USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 25 ASN : amide:sc= 0.154 K(o=0.32,f=-0.61) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -145:sc= 0.162 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.585 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0139 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 142:sc= 1.7 (180deg=0.74) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.354 USER MOD Single : A 1 MET CE :methyl 144:sc= -0.0207 (180deg=-0.509) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.25 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc=-0.00103 X(o=-0.001,f=-0.02) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 1.09 (180deg=0.984) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 166:sc= 2.25 (180deg=1.71) USER MOD Single : A 31 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.13) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 41 GLN : amide:sc= 0.388 K(o=0.39,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.018) USER MOD Single : A 49 GLN : amide:sc= -0.58 K(o=-0.58,f=-1.5) USER MOD Single : A 55 THR OG1 : rot -33:sc= 1.36 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.864 USER MOD Single : A 60 ASN : amide:sc= -0.026 K(o=-0.026,f=-0.89) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.024 -4.233 -3.782 1.00 0.78 N ATOM 2 CA MET A 1 12.841 -4.998 -2.528 1.00 0.70 C ATOM 3 C MET A 1 11.469 -5.533 -2.299 1.00 0.62 C ATOM 4 O MET A 1 10.508 -4.984 -2.835 1.00 0.68 O ATOM 5 CB MET A 1 13.223 -4.060 -1.371 1.00 0.75 C ATOM 6 CG MET A 1 12.203 -2.995 -0.962 1.00 0.79 C ATOM 7 SD MET A 1 12.852 -1.645 0.068 1.00 1.10 S ATOM 8 CE MET A 1 11.257 -0.797 0.248 1.00 0.84 C ATOM 0 H1 MET A 1 13.878 -3.644 -3.708 1.00 0.78 H new ATOM 0 H2 MET A 1 13.127 -4.893 -4.579 1.00 0.78 H new ATOM 0 H3 MET A 1 12.196 -3.624 -3.941 1.00 0.78 H new ATOM 0 HA MET A 1 13.473 -5.883 -2.596 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.438 -4.674 -0.496 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.150 -3.553 -1.640 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.771 -2.564 -1.865 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.391 -3.483 -0.422 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.185 -0.365 1.246 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.180 -0.004 -0.496 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.447 -1.511 0.102 1.00 0.84 H new ATOM 20 N GLN A 2 11.315 -6.651 -1.567 1.00 0.59 N ATOM 21 CA GLN A 2 10.018 -7.228 -1.392 1.00 0.56 C ATOM 22 C GLN A 2 9.315 -6.544 -0.271 1.00 0.50 C ATOM 23 O GLN A 2 10.046 -6.170 0.645 1.00 0.60 O ATOM 24 CB GLN A 2 10.104 -8.704 -0.967 1.00 0.71 C ATOM 25 CG GLN A 2 8.803 -9.423 -0.606 1.00 1.15 C ATOM 26 CD GLN A 2 9.083 -10.916 -0.699 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.414 -11.575 0.286 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.077 -11.489 -1.932 1.00 1.72 N ATOM 0 H GLN A 2 12.075 -7.149 -1.103 1.00 0.59 H new ATOM 0 HA GLN A 2 9.501 -7.126 -2.346 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.578 -9.258 -1.777 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.770 -8.766 -0.106 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.478 -9.153 0.399 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.002 -9.137 -1.287 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.802 -10.941 -2.748 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.347 -12.466 -2.041 1.00 1.72 H new ATOM 37 N ILE A 3 7.980 -6.474 -0.414 1.00 0.44 N ATOM 38 CA ILE A 3 7.164 -6.033 0.674 1.00 0.42 C ATOM 39 C ILE A 3 5.912 -6.840 0.666 1.00 0.40 C ATOM 40 O ILE A 3 5.609 -7.545 -0.296 1.00 0.50 O ATOM 41 CB ILE A 3 6.776 -4.584 0.708 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.980 -4.071 -0.504 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.951 -3.615 0.915 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.152 -2.888 -0.001 1.00 0.72 C ATOM 0 H ILE A 3 7.473 -6.717 -1.265 1.00 0.44 H new ATOM 0 HA ILE A 3 7.790 -6.170 1.556 1.00 0.42 H new ATOM 0 HB ILE A 3 6.123 -4.582 1.581 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.649 -3.764 -1.308 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.337 -4.853 -0.907 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.580 -2.590 0.927 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.441 -3.834 1.864 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.667 -3.732 0.102 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.563 -2.481 -0.823 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.484 -3.223 0.793 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.818 -2.116 0.386 1.00 0.72 H new ATOM 56 N PHE A 4 5.110 -6.754 1.743 1.00 0.37 N ATOM 57 CA PHE A 4 3.798 -7.315 1.832 1.00 0.38 C ATOM 58 C PHE A 4 2.713 -6.316 2.034 1.00 0.39 C ATOM 59 O PHE A 4 3.004 -5.233 2.541 1.00 0.60 O ATOM 60 CB PHE A 4 3.926 -8.252 3.046 1.00 0.45 C ATOM 61 CG PHE A 4 5.065 -9.206 2.940 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.067 -10.281 2.082 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.211 -8.890 3.630 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.132 -11.141 1.949 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.255 -9.784 3.572 1.00 1.40 C ATOM 66 CZ PHE A 4 7.250 -10.838 2.690 1.00 0.85 C ATOM 0 H PHE A 4 5.392 -6.268 2.594 1.00 0.37 H new ATOM 0 HA PHE A 4 3.505 -7.805 0.903 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.047 -7.652 3.948 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.000 -8.815 3.160 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.187 -10.459 1.482 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.289 -7.974 4.197 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.093 -12.004 1.301 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.098 -9.655 4.235 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.140 -11.439 2.577 1.00 0.85 H new ATOM 76 N VAL A 5 1.451 -6.611 1.676 1.00 0.35 N ATOM 77 CA VAL A 5 0.418 -5.639 1.860 1.00 0.35 C ATOM 78 C VAL A 5 -0.661 -6.468 2.467 1.00 0.35 C ATOM 79 O VAL A 5 -1.020 -7.527 1.952 1.00 0.46 O ATOM 80 CB VAL A 5 0.005 -4.845 0.656 1.00 0.44 C ATOM 81 CG1 VAL A 5 -0.980 -3.731 1.050 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.270 -4.232 0.032 1.00 0.56 C ATOM 0 H VAL A 5 1.150 -7.497 1.270 1.00 0.35 H new ATOM 0 HA VAL A 5 0.746 -4.804 2.479 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.497 -5.496 -0.060 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.266 -3.168 0.162 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.868 -4.173 1.501 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.504 -3.061 1.767 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.996 -3.649 -0.847 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.757 -3.584 0.760 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.954 -5.029 -0.260 1.00 0.56 H new ATOM 92 N LYS A 6 -1.229 -6.053 3.613 1.00 0.36 N ATOM 93 CA LYS A 6 -2.205 -6.807 4.337 1.00 0.39 C ATOM 94 C LYS A 6 -3.632 -6.432 4.135 1.00 0.46 C ATOM 95 O LYS A 6 -4.091 -5.364 4.540 1.00 0.53 O ATOM 96 CB LYS A 6 -1.762 -6.665 5.803 1.00 0.54 C ATOM 97 CG LYS A 6 -2.614 -7.413 6.830 1.00 1.22 C ATOM 98 CD LYS A 6 -2.708 -8.912 6.539 1.00 1.37 C ATOM 99 CE LYS A 6 -1.410 -9.675 6.271 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.715 -11.122 6.316 1.00 2.09 N ATOM 0 H LYS A 6 -1.001 -5.161 4.051 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.219 -7.833 3.970 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.733 -7.015 5.888 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.761 -5.606 6.062 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.191 -7.266 7.824 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.617 -6.986 6.844 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -3.205 -9.386 7.386 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -3.357 -9.044 5.674 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.001 -9.402 5.299 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.657 -9.421 7.017 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.164 -11.616 5.585 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.465 -11.500 7.252 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -2.730 -11.268 6.143 1.00 2.09 H new ATOM 114 N THR A 7 -4.378 -7.277 3.402 1.00 0.58 N ATOM 115 CA THR A 7 -5.780 -7.141 3.147 1.00 0.78 C ATOM 116 C THR A 7 -6.588 -7.101 4.399 1.00 0.94 C ATOM 117 O THR A 7 -6.055 -7.374 5.473 1.00 0.99 O ATOM 118 CB THR A 7 -6.413 -8.077 2.160 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.739 -9.363 2.667 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.451 -8.353 0.992 1.00 0.92 C ATOM 0 H THR A 7 -3.979 -8.105 2.961 1.00 0.58 H new ATOM 0 HA THR A 7 -5.802 -6.174 2.644 1.00 0.78 H new ATOM 0 HB THR A 7 -7.329 -7.560 1.874 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.147 -9.901 1.957 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.924 -9.034 0.284 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.211 -7.416 0.489 