -1.544 -8.333 1.00 2.33 O ATOM 0 H GLU A 18 9.516 0.034 -6.153 1.00 0.68 H new ATOM 0 HA GLU A 18 12.330 -0.308 -5.188 1.00 0.74 H new ATOM 0 HB2 GLU A 18 10.867 1.336 -7.296 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.500 1.707 -6.779 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.690 -0.969 -7.966 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.294 0.370 -8.921 1.00 1.16 H new ATOM 302 N PRO A 19 11.999 1.949 -3.764 1.00 0.74 N ATOM 303 CA PRO A 19 11.631 2.924 -2.779 1.00 0.74 C ATOM 304 C PRO A 19 11.108 4.187 -3.371 1.00 0.70 C ATOM 305 O PRO A 19 10.503 4.985 -2.657 1.00 0.74 O ATOM 306 CB PRO A 19 12.871 3.184 -1.926 1.00 0.86 C ATOM 307 CG PRO A 19 14.058 2.575 -2.689 1.00 0.95 C ATOM 308 CD PRO A 19 13.399 1.569 -3.649 1.00 0.82 C ATOM 0 HA PRO A 19 10.809 2.537 -2.177 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.017 4.253 -1.769 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.767 2.728 -0.941 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.619 3.337 -3.231 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.758 2.084 -2.013 1.00 0.95 H new ATOM 0 HD2 PRO A 19 13.886 1.590 -4.624 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.493 0.552 -3.267 1.00 0.82 H new ATOM 316 N SER A 20 11.418 4.423 -4.658 1.00 0.70 N ATOM 317 CA SER A 20 11.114 5.548 -5.487 1.00 0.74 C ATOM 318 C SER A 20 9.723 5.453 -6.014 1.00 0.71 C ATOM 319 O SER A 20 9.235 6.457 -6.532 1.00 0.80 O ATOM 320 CB SER A 20 12.039 5.673 -6.709 1.00 0.89 C ATOM 321 OG SER A 20 12.187 4.441 -7.400 1.00 1.45 O ATOM 0 H SER A 20 11.953 3.730 -5.182 1.00 0.70 H new ATOM 0 HA SER A 20 11.249 6.418 -4.844 1.00 0.74 H new ATOM 0 HB2 SER A 20 11.638 6.423 -7.390 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.018 6.026 -6.386 1.00 0.89 H new ATOM 0 HG SER A 20 12.781 4.567 -8.169 1.00 1.45 H new ATOM 327 N ASP A 21 9.092 4.266 -5.966 1.00 0.70 N ATOM 328 CA ASP A 21 7.708 4.257 -6.326 1.00 0.73 C ATOM 329 C ASP A 21 6.855 5.121 -5.464 1.00 0.64 C ATOM 330 O ASP A 21 7.058 5.216 -4.255 1.00 0.66 O ATOM 331 CB ASP A 21 7.211 2.810 -6.165 1.00 0.87 C ATOM 332 CG ASP A 21 7.993 1.929 -7.129 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.573 2.458 -8.114 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.055 0.691 -6.899 1.00 1.50 O ATOM 0 H ASP A 21 9.502 3.371 -5.698 1.00 0.70 H new ATOM 0 HA ASP A 21 7.630 4.642 -7.343 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.354 2.471 -5.139 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.143 2.749 -6.375 1.00 0.87 H new ATOM 339 N THR A 22 5.815 5.734 -6.059 1.00 0.63 N ATOM 340 CA THR A 22 4.862 6.536 -5.356 1.00 0.58 C ATOM 341 C THR A 22 3.870 5.641 -4.698 1.00 0.53 C ATOM 342 O THR A 22 3.700 4.457 -4.986 1.00 0.58 O ATOM 343 CB THR A 22 4.175 7.567 -6.200 1.00 0.63 C ATOM 344 OG1 THR A 22 3.405 7.109 -7.301 1.00 0.70 O ATOM 345 CG2 THR A 22 5.173 8.629 -6.691 1.00 0.75 C ATOM 0 H THR A 22 5.632 5.669 -7.060 1.00 0.63 H new ATOM 0 HA THR A 22 5.417 7.110 -4.614 1.00 0.58 H new ATOM 0 HB THR A 22 3.441 7.982 -5.509 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.011 7.876 -7.766 1.00 0.70 H new ATOM 0 HG21 THR A 22 4.650 9.365 -7.301 1.00 0.75 H new ATOM 0 HG22 THR A 22 5.628 9.125 -5.833 1.00 0.75 H new ATOM 0 HG23 THR A 22 5.950 8.150 -7.287 1.00 0.75 H new ATOM 353 N ILE A 23 3.119 6.165 -3.713 1.00 0.51 N ATOM 354 CA ILE A 23 2.071 5.531 -2.976 1.00 0.48 C ATOM 355 C ILE A 23 0.909 5.186 -3.842 1.00 0.48 C ATOM 356 O ILE A 23 0.199 4.185 -3.759 1.00 0.51 O ATOM 357 CB ILE A 23 1.725 6.358 -1.774 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.935 6.224 -0.836 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.386 5.982 -1.116 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.203 4.842 -0.241 1.00 0.73 C ATOM 0 H ILE A 23 3.262 7.127 -3.405 1.00 0.51 H new ATOM 0 HA ILE A 23 2.421 4.568 -2.604 1.00 0.48 H new ATOM 0 HB ILE A 23 1.551 7.397 -2.052 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.824 6.535 -1.384 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.805 6.927 -0.014 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.210 6.627 -0.255 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.422 6.110 -1.836 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.420 4.942 -0.790 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.083 4.887 0.401 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.341 4.525 0.347 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.376 4.127 -1.045 1.00 0.73 H new ATOM 372 N GLU A 24 0.654 5.969 -4.905 1.00 0.50 N ATOM 373 CA GLU A 24 -0.204 5.774 -6.032 1.00 0.53 C ATOM 374 C GLU A 24 0.248 4.647 -6.896 1.00 0.50 C ATOM 375 O GLU A 24 -0.609 3.914 -7.384 1.00 0.55 O ATOM 376 CB GLU A 24 -0.248 7.071 -6.858 1.00 0.64 C ATOM 377 CG GLU A 24 -1.217 6.983 -8.039 1.00 0.95 C ATOM 378 CD GLU A 24 -1.372 8.337 -8.715 1.00 1.05 C ATOM 379 OE1 GLU A 24 -1.773 9.318 -8.032 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.324 8.328 -9.974 1.00 1.62 O ATOM 0 H GLU A 24 1.123 6.872 -4.978 1.00 0.50 H new ATOM 0 HA GLU A 24 -1.196 5.521 -5.659 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.542 7.899 -6.213 1.00 0.64 H new ATOM 0 HB3 GLU A 24 0.752 7.295 -7.229 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.852 6.251 -8.760 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -2.189 6.632 -7.692 1.00 0.95 H new ATOM 387 N ASN A 25 1.561 4.461 -7.123 1.00 0.51 N ATOM 388 CA ASN A 25 2.094 3.315 -7.792 1.00 0.52 C ATOM 389 C ASN A 25 1.990 2.076 -6.973 1.00 0.47 C ATOM 390 O ASN A 25 1.805 0.975 -7.492 1.00 0.53 O ATOM 391 CB ASN A 25 3.540 3.352 -8.316 1.00 0.64 C ATOM 392 CG ASN A 25 3.586 4.097 -9.643 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.563 3.541 -10.739 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.628 5.455 -9.560 1.00 1.57 N ATOM 0 H ASN A 25 2.274 5.129 -6.832 1.00 0.51 H new ATOM 0 HA ASN A 25 1.449 3.324 -8.671 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.188 3.843 -7.590 1.00 0.64 H new ATOM 0 HB3 ASN A 25 3.917 2.337 -8.444 1.00 0.64 H new ATOM 0 HD21 ASN A 25 3.641 6.018 -10.411 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.647 5.910 -8.647 1.00 1.57 H new ATOM 401 N VAL A 26 2.073 2.048 -5.631 1.00 0.45 N ATOM 402 CA VAL A 26 1.733 0.923 -4.815 1.00 0.44 C ATOM 403 C VAL A 26 0.360 0.412 -5.083 1.00 0.40 C ATOM 404 O VAL A 26 0.169 -0.799 -5.178 1.00 0.44 O ATOM 405 CB VAL A 26 2.077 1.008 -3.358 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.384 -0.117 -2.571 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.609 0.886 -3.290 1.00 0.62 C ATOM 0 H VAL A 26 2.393 2.850 -5.088 1.00 0.45 H new ATOM 0 HA VAL A 26 2.430 0.157 -5.154 1.00 0.44 H new ATOM 0 HB VAL A 26 1.737 1.942 -2.910 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.646 -0.038 -1.516 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.304 -0.028 -2.684 1.00 0.60 H new ATOM 0 HG13 VAL A 26 1.710 -1.084 -2.954 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.933 0.940 -2.251 1.00 0.62 H new ATOM 0 HG22 VAL A 26 3.917 -0.068 -3.717 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.064 1.700 -3.855 1.00 0.62 H new ATOM 417 N LYS A 27 -0.660 1.288 -5.122 1.00 0.40 N ATOM 418 CA LYS A 27 -2.014 0.991 -5.472 1.00 0.41 C ATOM 419 C LYS A 27 -2.225 0.356 -6.804 1.00 0.38 C ATOM 420 O LYS A 27 -2.935 -0.641 -6.918 1.00 0.42 O ATOM 421 CB LYS A 27 -2.908 2.239 -5.380 1.00 0.51 C ATOM 422 CG LYS A 27 -2.881 2.889 -3.995 1.00 0.76 C ATOM 423 CD LYS A 27 -3.630 4.220 -4.080 1.00 0.82 C ATOM 424 CE LYS A 27 -3.473 5.048 -2.802 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.376 6.214 -2.927 1.00 1.11 N ATOM 0 H LYS A 27 -0.528 2.273 -4.893 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.296 0.244 -4.730 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.585 2.967 -6.124 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.933 1.964 -5.627 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -3.349 2.235 -3.259 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.853 3.051 -3.670 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.258 4.792 -4.930 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.688 4.030 -4.261 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.729 4.455 -1.924 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.440 5.372 -2.677 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.961 7.029 -2.432 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.504 6.448 -3.932 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.298 5.986 -2.504 1.00 1.11 H new ATOM 439 N ALA A 28 -1.482 0.850 -7.810 1.00 0.39 N ATOM 440 CA ALA A 28 -1.400 0.300 -9.128 1.00 0.39 C ATOM 441 C ALA A 28 -0.817 -1.071 -9.142 1.00 0.36 C ATOM 442 O ALA A 28 -1.307 -1.961 -9.836 1.00 0.42 O ATOM 443 CB ALA A 28 -0.715 1.241 -10.133 1.00 0.51 C ATOM 0 H ALA A 28 -0.904 1.683 -7.696 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.430 0.199 -9.470 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.684 0.766 -11.114 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.276 2.173 -10.199 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.301 1.452 -9.800 1.00 0.51 H new ATOM 449 N LYS A 29 0.098 -1.322 -8.189 1.00 0.39 N ATOM 450 CA LYS A 29 0.666 -2.627 -8.051 1.00 0.43 C ATOM 451 C LYS A 29 -0.276 -3.699 -7.623 1.00 0.44 C ATOM 452 O LYS A 29 -0.340 -4.852 -8.046 1.00 0.54 O ATOM 453 CB LYS A 29 1.943 -2.568 -7.195 1.00 0.54 C ATOM 454 CG LYS A 29 3.160 -1.892 -7.830 1.00 0.65 C ATOM 455 CD LYS A 29 4.438 -2.032 -7.000 1.00 1.08 C ATOM 456 CE LYS A 29 5.593 -1.213 -7.578 1.00 1.24 C ATOM 457 NZ LYS A 29 5.856 -1.416 -9.021 1.00 1.44 N ATOM 0 H LYS A 29 0.441 -0.631 -7.522 1.00 0.39 H new ATOM 0 HA LYS A 29 0.935 -2.940 -9.060 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.708 -2.046 -6.267 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.221 -3.587 -6.926 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.329 -2.320 -8.818 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.944 -0.833 -7.974 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.242 -1.710 -5.977 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.726 -3.082 -6.954 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.387 -0.156 -7.409 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.500 -1.454 -7.023 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.686 -0.858 -9.304 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.038 -2.424 -9.202 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.028 -1.110 -9.571 1.00 1.44 H new ATOM 471 N ILE A 30 -1.181 -3.321 -6.702 1.00 0.41 N ATOM 472 CA ILE A 30 -2.281 -4.102 -6.227 1.00 0.44 C ATOM 473 C ILE A 30 -3.302 -4.147 -7.310 1.00 0.45 C ATOM 474 O ILE A 30 -3.958 -5.185 -7.380 1.00 0.56 O ATOM 475 CB ILE A 30 -2.810 -3.515 -4.951 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.753 -3.360 -3.846 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.979 -4.316 -4.354 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.234 -2.475 -2.696 1.00 1.32 C ATOM 0 H ILE A 30 -1.140 -2.403 -6.258 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.978 -5.122 -5.992 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.151 -2.528 -5.264 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.491 -4.344 -3.458 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.845 -2.934 -4.273 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.315 -3.839 -3.433 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.802 -4.346 -5.068 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.650 -5.332 -4.137 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.450 -2.399 -1.943 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.470 -1.481 -3.076 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -3.126 -2.913 -2.248 1.00 1.32 H new ATOM 490 N GLN A 31 -3.577 -3.112 -8.124 1.00 0.41 N ATOM 491 CA GLN A 31 -4.539 -3.115 -9.182 1.00 0.48 C ATOM 492 C GLN A 31 -4.239 -4.092 -10.266 1.00 0.52 C ATOM 493 O GLN A 31 -5.126 -4.744 -10.815 1.00 0.66 O ATOM 494 CB GLN A 31 -4.684 -1.705 -9.780 1.00 0.52 C ATOM 495 CG GLN A 31 -5.984 -1.462 -10.549 1.00 0.70 C ATOM 496 CD GLN A 31 -5.966 -1.976 -11.982 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.940 -2.526 -12.493 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.843 -1.915 -12.747 1.00 1.43 N ATOM 0 H GLN A 31 -3.096 -2.217 -8.037 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.478 -3.432 -8.729 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.614 -0.975 -8.973 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.843 -1.522 -10.449 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.805 -1.940 -10.014 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.191 -0.392 -10.561 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.000 -1.472 -12.381 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.844 -2.313 -13.686 1.00 1.43 H new ATOM 507 N ASP A 32 -2.944 -4.294 -10.569 1.00 0.50 N ATOM 508 CA ASP A 32 -2.428 -5.249 -11.500 1.00 0.60 C ATOM 509 C ASP A 32 -2.705 -6.628 -11.011 1.00 0.65 C ATOM 510 O ASP A 32 -3.456 -7.398 -11.608 1.00 0.81 O ATOM 511 CB ASP A 32 -0.947 -4.887 -11.699 1.00 0.67 C ATOM 512 CG ASP A 32 -0.456 -5.590 -12.956 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.134 -5.269 -13.969 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.402 -6.512 -12.955 1.00 1.55 O ATOM 0 H ASP A 32 -2.203 -3.748 -10.129 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.907 -5.223 -12.479 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.828 -3.808 -11.795 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.359 -5.197 -10.835 1.00 0.67 H new ATOM 519 N LYS A 33 -2.272 -6.926 -9.773 1.00 0.62 N ATOM 520 CA LYS A 33 -2.387 -8.167 -9.072 1.00 0.73 C ATOM 521 C LYS A 33 -3.774 -8.677 -8.888 1.00 0.69 C ATOM 522 O LYS A 33 -4.227 -9.737 -9.319 1.00 0.83 O ATOM 523 CB LYS A 33 -1.756 -7.831 -7.709 1.00 0.85 C ATOM 524 CG LYS A 33 -0.232 -7.708 -7.683 1.00 1.31 C ATOM 525 CD LYS A 33 0.531 -9.005 -7.405 1.00 1.71 C ATOM 526 CE LYS A 33 2.060 -9.019 -7.392 1.00 2.26 C ATOM 527 NZ LYS A 33 2.542 -10.309 -6.848 1.00 2.62 N ATOM 0 H LYS A 33 -1.793 -6.225 -9.208 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.910 -8.971 -9.633 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.182 -6.891 -7.357 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.050 -8.601 -6.996 