USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 10 GLN : amide:sc= -0.0692 K(o=-0.069,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-0.67) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -0.008 X(o=-0.008,f=-0.18) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= -0.131 USER MOD Single : B 10 GLN : amide:sc= -0.0688 K(o=-0.069,f=-1.3) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.29) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HE2:sc= -0.0166 X(o=-0.017,f=-0.18) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 131.777 -18.765 -19.298 1.00 0.77 N ATOM 2 CA GLY A 1 130.513 -18.552 -18.540 1.00 0.81 C ATOM 3 C GLY A 1 130.450 -17.187 -17.883 1.00 0.65 C ATOM 4 O GLY A 1 130.064 -16.204 -18.519 1.00 0.70 O ATOM 0 H1 GLY A 1 131.769 -19.712 -19.727 1.00 0.77 H new ATOM 0 H2 GLY A 1 131.859 -18.047 -20.046 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.587 -18.685 -18.651 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.665 -18.665 -19.216 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.417 -19.324 -17.776 1.00 0.81 H new ATOM 10 N SER A 2 130.831 -17.127 -16.606 1.00 0.55 N ATOM 11 CA SER A 2 130.818 -15.873 -15.854 1.00 0.48 C ATOM 12 C SER A 2 132.238 -15.372 -15.565 1.00 0.47 C ATOM 13 O SER A 2 132.439 -14.536 -14.683 1.00 0.71 O ATOM 14 CB SER A 2 130.034 -16.057 -14.551 1.00 0.54 C ATOM 15 OG SER A 2 128.635 -15.973 -14.780 1.00 0.67 O ATOM 0 H SER A 2 131.153 -17.934 -16.071 1.00 0.55 H new ATOM 0 HA SER A 2 130.326 -15.116 -16.464 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.276 -17.024 -14.111 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.334 -15.295 -13.832 1.00 0.54 H new ATOM 0 HG SER A 2 128.157 -16.095 -13.933 1.00 0.67 H new ATOM 21 N LEU A 3 133.214 -15.859 -16.339 1.00 0.38 N ATOM 22 CA LEU A 3 134.606 -15.432 -16.194 1.00 0.43 C ATOM 23 C LEU A 3 134.910 -14.360 -17.237 1.00 0.53 C ATOM 24 O LEU A 3 135.904 -14.436 -17.963 1.00 0.88 O ATOM 25 CB LEU A 3 135.562 -16.621 -16.359 1.00 0.48 C ATOM 26 CG LEU A 3 135.158 -17.894 -15.613 1.00 0.85 C ATOM 27 CD1 LEU A 3 135.939 -19.091 -16.135 1.00 1.05 C ATOM 28 CD2 LEU A 3 135.370 -17.724 -14.116 1.00 1.42 C ATOM 0 H LEU A 3 133.063 -16.551 -17.073 1.00 0.38 H new ATOM 0 HA LEU A 3 134.751 -15.023 -15.194 1.00 0.43 H new ATOM 0 HB2 LEU A 3 135.647 -16.853 -17.421 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.553 -16.319 -16.019 1.00 0.48 H new ATOM 0 HG LEU A 3 134.098 -18.076 -15.790 1.00 0.85 H new ATOM 0 HD11 LEU A 3 135.638 -19.987 -15.592 1.00 1.05 H new ATOM 0 HD12 LEU A 3 135.734 -19.224 -17.197 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.006 -18.921 -15.990 1.00 1.05 H new ATOM 0 HD21 LEU A 3 135.078 -18.639 -13.601 1.00 1.42 H new ATOM 0 HD22 LEU A 3 136.422 -17.517 -13.919 1.00 1.42 H new ATOM 0 HD23 LEU A 3 134.763 -16.894 -13.754 1.00 1.42 H new ATOM 40 N THR A 4 134.014 -13.378 -17.322 1.00 0.41 N ATOM 41 CA THR A 4 134.131 -12.295 -18.289 1.00 0.49 C ATOM 42 C THR A 4 133.836 -10.935 -17.640 1.00 0.39 C ATOM 43 O THR A 4 133.962 -10.781 -16.424 1.00 0.39 O ATOM 44 CB THR A 4 133.187 -12.563 -19.470 1.00 0.65 C ATOM 45 OG1 THR A 4 131.856 -12.763 -19.021 1.00 0.64 O ATOM 46 CG2 THR A 4 133.586 -13.776 -20.292 1.00 0.80 C ATOM 0 H THR A 4 133.191 -13.313 -16.724 1.00 0.41 H new ATOM 0 HA THR A 4 135.157 -12.258 -18.656 1.00 0.49 H new ATOM 0 HB THR A 4 133.257 -11.677 -20.101 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.273 -12.930 -19.791 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.878 -13.910 -21.110 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.587 -13.627 -20.698 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.580 -14.663 -19.658 1.00 0.80 H new ATOM 54 N TYR A 5 133.483 -9.946 -18.467 1.00 0.48 N ATOM 55 CA TYR A 5 133.205 -8.581 -18.004 1.00 0.46 C ATOM 56 C TYR A 5 132.136 -8.515 -16.910 1.00 0.42 C ATOM 57 O TYR A 5 132.105 -7.553 -16.141 1.00 0.47 O ATOM 58 CB TYR A 5 132.785 -7.709 -19.192 1.00 0.59 C ATOM 59 CG TYR A 5 132.432 -6.281 -18.827 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.303 -5.492 -18.084 1.00 0.71 C ATOM 61 CD2 TYR A 5 131.225 -5.721 -19.230 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.982 -4.189 -17.754 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.898 -4.419 -18.904 1.00 0.90 C ATOM 64 CZ TYR A 5 131.779 -3.658 -18.167 1.00 0.65 C ATOM 65 OH TYR A 5 131.456 -2.360 -17.842 1.00 0.79 O ATOM 0 H TYR A 5 133.382 -10.068 -19.475 1.00 0.48 H new ATOM 0 HA TYR A 5 134.128 -8.207 -17.561 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.595 -7.695 -19.921 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.926 -8.170 -19.679 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.247 -5.905 -17.759 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.531 -6.314 -19.808 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.670 -3.590 -17.176 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.956 -4.000 -19.225 1.00 0.90 H new ATOM 0 HH TYR A 5 130.575 -2.140 -18.210 1.00 0.79 H new ATOM 75 N GLU A 6 131.268 -9.523 -16.820 1.00 0.48 N ATOM 76 CA GLU A 6 130.227 -9.534 -15.794 1.00 0.50 C ATOM 77 C GLU A 6 130.800 -9.910 -14.423 1.00 0.38 C ATOM 78 O GLU A 6 130.120 -9.772 -13.404 1.00 0.47 O ATOM 79 CB GLU A 6 129.117 -10.516 -16.180 1.00 0.60 C ATOM 80 CG GLU A 6 127.900 -9.851 -16.802 1.00 0.65 C ATOM 81 CD GLU A 6 126.757 -10.824 -17.017 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.965 -11.027 -16.073 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.656 -11.385 -18.129 1.00 1.16 O ATOM 0 H GLU A 6 131.265 -10.334 -17.438 1.00 0.48 H new ATOM 0 HA GLU A 6 129.813 -8.528 -15.726 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.519 -11.247 -16.882 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.805 -11.065 -15.292 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.565 -9.038 -16.158 1.00 0.65 H new ATOM 0 HG3 GLU A 6 128.180 -9.407 -17.757 1.00 0.65 H new ATOM 90 N GLU A 7 132.047 -10.391 -14.405 1.00 0.30 N ATOM 91 CA GLU A 7 132.703 -10.791 -13.161 1.00 0.29 C ATOM 92 C GLU A 7 133.556 -9.660 -12.592 1.00 0.28 C ATOM 93 O GLU A 7 133.661 -9.511 -11.373 1.00 0.46 O ATOM 94 CB GLU A 7 133.576 -12.025 -13.396 1.00 0.40 C ATOM 95 CG GLU A 7 133.607 -12.986 -12.217 1.00 0.56 C ATOM 96 CD GLU A 7 134.804 -12.760 -11.312 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.917 -13.193 -11.678 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.628 -12.146 -10.238 1.00 0.81 O ATOM 0 H GLU A 7 132.621 -10.512 -15.240 1.00 0.30 H new ATOM 0 HA GLU A 7 131.923 -11.029 -12.437 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.211 -12.555 -14.276 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.593 -11.703 -13.617 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.691 -12.873 -11.637 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.625 -14.011 -12.588 1.00 0.56 H new ATOM 105 N VAL A 8 134.160 -8.861 -13.476 1.00 0.34 N ATOM 106 CA VAL A 8 134.999 -7.744 -13.054 1.00 0.36 C ATOM 107 C VAL A 8 134.159 -6.631 -12.425 1.00 0.28 C ATOM 108 O VAL A 8 134.594 -5.985 -11.471 1.00 0.39 O ATOM 109 CB VAL A 8 135.820 -7.185 -14.240 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.943 -6.374 -15.185 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.994 -6.354 -13.740 1.00 0.77 C ATOM 0 H VAL A 8 134.082 -8.970 -14.487 1.00 0.34 H new ATOM 0 HA VAL A 8 135.691 -8.122 -12.302 1.00 0.36 H new ATOM 0 HB VAL A 8 136.216 -8.032 -14.801 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.549 -5.995 -16.008 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.150 -7.009 -15.581 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.502 -5.537 -14.644 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.557 -5.971 -14.591 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.622 -5.519 -13.146 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.644 -6.976 -13.125 1.00 0.77 H new ATOM 121 N LEU A 9 132.955 -6.410 -12.967 1.00 0.36 N ATOM 122 CA LEU A 9 132.055 -5.376 -12.454 1.00 0.49 C ATOM 123 C LEU A 9 131.831 -5.546 -10.951 1.00 0.53 C ATOM 124 O LEU A 9 131.927 -4.579 -10.193 1.00 0.73 O ATOM 125 CB LEU A 9 130.713 -5.418 -13.194 1.00 0.66 C ATOM 126 CG LEU A 9 130.744 -4.879 -14.628 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.716 -5.593 -15.493 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.501 -3.375 -14.642 1.00 0.72 C ATOM 0 H LEU A 9 132.584 -6.934 -13.760 1.00 0.36 H new ATOM 0 HA LEU A 9 132.522 -4.406 -12.626 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.361 -6.449 -13.218 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.983 -4.845 -12.623 1.00 0.66 H new ATOM 0 HG LEU A 9 131.734 -5.071 -15.042 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.755 -5.195 -16.507 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.936 -6.660 -15.513 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.720 -5.436 -15.079 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.527 -3.012 -15.669 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.526 -3.160 -14.206 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.276 -2.876 -14.061 1.00 0.72 H new ATOM 140 N GLN A 10 131.536 -6.781 -10.523 1.00 0.42 N ATOM 141 CA GLN A 10 131.305 -7.077 -9.106 1.00 0.49 C ATOM 142 C GLN A 10 132.570 -6.852 -8.269 1.00 0.43 C ATOM 143 O GLN A 10 132.485 -6.642 -7.058 1.00 0.50 O ATOM 144 CB GLN A 10 130.824 -8.523 -8.938 1.00 0.60 C ATOM 145 CG GLN A 10 129.487 -8.805 -9.608 1.00 0.69 C ATOM 146 CD GLN A 10 128.307 -8.273 -8.813 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.145 -7.062 -8.658 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.473 -9.177 -8.307 1.00 0.84 N ATOM 0 H GLN A 10 131.452 -7.590 -11.139 1.00 0.42 H new ATOM 0 HA GLN A 10 130.536 -6.393 -8.748 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.576 -9.197 -9.349 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.742 -8.748 -7.875 1.00 0.60 H new ATOM 0 HG2 GLN A 10 129.482 -8.357 -10.601 1.00 0.69 H new ATOM 0 HG3 GLN A 10 129.373 -9.881 -9.743 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.645 -10.171 -8.459 1.00 0.84 H new ATOM 0 HE22 GLN A 10 126.662 -8.876 -7.767 1.00 0.84 H new ATOM 157 N GLU A 11 133.737 -6.874 -8.921 1.00 0.41 N ATOM 158 CA GLU A 11 135.009 -6.647 -8.236 1.00 0.44 C ATOM 159 C GLU A 11 135.242 -5.147 -8.041 1.00 0.40 C ATOM 160 O GLU A 11 135.851 -4.728 -7.056 1.00 0.56 O ATOM 161 CB GLU A 11 136.167 -7.260 -9.032 1.00 0.52 C ATOM 162 CG GLU A 11 136.125 -8.779 -9.108 1.00 0.63 C ATOM 163 CD GLU A 11 137.052 -9.339 -10.173 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.278 -9.111 -10.075 1.00 1.54 O ATOM 165 OE2 GLU A 11 136.554 -10.007 -11.104 1.00 1.64 O ATOM 0 H GLU A 11 133.825 -7.047 -9.922 1.00 0.41 H new ATOM 0 HA GLU A 11 134.966 -7.129 -7.260 1.00 0.44 H new ATOM 0 HB2 GLU A 11 136.155 -6.855 -10.044 1.00 0.52 H new ATOM 0 HB3 GLU A 11 137.110 -6.954 -8.578 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.399 -9.195 -8.138 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.104 -9.100 -9.315 1.00 0.63 H new ATOM 172 N LEU A 12 134.732 -4.346 -8.984 1.00 0.34 N ATOM 173 CA LEU A 12 134.858 -2.892 -8.918 1.00 0.34 C ATOM 174 C LEU A 12 134.095 -2.357 -7.708 1.00 0.31 C ATOM 175 O LEU A 12 134.679 -1.715 -6.833 1.00 0.39 O ATOM 176 CB LEU A 12 134.334 -2.246 -10.208 1.00 0.36 C ATOM 177 CG LEU A 12 135.104 -1.009 -10.686 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.958 0.134 -9.691 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.575 -1.343 -10.910 1.00 0.59 C ATOM 0 H LEU A 12 134.227 -4.685 -9.803 1.00 0.34 H new ATOM 0 HA LEU A 12 135.912 -2.637 -8.812 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.352 -2.993 -11.001 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.291 -1.967 -10.057 1.00 0.36 H new ATOM 0 HG LEU A 12 134.678 -0.690 -11.637 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.512 1.002 -10.050 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.904 0.394 -9.587 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.353 -0.174 -8.723 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.103 -0.452 -11.249 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.015 -1.692 -9.976 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.660 -2.124 -11.666 1.00 0.59 H new ATOM 191 N VAL A 13 132.785 -2.632 -7.667 1.00 0.26 N ATOM 192 CA VAL A 13 131.938 -2.188 -6.560 1.00 0.26 C ATOM 193 C VAL A 13 132.521 -2.632 -5.217 1.00 0.22 C ATOM 194 O VAL A 13 132.757 -1.802 -4.341 1.00 0.24 O ATOM 195 CB VAL A 13 130.484 -2.710 -6.692 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.452 -4.224 -6.870 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.652 -2.294 -5.484 1.00 0.53 C ATOM 0 H VAL A 13 132.292 -3.159 -8.388 1.00 0.26 H new ATOM 0 HA VAL A 13 131.912 -1.099 -6.602 1.00 0.26 H new ATOM 0 HB VAL A 13 130.049 -2.260 -7.584 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.418 -4.558 -6.959 1.00 0.61 H new ATOM 0 HG12 VAL A 13 131.001 -4.496 -7.772 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.914 -4.702 -6.006 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.635 -2.670 -5.596 1.00 0.53 H new ATOM 0 HG22 VAL A 13 130.094 -2.708 -4.578 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.631 -1.206 -5.414 1.00 0.53 H new ATOM 207 N LYS A 14 132.730 -3.945 -5.056 1.00 0.24 N ATOM 208 CA LYS A 14 133.268 -4.511 -3.819 1.00 0.23 C ATOM 209 C LYS A 14 134.467 -3.721 -3.294 1.00 0.21 C ATOM 210 O LYS A 14 134.572 -3.479 -2.092 1.00 0.28 O ATOM 211 CB LYS A 14 133.673 -5.972 -4.046 1.00 0.30 C ATOM 212 CG LYS A 14 132.855 -6.965 -3.234 1.00 0.84 C ATOM 213 CD LYS A 14 133.156 -8.404 -3.627 1.00 0.68 C ATOM 214 CE LYS A 14 132.876 -9.361 -2.477 1.00 0.73 C ATOM 215 NZ LYS A 14 132.578 -10.741 -2.955 1.00 0.75 N ATOM 0 H LYS A 14 132.531 -4.639 -5.777 1.00 0.24 H new ATOM 0 HA LYS A 14 132.481 -4.454 -3.067 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.569 -6.209 -5.105 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.727 -6.091 -3.795 1.00 0.30 H new ATOM 0 HG2 LYS A 14 133.065 -6.827 -2.173 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.793 -6.764 -3.378 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.551 -8.682 -4.490 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.200 -8.490 -3.929 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.738 -9.387 -1.810 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.033 -8.990 -1.894 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.394 -11.359 -2.139 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.740 -10.722 -3.571 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.392 -11.107 -3.489 1.00 0.75 H new ATOM 229 N HIS A 15 135.362 -3.313 -4.197 1.00 0.25 N ATOM 230 CA HIS A 15 136.547 -2.544 -3.811 1.00 0.27 C ATOM 231 C HIS A 15 136.157 -1.149 -3.327 1.00 0.23 C ATOM 232 O HIS A 15 136.735 -0.635 -2.368 1.00 0.43 O ATOM 233 CB HIS A 15 137.519 -2.436 -4.988 1.00 0.33 C ATOM 234 CG HIS A 15 138.426 -3.618 -5.122 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.798 -3.508 -5.200 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.152 -4.942 -5.190 1.00 0.72 C ATOM 237 CE1 HIS A 15 140.327 -4.712 -5.312 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.351 -5.601 -5.307 1.00 0.72 N ATOM 0 H HIS A 15 135.289 -3.502 -5.197 1.00 0.25 H new ATOM 0 HA HIS A 15 137.038 -3.069 -2.992 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.949 -2.318 -5.910 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.123 -1.536 -4.869 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.172 -5.396 -5.158 1.00 0.72 H new ATOM 0 HE1 HIS A 15 141.381 -4.933 -5.394 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.468 -6.612 -5.378 1.00 0.72 H new ATOM 247 N LYS A 16 135.167 -0.549 -3.991 1.00 0.21 N ATOM 248 CA LYS A 16 134.687 0.782 -3.623 1.00 0.25 C ATOM 249 C LYS A 16 133.989 0.740 -2.266 1.00 0.32 C ATOM 250 O LYS A 16 134.286 1.545 -1.381 1.00 0.62 O ATOM 251 CB LYS A 16 133.729 1.322 -4.689 1.00 0.37 C ATOM 252 CG LYS A 16 134.435 1.896 -5.907 1.00 0.50 C ATOM 253 CD LYS A 16 133.482 2.062 -7.081 1.00 0.57 C ATOM 254 CE LYS A 16 132.722 3.380 -7.008 1.00 0.59 C ATOM 255 NZ LYS A 16 131.277 3.183 -6.694 1.00 0.66 N ATOM 0 H LYS A 16 134.683 -0.965 -4.786 1.00 0.21 H new ATOM 0 HA LYS A 16 135.547 1.449 -3.556 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.065 0.519 -5.009 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.103 2.095 -4.244 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.872 2.862 -5.653 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.257 1.240 -6.195 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.043 2.017 -8.014 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.774 1.234 -7.095 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.174 4.016 -6.246 1.00 0.59 H new ATOM 0 HE3 LYS A 16 132.817 3.905 -7.959 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 130.801 4.107 -6.655 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 130.838 2.598 -7.433 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.183 2.706 -5.775 1.00 0.66 H new ATOM 269 N GLU A 17 133.061 -0.209 -2.111 1.00 0.32 N ATOM 270 CA GLU A 17 132.321 -0.364 -0.862 1.00 0.39 C ATOM 271 C GLU A 17 133.280 -0.648 0.292 1.00 0.32 C ATOM 272 O GLU A 17 133.336 0.116 1.254 1.00 0.40 O ATOM 273 CB GLU A 17 131.290 -1.490 -0.986 1.00 0.51 C ATOM 274 CG GLU A 17 130.103 -1.333 -0.050 1.00 0.80 C ATOM 275 CD GLU A 17 129.803 -2.599 0.729 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.419 -2.796 1.798 1.00 1.47 O ATOM 277 OE2 GLU A 17 128.955 -3.393 0.270 1.00 1.43 O ATOM 0 H GLU A 17 132.807 -0.880 -2.836 1.00 0.32 H new ATOM 0 HA GLU A 17 131.793 0.567 -0.655 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.929 -1.529 -2.014 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.779 -2.443 -0.783 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.301 -0.520 0.648 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.224 -1.050 -0.629 1.00 0.80 H new ATOM 284 N LEU A 18 134.016 -1.761 0.199 1.00 0.32 N ATOM 285 CA LEU A 18 134.969 -2.158 1.241 1.00 0.34 C ATOM 286 C LEU A 18 135.804 -0.975 1.732 1.00 0.33 C ATOM 287 O LEU A 18 136.022 -0.829 2.937 1.00 0.66 O ATOM 288 CB LEU A 18 135.896 -3.265 0.728 1.00 0.53 C ATOM 289 CG LEU A 18 135.502 -4.687 1.140 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.116 -5.707 0.192 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.927 -4.965 2.577 1.00 0.79 C ATOM 0 H LEU A 18 133.969 -2.405 -0.591 1.00 0.32 H new ATOM 0 HA LEU A 18 134.386 -2.532 2.083 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.928 -3.215 -0.360 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.906 -3.066 1.086 1.00 0.53 H new ATOM 0 HG LEU A 18 134.417 -4.774 1.081 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.825 -6.711 0.500 1.00 0.86 H new ATOM 0 HD12 LEU A 18 135.761 -5.521 -0.822 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.202 -5.620 0.218 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.639 -5.980 2.852 1.00 0.79 H new ATOM 0 HD22 LEU A 18 137.008 -4.859 2.664 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.438 -4.256 3.245 1.00 0.79 H new ATOM 303 N LEU A 19 136.264 -0.124 0.807 1.00 0.43 N ATOM 304 CA LEU A 19 137.064 1.045 1.172 1.00 0.44 C ATOM 305 C LEU A 19 136.221 2.069 1.933 1.00 0.30 C ATOM 306 O LEU A 19 136.705 2.706 2.871 1.00 0.45 O ATOM 307 CB LEU A 19 137.663 1.692 -0.082 1.00 0.57 C ATOM 308 CG LEU A 19 139.088 1.247 -0.426 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.265 1.133 -1.935 1.00 0.88 C ATOM 310 CD2 LEU A 19 140.104 2.217 0.162 1.00 0.94 C ATOM 0 H LEU A 19 136.096 -0.224 -0.194 1.00 0.43 H new ATOM 0 HA LEU A 19 137.872 0.711 1.823 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.015 1.471 -0.930 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.659 2.774 0.049 1.00 0.57 H new ATOM 0 HG LEU A 19 139.257 0.263 0.012 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.284 0.816 -2.159 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.562 0.400 -2.329 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.077 2.102 -2.398 1.00 0.88 H new ATOM 0 HD21 LEU A 19 141.111 1.887 -0.091 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.935 3.213 -0.247 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.994 2.247 1.246 1.00 0.94 H new ATOM 322 N ARG A 20 134.956 2.216 1.526 1.00 0.32 N ATOM 323 CA ARG A 20 134.041 3.154 2.170 1.00 0.50 C ATOM 324 C ARG A 20 133.780 2.749 3.616 1.00 0.40 C ATOM 325 O ARG A 20 134.014 3.541 4.530 1.00 0.47 O ATOM 326 CB ARG A 20 132.721 3.245 1.396 1.00 0.78 C ATOM 327 CG ARG A 20 132.680 4.399 0.407 1.00 0.89 C ATOM 328 CD ARG A 20 131.417 4.369 -0.440 1.00 0.98 C ATOM 329 NE ARG A 20 130.458 5.399 -0.036 1.00 1.06 N ATOM 330 CZ ARG A 20 129.489 5.215 0.867 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.337 4.038 1.471 1.00 1.74 N ATOM 332 NH2 ARG A 20 128.669 6.216 1.169 1.00 1.60 N ATOM 0 H ARG A 20 134.545 1.695 0.752 1.00 0.32 H new ATOM 0 HA ARG A 20 134.511 4.137 2.167 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.558 2.310 0.860 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.900 3.354 2.104 1.00 0.78 H new ATOM 0 HG2 ARG A 20 132.733 5.344 0.948 1.00 0.89 H new ATOM 0 HG3 ARG A 20 133.555 4.353 -0.242 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.681 4.511 -1.488 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.950 3.388 -0.359 1.00 0.98 H new ATOM 0 HE ARG A 20 130.534 6.318 -0.472 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.963 3.265 1.247 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.594 3.910 2.158 1.00 1.74 