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.536 -8.805 1.374 1.00 0.92 H new ATOM 128 N LEU A 8 -7.859 -6.678 4.288 1.00 1.17 N ATOM 129 CA LEU A 8 -8.904 -6.590 5.260 1.00 1.39 C ATOM 130 C LEU A 8 -9.216 -7.930 5.831 1.00 1.44 C ATOM 131 O LEU A 8 -9.059 -8.206 7.019 1.00 1.60 O ATOM 132 CB LEU A 8 -10.139 -5.766 4.858 1.00 1.66 C ATOM 133 CG LEU A 8 -9.844 -4.270 4.668 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.066 -3.469 4.187 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.218 -3.569 5.886 1.00 2.43 C ATOM 0 H LEU A 8 -8.197 -6.352 3.383 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.498 -5.977 6.064 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.548 -6.168 3.931 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.908 -5.882 5.622 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.089 -4.274 3.882 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.792 -2.420 4.072 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.405 -3.862 3.228 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.869 -3.556 4.919 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.048 -2.518 5.653 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.894 -3.647 6.738 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.268 -4.045 6.131 1.00 2.43 H new ATOM 147 N THR A 9 -9.531 -8.931 4.990 1.00 1.41 N ATOM 148 CA THR A 9 -9.862 -10.216 5.521 1.00 1.51 C ATOM 149 C THR A 9 -8.672 -10.991 5.971 1.00 1.37 C ATOM 150 O THR A 9 -8.878 -12.068 6.529 1.00 1.62 O ATOM 151 CB THR A 9 -10.624 -11.003 4.496 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.001 -11.012 3.221 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.964 -10.265 4.325 1.00 2.08 C ATOM 0 H THR A 9 -9.557 -8.857 3.973 1.00 1.41 H new ATOM 0 HA THR A 9 -10.476 -10.045 6.405 1.00 1.51 H new ATOM 0 HB THR A 9 -10.703 -12.036 4.834 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.541 -11.540 2.597 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.575 -10.786 3.588 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.490 -10.240 5.279 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.777 -9.246 3.987 1.00 2.08 H new ATOM 161 N GLY A 10 -7.416 -10.622 5.663 1.00 1.18 N ATOM 162 CA GLY A 10 -6.249 -11.161 6.288 1.00 1.22 C ATOM 163 C GLY A 10 -5.220 -11.630 5.318 1.00 0.99 C ATOM 164 O GLY A 10 -4.146 -12.117 5.668 1.00 1.31 O ATOM 0 H GLY A 10 -7.206 -9.922 4.952 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.809 -10.402 6.934 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.541 -11.994 6.928 1.00 1.22 H new ATOM 168 N LYS A 11 -5.406 -11.490 3.993 1.00 0.73 N ATOM 169 CA LYS A 11 -4.496 -12.014 3.022 1.00 0.60 C ATOM 170 C LYS A 11 -3.253 -11.209 2.859 1.00 0.51 C ATOM 171 O LYS A 11 -3.364 -9.987 2.935 1.00 0.63 O ATOM 172 CB LYS A 11 -5.141 -12.165 1.635 1.00 0.75 C ATOM 173 CG LYS A 11 -4.318 -12.915 0.586 1.00 0.87 C ATOM 174 CD LYS A 11 -5.102 -13.158 -0.705 1.00 1.04 C ATOM 175 CE LYS A 11 -5.303 -11.906 -1.561 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.711 -12.303 -2.926 1.00 1.40 N ATOM 0 H LYS A 11 -6.205 -11.003 3.588 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.228 -12.991 3.424 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.094 -12.680 1.755 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.362 -11.170 1.250 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.417 -12.345 0.359 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -3.995 -13.871 0.997 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.581 -13.910 -1.297 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.078 -13.572 -0.452 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.063 -11.265 -1.114 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.380 -11.327 -1.600 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.962 -11.455 -3.474 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -4.924 -12.797 -3.394 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.534 -12.937 -2.872 1.00 1.40 H new ATOM 190 N THR A 12 -2.090 -11.846 2.634 1.00 0.49 N ATOM 191 CA THR A 12 -0.892 -11.199 2.199 1.00 0.48 C ATOM 192 C THR A 12 -0.832 -11.049 0.717 1.00 0.52 C ATOM 193 O THR A 12 -0.835 -12.062 0.019 1.00 0.72 O ATOM 194 CB THR A 12 0.340 -11.907 2.683 1.00 0.64 C ATOM 195 OG1 THR A 12 0.233 -11.905 4.099 1.00 0.77 O ATOM 196 CG2 THR A 12 1.569 -11.108 2.216 1.00 0.78 C ATOM 0 H THR A 12 -1.980 -12.852 2.760 1.00 0.49 H new ATOM 0 HA THR A 12 -0.920 -10.204 2.643 1.00 0.48 H new ATOM 0 HB THR A 12 0.440 -12.924 2.303 1.00 0.64 H new ATOM 0 HG1 THR A 12 1.011 -12.358 4.486 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.477 -11.605 2.557 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.574 -11.051 1.128 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.528 -10.101 2.632 1.00 0.78 H new ATOM 204 N ILE A 13 -0.621 -9.801 0.263 1.00 0.48 N ATOM 205 CA ILE A 13 -0.362 -9.437 -1.096 1.00 0.55 C ATOM 206 C ILE A 13 1.113 -9.240 -1.168 1.00 0.51 C ATOM 207 O ILE A 13 1.639 -8.296 -0.581 1.00 0.56 O ATOM 208 CB ILE A 13 -0.981 -8.191 -1.657 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.505 -8.113 -1.463 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.706 -8.236 -3.169 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.042 -6.729 -1.826 1.00 1.55 C ATOM 0 H ILE A 13 -0.632 -8.994 0.886 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.808 -10.235 -1.690 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.556 -7.329 -1.142 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.991 -8.868 -2.081 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.754 -8.341 -0.427 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.133 -7.352 -3.643 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.370 -8.257 -3.343 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.160 -9.131 -3.595 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.122 -6.707 -1.678 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.573 -5.978 -1.190 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.815 -6.513 -2.870 1.00 1.55 H new ATOM 223 N THR A 14 1.855 -10.092 -1.898 1.00 0.55 N ATOM 224 CA THR A 14 3.262 -9.840 -1.918 1.00 0.54 C ATOM 225 C THR A 14 3.556 -8.890 -3.028 1.00 0.55 C ATOM 226 O THR A 14 2.896 -8.993 -4.061 1.00 0.72 O ATOM 227 CB THR A 14 4.125 -11.046 -2.145 1.00 0.67 C ATOM 228 OG1 THR A 14 3.710 -12.109 -1.301 1.00 1.08 O ATOM 229 CG2 THR A 14 5.612 -10.833 -1.818 1.00 1.03 C ATOM 0 H THR A 14 1.519 -10.892 -2.434 1.00 0.55 H new ATOM 0 HA THR A 14 3.500 -9.455 -0.926 1.00 0.54 H new ATOM 0 HB THR A 14 4.015 -11.261 -3.208 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.278 -12.892 -1.458 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.162 -11.754 -2.010 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.011 -10.034 -2.443 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.718 -10.559 -0.768 1.00 1.03 H new ATOM 237 N LEU A 15 4.534 -7.976 -2.901 1.00 0.50 N ATOM 238 CA LEU A 15 4.879 -7.121 -3.995 1.00 0.55 C ATOM 239 C LEU A 15 6.357 -6.942 -4.033 1.00 0.52 C ATOM 240 O LEU A 15 7.050 -7.428 -3.140 1.00 0.58 O ATOM 241 CB LEU A 15 4.262 -5.722 -3.830 1.00 0.69 C ATOM 242 CG LEU A 15 2.728 -5.619 -3.876 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.297 -4.207 -3.445 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.048 -6.058 -5.184 1.00 1.55 C ATOM 0 H LEU A 15 5.080 -7.829 -2.052 1.00 0.50 H new ATOM 0 HA LEU A 15 4.502 -7.586 -4.906 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.599 -5.315 -2.877 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.667 -5.080 -4.612 1.00 0.69 H new ATOM 0 HG LEU A 15 2.367 -6.363 -3.166 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.210 -4.133 -3.477 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.644 -4.015 -2.430 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.731 -3.471 -4.122 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.969 -5.938 -5.091 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.412 -5.443 -6.007 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.281 -7.104 -5.382 1.00 1.55 H new ATOM 256 N GLU A 16 6.855 -6.247 -5.072 1.00 0.59 N ATOM 257 CA GLU A 16 8.181 -5.728 -5.195 1.00 0.63 C ATOM 258 C GLU A 16 8.139 -4.269 -5.496 1.00 0.65 C ATOM 259 O GLU A 16 7.580 -3.811 -6.492 1.00 0.81 O ATOM 260 CB GLU A 16 8.993 -6.480 -6.264 1.00 0.76 C ATOM 261 CG GLU A 16 10.409 -5.945 -6.491 1.00 1.41 C ATOM 262 CD GLU A 16 11.241 -6.848 -7.390 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.980 -6.764 -8.619 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.985 -7.685 -6.813 1.00 1.95 O ATOM 0 H GLU A 16 6.284 -6.032 -5.889 1.00 0.59 H new ATOM 0 HA GLU A 16 8.685 -5.878 -4.240 1.00 0.63 H new ATOM 0 HB2 GLU A 16 9.058 -7.530 -5.978 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.449 -6.440 -7.208 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.351 -4.951 -6.935 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.910 -5.835 -5.529 1.00 1.41 H new ATOM 271 N VAL A 17 8.728 -3.449 -4.607 