1.00 0.85 H new ATOM 0 HG2 LYS A 33 0.099 -7.311 -8.643 1.00 1.31 H new ATOM 0 HG3 LYS A 33 0.043 -6.976 -6.924 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.198 -9.372 -6.434 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.209 -9.733 -8.149 1.00 1.71 H new ATOM 0 HE2 LYS A 33 2.443 -8.873 -8.402 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.436 -8.194 -6.786 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.028 -10.144 -5.943 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.734 -10.945 -6.696 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 3.203 -10.745 -7.522 1.00 2.62 H new ATOM 541 N GLU A 34 -4.466 -8.066 -7.911 1.00 0.63 N ATOM 542 CA GLU A 34 -5.647 -8.541 -7.259 1.00 0.67 C ATOM 543 C GLU A 34 -6.848 -7.849 -7.805 1.00 0.69 C ATOM 544 O GLU A 34 -7.965 -8.365 -7.814 1.00 0.95 O ATOM 545 CB GLU A 34 -5.342 -8.317 -5.768 1.00 0.73 C ATOM 546 CG GLU A 34 -6.548 -8.705 -4.910 1.00 0.83 C ATOM 547 CD GLU A 34 -6.677 -10.220 -4.829 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.851 -10.957 -5.431 1.00 1.48 O ATOM 549 OE2 GLU A 34 -7.665 -10.723 -4.231 1.00 1.37 O ATOM 0 H GLU A 34 -4.172 -7.160 -7.546 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.890 -9.591 -7.423 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -4.475 -8.909 -5.475 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -5.087 -7.271 -5.596 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -6.439 -8.289 -3.908 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -7.457 -8.279 -5.335 1.00 0.83 H new ATOM 556 N GLY A 35 -6.635 -6.675 -8.427 1.00 0.63 N ATOM 557 CA GLY A 35 -7.672 -5.985 -9.131 1.00 0.68 C ATOM 558 C GLY A 35 -8.479 -5.042 -8.306 1.00 0.76 C ATOM 559 O GLY A 35 -9.709 -5.070 -8.273 1.00 1.12 O ATOM 0 H GLY A 35 -5.733 -6.199 -8.442 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.223 -5.430 -9.954 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.343 -6.722 -9.572 1.00 0.68 H new ATOM 563 N ILE A 36 -7.762 -4.129 -7.630 1.00 0.70 N ATOM 564 CA ILE A 36 -8.291 -3.173 -6.707 1.00 0.76 C ATOM 565 C ILE A 36 -8.249 -1.807 -7.302 1.00 0.71 C ATOM 566 O ILE A 36 -7.107 -1.390 -7.494 1.00 0.73 O ATOM 567 CB ILE A 36 -7.666 -3.237 -5.345 1.00 0.88 C ATOM 568 CG1 ILE A 36 -7.631 -4.702 -4.881 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.407 -2.343 -4.337 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.305 -4.938 -3.407 1.00 1.16 C ATOM 0 H ILE A 36 -6.750 -4.053 -7.734 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.334 -3.436 -6.532 1.00 0.76 H new ATOM 0 HB ILE A 36 -6.647 -2.854 -5.402 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -8.601 -5.151 -5.093 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -6.895 -5.234 -5.484 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -7.925 -2.416 -3.362 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.379 -1.308 -4.679 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.444 -2.670 -4.254 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.310 -6.008 -3.200 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.320 -4.529 -3.182 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.053 -4.445 -2.786 1.00 1.16 H new ATOM 582 N PRO A 37 -9.273 -1.053 -7.567 1.00 0.75 N ATOM 583 CA PRO A 37 -9.120 0.249 -8.149 1.00 0.79 C ATOM 584 C PRO A 37 -8.468 1.298 -7.315 1.00 0.75 C ATOM 585 O PRO A 37 -9.006 1.597 -6.250 1.00 0.75 O ATOM 586 CB PRO A 37 -10.524 0.637 -8.607 1.00 0.95 C ATOM 587 CG PRO A 37 -11.183 -0.738 -8.792 1.00 1.02 C ATOM 588 CD PRO A 37 -10.652 -1.518 -7.579 1.00 0.85 C ATOM 0 HA PRO A 37 -8.399 0.187 -8.964 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -11.044 1.243 -7.865 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.508 1.211 -9.533 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.271 -0.672 -8.789 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.895 -1.204 -9.734 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.183 -1.272 -6.660 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.727 -2.597 -7.711 1.00 0.85 H new ATOM 596 N PRO A 38 -7.452 2.019 -7.690 1.00 0.81 N ATOM 597 CA PRO A 38 -6.687 2.932 -6.892 1.00 0.85 C ATOM 598 C PRO A 38 -7.392 4.082 -6.258 1.00 0.89 C ATOM 599 O PRO A 38 -7.028 4.418 -5.133 1.00 0.99 O ATOM 600 CB PRO A 38 -5.529 3.369 -7.785 1.00 1.01 C ATOM 601 CG PRO A 38 -5.231 2.090 -8.584 1.00 1.25 C ATOM 602 CD PRO A 38 -6.674 1.640 -8.860 1.00 0.98 C ATOM 0 HA PRO A 38 -6.375 2.403 -5.992 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.807 4.199 -8.435 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.667 3.695 -7.203 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.668 2.285 -9.497 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.663 1.357 -8.010 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.065 2.118 -9.758 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.720 0.564 -9.026 1.00 0.98 H new ATOM 610 N ASP A 39 -8.464 4.651 -6.838 1.00 0.96 N ATOM 611 CA ASP A 39 -9.269 5.734 -6.364 1.00 1.11 C ATOM 612 C ASP A 39 -9.959 5.298 -5.116 1.00 1.00 C ATOM 613 O ASP A 39 -10.094 6.083 -4.180 1.00 1.14 O ATOM 614 CB ASP A 39 -10.306 6.104 -7.438 1.00 1.39 C ATOM 615 CG ASP A 39 -9.632 6.196 -8.799 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.674 6.992 -8.990 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.042 5.450 -9.728 1.00 2.25 O ATOM 0 H ASP A 39 -8.801 4.312 -7.739 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.650 6.607 -6.156 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.098 5.355 -7.465 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.775 7.056 -7.190 1.00 1.39 H new ATOM 622 N GLN A 40 -10.175 3.987 -4.902 1.00 0.87 N ATOM 623 CA GLN A 40 -10.707 3.431 -3.697 1.00 0.84 C ATOM 624 C GLN A 40 -9.717 2.963 -2.686 1.00 0.67 C ATOM 625 O GLN A 40 -10.136 2.361 -1.699 1.00 0.80 O ATOM 626 CB GLN A 40 -11.674 2.312 -4.114 1.00 0.95 C ATOM 627 CG GLN A 40 -12.868 2.828 -4.919 1.00 1.32 C ATOM 628 CD GLN A 40 -13.928 1.770 -5.189 1.00 1.48 C ATOM 629 OE1 GLN A 40 -14.054 0.863 -4.367 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.645 1.794 -6.344 1.00 2.02 N ATOM 0 H GLN A 40 -9.967 3.279 -5.607 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.209 4.236 -3.160 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.134 1.574 -4.707 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -12.037 1.801 -3.222 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.325 3.659 -4.382 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.510 3.222 -5.870 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.519 2.559 -7.007 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.309 1.047 -6.548 1.00 2.02 H new ATOM 639 N GLN A 41 -8.426 3.311 -2.826 1.00 0.56 N ATOM 640 CA GLN A 41 -7.469 2.844 -1.871 1.00 0.51 C ATOM 641 C GLN A 41 -6.885 3.985 -1.110 1.00 0.49 C ATOM 642 O GLN A 41 -6.589 5.079 -1.588 1.00 0.65 O ATOM 643 CB GLN A 41 -6.365 1.884 -2.342 1.00 0.67 C ATOM 644 CG GLN A 41 -6.707 0.968 -3.519 1.00 0.69 C ATOM 645 CD GLN A 41 -5.542 0.096 -3.967 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.643 -0.227 -3.194 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.526 -0.198 -5.295 