H new ATOM 0 HH21 ARG A 20 128.780 7.121 0.712 1.00 1.60 H new ATOM 0 HH22 ARG A 20 127.929 6.079 1.857 1.00 1.60 H new ATOM 346 N ARG A 21 133.296 1.518 3.830 1.00 0.36 N ATOM 347 CA ARG A 21 133.015 1.027 5.178 1.00 0.37 C ATOM 348 C ARG A 21 134.235 1.165 6.088 1.00 0.35 C ATOM 349 O ARG A 21 134.093 1.501 7.260 1.00 0.49 O ATOM 350 CB ARG A 21 132.563 -0.436 5.118 1.00 0.47 C ATOM 351 CG ARG A 21 132.084 -0.987 6.452 1.00 0.71 C ATOM 352 CD ARG A 21 131.320 -2.291 6.272 1.00 0.94 C ATOM 353 NE ARG A 21 131.614 -3.256 7.332 1.00 0.95 N ATOM 354 CZ ARG A 21 130.928 -4.385 7.526 1.00 1.19 C ATOM 355 NH1 ARG A 21 129.897 -4.694 6.742 1.00 2.03 N ATOM 356 NH2 ARG A 21 131.274 -5.210 8.510 1.00 1.50 N ATOM 0 H ARG A 21 133.093 0.849 3.087 1.00 0.36 H new ATOM 0 HA ARG A 21 132.214 1.635 5.599 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.759 -0.528 4.388 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.391 -1.048 4.759 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.939 -1.152 7.107 1.00 0.71 H new ATOM 0 HG3 ARG A 21 131.444 -0.253 6.942 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.250 -2.084 6.258 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.573 -2.727 5.306 1.00 0.94 H new ATOM 0 HE ARG A 21 132.391 -3.054 7.961 1.00 0.95 H new ATOM 0 HH11 ARG A 21 129.625 -4.066 5.986 1.00 2.03 H new ATOM 0 HH12 ARG A 21 129.379 -5.559 6.898 1.00 2.03 H new ATOM 0 HH21 ARG A 21 132.062 -4.980 9.115 1.00 1.50 H new ATOM 0 HH22 ARG A 21 130.751 -6.073 8.660 1.00 1.50 H new ATOM 370 N LYS A 22 135.432 0.909 5.542 1.00 0.33 N ATOM 371 CA LYS A 22 136.671 1.019 6.319 1.00 0.41 C ATOM 372 C LYS A 22 136.690 2.324 7.115 1.00 0.34 C ATOM 373 O LYS A 22 137.061 2.340 8.290 1.00 0.36 O ATOM 374 CB LYS A 22 137.894 0.947 5.398 1.00 0.56 C ATOM 375 CG LYS A 22 139.118 0.331 6.060 1.00 0.77 C ATOM 376 CD LYS A 22 139.993 -0.402 5.053 1.00 0.95 C ATOM 377 CE LYS A 22 141.242 0.396 4.710 1.00 0.76 C ATOM 378 NZ LYS A 22 142.304 0.252 5.747 1.00 0.71 N ATOM 0 H LYS A 22 135.567 0.626 4.571 1.00 0.33 H new ATOM 0 HA LYS A 22 136.710 0.182 7.017 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.638 0.365 4.513 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.142 1.952 5.058 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.701 1.113 6.547 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.800 -0.362 6.839 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.280 -1.372 5.458 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.422 -0.593 4.145 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.630 0.065 3.747 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.981 1.449 4.603 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.136 0.812 5.472 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.944 0.592 6.662 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.573 -0.749 5.831 1.00 0.71 H new ATOM 392 N ASP A 23 136.259 3.408 6.468 1.00 0.34 N ATOM 393 CA ASP A 23 136.192 4.718 7.108 1.00 0.32 C ATOM 394 C ASP A 23 135.021 4.754 8.088 1.00 0.29 C ATOM 395 O ASP A 23 135.206 4.985 9.281 1.00 0.34 O ATOM 396 CB ASP A 23 136.037 5.817 6.050 1.00 0.37 C ATOM 397 CG ASP A 23 137.368 6.407 5.626 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.991 5.857 4.692 1.00 1.17 O ATOM 399 OD2 ASP A 23 137.789 7.418 6.228 1.00 1.15 O ATOM 0 H ASP A 23 135.950 3.402 5.496 1.00 0.34 H new ATOM 0 HA ASP A 23 137.117 4.895 7.656 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.530 5.407 5.176 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.401 6.610 6.445 1.00 0.37 H new ATOM 404 N THR A 24 133.813 4.529 7.563 1.00 0.27 N ATOM 405 CA THR A 24 132.590 4.532 8.372 1.00 0.28 C ATOM 406 C THR A 24 132.732 3.668 9.638 1.00 0.27 C ATOM 407 O THR A 24 132.104 3.954 10.658 1.00 0.32 O ATOM 408 CB THR A 24 131.399 4.056 7.528 1.00 0.31 C ATOM 409 OG1 THR A 24 131.271 4.846 6.357 1.00 0.52 O ATOM 410 CG2 THR A 24 130.077 4.115 8.265 1.00 0.53 C ATOM 0 H THR A 24 133.655 4.341 6.573 1.00 0.27 H new ATOM 0 HA THR A 24 132.413 5.557 8.699 1.00 0.28 H new ATOM 0 HB THR A 24 131.614 3.015 7.286 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.508 4.528 5.830 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.279 3.765 7.610 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.125 3.480 9.150 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.874 5.143 8.566 1.00 0.53 H new ATOM 418 N HIS A 25 133.565 2.622 9.573 1.00 0.27 N ATOM 419 CA HIS A 25 133.788 1.741 10.721 1.00 0.31 C ATOM 420 C HIS A 25 134.709 2.411 11.738 1.00 0.33 C ATOM 421 O HIS A 25 134.421 2.414 12.934 1.00 0.43 O ATOM 422 CB HIS A 25 134.388 0.402 10.273 1.00 0.37 C ATOM 423 CG HIS A 25 133.944 -0.769 11.099 1.00 0.38 C ATOM 424 ND1 HIS A 25 133.565 -0.663 12.422 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.820 -2.081 10.780 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.230 -1.857 12.880 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.376 -2.734 11.904 1.00 0.75 N ATOM 0 H HIS A 25 134.094 2.367 8.739 1.00 0.27 H new ATOM 0 HA HIS A 25 132.823 1.549 11.191 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.117 0.224 9.232 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.475 0.471 10.312 1.00 0.37 H new ATOM 0 HD1 HIS A 25 133.546 0.202 12.962 1.00 0.92 H new ATOM 0 HD2 HIS A 25 134.031 -2.529 9.820 1.00 0.92 H new ATOM 0 HE1 HIS A 25 132.894 -2.078 13.882 1.00 0.79 H new ATOM 436 N ILE A 26 135.807 3.000 11.259 1.00 0.31 N ATOM 437 CA ILE A 26 136.738 3.696 12.146 1.00 0.35 C ATOM 438 C ILE A 26 136.109 4.993 12.671 1.00 0.34 C ATOM 439 O ILE A 26 136.604 5.589 13.628 1.00 0.46 O ATOM 440 CB ILE A 26 138.093 4.002 11.461 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.913 4.932 10.255 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.774 2.707 11.038 1.00 0.56 C ATOM 443 CD1 ILE A 26 139.151 5.739 9.920 1.00 0.68 C ATOM 0 H ILE A 26 136.070 3.009 10.274 1.00 0.31 H new ATOM 0 HA ILE A 26 136.941 3.026 12.981 1.00 0.35 H new ATOM 0 HB ILE A 26 138.727 4.515 12.184 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.632 4.336 9.386 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.087 5.615 10.454 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.725 2.936 10.558 1.00 0.56 H new ATOM 0 HG22 ILE A 26 138.951 2.085 11.916 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.134 2.171 10.337 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.949 6.373 9.057 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.421 6.362 10.773 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.974 5.063 9.689 1.00 0.68 H new ATOM 455 N ARG A 27 134.999 5.410 12.045 1.00 0.29 N ATOM 456 CA ARG A 27 134.277 6.611 12.446 1.00 0.35 C ATOM 457 C ARG A 27 133.288 6.291 13.569 1.00 0.34 C ATOM 458 O ARG A 27 133.103 7.093 14.485 1.00 0.39 O ATOM 459 CB ARG A 27 133.540 7.206 11.244 1.00 0.44 C ATOM 460 CG ARG A 27 132.999 8.605 11.484 1.00 0.52 C ATOM 461 CD ARG A 27 132.055 9.032 10.370 1.00 0.81 C ATOM 462 NE ARG A 27 131.349 10.271 10.693 1.00 0.91 N ATOM 463 CZ ARG A 27 130.270 10.336 11.478 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.754 9.232 12.013 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.702 11.511 11.724 1.00 1.68 N