1.00 0.61 N ATOM 272 CA VAL A 17 8.799 -2.023 -4.684 1.00 0.63 C ATOM 273 C VAL A 17 10.217 -1.566 -4.693 1.00 0.65 C ATOM 274 O VAL A 17 11.027 -2.291 -4.119 1.00 0.76 O ATOM 275 CB VAL A 17 8.126 -1.366 -3.514 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.656 -1.817 -3.555 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.773 -1.837 -2.201 1.00 0.92 C ATOM 0 H VAL A 17 9.189 -3.812 -3.772 1.00 0.61 H new ATOM 0 HA VAL A 17 8.293 -1.741 -5.607 1.00 0.63 H new ATOM 0 HB VAL A 17 8.217 -0.281 -3.564 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.114 -1.368 -2.723 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.204 -1.500 -4.495 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.606 -2.903 -3.476 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.278 -1.355 -1.358 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.670 -2.918 -2.112 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.830 -1.572 -2.201 1.00 0.92 H new ATOM 287 N GLU A 18 10.659 -0.420 -5.242 1.00 0.68 N ATOM 288 CA GLU A 18 11.876 0.165 -4.772 1.00 0.74 C ATOM 289 C GLU A 18 11.599 1.311 -3.858 1.00 0.71 C ATOM 290 O GLU A 18 10.427 1.658 -3.722 1.00 0.74 O ATOM 291 CB GLU A 18 12.600 0.865 -5.933 1.00 0.88 C ATOM 292 CG GLU A 18 13.463 -0.057 -6.797 1.00 1.16 C ATOM 293 CD GLU A 18 14.865 -0.333 -6.273 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.560 0.627 -5.845 1.00 2.33 O ATOM 295 OE2 GLU A 18 15.315 -1.506 -6.182 1.00 2.35 O ATOM 0 H GLU A 18 10.189 0.090 -5.990 1.00 0.68 H new ATOM 0 HA GLU A 18 12.438 -0.643 -4.304 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.857 1.346 -6.569 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.231 1.655 -5.526 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.944 -1.009 -6.911 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.547 0.381 -7.792 1.00 1.16 H new ATOM 302 N PRO A 19 12.563 1.938 -3.252 1.00 0.74 N ATOM 303 CA PRO A 19 12.208 3.012 -2.371 1.00 0.74 C ATOM 304 C PRO A 19 11.806 4.210 -3.160 1.00 0.70 C ATOM 305 O PRO A 19 11.083 5.061 -2.643 1.00 0.74 O ATOM 306 CB PRO A 19 13.500 3.279 -1.602 1.00 0.86 C ATOM 307 CG PRO A 19 14.189 1.911 -1.479 1.00 0.95 C ATOM 308 CD PRO A 19 13.811 1.312 -2.844 1.00 0.82 C ATOM 0 HA PRO A 19 11.368 2.777 -1.718 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.133 3.992 -2.131 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.293 3.705 -0.620 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.267 1.996 -1.343 1.00 0.95 H new ATOM 0 HG3 PRO A 19 13.808 1.324 -0.644 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.595 1.500 -3.578 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.695 0.231 -2.772 1.00 0.82 H new ATOM 316 N SER A 20 12.231 4.242 -4.436 1.00 0.70 N ATOM 317 CA SER A 20 11.886 5.293 -5.342 1.00 0.74 C ATOM 318 C SER A 20 10.527 5.345 -5.952 1.00 0.71 C ATOM 319 O SER A 20 10.031 6.330 -6.495 1.00 0.80 O ATOM 320 CB SER A 20 12.839 5.481 -6.535 1.00 0.89 C ATOM 321 OG SER A 20 14.137 5.754 -6.029 1.00 1.45 O ATOM 0 H SER A 20 12.827 3.523 -4.847 1.00 0.70 H new ATOM 0 HA SER A 20 11.955 6.080 -4.591 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.854 4.584 -7.154 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.498 6.300 -7.168 1.00 0.89 H new ATOM 0 HG SER A 20 14.760 5.875 -6.775 1.00 1.45 H new ATOM 327 N ASP A 21 9.720 4.285 -5.766 1.00 0.70 N ATOM 328 CA ASP A 21 8.371 4.163 -6.222 1.00 0.73 C ATOM 329 C ASP A 21 7.448 4.881 -5.297 1.00 0.64 C ATOM 330 O ASP A 21 7.613 4.876 -4.079 1.00 0.66 O ATOM 331 CB ASP A 21 7.883 2.708 -6.324 1.00 0.87 C ATOM 332 CG ASP A 21 8.637 2.079 -7.488 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.481 2.577 -8.635 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.378 1.079 -7.291 1.00 1.50 O ATOM 0 H ASP A 21 10.034 3.456 -5.261 1.00 0.70 H new ATOM 0 HA ASP A 21 8.362 4.597 -7.222 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.079 2.168 -5.398 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.807 2.671 -6.494 1.00 0.87 H new ATOM 339 N THR A 22 6.423 5.515 -5.894 1.00 0.63 N ATOM 340 CA THR A 22 5.503 6.303 -5.132 1.00 0.58 C ATOM 341 C THR A 22 4.441 5.463 -4.511 1.00 0.53 C ATOM 342 O THR A 22 4.370 4.244 -4.662 1.00 0.58 O ATOM 343 CB THR A 22 4.809 7.405 -5.877 1.00 0.63 C ATOM 344 OG1 THR A 22 4.128 7.071 -7.077 1.00 0.70 O ATOM 345 CG2 THR A 22 5.879 8.428 -6.294 1.00 0.75 C ATOM 0 H THR A 22 6.231 5.483 -6.895 1.00 0.63 H new ATOM 0 HA THR A 22 6.151 6.765 -4.387 1.00 0.58 H new ATOM 0 HB THR A 22 4.045 7.748 -5.179 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.721 7.877 -7.457 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.408 9.245 -6.840 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.372 8.822 -5.405 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.617 7.943 -6.933 1.00 0.75 H new ATOM 353 N ILE A 23 3.486 6.034 -3.756 1.00 0.51 N ATOM 354 CA ILE A 23 2.395 5.346 -3.138 1.00 0.48 C ATOM 355 C ILE A 23 1.303 5.162 -4.136 1.00 0.48 C ATOM 356 O ILE A 23 0.642 4.125 -4.119 1.00 0.51 O ATOM 357 CB ILE A 23 1.784 6.122 -2.009 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.927 6.532 -1.066 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.515 5.507 -1.397 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.484 5.306 -0.344 1.00 0.73 C ATOM 0 H ILE A 23 3.475 7.036 -3.566 1.00 0.51 H new ATOM 0 HA ILE A 23 2.800 4.406 -2.763 1.00 0.48 H new ATOM 0 HB ILE A 23 1.325 7.041 -2.374 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.719 7.019 -1.634 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.564 7.258 -0.338 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.154 6.145 -0.590 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.255 5.422 -2.164 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.744 4.517 -1.002 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.293 5.611 0.320 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.692 4.837 0.240 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.865 4.594 -1.076 1.00 0.73 H new ATOM 372 N GLU A 24 1.098 6.054 -5.121 1.00 0.50 N ATOM 373 CA GLU A 24 0.219 5.861 -6.233 1.00 0.53 C ATOM 374 C GLU A 24 0.582 4.743 -7.148 1.00 0.50 C ATOM 375 O GLU A 24 -0.276 4.045 -7.686 1.00 0.55 O ATOM 376 CB GLU A 24 0.320 7.162 -7.048 1.00 0.64 C ATOM 377 CG GLU A 24 -0.767 7.332 -8.110 1.00 0.95 C ATOM 378 CD GLU A 24 -0.860 8.829 -8.372 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.226 9.425 -8.598 1.00 1.56 O ATOM 380 OE2 GLU A 24 -2.022 9.317 -8.371 1.00 1.62 O ATOM 0 H GLU A 24 1.570 6.958 -5.143 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.768 5.615 -5.841 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.277 8.009 -6.363 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.294 7.196 -7.535 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.512 6.791 -9.021 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.721 6.936 -7.761 1.00 0.95 H new ATOM 387 N ASN A 25 1.898 4.470 -7.204 1.00 0.51 N ATOM 388 CA ASN A 25 2.498 3.356 -7.871 1.00 0.52 C ATOM 389 C ASN A 25 2.161 2.044 -7.252 1.00 0.47 C ATOM 390 O ASN A 25 1.774 1.091 -7.927 1.00 0.53 O ATOM 391 CB ASN A 25 4.033 3.402 -7.960 1.00 0.64 C ATOM 392 CG ASN A 25 4.619 2.550 -9.076 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.782 1.338 -8.946 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.001 3.162 -10.229 1.00 1.57 N ATOM 0 H ASN A 25 2.589 5.069 -6.752 1.00 0.51 H new ATOM 0 HA ASN A 25 2.071 3.444 -8.870 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.346 4.436 -8.105 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.451 3.072 -7.009 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.421 2.616 -10.981 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.868 4.167 -10.341 1.00 1.57 H new ATOM 401 N VAL A 26 2.238 1.912 -5.916 1.00 0.45 N ATOM 402 CA VAL A 26 1.882 0.755 -5.154 1.00 0.44 C ATOM 403 C VAL A 26 0.429 0.476 -5.321 1.00 0.40 C ATOM 404 O VAL A 26 0.042 -0.657 -5.605 1.00 0.44 O ATOM 405 CB VAL A 26 2.336 0.806 -3.725 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.035 -0.479 -2.936 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.855 1.040 -3.776 1.00 0.62 C ATOM 0 H VAL A 26 2.575 2.672 -5.325 1.00 0.45 H new ATOM 0 HA VAL A 26 2.433 -0.096 -5.554 1.00 0.44 H new ATOM 0 HB VAL A 26 1.796 1.597 -3.204 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.391 -0.369 -1.912 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.960 -0.658 -2.929 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.540 -1.322 -3.407 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.250 1.087 -2.761 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.332 0.220 -4.313 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.061 1.979 -4.290 1.00 0.62 H new ATOM 417 N LYS A 27 -0.402 1.534 -5.294 1.00 0.40 N ATOM 418 CA LYS A 27 -1.757 1.293 -5.681 1.00 0.41 C ATOM 419 C LYS A 27 -2.043 1.031 -7.120 1.00 0.38 C ATOM 420 O LYS A 27 -3.109 0.495 -7.421 1.00 0.42 O ATOM 421 CB LYS A 27 -2.592 2.514 -5.261 1.00 0.51 C ATOM 