1.00 0.61 N ATOM 0 H GLN A 41 -8.052 3.896 -3.574 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.076 2.201 -1.233 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.492 2.477 -2.615 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -6.075 1.259 -1.498 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.544 0.328 -3.240 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.039 1.578 -4.359 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.300 0.095 -5.892 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.740 -0.711 -5.694 1.00 0.61 H new ATOM 656 N ARG A 42 -6.575 3.664 0.159 1.00 0.47 N ATOM 657 CA ARG A 42 -5.712 4.462 0.973 1.00 0.55 C ATOM 658 C ARG A 42 -4.782 3.510 1.644 1.00 0.46 C ATOM 659 O ARG A 42 -5.232 2.446 2.064 1.00 0.52 O ATOM 660 CB ARG A 42 -6.449 5.468 1.873 1.00 0.73 C ATOM 661 CG ARG A 42 -7.502 4.904 2.830 1.00 1.04 C ATOM 662 CD ARG A 42 -8.418 6.013 3.351 1.00 1.28 C ATOM 663 NE ARG A 42 -9.440 5.407 4.250 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.097 5.294 5.567 1.00 2.19 C ATOM 665 NH1 ARG A 42 -7.925 5.789 6.060 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.902 4.693 6.491 1.00 2.78 N ATOM 0 H ARG A 42 -6.932 2.832 0.629 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.124 5.158 0.375 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -5.705 6.001 2.465 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.934 6.204 1.232 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -8.096 4.147 2.318 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.010 4.410 3.668 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.837 6.761 3.890 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.902 6.525 2.519 1.00 1.28 H new ATOM 0 HE ARG A 42 -10.346 5.094 3.901 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -7.270 6.263 5.438 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -7.704 5.685 7.050 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.802 4.305 6.208 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.604 4.632 7.464 1.00 2.78 H new ATOM 680 N LEU A 43 -3.465 3.782 1.691 1.00 0.46 N ATOM 681 CA LEU A 43 -2.504 2.931 2.319 1.00 0.42 C ATOM 682 C LEU A 43 -2.048 3.438 3.645 1.00 0.43 C ATOM 683 O LEU A 43 -1.762 4.629 3.746 1.00 0.55 O ATOM 684 CB LEU A 43 -1.299 2.726 1.384 1.00 0.55 C ATOM 685 CG LEU A 43 -1.725 2.217 -0.003 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.545 2.229 -0.990 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.308 0.801 -0.140 1.00 1.12 C ATOM 0 H LEU A 43 -3.057 4.621 1.279 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.999 1.978 2.506 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.761 3.668 1.275 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.608 2.014 1.835 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.530 2.922 -0.210 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.879 1.864 -1.961 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.169 3.247 -1.095 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.250 1.585 -0.614 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.553 0.608 -1.184 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.574 0.071 0.201 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.210 0.719 0.466 1.00 1.12 H new ATOM 699 N ILE A 44 -2.011 2.547 4.652 1.00 0.42 N ATOM 700 CA ILE A 44 -1.572 2.787 5.991 1.00 0.46 C ATOM 701 C ILE A 44 -0.404 1.906 6.272 1.00 0.42 C ATOM 702 O ILE A 44 -0.170 0.840 5.704 1.00 0.53 O ATOM 703 CB ILE A 44 -2.746 2.504 6.882 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.922 3.469 6.656 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.318 2.431 8.357 1.00 1.38 C ATOM 706 CD1 ILE A 44 -3.754 4.968 6.907 1.00 1.27 C ATOM 0 H ILE A 44 -2.313 1.582 4.517 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.242 3.812 6.158 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.125 1.521 6.602 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.242 3.350 5.621 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.744 3.127 7.285 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.189 2.225 8.979 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.585 1.635 8.484 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.876 3.382 8.655 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -4.692 5.480 6.692 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -3.480 5.134 7.949 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -2.970 5.360 6.259 1.00 1.27 H new ATOM 718 N PHE A 45 0.545 2.414 7.077 1.00 0.42 N ATOM 719 CA PHE A 45 1.612 1.575 7.527 1.00 0.46 C ATOM 720 C PHE A 45 1.716 1.877 8.983 1.00 0.68 C ATOM 721 O PHE A 45 1.977 3.018 9.356 1.00 1.50 O ATOM 722 CB PHE A 45 2.950 1.815 6.807 1.00 0.56 C ATOM 723 CG PHE A 45 4.122 1.192 7.484 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.198 -0.177 7.587 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.087 1.998 8.041 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.249 -0.817 8.201 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.124 1.369 8.688 1.00 1.33 C ATOM 728 CZ PHE A 45 6.215 -0.001 8.745 1.00 1.02 C ATOM 0 H PHE A 45 0.576 3.378 7.409 1.00 0.42 H new ATOM 0 HA PHE A 45 1.398 0.528 7.312 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.880 1.425 5.792 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.119 2.889 6.725 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.401 -0.773 7.169 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.033 3.075 7.973 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.313 -1.894 8.253 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.887 1.967 9.164 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.069 -0.450 9.230 1.00 1.02 H new ATOM 738 N ALA A 46 1.308 0.931 9.847 1.00 0.81 N ATOM 739 CA ALA A 46 1.351 1.260 11.239 1.00 0.96 C ATOM 740 C ALA A 46 0.324 2.220 11.731 1.00 0.97 C ATOM 741 O ALA A 46 -0.786 1.810 12.068 1.00 1.21 O ATOM 742 CB ALA A 46 2.719 1.425 11.924 1.00 1.20 C ATOM 0 H ALA A 46 0.970 -0.001 9.608 1.00 0.81 H new ATOM 0 HA ALA A 46 1.034 0.284 11.608 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.572 1.673 12.975 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.280 0.494 11.846 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.276 2.225 11.437 1.00 1.20 H new ATOM 748 N GLY A 47 0.630 3.523 11.860 1.00 0.99 N ATOM 749 CA GLY A 47 -0.193 4.564 12.393 1.00 1.10 C ATOM 750 C GLY A 47 0.080 5.818 11.636 1.00 1.03 C ATOM 751 O GLY A 47 -0.152 6.954 12.048 1.00 1.30 O ATOM 0 H GLY A 47 1.539 3.879 11.563 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.246 4.294 12.311 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.018 4.708 13.453 1.00 1.10 H new ATOM 755 N LYS A 48 0.696 5.663 10.451 1.00 0.98 N ATOM 756 CA LYS A 48 0.872 6.713 9.495 1.00 1.05 C ATOM 757 C LYS A 48 -0.051 6.515 8.343 1.00 0.84 C ATOM 758 O LYS A 48 -0.319 5.352 8.047 1.00 0.81 O ATOM 759 CB LYS A 48 2.354 6.601 9.098 1.00 1.42 C ATOM 760 CG LYS A 48 3.359 7.417 9.914 1.00 1.61 C ATOM 761 CD LYS A 48 4.803 6.974 9.675 1.00 1.87 C ATOM 762 CE LYS A 48 5.736 7.717 10.634 1.00 2.22 C ATOM 763 NZ LYS A 48 5.835 9.153 10.291 1.00 2.55 N ATOM 0 H LYS A 48 1.087 4.772 