ATOM 0 H ARG A 27 134.584 4.922 11.251 1.00 0.29 H new ATOM 0 HA ARG A 27 134.995 7.342 12.817 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.218 7.231 10.391 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.713 6.549 10.975 1.00 0.44 H new ATOM 0 HG2 ARG A 27 132.475 8.635 12.439 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.827 9.311 11.552 1.00 0.52 H new ATOM 0 HD2 ARG A 27 132.620 9.167 9.448 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.330 8.239 10.186 1.00 0.81 H new ATOM 0 HE ARG A 27 131.703 11.140 10.294 1.00 0.91 H new ATOM 0 HH11 ARG A 27 130.183 8.326 11.825 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.930 9.292 12.611 1.00 1.19 H new ATOM 0 HH21 ARG A 27 130.090 12.361 11.314 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.878 11.564 12.323 1.00 1.68 H new ATOM 479 N GLU A 28 132.665 5.106 13.504 1.00 0.33 N ATOM 480 CA GLU A 28 131.718 4.690 14.537 1.00 0.38 C ATOM 481 C GLU A 28 132.455 4.435 15.852 1.00 0.37 C ATOM 482 O GLU A 28 131.941 4.738 16.930 1.00 0.47 O ATOM 483 CB GLU A 28 130.924 3.446 14.106 1.00 0.48 C ATOM 484 CG GLU A 28 131.744 2.164 14.043 1.00 0.81 C ATOM 485 CD GLU A 28 131.298 1.128 15.057 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.188 0.576 14.898 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.061 0.866 16.010 1.00 1.85 O ATOM 0 H GLU A 28 132.800 4.428 12.754 1.00 0.33 H new ATOM 0 HA GLU A 28 131.001 5.498 14.685 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.097 3.300 14.801 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.487 3.631 13.125 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.670 1.740 13.041 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.794 2.402 14.212 1.00 0.81 H new ATOM 494 N LEU A 29 133.676 3.893 15.750 1.00 0.34 N ATOM 495 CA LEU A 29 134.502 3.614 16.924 1.00 0.38 C ATOM 496 C LEU A 29 135.046 4.910 17.537 1.00 0.42 C ATOM 497 O LEU A 29 135.488 4.921 18.686 1.00 0.80 O ATOM 498 CB LEU A 29 135.657 2.679 16.552 1.00 0.48 C ATOM 499 CG LEU A 29 135.490 1.231 17.021 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.213 0.313 15.839 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.726 0.770 17.780 1.00 0.58 C ATOM 0 H LEU A 29 134.111 3.640 14.863 1.00 0.34 H new ATOM 0 HA LEU A 29 133.875 3.123 17.669 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.774 2.683 15.468 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.579 3.078 16.974 1.00 0.48 H new ATOM 0 HG LEU A 29 134.636 1.185 17.696 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.097 -0.711 16.193 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.298 0.630 15.339 1.00 0.84 H new ATOM 0 HD13 LEU A 29 136.045 0.362 15.137 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.589 -0.261 18.106 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.597 0.832 17.128 1.00 0.58 H new ATOM 0 HD23 LEU A 29 136.878 1.408 18.650 1.00 0.58 H new ATOM 513 N GLU A 30 134.983 6.007 16.771 1.00 0.42 N ATOM 514 CA GLU A 30 135.440 7.312 17.250 1.00 0.46 C ATOM 515 C GLU A 30 134.465 7.854 18.293 1.00 0.46 C ATOM 516 O GLU A 30 134.868 8.524 19.243 1.00 0.61 O ATOM 517 CB GLU A 30 135.570 8.299 16.087 1.00 0.51 C ATOM 518 CG GLU A 30 136.866 8.149 15.308 1.00 0.57 C ATOM 519 CD GLU A 30 137.997 8.973 15.893 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.635 8.505 16.860 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.245 10.087 15.384 1.00 1.24 O ATOM 0 H GLU A 30 134.620 6.014 15.818 1.00 0.42 H new ATOM 0 HA GLU A 30 136.422 7.190 17.708 1.00 0.46 H new ATOM 0 HB2 GLU A 30 134.729 8.161 15.408 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.503 9.316 16.474 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.157 7.099 15.293 1.00 0.57 H new ATOM 0 HG3 GLU A 30 136.700 8.449 14.273 1.00 0.57 H new ATOM 528 N ASP A 31 133.182 7.524 18.118 1.00 0.43 N ATOM 529 CA ASP A 31 132.135 7.935 19.048 1.00 0.58 C ATOM 530 C ASP A 31 131.996 6.904 20.171 1.00 0.59 C ATOM 531 O ASP A 31 131.620 7.240 21.295 1.00 0.78 O ATOM 532 CB ASP A 31 130.804 8.096 18.309 1.00 0.71 C ATOM 533 CG ASP A 31 130.593 9.511 17.807 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.082 10.347 18.583 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.940 9.785 16.638 1.00 1.73 O ATOM 0 H ASP A 31 132.845 6.968 17.332 1.00 0.43 H new ATOM 0 HA ASP A 31 132.409 8.895 19.485 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.773 7.405 17.466 1.00 0.71 H new ATOM 0 HB3 ASP A 31 129.986 7.823 18.975 1.00 0.71 H new ATOM 540 N TYR A 32 132.327 5.648 19.851 1.00 0.51 N ATOM 541 CA TYR A 32 132.270 4.557 20.822 1.00 0.56 C ATOM 542 C TYR A 32 133.323 4.767 21.909 1.00 0.55 C ATOM 543 O TYR A 32 133.051 4.573 23.095 1.00 0.64 O ATOM 544 CB TYR A 32 132.488 3.205 20.134 1.00 0.61 C ATOM 545 CG TYR A 32 131.203 2.466 19.828 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.404 1.971 20.851 1.00 1.15 C ATOM 547 CD2 TYR A 32 130.791 2.263 18.517 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.230 1.295 20.576 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.619 1.588 18.234 1.00 1.19 C ATOM 550 CZ TYR A 32 128.843 1.106 19.267 1.00 1.23 C ATOM 551 OH TYR A 32 127.675 0.433 18.989 1.00 1.55 O ATOM 0 H TYR A 32 132.638 5.364 18.922 1.00 0.51 H new ATOM 0 HA TYR A 32 131.280 4.555 21.279 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.036 3.364 19.205 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.114 2.580 20.771 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.705 2.117 21.878 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.397 2.639 17.706 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.619 0.917 21.383 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.312 1.439 17.209 1.00 1.19 H new ATOM 0 HH TYR A 32 127.547 0.387 18.018 1.00 1.55 H new ATOM 561 N ILE A 33 134.523 5.182 21.491 1.00 0.53 N ATOM 562 CA ILE A 33 135.617 5.442 22.424 1.00 0.62 C ATOM 563 C ILE A 33 135.395 6.770 23.153 1.00 0.58 C ATOM 564 O ILE A 33 135.678 6.878 24.348 1.00 0.77 O ATOM 565 CB ILE A 33 136.990 5.470 21.708 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.277 4.118 21.044 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.101 5.827 22.689 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.234 4.205 19.874 1.00 0.85 C ATOM 0 H ILE A 33 134.759 5.344 20.512 1.00 0.53 H new ATOM 0 HA ILE A 33 135.625 4.625 23.145 1.00 0.62 H new ATOM 0 HB ILE A 33 136.956 6.236 20.934 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.689 3.438 21.789 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.337 3.685 20.702 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.057 5.841 22.166 1.00 0.94 H new ATOM 0 HG22 ILE A 33 137.907 6.811 23.117 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.135 5.085 23.486 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.389 3.210 19.456 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.815 4.859 19.109 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.188 4.608 20.214 1.00 0.85 H new ATOM 580 N ASP A 34 134.894 7.777 22.418 1.00 0.49 N ATOM 581 CA ASP A 34 134.628 9.112 22.973 1.00 0.54 C ATOM 582 C ASP A 34 134.077 9.056 24.400 1.00 0.44 C ATOM 583 O ASP A 34 134.440 9.882 25.227 1.00 0.47 O