422 CG LYS A 27 -2.518 3.063 -3.836 1.00 0.76 C ATOM 423 CD LYS A 27 -3.442 4.218 -3.444 1.00 0.82 C ATOM 424 CE LYS A 27 -3.107 5.507 -4.198 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.179 6.495 -3.940 1.00 1.11 N ATOM 0 H LYS A 27 -0.162 2.488 -5.026 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.010 0.358 -5.180 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.325 3.330 -5.932 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.636 2.270 -5.456 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.714 2.237 -3.153 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.492 3.386 -3.659 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.476 3.939 -3.647 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.364 4.396 -2.371 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.144 5.898 -3.870 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -3.023 5.310 -5.267 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.861 7.439 -4.240 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -5.031 6.230 -4.475 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.399 6.511 -2.924 1.00 1.11 H new ATOM 439 N ALA A 28 -1.026 1.210 -7.981 1.00 0.39 N ATOM 440 CA ALA A 28 -1.105 0.781 -9.342 1.00 0.39 C ATOM 441 C ALA A 28 -0.756 -0.657 -9.516 1.00 0.36 C ATOM 442 O ALA A 28 -1.444 -1.425 -10.186 1.00 0.42 O ATOM 443 CB ALA A 28 -0.274 1.695 -10.259 1.00 0.51 C ATOM 0 H ALA A 28 -0.143 1.655 -7.732 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.149 0.870 -9.643 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.352 1.346 -11.289 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.650 2.716 -10.193 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.770 1.672 -9.946 1.00 0.51 H new ATOM 449 N LYS A 29 0.273 -1.095 -8.768 1.00 0.39 N ATOM 450 CA LYS A 29 0.733 -2.445 -8.668 1.00 0.43 C ATOM 451 C LYS A 29 -0.345 -3.346 -8.169 1.00 0.44 C ATOM 452 O LYS A 29 -0.474 -4.465 -8.661 1.00 0.54 O ATOM 453 CB LYS A 29 1.937 -2.496 -7.713 1.00 0.54 C ATOM 454 CG LYS A 29 3.236 -1.778 -8.085 1.00 0.65 C ATOM 455 CD LYS A 29 4.362 -2.257 -7.166 1.00 1.08 C ATOM 456 CE LYS A 29 5.631 -1.412 -7.287 1.00 1.24 C ATOM 457 NZ LYS A 29 6.339 -1.307 -8.583 1.00 1.44 N ATOM 0 H LYS A 29 0.822 -0.458 -8.192 1.00 0.39 H new ATOM 0 HA LYS A 29 1.026 -2.789 -9.660 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.608 -2.096 -6.754 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.181 -3.546 -7.553 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.491 -1.979 -9.126 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.108 -0.700 -7.991 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.015 -2.235 -6.133 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.599 -3.295 -7.401 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.375 -0.399 -6.977 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.345 -1.797 -6.560 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.364 -1.250 -8.415 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.129 -2.145 -9.162 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.022 -0.452 -9.083 1.00 1.44 H new ATOM 471 N ILE A 30 -1.135 -2.896 -7.178 1.00 0.41 N ATOM 472 CA ILE A 30 -2.311 -3.594 -6.759 1.00 0.44 C ATOM 473 C ILE A 30 -3.481 -3.493 -7.677 1.00 0.45 C ATOM 474 O ILE A 30 -4.315 -4.393 -7.760 1.00 0.56 O ATOM 475 CB ILE A 30 -2.609 -3.153 -5.358 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.476 -3.623 -4.431 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.023 -3.520 -4.876 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.766 -3.047 -3.047 1.00 1.32 C ATOM 0 H ILE A 30 -0.955 -2.036 -6.660 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.108 -4.664 -6.792 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.631 -2.063 -5.334 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.433 -4.712 -4.395 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.509 -3.278 -4.798 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.162 -3.167 -3.854 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.762 -3.051 -5.525 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.148 -4.602 -4.906 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.984 -3.356 -2.353 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.791 -1.959 -3.104 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.730 -3.414 -2.695 1.00 1.32 H new ATOM 490 N GLN A 31 -3.587 -2.417 -8.476 1.00 0.41 N ATOM 491 CA GLN A 31 -4.550 -2.443 -9.534 1.00 0.48 C ATOM 492 C GLN A 31 -4.297 -3.511 -10.541 1.00 0.52 C ATOM 493 O GLN A 31 -5.221 -4.195 -10.979 1.00 0.66 O ATOM 494 CB GLN A 31 -4.663 -1.054 -10.187 1.00 0.52 C ATOM 495 CG GLN A 31 -5.898 -0.976 -11.086 1.00 0.70 C ATOM 496 CD GLN A 31 -6.113 0.426 -11.637 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.201 1.201 -11.916 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.407 0.712 -11.947 1.00 1.43 N ATOM 0 H GLN A 31 -3.034 -1.564 -8.398 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.510 -2.697 -9.084 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.721 -0.287 -9.414 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.767 -0.849 -10.773 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.790 -1.678 -11.913 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.778 -1.283 -10.521 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.147 0.053 -11.705 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.637 1.585 -12.421 1.00 1.43 H new ATOM 507 N ASP A 32 -3.014 -3.738 -10.878 1.00 0.50 N ATOM 508 CA ASP A 32 -2.561 -4.895 -11.587 1.00 0.60 C ATOM 509 C ASP A 32 -2.897 -6.213 -10.981 1.00 0.65 C ATOM 510 O ASP A 32 -3.387 -7.119 -11.653 1.00 0.81 O ATOM 511 CB ASP A 32 -1.043 -4.776 -11.803 1.00 0.67 C ATOM 512 CG ASP A 32 -0.375 -5.478 -12.976 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.056 -5.717 -14.009 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.831 -5.828 -12.866 1.00 1.55 O ATOM 0 H ASP A 32 -2.262 -3.089 -10.647 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.110 -4.896 -12.528 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.812 -3.714 -11.889 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.559 -5.135 -10.895 1.00 0.67 H new ATOM 519 N LYS A 33 -2.640 -6.331 -9.666 1.00 0.62 N ATOM 520 CA LYS A 33 -2.674 -7.644 -9.103 1.00 0.73 C ATOM 521 C LYS A 33 -3.996 -8.089 -8.578 1.00 0.69 C ATOM 522 O LYS A 33 -4.463 -9.179 -8.902 1.00 0.83 O ATOM 523 CB LYS A 33 -1.575 -7.606 -8.028 1.00 0.85 C ATOM 524 CG LYS A 33 -1.371 -8.943 -7.313 1.00 1.31 C ATOM 525 CD LYS A 33 -0.164 -9.066 -6.381 1.00 1.71 C ATOM 526 CE LYS A 33 1.168 -9.064 -7.134 1.00 2.26 C ATOM 527 NZ LYS A 33 1.465 -10.350 -7.803 1.00 2.62 N ATOM 0 H LYS A 33 -2.421 -5.568 -9.025 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.500 -8.398 -9.871 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.636 -7.304 -8.491 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.826 -6.844 -7.290 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -2.268 -9.154 -6.732 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.292 -9.722 -8.071 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.175 -8.241 -5.669 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.249 -9.987 -5.804 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.154 -8.269 -7.880 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.972 -8.832 -6.435 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.379 -10.283 -8.294 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.508 -11.109 -7.093 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.716 -10.564 -8.493 1.00 2.62 H new ATOM 541 N GLU A 34 -4.612 -7.253 -7.724 1.00 0.63 N ATOM 542 CA GLU A 34 -5.796 -7.640 -7.021 1.00 0.67 C ATOM 543 C GLU A 34 -6.937 -7.061 -7.786 1.00 0.69 C ATOM 544 O GLU A 34 -7.932 -7.755 -7.984 1.00 0.95 O ATOM 545 CB GLU A 34 -5.801 -7.195 -5.550 1.00 0.73 C ATOM 546 CG GLU A 34 -4.768 -7.824 -4.613 1.00 0.83 C ATOM 547 CD GLU A 34 -4.925 -9.317 -4.357 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.988 -9.655 -3.771 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.033 -10.134 -4.707 1.00 1.37 O ATOM 0 H GLU A 34 -4.290 -6.307 -7.520 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.864 -8.727 -6.967 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.661 -6.114 -5.526 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.791 -7.397 -5.142 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.775 -7.648 -5.028 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.810 -7.304 -3.656 1.00 0.83 H new ATOM 556 N GLY A 35 -6.854 -5.832 -8.324 1.00 0.63 N ATOM 557 CA GLY A 35 -7.865 -5.273 -9.166 1.00 0.68 C ATOM 558 C GLY A 35 -8.638 -4.072 -8.741 1.00 0.76 C ATOM 559 O GLY A 35 -9.700 -3.897 -9.336 1.00 1.12 O ATOM 0 H GLY A 35 -6.061 -5.209 -8.169 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.390 -5.028 -10.116 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.588 -6.064 -9.366 1.00 0.68 H new ATOM 563 N ILE A 36 -8.160 -3.294 -7.755 1.00 0.70 N ATOM 