10.146 1.00 0.98 H new ATOM 0 HA LYS A 48 0.639 7.706 9.879 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.642 5.551 9.159 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.447 6.897 8.053 1.00 1.42 H new ATOM 0 HG2 LYS A 48 3.259 8.472 9.658 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.124 7.322 10.974 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.893 5.898 9.825 1.00 1.87 H new ATOM 0 HD3 LYS A 48 5.090 7.177 8.643 1.00 1.87 H new ATOM 0 HE2 LYS A 48 5.370 7.610 11.655 1.00 2.22 H new ATOM 0 HE3 LYS A 48 6.727 7.265 10.602 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.551 9.606 10.895 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.110 9.253 9.293 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.914 9.611 10.444 1.00 2.55 H new ATOM 777 N GLN A 49 -0.565 7.618 7.770 1.00 0.84 N ATOM 778 CA GLN A 49 -1.285 7.587 6.535 1.00 0.80 C ATOM 779 C GLN A 49 -0.564 8.156 5.362 1.00 0.72 C ATOM 780 O GLN A 49 -0.003 9.249 5.306 1.00 0.83 O ATOM 781 CB GLN A 49 -2.654 8.253 6.757 1.00 1.03 C ATOM 782 CG GLN A 49 -2.635 9.781 6.833 1.00 1.67 C ATOM 783 CD GLN A 49 -4.054 10.331 6.841 1.00 1.92 C ATOM 784 OE1 GLN A 49 -4.760 10.107 7.823 1.00 2.24 O ATOM 785 NE2 GLN A 49 -4.521 11.079 5.805 1.00 2.48 N ATOM 0 H GLN A 49 -0.479 8.551 8.173 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.407 6.540 6.259 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.320 7.955 5.947 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.082 7.865 7.681 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -2.110 10.100 7.733 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -2.086 10.187 5.983 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -3.926 11.258 4.996 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -5.466 11.461 5.837 1.00 2.48 H new ATOM 794 N LEU A 50 -0.509 7.398 4.252 1.00 0.69 N ATOM 795 CA LEU A 50 0.471 7.630 3.236 1.00 0.66 C ATOM 796 C LEU A 50 -0.239 8.454 2.216 1.00 0.72 C ATOM 797 O LEU A 50 -1.189 7.990 1.586 1.00 0.90 O ATOM 798 CB LEU A 50 1.183 6.349 2.773 1.00 0.65 C ATOM 799 CG LEU A 50 1.627 5.443 3.934 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.095 4.038 3.519 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.618 6.079 4.923 1.00 0.74 C ATOM 0 H LEU A 50 -1.144 6.624 4.058 1.00 0.69 H new ATOM 0 HA LEU A 50 1.344 8.184 3.580 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.516 5.788 2.119 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.056 6.622 2.180 1.00 0.65 H new ATOM 0 HG LEU A 50 0.690 5.317 4.476 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.387 3.475 4.406 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.282 3.519 3.011 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.948 4.123 2.846 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.867 5.359 5.702 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.525 6.369 4.393 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.165 6.961 5.376 1.00 0.74 H new ATOM 813 N GLU A 51 0.226 9.660 1.845 1.00 0.70 N ATOM 814 CA GLU A 51 -0.304 10.439 0.771 1.00 0.76 C ATOM 815 C GLU A 51 0.141 9.925 -0.555 1.00 0.77 C ATOM 816 O GLU A 51 1.267 9.457 -0.724 1.00 1.23 O ATOM 817 CB GLU A 51 0.251 11.864 0.934 1.00 0.88 C ATOM 818 CG GLU A 51 -0.326 12.851 -0.083 1.00 1.35 C ATOM 819 CD GLU A 51 -1.846 12.806 -0.128 1.00 1.46 C ATOM 820 OE1 GLU A 51 -2.466 13.430 0.775 1.00 1.89 O ATOM 821 OE2 GLU A 51 -2.364 12.223 -1.118 1.00 1.94 O ATOM 0 H GLU A 51 1.009 10.113 2.317 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.393 10.401 0.805 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.033 12.220 1.941 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.336 11.839 0.833 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.001 13.861 0.168 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.072 12.625 -1.072 1.00 1.35 H new ATOM 828 N ASP A 52 -0.769 9.889 -1.545 1.00 0.66 N ATOM 829 CA ASP A 52 -0.707 9.290 -2.841 1.00 0.65 C ATOM 830 C ASP A 52 0.444 9.698 -3.694 1.00 0.60 C ATOM 831 O ASP A 52 1.148 8.875 -4.277 1.00 0.62 O ATOM 832 CB ASP A 52 -1.978 9.606 -3.647 1.00 0.81 C ATOM 833 CG ASP A 52 -3.242 9.388 -2.828 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.178 8.579 -1.863 1.00 1.44 O ATOM 835 OD2 ASP A 52 -4.340 9.921 -3.138 1.00 1.56 O ATOM 0 H ASP A 52 -1.671 10.345 -1.411 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.592 8.229 -2.617 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.942 10.640 -3.990 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -2.009 8.976 -4.536 1.00 0.81 H new ATOM 840 N GLY A 53 0.767 11.003 -3.665 1.00 0.68 N ATOM 841 CA GLY A 53 1.885 11.618 -4.311 1.00 0.73 C ATOM 842 C GLY A 53 3.099 11.771 -3.461 1.00 0.72 C ATOM 843 O GLY A 53 3.916 12.660 -3.699 1.00 0.97 O ATOM 0 H GLY A 53 0.203 11.679 -3.150 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.147 11.028 -5.189 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.583 12.603 -4.667 1.00 0.73 H new ATOM 847 N ARG A 54 3.309 10.842 -2.512 1.00 0.64 N ATOM 848 CA ARG A 54 4.551 10.696 -1.819 1.00 0.63 C ATOM 849 C ARG A 54 5.170 9.423 -2.286 1.00 0.59 C ATOM 850 O ARG A 54 4.496 8.560 -2.846 1.00 0.62 O ATOM 851 CB ARG A 54 4.516 10.741 -0.282 1.00 0.69 C ATOM 852 CG ARG A 54 5.077 11.975 0.426 1.00 0.82 C ATOM 853 CD ARG A 54 4.318 13.297 0.300 1.00 1.18 C ATOM 854 NE ARG A 54 4.414 13.817 -1.094 1.00 1.50 N ATOM 855 CZ ARG A 54 5.372 14.680 -1.542 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.413 15.061 -0.744 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.417 14.973 -2.874 1.00 2.49 N ATOM 0 H ARG A 54 2.596 10.174 -2.219 1.00 0.64 H new ATOM 0 HA ARG A 54 5.135 11.583 -2.066 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.478 10.624 0.029 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.060 9.871 0.087 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.159 11.740 1.487 1.00 0.82 H new ATOM 0 HG3 ARG A 54 6.089 12.138 0.056 1.00 0.82 H new ATOM 0 HD2 ARG A 54 3.272 13.151 0.570 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.728 14.028 0.997 1.00 1.18 H new ATOM 0 HE ARG A 54 3.711 13.504 -1.763 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.485 14.699 0.207 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.118 15.707 -1.099 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.743 14.550 -3.512 1.00 2.49 H new ATOM 0 HH22 ARG A 54 6.124 15.615 -3.231 1.00 2.49 H new ATOM 871 N THR A 55 6.469 9.208 -2.014 1.00 0.63 N ATOM 872 CA THR A 55 7.038 7.914 -2.236 1.00 0.61 C ATOM 873 C THR A 55 7.128 6.959 -1.097 1.00 0.59 C ATOM 874 O THR A 55 6.728 7.366 -0.008 1.00 0.64 O ATOM 875 CB THR A 55 8.341 7.925 -2.981 1.00 0.68 C ATOM 876 OG1 THR A 55 9.419 8.241 -2.112 1.00 0.75 O ATOM 877 CG2 THR A 55 8.285 8.878 -4.187 1.00 0.76 C ATOM 0 H THR A 55 7.113 9.910 -1.649 1.00 0.63 H new ATOM 0 HA THR A 55 6.246 7.511 -2.868 1.00 0.61 H new ATOM 0 HB THR A 55 8.516 6.922 -3.370 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.387 9.193 -1.883 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.243 8.864 -4.706 1.00 0.76 H new ATOM 0 HG22 THR A 55 7.498 8.556 -4.869 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.074 