ATOM 584 CB ASP A 34 133.651 9.877 22.073 1.00 0.75 C ATOM 585 CG ASP A 34 134.304 11.071 21.395 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.690 12.023 22.111 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.431 11.055 20.150 1.00 1.49 O ATOM 0 H ASP A 34 134.664 7.688 21.428 1.00 0.49 H new ATOM 0 HA ASP A 34 135.584 9.634 23.011 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.256 9.202 21.314 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.804 10.218 22.668 1.00 0.75 H new ATOM 592 N ASN A 35 133.200 8.083 24.675 1.00 0.53 N ATOM 593 CA ASN A 35 132.594 7.916 26.004 1.00 0.57 C ATOM 594 C ASN A 35 133.572 8.286 27.125 1.00 0.47 C ATOM 595 O ASN A 35 133.199 8.974 28.076 1.00 0.58 O ATOM 596 CB ASN A 35 132.108 6.475 26.192 1.00 0.74 C ATOM 597 CG ASN A 35 130.609 6.340 26.001 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.824 6.730 26.867 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.201 5.787 24.863 1.00 1.32 N ATOM 0 H ASN A 35 132.891 7.394 23.989 1.00 0.53 H new ATOM 0 HA ASN A 35 131.744 8.595 26.062 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.622 5.826 25.483 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.377 6.131 27.191 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.204 5.672 24.680 1.00 1.32 H new ATOM 0 HD22 ASN A 35 130.885 5.478 24.172 1.00 1.32 H new ATOM 606 N LEU A 36 134.827 7.842 26.995 1.00 0.42 N ATOM 607 CA LEU A 36 135.859 8.147 27.986 1.00 0.47 C ATOM 608 C LEU A 36 136.131 9.652 28.021 1.00 0.42 C ATOM 609 O LEU A 36 136.070 10.278 29.081 1.00 0.53 O ATOM 610 CB LEU A 36 137.155 7.387 27.671 1.00 0.66 C ATOM 611 CG LEU A 36 136.987 5.887 27.403 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.262 5.305 26.812 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.603 5.155 28.681 1.00 1.66 C ATOM 0 H LEU A 36 135.150 7.271 26.214 1.00 0.42 H new ATOM 0 HA LEU A 36 135.499 7.828 28.964 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.622 7.845 26.799 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.844 7.515 28.506 1.00 0.66 H new ATOM 0 HG LEU A 36 136.183 5.754 26.679 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.124 4.239 26.628 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.491 5.809 25.873 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.086 5.449 27.511 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.488 4.092 28.471 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.383 5.295 29.429 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.662 5.554 29.060 1.00 1.66 H new ATOM 625 N LEU A 37 136.413 10.225 26.847 1.00 0.36 N ATOM 626 CA LEU A 37 136.675 11.658 26.722 1.00 0.40 C ATOM 627 C LEU A 37 135.545 12.350 25.944 1.00 0.32 C ATOM 628 O LEU A 37 135.771 12.949 24.889 1.00 0.42 O ATOM 629 CB LEU A 37 138.026 11.893 26.033 1.00 0.56 C ATOM 630 CG LEU A 37 138.182 11.238 24.655 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.793 12.216 23.662 1.00 0.73 C ATOM 632 CD2 LEU A 37 139.028 9.975 24.756 1.00 0.63 C ATOM 0 H LEU A 37 136.465 9.713 25.966 1.00 0.36 H new ATOM 0 HA LEU A 37 136.714 12.091 27.722 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.179 12.967 25.926 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.817 11.522 26.685 1.00 0.56 H new ATOM 0 HG LEU A 37 137.192 10.959 24.294 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.895 11.732 22.691 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.147 13.089 23.566 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.775 12.529 24.017 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.128 9.524 23.769 1.00 0.63 H new ATOM 0 HD22 LEU A 37 140.016 10.229 25.141 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.546 9.268 25.431 1.00 0.63 H new ATOM 644 N VAL A 38 134.322 12.245 26.480 1.00 0.29 N ATOM 645 CA VAL A 38 133.129 12.840 25.868 1.00 0.41 C ATOM 646 C VAL A 38 132.033 13.053 26.923 1.00 0.38 C ATOM 647 O VAL A 38 132.234 12.744 28.100 1.00 0.61 O ATOM 648 CB VAL A 38 132.590 11.976 24.699 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.597 10.930 25.190 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.962 12.855 23.625 1.00 0.99 C ATOM 0 H VAL A 38 134.133 11.746 27.349 1.00 0.29 H new ATOM 0 HA VAL A 38 133.420 13.807 25.457 1.00 0.41 H new ATOM 0 HB VAL A 38 133.436 11.447 24.260 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.239 10.342 24.344 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.087 10.272 25.908 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.753 11.426 25.670 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.590 12.229 22.814 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.135 13.420 24.055 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.711 13.545 23.236 1.00 0.99 H new ATOM 660 N ARG A 39 130.871 13.559 26.502 1.00 0.44 N ATOM 661 CA ARG A 39 129.757 13.779 27.421 1.00 0.47 C ATOM 662 C ARG A 39 129.074 12.450 27.750 1.00 0.53 C ATOM 663 O ARG A 39 128.444 11.835 26.887 1.00 0.86 O ATOM 664 CB ARG A 39 128.746 14.763 26.813 1.00 0.59 C ATOM 665 CG ARG A 39 127.397 14.789 27.521 1.00 0.75 C ATOM 666 CD ARG A 39 127.489 15.447 28.891 1.00 0.97 C ATOM 667 NE ARG A 39 127.069 16.849 28.855 1.00 0.93 N ATOM 668 CZ ARG A 39 127.390 17.754 29.783 1.00 1.00 C ATOM 669 NH1 ARG A 39 128.137 17.416 30.832 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.962 19.006 29.660 1.00 1.48 N ATOM 0 H ARG A 39 130.680 13.822 25.535 1.00 0.44 H new ATOM 0 HA ARG A 39 130.146 14.210 28.343 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.174 15.765 26.834 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.589 14.505 25.766 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.675 15.327 26.907 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.025 13.770 27.631 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.866 14.900 29.599 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.515 15.385 29.255 1.00 0.97 H new ATOM 0 HE ARG A 39 126.494 17.154 28.070 1.00 0.93 H new ATOM 0 HH11 ARG A 39 128.470 16.457 30.933 1.00 1.27 H new ATOM 0 HH12 ARG A 39 128.376 18.116 31.535 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.390 19.273 28.859 1.00 1.48 H new ATOM 0 HH22 ARG A 39 127.205 19.700 30.367 1.00 1.48 H new ATOM 684 N VAL A 40 129.212 12.008 29.001 1.00 0.46 N ATOM 685 CA VAL A 40 128.613 10.747 29.438 1.00 0.53 C ATOM 686 C VAL A 40 127.191 10.954 29.957 1.00 0.53 C ATOM 687 O VAL A 40 126.853 12.027 30.463 1.00 0.66 O ATOM 688 CB VAL A 40 129.457 10.057 30.534 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.771 9.551 29.958 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.708 10.996 31.708 1.00 0.78 C ATOM 0 H VAL A 40 129.731 12.503 29.726 1.00 0.46 H new ATOM 0 HA VAL A 40 128.584 10.102 28.560 1.00 0.53 H new ATOM 0 HB VAL A 40 128.892 9.202 30.906 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.351 9.068 30.745 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.568 8.832 29.164 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.337 10.389 29.552 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.304 10.483 32.463 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.245 11.878 31.360 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.755 