564 CA ILE A 36 -8.716 -2.282 -6.911 1.00 0.76 C ATOM 565 C ILE A 36 -8.258 -0.954 -7.406 1.00 0.71 C ATOM 566 O ILE A 36 -7.073 -0.633 -7.485 1.00 0.73 O ATOM 567 CB ILE A 36 -8.168 -2.370 -5.519 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.053 -3.805 -4.974 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.992 -1.442 -4.610 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.812 -3.893 -3.467 1.00 1.16 C ATOM 0 H ILE A 36 -7.177 -3.408 -7.508 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.798 -2.410 -6.918 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.132 -2.031 -5.539 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -8.968 -4.346 -5.215 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.237 -4.312 -5.490 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.606 -1.494 -3.592 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.919 -0.417 -4.974 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.036 -1.757 -4.619 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.744 -4.940 -3.170 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.881 -3.384 -3.217 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.639 -3.419 -2.938 1.00 1.16 H new ATOM 582 N PRO A 37 -9.162 -0.093 -7.765 1.00 0.75 N ATOM 583 CA PRO A 37 -8.909 1.226 -8.271 1.00 0.79 C ATOM 584 C PRO A 37 -8.111 2.136 -7.402 1.00 0.75 C ATOM 585 O PRO A 37 -8.466 2.022 -6.230 1.00 0.75 O ATOM 586 CB PRO A 37 -10.270 1.815 -8.636 1.00 0.95 C ATOM 587 CG PRO A 37 -10.982 0.551 -9.143 1.00 1.02 C ATOM 588 CD PRO A 37 -10.449 -0.575 -8.242 1.00 0.85 C ATOM 0 HA PRO A 37 -8.250 1.130 -9.134 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.774 2.261 -7.779 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.198 2.588 -9.401 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.065 0.645 -9.062 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.756 0.361 -10.192 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.129 -0.773 -7.413 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.341 -1.507 -8.796 1.00 0.85 H new ATOM 596 N PRO A 38 -7.151 2.939 -7.753 1.00 0.81 N ATOM 597 CA PRO A 38 -6.354 3.638 -6.788 1.00 0.85 C ATOM 598 C PRO A 38 -6.963 4.704 -5.944 1.00 0.89 C ATOM 599 O PRO A 38 -6.394 5.185 -4.964 1.00 0.99 O ATOM 600 CB PRO A 38 -5.157 4.186 -7.560 1.00 1.01 C ATOM 601 CG PRO A 38 -4.925 3.102 -8.624 1.00 1.25 C ATOM 602 CD PRO A 38 -6.338 2.564 -8.901 1.00 0.98 C ATOM 0 HA PRO A 38 -6.127 2.900 -6.018 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.373 5.156 -8.009 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.286 4.318 -6.918 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.469 3.514 -9.524 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.261 2.318 -8.260 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.743 2.989 -9.819 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.323 1.482 -9.030 1.00 0.98 H new ATOM 610 N ASP A 39 -8.181 5.142 -6.309 1.00 0.96 N ATOM 611 CA ASP A 39 -8.999 6.077 -5.601 1.00 1.11 C ATOM 612 C ASP A 39 -9.700 5.457 -4.441 1.00 1.00 C ATOM 613 O ASP A 39 -10.095 6.116 -3.481 1.00 1.14 O ATOM 614 CB ASP A 39 -9.885 6.836 -6.604 1.00 1.39 C ATOM 615 CG ASP A 39 -10.931 6.034 -7.363 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.597 5.140 -8.186 1.00 2.23 O ATOM 617 OD2 ASP A 39 -12.142 6.247 -7.086 1.00 2.25 O ATOM 0 H ASP A 39 -8.627 4.816 -7.166 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.378 6.832 -5.118 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.398 7.632 -6.065 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -9.233 7.315 -7.334 1.00 1.39 H new ATOM 622 N GLN A 40 -9.765 4.114 -4.392 1.00 0.87 N ATOM 623 CA GLN A 40 -10.421 3.394 -3.345 1.00 0.84 C ATOM 624 C GLN A 40 -9.466 3.052 -2.253 1.00 0.67 C ATOM 625 O GLN A 40 -9.866 2.984 -1.092 1.00 0.80 O ATOM 626 CB GLN A 40 -11.075 2.118 -3.902 1.00 0.95 C ATOM 627 CG GLN A 40 -12.307 2.302 -4.790 1.00 1.32 C ATOM 628 CD GLN A 40 -12.814 0.965 -5.313 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.543 -0.121 -4.804 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.541 1.044 -6.460 1.00 2.02 N ATOM 0 H GLN A 40 -9.349 3.511 -5.102 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.198 4.034 -2.928 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.323 1.573 -4.473 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.355 1.485 -3.060 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.096 2.797 -4.224 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.060 2.953 -5.628 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.755 1.955 -6.866 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -13.872 0.193 -6.914 1.00 2.02 H new ATOM 639 N GLN A 41 -8.201 2.705 -2.551 1.00 0.56 N ATOM 640 CA GLN A 41 -7.206 2.184 -1.666 1.00 0.51 C ATOM 641 C GLN A 41 -6.739 3.205 -0.686 1.00 0.49 C ATOM 642 O GLN A 41 -6.227 4.267 -1.035 1.00 0.65 O ATOM 643 CB GLN A 41 -6.042 1.557 -2.453 1.00 0.67 C ATOM 644 CG GLN A 41 -6.355 0.370 -3.366 1.00 0.69 C ATOM 645 CD GLN A 41 -5.127 -0.181 -4.078 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.228 -0.728 -3.443 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.128 0.064 -5.416 1.00 0.61 N ATOM 0 H GLN A 41 -7.844 2.799 -3.502 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.669 1.389 -1.081 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.591 2.339 -3.064 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.286 1.237 -1.735 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.811 -0.424 -2.775 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.091 0.676 -4.109 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.927 0.526 -5.849 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.329 -0.215 -5.986 1.00 0.61 H new ATOM 656 N ARG A 42 -6.783 2.868 0.616 1.00 0.47 N ATOM 657 CA ARG A 42 -5.947 3.571 1.537 1.00 0.55 C ATOM 658 C ARG A 42 -4.773 2.741 1.932 1.00 0.46 C ATOM 659 O ARG A 42 -4.928 1.624 2.426 1.00 0.52 O ATOM 660 CB ARG A 42 -6.900 4.029 2.653 1.00 0.73 C ATOM 661 CG ARG A 42 -8.118 4.788 2.124 1.00 1.04 C ATOM 662 CD ARG A 42 -8.854 5.838 2.959 1.00 1.28 C ATOM 663 NE ARG A 42 -9.675 6.686 2.050 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.485 7.658 2.564 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.042 7.643 3.810 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.768 8.728 1.766 1.00 2.78 N ATOM 0 H ARG A 42 -7.372 2.139 1.019 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.456 4.454 1.130 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.237 3.158 3.215 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.355 4.667 3.349 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.803 5.283 1.206 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.857 4.037 1.844 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.490 5.353 3.699 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.140 6.453 3.506 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.632 6.540 1.041 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.863 6.860 4.439 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.637 8.415 4.112 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.379 8.779 0.825 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.369 9.477 2.111 1.00 2.78 H new ATOM 680 N LEU A 43 -3.522 3.219 1.814 1.00 0.46 N ATOM 681 CA LEU A 43 -2.345 2.539 2.255 1.00 0.42 C ATOM 682 C LEU A 43 -1.907 3.222 3.504 1.00 0.43 C ATOM 683 O LEU A 43 -1.556 4.401 3.532 1.00 0.55 O ATOM 684 CB LEU A 43 -1.183 2.515 1.246 1.00 0.55 C ATOM 685 CG LEU A 43 -1.478 1.583 0.060 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.398 1.712 -1.027 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.688 0.111 0.451 1.00 1.12 C ATOM 0 H LEU A 43 -3.322 4.125 1.390 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.602 1.490 2.398 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.000 3.525 0.878 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.272 2.188 1.748 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.433 1.920 -0.342 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.632 1.041 -1.854 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.368 2.739 -1.390 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.573 1.447 -0.609 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.891 -0.478 -0.444 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.790 -0.268 0.939 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.533 0.033 1.136 1.00 1.12 H new ATOM 699 N ILE A 44 -1.904 2.443 4.601 1.00 0.42 N ATOM 700 CA ILE A 44 -1.643 2.860 5.944 1.00 0.46 C ATOM 701 C ILE A 44 -0.355 2.215 6.327 1.00 0.42 C ATOM 702 O ILE A 44 -0.125 1.069 5.950 1.00 0.53 O ATOM 703 CB ILE A 44 -2.716 2.567 6.950 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.139 2.906 6.472 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.390 3.283 8.272 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.254 4.369 6.043 1.00 1.27 C ATOM 0 H ILE A 44 -2.100 1.444 4.542 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.603 