9.890 -3.842 1.00 0.76 H new ATOM 885 N LEU A 56 7.495 5.678 -1.279 1.00 0.58 N ATOM 886 CA LEU A 56 7.785 4.840 -0.156 1.00 0.59 C ATOM 887 C LEU A 56 8.898 5.378 0.674 1.00 0.64 C ATOM 888 O LEU A 56 8.814 5.398 1.902 1.00 0.70 O ATOM 889 CB LEU A 56 8.081 3.396 -0.595 1.00 0.60 C ATOM 890 CG LEU A 56 6.902 2.575 -1.144 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.401 1.248 -1.741 1.00 1.05 C ATOM 892 CD2 LEU A 56 5.935 2.118 -0.039 1.00 1.03 C ATOM 0 H LEU A 56 7.590 5.227 -2.189 1.00 0.58 H new ATOM 0 HA LEU A 56 6.890 4.830 0.466 1.00 0.59 H new ATOM 0 HB2 LEU A 56 8.857 3.427 -1.360 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.497 2.861 0.259 1.00 0.60 H new ATOM 0 HG LEU A 56 6.417 3.232 -1.866 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.553 0.680 -2.125 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.098 1.454 -2.554 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.906 0.669 -0.968 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.122 1.543 -0.482 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.470 1.496 0.679 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.526 2.991 0.471 1.00 1.03 H new ATOM 904 N SER A 57 9.932 5.937 0.021 1.00 0.68 N ATOM 905 CA SER A 57 11.100 6.493 0.632 1.00 0.75 C ATOM 906 C SER A 57 10.904 7.688 1.500 1.00 0.76 C ATOM 907 O SER A 57 11.539 7.852 2.540 1.00 0.84 O ATOM 908 CB SER A 57 12.016 6.890 -0.538 1.00 0.84 C ATOM 909 OG SER A 57 13.379 7.077 -0.187 1.00 1.19 O ATOM 0 H SER A 57 9.954 6.005 -0.997 1.00 0.68 H new ATOM 0 HA SER A 57 11.496 5.739 1.312 1.00 0.75 H new ATOM 0 HB2 SER A 57 11.955 6.120 -1.307 1.00 0.84 H new ATOM 0 HB3 SER A 57 11.639 7.812 -0.980 1.00 0.84 H new ATOM 0 HG SER A 57 13.891 7.325 -0.985 1.00 1.19 H new ATOM 915 N ASP A 58 9.995 8.606 1.123 1.00 0.75 N ATOM 916 CA ASP A 58 9.610 9.738 1.908 1.00 0.78 C ATOM 917 C ASP A 58 9.000 9.382 3.220 1.00 0.77 C ATOM 918 O ASP A 58 8.965 10.261 4.080 1.00 0.86 O ATOM 919 CB ASP A 58 8.657 10.611 1.074 1.00 0.83 C ATOM 920 CG ASP A 58 9.330 11.081 -0.207 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.391 11.756 -0.133 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.826 10.728 -1.307 1.00 1.90 O ATOM 0 H ASP A 58 9.506 8.556 0.229 1.00 0.75 H new ATOM 0 HA ASP A 58 10.516 10.290 2.159 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.758 10.044 0.830 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.341 11.474 1.661 1.00 0.83 H new ATOM 927 N TYR A 59 8.440 8.188 3.482 1.00 0.72 N ATOM 928 CA TYR A 59 7.840 7.872 4.741 1.00 0.73 C ATOM 929 C TYR A 59 8.581 6.890 5.581 1.00 0.76 C ATOM 930 O TYR A 59 8.116 6.434 6.624 1.00 0.89 O ATOM 931 CB TYR A 59 6.444 7.286 4.472 1.00 0.73 C ATOM 932 CG TYR A 59 5.550 8.437 4.161 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.260 9.452 5.042 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.922 8.350 2.941 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.386 10.427 4.620 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.973 9.276 2.580 1.00 0.70 C ATOM 937 CZ TYR A 59 3.706 10.323 3.430 1.00 0.74 C ATOM 938 OH TYR A 59 2.712 11.305 3.226 1.00 0.86 O ATOM 0 H TYR A 59 8.403 7.426 2.805 1.00 0.72 H new ATOM 0 HA TYR A 59 7.830 8.807 5.302 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.473 6.583 3.640 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.081 6.737 5.341 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.701 9.483 6.027 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.176 7.549 2.262 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.230 11.297 5.240 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.445 9.183 1.643 1.00 0.70 H new ATOM 0 HH TYR A 59 2.922 11.820 2.419 1.00 0.86 H new ATOM 948 N ASN A 60 9.843 6.563 5.249 1.00 0.74 N ATOM 949 CA ASN A 60 10.713 5.613 5.870 1.00 0.79 C ATOM 950 C ASN A 60 10.275 4.190 5.848 1.00 0.75 C ATOM 951 O ASN A 60 10.484 3.397 6.765 1.00 0.86 O ATOM 952 CB ASN A 60 11.304 6.148 7.186 1.00 0.95 C ATOM 953 CG ASN A 60 12.756 5.755 7.419 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.309 4.879 6.756 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.384 6.393 8.442 1.00 1.83 N ATOM 0 H ASN A 60 10.301 7.016 4.458 1.00 0.74 H new ATOM 0 HA ASN A 60 11.568 5.520 5.200 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.228 7.235 7.191 1.00 0.95 H new ATOM 0 HB3 ASN A 60 10.702 5.782 8.018 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.345 6.150 8.681 1.00 1.83 H new ATOM 0 HD22 ASN A 60 12.894 7.115 8.970 1.00 1.83 H new ATOM 962 N ILE A 61 9.699 3.843 4.683 1.00 0.67 N ATOM 963 CA ILE A 61 9.227 2.526 4.386 1.00 0.65 C ATOM 964 C ILE A 61 10.267 1.679 3.736 1.00 0.66 C ATOM 965 O ILE A 61 10.589 1.966 2.585 1.00 0.75 O ATOM 966 CB ILE A 61 7.936 2.494 3.623 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.909 3.453 4.248 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.398 1.056 3.542 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.538 3.357 3.582 1.00 0.82 C ATOM 0 H ILE A 61 9.557 4.504 3.919 1.00 0.67 H new ATOM 0 HA ILE A 61 9.006 2.088 5.360 1.00 0.65 H new ATOM 0 HB ILE A 61 8.121 2.837 2.605 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.809 3.231 5.311 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.277 4.476 4.169 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.461 1.049 2.985 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.126 0.423 3.035 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.225 0.675 4.548 1.00 0.72 H new ATOM 0 HD11 ILE A 61 4.851 4.055 4.061 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.629 3.606 2.525 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.154 2.342 3.684 1.00 0.82 H new ATOM 981 N GLN A 62 10.908 0.696 4.396 1.00 0.67 N ATOM 982 CA GLN A 62 11.988 -0.078 3.871 1.00 0.70 C ATOM 983 C GLN A 62 11.412 -1.367 3.393 1.00 0.62 C ATOM 984 O GLN A 62 10.203 -1.583 3.457 1.00 0.64 O ATOM 985 CB GLN A 62 13.060 -0.316 4.948 1.00 0.85 C ATOM 986 CG GLN A 62 12.585 -1.273 6.042 1.00 1.27 C ATOM 987 CD GLN A 62 13.503 -1.315 7.255 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.675 -1.689 7.236 1.00 2.08 O ATOM 989 NE2 GLN A 62 12.870 -0.986 8.414 1.00 2.16 N ATOM 0 H GLN A 62 10.657 0.428 5.348 1.00 0.67 H new ATOM 0 HA GLN A 62 12.477 0.447 3.050 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.958 -0.720 4.480 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.337 0.637 5.398 1.00 0.85 H new ATOM 0 HG2 GLN A 62 11.586 -0.978 6.363 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.502 -2.276 5.625 1.00 1.27 H new ATOM 0 HE21 GLN A 62 11.897 -0.679 8.395 1.00 2.16 H new ATOM 0 HE22 GLN A 62 13.368 -1.046 9.302 1.00 2.16 H new ATOM 998 N LYS A 63 12.303 -2.304 3.023 1.00 0.64 N ATOM 999 CA LYS A 63 12.013 -3.641 2.600 1.00 0.62 C ATOM 1000 C LYS A 63 11.332 -4.502 3.608 1.00 0.59 C ATOM 1001 O LYS A 63 11.547 -4.361 4.811 1.00 0.66 O ATOM 1002 CB LYS A 63 13.173 -4.436 1.978 1.00 0.74 C ATOM 1003 CG LYS A 63 14.332 -4.727 2.934 1.00 0.89 C ATOM 1004 CD LYS A 63 15.345 -5.689 2.313 1.00 1.11 C ATOM 1005 CE LYS A 63 16.485 -6.110 3.245 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.892 -6.866 4.371 1.00 2.12 N ATOM 0 H