11.299 32.142 1.00 0.78 H new ATOM 700 N MET A 41 126.364 9.916 29.826 1.00 0.53 N ATOM 701 CA MET A 41 124.975 9.970 30.278 1.00 0.60 C ATOM 702 C MET A 41 124.696 8.886 31.318 1.00 0.86 C ATOM 703 O MET A 41 125.178 7.758 31.203 1.00 1.20 O ATOM 704 CB MET A 41 124.019 9.814 29.089 1.00 0.75 C ATOM 705 CG MET A 41 124.285 8.578 28.240 1.00 0.56 C ATOM 706 SD MET A 41 122.917 8.187 27.132 1.00 0.67 S ATOM 707 CE MET A 41 123.118 9.454 25.883 1.00 0.54 C ATOM 0 H MET A 41 126.634 9.025 29.409 1.00 0.53 H new ATOM 0 HA MET A 41 124.809 10.943 30.741 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.995 9.773 29.462 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.093 10.699 28.457 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.190 8.734 27.653 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.472 7.726 28.894 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.343 9.344 25.125 1.00 0.54 H new ATOM 0 HE2 MET A 41 123.036 10.437 26.346 1.00 0.54 H new ATOM 0 HE3 MET A 41 124.098 9.353 25.417 1.00 0.54 H new ATOM 718 N GLY B 1 135.036 4.320 -27.933 1.00 0.61 N ATOM 719 CA GLY B 1 136.417 3.904 -28.307 1.00 0.61 C ATOM 720 C GLY B 1 136.924 2.743 -27.470 1.00 0.52 C ATOM 721 O GLY B 1 137.062 1.626 -27.972 1.00 0.60 O ATOM 0 H1 GLY B 1 134.738 5.115 -28.534 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.384 3.521 -28.068 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.020 4.615 -26.936 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.435 3.623 -29.360 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.092 4.752 -28.192 1.00 0.61 H new ATOM 727 N SER B 2 137.204 3.008 -26.193 1.00 0.50 N ATOM 728 CA SER B 2 137.701 1.978 -25.279 1.00 0.49 C ATOM 729 C SER B 2 136.929 1.988 -23.962 1.00 0.47 C ATOM 730 O SER B 2 137.501 1.758 -22.896 1.00 0.63 O ATOM 731 CB SER B 2 139.198 2.180 -25.019 1.00 0.55 C ATOM 732 OG SER B 2 139.946 2.068 -26.218 1.00 0.67 O ATOM 0 H SER B 2 137.095 3.929 -25.768 1.00 0.50 H new ATOM 0 HA SER B 2 137.549 1.007 -25.750 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.363 3.161 -24.574 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.548 1.441 -24.299 1.00 0.55 H new ATOM 0 HG SER B 2 140.897 2.203 -26.024 1.00 0.67 H new ATOM 738 N LEU B 3 135.619 2.223 -24.049 1.00 0.48 N ATOM 739 CA LEU B 3 134.754 2.225 -22.872 1.00 0.55 C ATOM 740 C LEU B 3 134.121 0.843 -22.713 1.00 0.65 C ATOM 741 O LEU B 3 132.908 0.708 -22.537 1.00 1.02 O ATOM 742 CB LEU B 3 133.669 3.302 -23.004 1.00 0.62 C ATOM 743 CG LEU B 3 134.029 4.668 -22.416 1.00 0.61 C ATOM 744 CD1 LEU B 3 134.899 5.457 -23.385 1.00 0.61 C ATOM 745 CD2 LEU B 3 132.764 5.444 -22.075 1.00 0.76 C ATOM 0 H LEU B 3 135.134 2.415 -24.926 1.00 0.48 H new ATOM 0 HA LEU B 3 135.348 2.454 -21.987 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.434 3.430 -24.061 1.00 0.62 H new ATOM 0 HB3 LEU B 3 132.762 2.943 -22.517 1.00 0.62 H new ATOM 0 HG LEU B 3 134.598 4.513 -21.499 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.144 6.425 -22.948 1.00 0.61 H new ATOM 0 HD12 LEU B 3 135.818 4.905 -23.582 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.359 5.607 -24.320 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.034 6.414 -21.657 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.172 5.590 -22.978 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.180 4.884 -21.345 1.00 0.76 H new ATOM 757 N THR B 4 134.965 -0.185 -22.807 1.00 0.46 N ATOM 758 CA THR B 4 134.527 -1.569 -22.709 1.00 0.55 C ATOM 759 C THR B 4 135.351 -2.323 -21.655 1.00 0.42 C ATOM 760 O THR B 4 135.911 -1.706 -20.745 1.00 0.43 O ATOM 761 CB THR B 4 134.633 -2.237 -24.087 1.00 0.72 C ATOM 762 OG1 THR B 4 135.922 -2.040 -24.644 1.00 0.70 O ATOM 763 CG2 THR B 4 133.616 -1.711 -25.084 1.00 0.90 C ATOM 0 H THR B 4 135.969 -0.077 -22.953 1.00 0.46 H new ATOM 0 HA THR B 4 133.485 -1.598 -22.389 1.00 0.55 H new ATOM 0 HB THR B 4 134.437 -3.295 -23.913 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.969 -2.475 -25.521 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.743 -2.223 -26.038 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.609 -1.892 -24.707 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.764 -0.640 -25.224 1.00 0.90 H new ATOM 771 N TYR B 5 135.380 -3.655 -21.749 1.00 0.50 N ATOM 772 CA TYR B 5 136.093 -4.503 -20.783 1.00 0.45 C ATOM 773 C TYR B 5 137.586 -4.175 -20.661 1.00 0.41 C ATOM 774 O TYR B 5 138.196 -4.472 -19.633 1.00 0.46 O ATOM 775 CB TYR B 5 135.914 -5.977 -21.164 1.00 0.57 C ATOM 776 CG TYR B 5 136.637 -6.951 -20.254 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.470 -6.905 -18.874 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.485 -7.919 -20.779 1.00 0.80 C ATOM 779 CE1 TYR B 5 137.126 -7.795 -18.046 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.144 -8.811 -19.956 1.00 0.92 C ATOM 781 CZ TYR B 5 137.962 -8.746 -18.591 1.00 0.67 C ATOM 782 OH TYR B 5 138.616 -9.636 -17.770 1.00 0.84 O ATOM 0 H TYR B 5 134.914 -4.176 -22.491 1.00 0.50 H new ATOM 0 HA TYR B 5 135.653 -4.301 -19.806 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.850 -6.215 -21.158 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.268 -6.121 -22.185 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.817 -6.161 -18.443 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.631 -7.975 -21.848 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.985 -7.746 -16.976 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.800 -9.557 -20.380 1.00 0.92 H new ATOM 0 HH TYR B 5 139.164 -10.240 -18.313 1.00 0.84 H new ATOM 792 N GLU B 6 138.179 -3.563 -21.688 1.00 0.49 N ATOM 793 CA GLU B 6 139.598 -3.211 -21.640 1.00 0.50 C ATOM 794 C GLU B 6 139.837 -1.969 -20.771 1.00 0.38 C ATOM 795 O GLU B 6 140.981 -1.647 -20.445 1.00 0.44 O ATOM 796 CB GLU B 6 140.126 -2.960 -23.053 1.00 0.62 C ATOM 797 CG GLU B 6 140.877 -4.140 -23.645 1.00 0.68 C ATOM 798 CD GLU B 6 141.531 -3.802 -24.971 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.669 -3.288 -24.958 1.00 1.01 O ATOM 800 OE2 GLU B 6 140.902 -4.047 -26.023 1.00 1.14 O ATOM 0 H GLU B 6 137.705 -3.304 -22.553 1.00 0.49 H new ATOM 0 HA GLU B 6 140.134 -4.049 -21.194 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.289 -2.710 -23.705 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.786 -2.093 -23.036 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.640 -4.472 -22.941 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.188 -4.973 -23.785 1.00 0.68 H new ATOM 807 N GLU B 7 138.753 -1.282 -20.397 1.00 0.32 N ATOM 808 CA GLU B 7 138.847 -0.082 -19.568 1.00 0.29 C ATOM 809 C GLU B 7 138.654 -0.408 -18.089 1.00 0.27 C ATOM 810 O GLU B 7 139.272 0.219 -17.226 1.00 0.43 O ATOM 811 CB GLU B 7 137.806 0.948 -20.009 1.00 0.43 C ATOM 812 CG GLU B 7 138.283 2.388 -19.894 1.00 0.57 C ATOM 813 CD GLU B 7 137.850 3.043 -18.595 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.669 3.439 -18.493 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.692 3.156 -17.678 1.00 0.80 O ATOM 0 H GLU B 7 137.801 -1.539 -20.657 1.00 0.32 H new ATOM 0 HA GLU B 7 139.847 0.332 -19.698 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.526 0.749 -21.044 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.907 