3.949 5.957 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.719 1.487 7.100 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.407 2.259 5.637 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.850 2.704 7.273 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.170 3.070 9.003 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.431 2.929 8.651 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.338 4.358 8.100 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.272 4.572 5.712 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.011 5.016 6.886 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.561 4.564 5.225 1.00 1.27 H new ATOM 718 N PHE A 45 0.474 2.967 7.073 1.00 0.42 N ATOM 719 CA PHE A 45 1.605 2.320 7.662 1.00 0.46 C ATOM 720 C PHE A 45 1.975 3.122 8.862 1.00 0.68 C ATOM 721 O PHE A 45 2.111 4.340 8.764 1.00 1.50 O ATOM 722 CB PHE A 45 2.771 2.098 6.684 1.00 0.56 C ATOM 723 CG PHE A 45 3.933 1.487 7.390 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.849 0.150 7.701 1.00 1.19 C ATOM 725 CD2 PHE A 45 5.067 2.199 7.702 1.00 1.08 C ATOM 726 CE1 PHE A 45 4.890 -0.444 8.374 1.00 1.33 C ATOM 727 CE2 PHE A 45 6.065 1.593 8.431 1.00 1.20 C ATOM 728 CZ PHE A 45 5.986 0.270 8.797 1.00 1.02 C ATOM 0 H PHE A 45 0.374 3.964 7.262 1.00 0.42 H new ATOM 0 HA PHE A 45 1.346 1.302 7.954 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.451 1.450 5.868 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.066 3.048 6.239 1.00 0.56 H new ATOM 0 HD1 PHE A 45 2.978 -0.424 7.421 1.00 1.19 H new ATOM 0 HD2 PHE A 45 5.174 3.224 7.378 1.00 1.08 H new ATOM 0 HE1 PHE A 45 4.846 -1.504 8.577 1.00 1.33 H new ATOM 0 HE2 PHE A 45 6.930 2.170 8.722 1.00 1.20 H new ATOM 0 HZ PHE A 45 6.757 -0.192 9.395 1.00 1.02 H new ATOM 738 N ALA A 46 2.005 2.398 9.996 1.00 0.81 N ATOM 739 CA ALA A 46 2.330 2.898 11.295 1.00 0.96 C ATOM 740 C ALA A 46 1.265 3.821 11.777 1.00 0.97 C ATOM 741 O ALA A 46 1.546 4.853 12.385 1.00 1.21 O ATOM 742 CB ALA A 46 3.728 3.537 11.252 1.00 1.20 C ATOM 0 H ALA A 46 1.788 1.401 10.004 1.00 0.81 H new ATOM 0 HA ALA A 46 2.369 2.086 12.021 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.983 3.921 12.240 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.461 2.788 10.953 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.732 4.356 10.532 1.00 1.20 H new ATOM 748 N GLY A 47 0.004 3.474 11.464 1.00 0.99 N ATOM 749 CA GLY A 47 -1.048 4.377 11.814 1.00 1.10 C ATOM 750 C GLY A 47 -1.267 5.521 10.885 1.00 1.03 C ATOM 751 O GLY A 47 -2.351 6.101 10.865 1.00 1.30 O ATOM 0 H GLY A 47 -0.279 2.615 10.993 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.977 3.811 11.885 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.841 4.776 12.807 1.00 1.10 H new ATOM 755 N LYS A 48 -0.256 5.933 10.098 1.00 0.98 N ATOM 756 CA LYS A 48 -0.348 7.033 9.189 1.00 1.05 C ATOM 757 C LYS A 48 -0.866 6.685 7.836 1.00 0.84 C ATOM 758 O LYS A 48 -0.439 5.693 7.247 1.00 0.81 O ATOM 759 CB LYS A 48 1.012 7.747 9.125 1.00 1.42 C ATOM 760 CG LYS A 48 1.666 8.135 10.453 1.00 1.61 C ATOM 761 CD LYS A 48 2.389 9.484 10.474 1.00 1.87 C ATOM 762 CE LYS A 48 3.839 9.511 9.987 1.00 2.22 C ATOM 763 NZ LYS A 48 3.880 9.286 8.525 1.00 2.55 N ATOM 0 H LYS A 48 0.659 5.483 10.095 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.105 7.711 9.584 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.705 7.104 8.583 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.889 8.654 8.532 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.897 8.145 11.225 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.380 7.358 10.725 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.816 10.183 9.865 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.370 9.861 11.496 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.296 10.470 10.230 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.419 8.743 10.499 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.860 9.372 8.188 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.523 8.333 8.310 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.286 9.994 8.048 1.00 2.55 H new ATOM 777 N GLN A 49 -1.686 7.518 7.172 1.00 0.84 N ATOM 778 CA GLN A 49 -2.079 7.301 5.814 1.00 0.80 C ATOM 779 C GLN A 49 -1.060 7.909 4.915 1.00 0.72 C ATOM 780 O GLN A 49 -0.519 8.986 5.161 1.00 0.83 O ATOM 781 CB GLN A 49 -3.465 7.918 5.558 1.00 1.03 C ATOM 782 CG GLN A 49 -4.070 7.605 4.188 1.00 1.67 C ATOM 783 CD GLN A 49 -5.542 7.979 4.071 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.386 7.361 4.718 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.776 9.140 3.402 1.00 2.48 N ATOM 0 H GLN A 49 -2.085 8.360 7.587 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.144 6.231 5.615 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.150 7.567 6.330 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.390 9.000 5.666 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.507 8.137 3.421 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.957 6.540 3.985 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.021 9.593 2.887 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.706 9.558 3.415 1.00 2.48 H new ATOM 794 N LEU A 50 -0.667 7.162 3.867 1.00 0.69 N ATOM 795 CA LEU A 50 0.375 7.576 2.979 1.00 0.66 C ATOM 796 C LEU A 50 -0.145 8.307 1.790 1.00 0.72 C ATOM 797 O LEU A 50 -1.117 7.855 1.185 1.00 0.90 O ATOM 798 CB LEU A 50 1.206 6.379 2.489 1.00 0.65 C ATOM 799 CG LEU A 50 1.711 5.486 3.635 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.423 4.286 2.989 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.657 6.167 4.639 1.00 0.74 C ATOM 0 H LEU A 50 -1.078 6.258 3.633 1.00 0.69 H new ATOM 0 HA LEU A 50 1.003 8.251 3.560 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.602 5.779 1.808 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.060 6.746 1.919 1.00 0.65 H new ATOM 0 HG LEU A 50 0.842 5.204 4.229 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.799 3.623 3.768 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.720 3.742 2.358 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.256 4.641 2.382 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.953 5.450 5.405 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.544 6.527 4.117 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.146 7.008 5.108 1.00 0.74 H new ATOM 813 N GLU A 51 0.402 9.498 1.492 1.00 0.70 N ATOM 814 CA GLU A 51 0.027 10.393 0.440 1.00 0.76 C ATOM 815 C GLU A 51 0.603 10.149 -0.912 1.00 0.77 C ATOM 816 O GLU A 51 1.794 9.874 -1.050 1.00 1.23 O ATOM 817 CB GLU A 51 0.249 11.854 0.866 1.00 0.88 C ATOM 818 CG GLU A 51 -0.572 12.292 2.080 1.00 1.35 C ATOM 819 CD GLU A 51 -0.141 13.673 2.553 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.008 13.760 3.063 1.00 1.89 O ATOM 821 OE2 GLU A 51 -0.954 14.619 2.378 1.00 1.94 O ATOM 0 H GLU A 51 1.179 9.868 2.039 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.032 10.178 0.300 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.307 11.998 1.087 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.008 12.505 0.026 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.631 12.305 1.823 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.448 11.571 2.888 1.00 1.35 H new ATOM 828 N ASP A 52 -0.210 10.149 -1.983 1.00 0.66 N ATOM 829 CA ASP A 52 0.012 9.677 -3.316 1.00 0.65 C ATOM 830 C ASP A 52 1.313 9.897 -4.006 1.00 0.60 C ATOM 831 O ASP A 52 2.018 8.934 -4.301 1.00 0.62 O ATOM 832 CB ASP A 52 -1.086 10.307 -4.189 1.00 0.81 C ATOM 833 CG ASP A 52 -2.471 10.015 -3.626 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.874 10.745 -2.682 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.214 9.165 -4.187 1.00 1.56 O ATOM 0 H ASP A 52 -1.151 10.534 -1.897 1.00 0.66 H new ATOM 0 HA ASP A 52 0.006 8.594 -3.194 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.934 11.385 -4.248 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.014 9.919 -5.205 1.00 0.81 H new ATOM 840 N GLY A 53 1.626 11.166 -4.329 1.00 0.68 N ATOM 841 CA GLY A 53 2.915 11.526 -4.829 1.00 0.73 C ATOM 842 C GLY A 53 4.007 11.763 -3.843 1.00 0.72 C ATOM 843 O GLY A 53 4.587 12.847 -3.841 1.00 0.97 O ATOM 0 H GLY A 53 0.978 11.949 -4.242 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.242 10.737 -5.507 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.801 12.431 -5.425 1.00 0.73 H new ATOM 847 N ARG A 54 4.317 10.756 -3.007 1.00 0.64 N ATOM 848 CA ARG A 54 5.465 10.702 -2.154 1.00 0.63 C ATOM 849 C ARG A 54 6.063 9.372 -2.457 1.00 0.59 C ATOM 850 O ARG A 54 5.364 8.458 -2.892 1.00 0.62 O ATOM 851 CB ARG A 54 5.050 10.701 -0.673 1.00 0.69 C ATOM 852 CG ARG A 54 4.507 12.045 -0.182 1.00 0.82 C ATOM 853 CD ARG A 54 5.760 12.833 0.204 1.00 1.18 C ATOM 854 NE ARG A 54 5.392 14.224 0.590 1.00 1.50 N ATOM 855 CZ ARG A 54 6.133 15.306 0.213 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.483 15.307 0.011 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.547 16.538 0.204 1.00 2.49 N ATOM 0 H ARG A 54 3.729 9.927 -2.921 1.00 0.64 H new ATOM 0 HA ARG