LYS A 63 13.305 -2.111 3.019 1.00 0.64 H new ATOM 0 HA LYS A 63 11.308 -3.414 1.800 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.786 -5.382 1.599 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.557 -3.883 1.121 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.830 -3.794 3.198 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.943 -5.154 3.859 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.819 -6.583 1.979 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.773 -5.221 1.426 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.208 -6.726 2.710 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.021 -5.235 3.612 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.642 -7.378 4.879 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.421 -6.206 5.022 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.196 -7.546 4.004 1.00 2.12 H new ATOM 1020 N GLU A 64 10.497 -5.450 3.145 1.00 0.57 N ATOM 1021 CA GLU A 64 9.835 -6.429 3.950 1.00 0.58 C ATOM 1022 C GLU A 64 8.803 -5.906 4.890 1.00 0.56 C ATOM 1023 O GLU A 64 8.382 -6.583 5.826 1.00 0.70 O ATOM 1024 CB GLU A 64 10.750 -7.472 4.615 1.00 0.72 C ATOM 1025 CG GLU A 64 11.590 -8.291 3.631 1.00 0.96 C ATOM 1026 CD GLU A 64 12.759 -9.065 4.223 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.550 -9.809 5.218 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.866 -9.014 3.624 1.00 1.69 O ATOM 0 H GLU A 64 10.272 -5.537 2.154 1.00 0.57 H new ATOM 0 HA GLU A 64 9.278 -6.974 3.188 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.418 -6.962 5.309 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.137 -8.153 5.205 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.932 -8.998 3.126 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.978 -7.616 2.868 1.00 0.96 H new ATOM 1035 N SER A 65 8.372 -4.641 4.742 1.00 0.51 N ATOM 1036 CA SER A 65 7.426 -3.960 5.570 1.00 0.51 C ATOM 1037 C SER A 65 6.061 -4.549 5.470 1.00 0.43 C ATOM 1038 O SER A 65 5.636 -5.002 4.407 1.00 0.50 O ATOM 1039 CB SER A 65 7.338 -2.445 5.316 1.00 0.65 C ATOM 1040 OG SER A 65 8.634 -1.883 5.470 1.00 1.04 O ATOM 0 H SER A 65 8.712 -4.049 3.984 1.00 0.51 H new ATOM 0 HA SER A 65 7.814 -4.101 6.579 1.00 0.51 H new ATOM 0 HB2 SER A 65 6.958 -2.251 4.313 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.640 -1.984 6.015 1.00 0.65 H new ATOM 0 HG SER A 65 9.192 -2.133 4.704 1.00 1.04 H new ATOM 1046 N THR A 66 5.275 -4.491 6.559 1.00 0.45 N ATOM 1047 CA THR A 66 3.909 -4.911 6.513 1.00 0.45 C ATOM 1048 C THR A 66 2.902 -3.814 6.469 1.00 0.43 C ATOM 1049 O THR A 66 2.579 -3.142 7.447 1.00 0.58 O ATOM 1050 CB THR A 66 3.626 -5.801 7.688 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.409 -6.966 7.474 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.227 -6.438 7.615 1.00 0.78 C ATOM 0 H THR A 66 5.584 -4.154 7.471 1.00 0.45 H new ATOM 0 HA THR A 66 3.799 -5.438 5.565 1.00 0.45 H new ATOM 0 HB THR A 66 3.782 -5.211 8.591 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.270 -7.594 8.214 1.00 0.79 H new ATOM 0 HG21 THR A 66 2.070 -7.073 8.487 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.471 -5.653 7.596 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.148 -7.040 6.710 1.00 0.78 H new ATOM 1060 N LEU A 67 2.418 -3.494 5.256 1.00 0.38 N ATOM 1061 CA LEU A 67 1.465 -2.465 4.975 1.00 0.38 C ATOM 1062 C LEU A 67 0.046 -2.906 5.088 1.00 0.37 C ATOM 1063 O LEU A 67 -0.264 -4.065 4.817 1.00 0.50 O ATOM 1064 CB LEU A 67 1.486 -1.848 3.566 1.00 0.46 C ATOM 1065 CG LEU A 67 2.628 -0.947 3.065 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.028 -1.566 3.225 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.339 -0.341 1.681 1.00 1.31 C ATOM 0 H LEU A 67 2.713 -3.989 4.414 1.00 0.38 H new ATOM 0 HA LEU A 67 1.784 -1.745 5.729 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.415 -2.678 2.863 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.568 -1.268 3.468 1.00 0.46 H new ATOM 0 HG LEU A 67 2.658 -0.093 3.741 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.778 -0.870 2.849 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.217 -1.770 4.279 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.081 -2.497 2.660 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.177 0.286 1.376 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.202 -1.142 0.955 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.433 0.263 1.730 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.904 -2.009 5.403 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.277 -2.312 5.667 1.00 0.37 C ATOM 1081 C HIS A 68 -3.150 -1.584 4.705 1.00 0.35 C ATOM 1082 O HIS A 68 -3.108 -0.364 4.550 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.670 -1.749 7.043 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.067 -2.430 8.237 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -2.280 -2.093 9.557 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.245 -3.513 8.294 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.527 -2.934 10.316 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.892 -3.833 9.589 1.00 1.51 N ATOM 0 H HIS A 68 -0.702 -1.012 5.478 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.397 -3.393 5.602 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.392 -0.695 7.074 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.755 -1.795 7.134 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.908 -4.059 7.426 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -1.457 -2.873 11.392 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.284 -4.587 9.909 1.00 1.51 H new ATOM 1096 N LEU A 69 -4.067 -2.325 4.057 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.935 -1.812 3.043 1.00 0.38 C ATOM 1098 C LEU A 69 -6.277 -1.395 3.536 1.00 0.41 C ATOM 1099 O LEU A 69 -7.000 -2.189 4.138 1.00 0.56 O ATOM 1100 CB LEU A 69 -5.233 -2.841 1.940 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.919 -2.351 0.653 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.118 -1.256 -0.071 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.127 -3.555 -0.281 1.00 1.14 C ATOM 0 H LEU A 69 -4.209 -3.317 4.246 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.375 -0.953 2.672 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.290 -3.308 1.657 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.858 -3.622 2.373 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.874 -1.904 0.930 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.651 -0.950 -0.971 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.997 -0.397 0.589 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.137 -1.644 -0.345 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.613 -3.224 -1.199 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.161 -4.000 -0.522 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.754 -4.296 0.215 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.705 -0.164 3.203 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.985 0.373 3.546 1.00 0.56 C ATOM 1117 C VAL A 70 -8.690 1.018 2.401 1.00 0.55 C ATOM 1118 O VAL A 70 -8.144 1.341 1.347 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.004 1.305 4.721 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.908 0.721 5.820 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.605 1.557 5.308 1.00 0.97 C ATOM 0 H VAL A 70 -6.130 0.488 2.669 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.527 -0.525 3.843 1.00 0.56 H new ATOM 0 HB VAL A 70 -8.386 2.261 4.364 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.924 1.396 6.675 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.920 0.602 5.433 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -8.522 -0.250 6.131 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.683 2.239 6.155 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.175 0.613 5.641 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.964 1.999 4.545 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.021 1.131 2.549 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.888 1.614 1.519 1.00 0.84 C ATOM 1133 C LEU A 71 -11.019 3.097 1.588 1.00 0.85 C ATOM 1134 O LEU A 71 -11.170 3.677 2.663 1.00 1.03 O ATOM 1135 CB LEU A 71 -12.307 1.042 1.665 1.00 1.26 C ATOM 1136 CG LEU A 71 -13.288 1.337 0.518 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -13.133 0.286 -0.594 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -14.706 1.157 1.087 1.00 2.78 C ATOM 0 H LEU A 71 -10.509 0.880 3.409 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.444 1.301 0.574 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.229 -0.039 1.777 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.737 1.428 2.589 1.00 1.26 H new ATOM 0 HG LEU A 71 -13.104 2.336 0.123 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -13.832 0.504 -1.401 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.114 0.312 -0.980 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.343 -0.704 -0.190 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -15.440 1.357 0.306 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -14.827 0.135 1.446 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -14.857 1.852 1.913 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.014 3.824 0.457 1.00 0.92 N ATOM 1151 CA ARG A 72 -11.169 5.245 0.453 1.00 1.10 C ATOM 1152 C ARG A 72 -12.597 5.506 0.119 1.00 1.35 C ATOM 1153 O ARG A 72 -13.283 4.906 -0.707 1.00 1.56 O ATOM 1154 CB ARG A 72 -10.314 5.866 -0.666 1.00 1.34 C ATOM 1155 CG ARG A 72 -10.025 7.353 -0.451 1.00 1.65 C ATOM 1156 CD ARG A 72 -8.999 7.891 -1.449 1.00 1.99 C ATOM 1157 NE ARG A 72 -8.671 9.262 -0.964 1.00 2.54 N ATOM 1158 CZ ARG A 72 -7.532 9.840 -1.444 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -6.750 9.342 -2.447 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -7.180 11.055 -0.932 1.00 3.75 N ATOM 0 H ARG A 72 -10.900 3.418 -0.472 1.00 0.92 H new ATOM 0 HA ARG A 72 -10.871 5.666 1.413 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -9.370 5.326 -0.735 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -10.826 5.736 -1.620 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -10.952 7.919 -0.544 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -9.658 7.507 0.564 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -8.111 7.260 -1.480 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -9.407 7.917 -2.459 1.00 1.99 H new ATOM 0 HE ARG A 72 -9.274 9.748 -0.300 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -7.003 8.466 -2.903 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -5.913 9.847 -2.740 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -7.761 11.496 -0.219 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -6.336 11.523 -1.263 1.00 3.75 H new ATOM 1174 N LEU A 73 -13.082 6.515 0.864 1.00 1.54 N ATOM 1175 CA LEU A 73 -14.372 7.109 0.693 1.00 1.93 C ATOM 1176 C LEU A 73 -13.960 8.541 0.689 1.00 2.13 C ATOM 1177 O LEU A 73 -13.506 9.050 1.711 1.00 2.57 O ATOM 1178 CB LEU A 73 -15.291 6.807 1.888 1.00 2.23 C ATOM 1179 CG LEU A 73 -15.896 5.397 1.999 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -16.047 5.020 3.483 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.220 5.055 1.298 1.00 3.14 C ATOM 0 H LEU A 73 -12.548 6.938 1.623 1.00 1.54 H new ATOM 0 HA LEU A 73 -14.936 6.770 -0.176 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -14.726 7.000 2.800 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -16.114 7.522 1.865 1.00 2.23 H new ATOM 0 HG LEU A 73 -15.165 4.817 1.436 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -16.476 4.021 3.563 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -15.069 5.035 3.963 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -16.704 5.737 3.976 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -17.478 4.015 1.496 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.010 5.704 1.676 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -17.112 5.204 0.224 1.00 3.14 H new ATOM 1193 N ARG A 74 -14.092 9.247 -0.449 1.00 2.32 N ATOM 1194 CA ARG A 74 -13.928 10.666 -0.378 1.00 2.55 C ATOM 1195 C ARG A 74 -15.112 11.458 0.062 1.00 2.58 C ATOM 1196 O ARG A 74 -16.251 11.021 -0.096 1.00 3.08 O ATOM 1197 CB ARG A 74 -13.437 11.094 -1.771 1.00 3.29 C ATOM 1198 CG ARG A 74 -11.992 10.703 -2.086 1.00 4.01 C ATOM 1199 CD ARG A 74 -11.540 11.198 -3.462 1.00 4.67 C ATOM 1200 NE ARG A 74 -12.171 10.381 -4.536 1.00 5.36 N ATOM 1201 CZ ARG A 74 -12.462 10.935 -5.749 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -12.075 12.184 -6.139 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -13.280 10.246 -6.597 1.00 6.80 N ATOM 0 H ARG A 74 -14.301 8.863 -1.371 1.00 2.32 H new ATOM 0 HA ARG A 74 -13.217 10.886 0.418 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -14.091 10.653 -2.523 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -13.534 12.176 -1.859 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -11.333 11.113 -1.321 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -11.894 9.618 -2.043 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -11.811 12.247 -3.586 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -10.454 11.138 -3.540 1.00 4.67 H new ATOM 0 HE ARG A 74 -12.387 9.399 -4.363 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -11.530 12.770 -5.506 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -12.330 12.532 -7.063 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -13.657 9.340 -6.318 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -13.514 10.637 -7.510 1.00 6.80 H new ATOM 1217 N GLY A 75 -14.825 12.568 0.765 1.00 2.73 N ATOM 1218 CA GLY A 75 -15.890 13.248 1.435 1.00 3.22 C ATOM 1219 C GLY A 75 -15.309 14.375 2.218 1.00 3.16 C ATOM 1220 O GLY A 75 -15.335 15.542 1.831 1.00 3.57 O ATOM 0 H GLY A 75 -13.898 12.981 0.869 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -16.615 13.622 0.712 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -16.422 12.563 2.095 1.00 3.22 H new ATOM 1224 N GLY A 76 -14.697 14.040 3.368 1.00 3.14 N ATOM 1225 CA GLY A 76 -14.064 15.067 4.135 1.00 3.37 C ATOM 1226 C GLY A 76 -12.543 15.011 4.154 1.00 3.48 C ATOM 1227 O GLY A 76 -11.944 14.034 4.678 1.00 3.87 O ATOM 1228 OXT GLY A 76 -11.919 16.001 3.689 1.00 3.70 O ATOM 0 H GLY A 76 -14.640 13.098 3.755 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -14.372 16.036 3.741 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -14.428 15.010 5.161 1.00 3.37 H new TER 1232 GLY A 76