A 54 6.130 11.551 -2.316 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.290 9.935 -0.519 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.911 10.423 -0.064 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.939 12.554 -0.961 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.838 11.918 0.669 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.268 12.340 1.033 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.459 12.852 -0.632 1.00 1.18 H new ATOM 0 HE ARG A 54 4.557 14.373 1.156 1.00 1.50 H new ATOM 0 HH11 ARG A 54 8.019 14.449 0.142 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.956 16.166 -0.271 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.569 16.640 0.476 1.00 2.49 H new ATOM 0 HH22 ARG A 54 6.087 17.357 -0.075 1.00 2.49 H new ATOM 871 N THR A 55 7.364 9.155 -2.192 1.00 0.63 N ATOM 872 CA THR A 55 7.934 7.859 -2.396 1.00 0.61 C ATOM 873 C THR A 55 8.045 7.053 -1.148 1.00 0.59 C ATOM 874 O THR A 55 7.889 7.581 -0.048 1.00 0.64 O ATOM 875 CB THR A 55 9.335 7.900 -2.932 1.00 0.68 C ATOM 876 OG1 THR A 55 10.283 8.484 -2.053 1.00 0.75 O ATOM 877 CG2 THR A 55 9.333 8.674 -4.261 1.00 0.76 C ATOM 0 H THR A 55 8.011 9.862 -1.843 1.00 0.63 H new ATOM 0 HA THR A 55 7.239 7.412 -3.106 1.00 0.61 H new ATOM 0 HB THR A 55 9.646 6.864 -3.064 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.851 9.191 -1.529 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.346 8.711 -4.662 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.679 8.172 -4.974 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.973 9.688 -4.091 1.00 0.76 H new ATOM 885 N LEU A 56 8.323 5.740 -1.230 1.00 0.58 N ATOM 886 CA LEU A 56 8.509 4.930 -0.066 1.00 0.59 C ATOM 887 C LEU A 56 9.705 5.264 0.758 1.00 0.64 C ATOM 888 O LEU A 56 9.669 5.158 1.983 1.00 0.70 O ATOM 889 CB LEU A 56 8.535 3.473 -0.556 1.00 0.60 C ATOM 890 CG LEU A 56 7.174 3.009 -1.102 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.391 1.635 -1.757 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.210 2.718 0.060 1.00 1.03 C ATOM 0 H LEU A 56 8.420 5.235 -2.111 1.00 0.58 H new ATOM 0 HA LEU A 56 7.687 5.117 0.625 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.290 3.369 -1.335 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.834 2.822 0.266 1.00 0.60 H new ATOM 0 HG LEU A 56 6.783 3.774 -1.773 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.446 1.270 -2.158 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.117 1.728 -2.565 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.765 0.932 -1.013 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.249 2.390 -0.338 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.628 1.934 0.692 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.068 3.623 0.651 1.00 1.03 H new ATOM 904 N SER A 57 10.701 5.873 0.089 1.00 0.68 N ATOM 905 CA SER A 57 11.924 6.364 0.643 1.00 0.75 C ATOM 906 C SER A 57 11.645 7.548 1.502 1.00 0.76 C ATOM 907 O SER A 57 12.178 7.635 2.608 1.00 0.84 O ATOM 908 CB SER A 57 12.987 6.727 -0.407 1.00 0.84 C ATOM 909 OG SER A 57 14.287 6.944 0.123 1.00 1.19 O ATOM 0 H SER A 57 10.645 6.033 -0.917 1.00 0.68 H new ATOM 0 HA SER A 57 12.342 5.546 1.230 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.038 5.927 -1.146 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.668 7.627 -0.933 1.00 0.84 H new ATOM 0 HG SER A 57 14.904 7.168 -0.605 1.00 1.19 H new ATOM 915 N ASP A 58 10.729 8.448 1.103 1.00 0.75 N ATOM 916 CA ASP A 58 10.267 9.522 1.926 1.00 0.78 C ATOM 917 C ASP A 58 9.716 9.122 3.250 1.00 0.77 C ATOM 918 O ASP A 58 10.067 9.793 4.220 1.00 0.86 O ATOM 919 CB ASP A 58 9.217 10.380 1.198 1.00 0.83 C ATOM 920 CG ASP A 58 9.871 11.147 0.058 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.624 12.101 0.389 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.533 10.795 -1.105 1.00 1.90 O ATOM 0 H ASP A 58 10.296 8.428 0.179 1.00 0.75 H new ATOM 0 HA ASP A 58 11.172 10.096 2.124 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.421 9.744 0.810 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.756 11.076 1.898 1.00 0.83 H new ATOM 927 N TYR A 59 8.948 8.021 3.342 1.00 0.72 N ATOM 928 CA TYR A 59 8.320 7.530 4.529 1.00 0.73 C ATOM 929 C TYR A 59 9.183 6.601 5.311 1.00 0.76 C ATOM 930 O TYR A 59 8.742 6.083 6.335 1.00 0.89 O ATOM 931 CB TYR A 59 6.988 6.898 4.090 1.00 0.73 C ATOM 932 CG TYR A 59 5.985 7.895 3.622 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.487 8.884 4.438 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.385 7.809 2.387 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.510 9.773 4.058 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.396 8.665 1.966 1.00 0.70 C ATOM 937 CZ TYR A 59 4.012 9.707 2.778 1.00 0.74 C ATOM 938 OH TYR A 59 2.844 10.467 2.560 1.00 0.86 O ATOM 0 H TYR A 59 8.753 7.435 2.530 1.00 0.72 H new ATOM 0 HA TYR A 59 8.140 8.347 5.227 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.180 6.184 3.289 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.569 6.336 4.925 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.888 8.967 5.437 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.708 7.029 1.714 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.139 10.511 4.754 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.924 8.521 1.005 1.00 0.70 H new ATOM 0 HH TYR A 59 3.029 11.412 2.744 1.00 0.86 H new ATOM 948 N ASN A 60 10.393 6.314 4.797 1.00 0.74 N ATOM 949 CA ASN A 60 11.325 5.392 5.368 1.00 0.79 C ATOM 950 C ASN A 60 10.729 4.030 5.470 1.00 0.75 C ATOM 951 O ASN A 60 10.842 3.320 6.467 1.00 0.86 O ATOM 952 CB ASN A 60 11.845 5.831 6.748 1.00 0.95 C ATOM 953 CG ASN A 60 12.829 6.984 6.622 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.447 7.311 5.609 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.990 7.696 7.769 1.00 1.83 N ATOM 0 H ASN A 60 10.738 6.747 3.940 1.00 0.74 H new ATOM 0 HA ASN A 60 12.179 5.373 4.691 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.007 6.131 7.377 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.329 4.989 7.242 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.621 8.497 7.788 1.00 1.83 H new ATOM 0 HD22 ASN A 60 12.480 7.429 8.611 1.00 1.83 H new ATOM 962 N ILE A 61 10.157 3.521 4.364 1.00 0.67 N ATOM 963 CA ILE A 61 9.590 2.209 4.347 1.00 0.65 C ATOM 964 C ILE A 61 10.717 1.287 4.035 1.00 0.66 C ATOM 965 O ILE A 61 11.481 1.386 3.075 1.00 0.75 O ATOM 966 CB ILE A 61 8.526 2.145 3.292 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.371 3.086 3.669 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.146 0.666 3.106 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.737 2.754 5.021 1.00 0.82 C ATOM 0 H ILE A 61 10.087 4.021 3.478 1.00 0.67 H new ATOM 0 HA ILE A 61 9.123 1.940 5.294 1.00 0.65 H new ATOM 0 HB ILE A 61 8.865 2.505 2.321 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.739 4.112 3.690 1.00 0.70 H new ATOM 0 HG13 ILE A 61 6.605 3.038 2.895 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.372 0.582 2.343 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.025 0.101 2.795 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.772 0.265 4.048 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.929 3.456 5.226 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.339 1.740 4.997 1.00 0.82 H new ATOM 0 HD13 ILE A 61 7.491 2.830 5.805 1.00 0.82 H new ATOM 981 N GLN A 62 10.894 0.268 4.896 1.00 0.67 N ATOM 982 CA GLN A 62 11.984 -0.648 4.767 1.00 0.70 C ATOM 983 C GLN A 62 11.653 -1.854 3.958 1.00 0.62 C ATOM 984 O GLN A 62 10.496 -2.038 3.581 1.00 0.64 O ATOM 985 CB GLN A 62 12.520 -1.093 6.138 1.00 0.85 C ATOM 986 CG GLN A 62 12.835 0.079 7.070 1.00 1.27 C ATOM 987 CD GLN A 62 13.809 -0.374 8.149 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.898 0.180 8.293 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.473 -1.478 8.867 1.00 2.16 N ATOM 0 H GLN A 62 10.277 0.078 5.686 1.00 0.67 H new ATOM 0 HA GLN A 62 12.756 -0.092 4.235 1.00 0.70 H new ATOM 0 HB2 GLN A 62 11.785 -1.741 6.615 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.423 -1.687 5.993 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.264 0.904 6.501 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.918 0.450 7.527 1.00 1.27 H new ATOM 0 HE21 GLN A 62 12.564 -1.919 8.729 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.130 -1.866 9.544 1.00 2.16 H new ATOM 998 N LYS A 63 12.628 -2.732 3.666 1.00 0.64 N ATOM 999 CA LYS A 63 12.342 -3.974 3.018 1.00 0.62 C ATOM 1000 C LYS A 63 11.610 -4.944 3.881 1.00 0.59 C ATOM 1001 O LYS A 63 11.793 -5.037 5.094 1.00 0.66 O ATOM 1002 CB LYS A 63 13.710 -4.542 2.607 1.00 0.74 C ATOM 1003 CG LYS A 63 14.535 -5.188 3.721 1.00 0.89 C ATOM 1004 CD LYS A 63 15.856 -5.800 3.248 1.00 1.11 C ATOM 1005 CE LYS A 63 16.872 -6.105 4.349 1.00 1.47 C ATOM 1006 NZ LYS A 63 18.186 -6.414 3.741 1.00 2.12 N ATOM 0 H LYS A 63 13.614 -2.582 3.878 1.00 0.64 H new ATOM 0 HA LYS A 63 11.678 -3.806 2.170 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.552 -5.283 1.824 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.298 -3.736 2.169 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.747 -4.438 4.483 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.937 -5.965 4.197 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.637 -6.724 2.714 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.316 -5.119 2.532 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.963 -5.251 5.021 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.531 -6.948 4.949 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.876 -6.621 4.491 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 18.094 -7.241 3.117 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.513 -5.597 3.187 1.00 2.12 H new ATOM 1020 N GLU A 64 10.735 -5.774 3.285 1.00 0.57 N ATOM 1021 CA GLU A 64 10.014 -6.765 4.024 1.00 0.58 C ATOM 1022 C GLU A 64 9.110 -6.221 5.076 1.00 0.56 C ATOM 1023 O GLU A 64 9.068 -6.746 6.187 1.00 0.70 O ATOM 1024 CB GLU A 64 10.982 -7.905 4.389 1.00 0.72 C ATOM 1025 CG GLU A 64 11.511 -8.653 3.165 1.00 0.96 C ATOM 1026 CD GLU A 64 12.555 -9.736 3.401 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.100 -10.857 3.755 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.779 -9.607 3.133 1.00 1.69 O ATOM 0 H GLU A 64 10.526 -5.759 2.287 1.00 0.57 H new ATOM 0 HA GLU A 64 9.247 -7.227 3.402 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.823 -7.495 4.949 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.473 -8.610 5.047 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.662 -9.109 2.657 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.936 -7.919 2.480 1.00 0.96 H new ATOM 1035 N SER A 65 8.510 -5.059 4.764 1.00 0.51 N ATOM 1036 CA SER A 65 7.630 -4.345 5.638 1.00 0.51 C ATOM 1037 C SER A 65 6.212 -4.554 5.235 1.00 0.43 C ATOM 1038 O SER A 65 5.938 -4.738 4.049 1.00 0.50 O ATOM 1039 CB SER A 65 8.004 -2.856 5.730 1.00 0.65 C ATOM 1040 OG SER A 65 7.396 -2.171 6.815 1.00 1.04 O ATOM 0 H SER A 65 8.643 -4.597 3.865 1.00 0.51 H new ATOM 0 HA SER A 65 7.746 -4.748 6.644 1.00 0.51 H new ATOM 0 HB2 SER A 65 9.087 -2.769 5.821 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.722 -2.363 4.800 1.00 0.65 H new ATOM 0 HG SER A 65 7.680 -1.233 6.810 1.00 1.04 H new ATOM 1046 N THR A 66 5.255 -4.531 6.180 1.00 0.45 N ATOM 1047 CA THR A 66 3.852 -4.753 6.019 1.00 0.45 C ATOM 1048 C THR A 66 3.072 -3.489 5.896 1.00 0.43 C ATOM 1049 O THR A 66 2.891 -2.864 6.940 1.00 0.58 O ATOM 1050 CB THR A 66 3.200 -5.622 7.054 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.953 -6.816 7.201 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.763 -6.017 6.673 1.00 0.78 C ATOM 0 H THR A 66 5.491 -4.337 7.153 1.00 0.45 H new ATOM 0 HA THR A 66 3.821 -5.306 5.080 1.00 0.45 H new ATOM 0 HB THR A 66 3.166 -5.046 7.979 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.532 -7.387 7.877 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.339 -6.645 7.456 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.156 -5.118 6.560 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.774 -6.568 5.732 1.00 0.78 H new ATOM 1060 N LEU A 67 2.504 -3.169 4.720 1.00 0.38 N ATOM 1061 CA LEU A 67 1.591 -2.068 4.691 1.00 0.38 C ATOM 1062 C LEU A 67 0.205 -2.549 4.955 1.00 0.37 C ATOM 1063 O LEU A 67 -0.089 -3.707 4.657 1.00 0.50 O ATOM 1064 CB LEU A 67 1.694 -1.322 3.350 1.00 0.46 C ATOM 1065 CG LEU A 67 3.140 -0.968 2.960 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.044 -0.346 1.557 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.745 0.063 3.927 1.00 1.31 C ATOM 0 H LEU A 67 2.664 -3.643 3.831 1.00 0.38 H new ATOM 0 HA LEU A 67 1.853 -1.360 5.477 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.254 -1.937 2.565 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.105 -0.406 3.405 1.00 0.46 H new ATOM 0 HG LEU A 67 3.777 -1.852 2.991 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.040 -0.068 1.213 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.611 -1.070 0.867 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.413 0.542 1.595 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.767 0.291 3.623 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.148 0.975 3.907 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.750 -0.345 4.938 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.659 -1.676 5.502 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.026 -2.018 5.746 1.00 0.37 C ATOM 1081 C HIS A 68 -2.955 -1.408 4.753 1.00 0.35 C ATOM 1082 O HIS A 68 -3.039 -0.195 4.568 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.636 -1.663 7.112 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.171 -2.639 8.151 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.984 -2.480 8.838 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.678 -3.822 8.589 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.798 -3.550 9.656 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.755 -4.427 9.416 1.00 1.51 N ATOM 0 H HIS A 68 -0.409 -0.726 5.777 1.00 0.35 H new ATOM 0 HA HIS A 68 -1.947 -3.103 5.682 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.347 -0.651 7.397 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.724 -1.678 7.048 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.647 -4.223 8.331 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.003 -3.663 10.379 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.803 -5.380 9.777 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.789 -2.176 4.031 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.737 -1.722 3.061 1.00 0.38 C ATOM 1098 C LEU A 69 -6.056 -1.564 3.735 1.00 0.41 C ATOM 1099 O LEU A 69 -6.588 -2.538 4.266 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.926 -2.766 1.947 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.777 -2.327 0.743 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.375 -1.014 0.050 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.946 -3.458 -0.285 1.00 1.14 C ATOM 0 H LEU A 69 -3.801 -3.191 4.134 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.374 -0.787 2.634 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.942 -3.060 1.582 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.382 -3.654 2.384 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.739 -2.099 1.202 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.053 -0.819 -0.781 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.431 -0.193 0.765 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.355 -1.098 -0.326 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.553 -3.105 -1.118 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.967 -3.764 -0.654 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.438 -4.308 0.187 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.693 -0.390 3.573 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.022 -0.076 3.997 1.00 0.56 C ATOM 1117 C VAL A 70 -8.685 0.291 2.713 1.00 0.55 C ATOM 1118 O VAL A 70 -8.028 0.674 1.746 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.069 1.038 5.000 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.545 1.312 5.329 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.089 0.744 6.148 1.00 0.97 C ATOM 0 H VAL A 70 -6.243 0.399 3.110 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.507 -0.900 4.520 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.700 1.995 4.631 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.611 2.120 6.058 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.073 1.599 4.420 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.999 0.411 5.743 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.126 1.556 6.875 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.368 -0.191 6.634 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.078 0.659 5.750 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.018 0.139 2.618 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.770 0.368 1.425 1.00 0.84 C ATOM 1133 C LEU A 71 -11.929 1.245 1.755 1.00 0.85 C ATOM 1134 O LEU A 71 -12.299 1.434 2.913 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.164 -0.983 0.804 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.019 -1.866 0.282 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.489 -3.219 -0.279 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.262 -1.161 -0.857 1.00 2.78 C ATOM 0 H LEU A 71 -10.595 -0.156 3.406 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.182 0.889 0.669 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.718 -1.552 1.551 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.848 -0.790 -0.022 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.385 -2.040 1.151 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.627 -3.787 -0.628 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.000 -3.780 0.504 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.173 -3.050 -1.110 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.456 -1.804 -1.211 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.949 -0.955 -1.678 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.844 -0.224 -0.490 1.00 2.78 H new