0.823 -19.406 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.370 2.414 -19.965 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.895 2.964 -20.734 1.00 0.57 H new ATOM 822 N VAL B 8 137.798 -1.392 -17.798 1.00 0.35 N ATOM 823 CA VAL B 8 137.531 -1.796 -16.422 1.00 0.37 C ATOM 824 C VAL B 8 138.745 -2.494 -15.806 1.00 0.28 C ATOM 825 O VAL B 8 139.027 -2.323 -14.620 1.00 0.40 O ATOM 826 CB VAL B 8 136.292 -2.718 -16.341 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.610 -4.115 -16.856 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.750 -2.772 -14.919 1.00 0.78 C ATOM 0 H VAL B 8 137.280 -1.921 -18.500 1.00 0.35 H new ATOM 0 HA VAL B 8 137.326 -0.890 -15.852 1.00 0.37 H new ATOM 0 HB VAL B 8 135.519 -2.296 -16.983 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.720 -4.740 -16.786 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.931 -4.055 -17.896 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.408 -4.552 -16.255 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.879 -3.426 -14.886 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.520 -3.159 -14.251 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.463 -1.770 -14.601 1.00 0.78 H new ATOM 838 N LEU B 9 139.460 -3.281 -16.620 1.00 0.35 N ATOM 839 CA LEU B 9 140.646 -4.001 -16.154 1.00 0.49 C ATOM 840 C LEU B 9 141.642 -3.044 -15.494 1.00 0.52 C ATOM 841 O LEU B 9 142.144 -3.320 -14.403 1.00 0.74 O ATOM 842 CB LEU B 9 141.318 -4.737 -17.318 1.00 0.65 C ATOM 843 CG LEU B 9 140.580 -5.987 -17.811 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.819 -6.200 -19.299 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.014 -7.213 -17.020 1.00 0.76 C ATOM 0 H LEU B 9 139.236 -3.434 -17.603 1.00 0.35 H new ATOM 0 HA LEU B 9 140.326 -4.732 -15.411 1.00 0.49 H new ATOM 0 HB2 LEU B 9 141.424 -4.044 -18.153 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.324 -5.025 -17.013 1.00 0.65 H new ATOM 0 HG LEU B 9 139.512 -5.837 -17.653 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.287 -7.092 -19.629 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.456 -5.335 -19.853 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.886 -6.326 -19.482 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.479 -8.090 -17.385 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.086 -7.365 -17.144 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.788 -7.064 -15.964 1.00 0.76 H new ATOM 857 N GLN B 10 141.919 -1.914 -16.160 1.00 0.41 N ATOM 858 CA GLN B 10 142.848 -0.911 -15.633 1.00 0.48 C ATOM 859 C GLN B 10 142.322 -0.279 -14.339 1.00 0.42 C ATOM 860 O GLN B 10 143.100 0.248 -13.542 1.00 0.48 O ATOM 861 CB GLN B 10 143.100 0.182 -16.678 1.00 0.58 C ATOM 862 CG GLN B 10 143.769 -0.328 -17.946 1.00 0.66 C ATOM 863 CD GLN B 10 145.258 -0.566 -17.771 1.00 0.81 C ATOM 864 OE1 GLN B 10 145.673 -1.447 -17.018 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.073 0.220 -18.469 1.00 0.83 N ATOM 0 H GLN B 10 141.512 -1.674 -17.064 1.00 0.41 H new ATOM 0 HA GLN B 10 143.785 -1.419 -15.405 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.150 0.647 -16.941 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.724 0.959 -16.236 1.00 0.58 H new ATOM 0 HG2 GLN B 10 143.291 -1.258 -18.255 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.613 0.393 -18.749 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.688 0.938 -19.082 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.083 0.104 -18.391 1.00 0.83 H new ATOM 874 N GLU B 11 141.004 -0.354 -14.123 1.00 0.40 N ATOM 875 CA GLU B 11 140.388 0.189 -12.912 1.00 0.42 C ATOM 876 C GLU B 11 140.547 -0.795 -11.749 1.00 0.37 C ATOM 877 O GLU B 11 140.668 -0.389 -10.593 1.00 0.54 O ATOM 878 CB GLU B 11 138.902 0.483 -13.150 1.00 0.48 C ATOM 879 CG GLU B 11 138.649 1.598 -14.154 1.00 0.62 C ATOM 880 CD GLU B 11 137.209 1.636 -14.638 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.303 1.824 -13.797 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.987 1.479 -15.857 1.00 1.61 O ATOM 0 H GLU B 11 140.346 -0.785 -14.772 1.00 0.40 H new ATOM 0 HA GLU B 11 140.892 1.122 -12.658 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.413 -0.426 -13.500 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.437 0.749 -12.201 1.00 0.48 H new ATOM 0 HG2 GLU B 11 138.900 2.556 -13.698 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.312 1.469 -15.009 1.00 0.62 H new ATOM 889 N LEU B 12 140.569 -2.092 -12.078 1.00 0.32 N ATOM 890 CA LEU B 12 140.738 -3.143 -11.078 1.00 0.30 C ATOM 891 C LEU B 12 142.121 -3.038 -10.437 1.00 0.28 C ATOM 892 O LEU B 12 142.237 -2.873 -9.221 1.00 0.36 O ATOM 893 CB LEU B 12 140.550 -4.527 -11.711 1.00 0.32 C ATOM 894 CG LEU B 12 139.857 -5.568 -10.824 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.716 -5.901 -9.612 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.481 -5.076 -10.390 1.00 0.54 C ATOM 0 H LEU B 12 140.471 -2.436 -13.033 1.00 0.32 H new ATOM 0 HA LEU B 12 139.979 -3.013 -10.306 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.971 -4.413 -12.628 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.528 -4.913 -11.998 1.00 0.32 H new ATOM 0 HG LEU B 12 139.725 -6.479 -11.408 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.205 -6.641 -8.996 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.673 -6.303 -9.944 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.885 -4.997 -9.027 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.007 -5.830 -9.762 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.587 -4.149 -9.827 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.864 -4.897 -11.271 1.00 0.54 H new ATOM 908 N VAL B 13 143.166 -3.125 -11.270 1.00 0.25 N ATOM 909 CA VAL B 13 144.544 -3.027 -10.791 1.00 0.26 C ATOM 910 C VAL B 13 144.748 -1.751 -9.970 1.00 0.22 C ATOM 911 O VAL B 13 145.178 -1.818 -8.821 1.00 0.26 O ATOM 912 CB VAL B 13 145.570 -3.064 -11.953 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.252 -2.010 -13.008 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.989 -2.883 -11.425 1.00 0.52 C ATOM 0 H VAL B 13 143.080 -3.263 -12.277 1.00 0.25 H new ATOM 0 HA VAL B 13 144.717 -3.897 -10.157 1.00 0.26 H new ATOM 0 HB VAL B 13 145.499 -4.043 -12.427 1.00 0.33 H new ATOM 0 HG11 VAL B 13 145.990 -2.062 -13.809 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.259 -2.193 -13.417 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.280 -1.020 -12.553 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.693 -2.912 -12.257 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.068 -1.922 -10.916 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.222 -3.685 -10.724 1.00 0.52 H new ATOM 924 N LYS B 14 144.454 -0.593 -10.576 1.00 0.24 N ATOM 925 CA LYS B 14 144.615 0.703 -9.917 1.00 0.25 C ATOM 926 C LYS B 14 144.061 0.700 -8.492 1.00 0.22 C ATOM 927 O LYS B 14 144.685 1.246 -7.583 1.00 0.29 O ATOM 928 CB LYS B 14 143.922 1.796 -10.739 1.00 0.34 C ATOM 929 CG LYS B 14 144.880 2.834 -11.303 1.00 0.87 C ATOM 930 CD LYS B 14 144.183 3.787 -12.264 1.00 0.75 C ATOM 931 CE LYS B 14 144.898 5.129 -12.327 1.00 0.70 C ATOM 932 NZ LYS B 14 144.651 5.838 -13.614 1.00 0.72 N ATOM 0 H LYS B 14 144.100 -0.531 -11.531 1.00 0.24 H new ATOM 0 HA LYS B 14 145.684 0.905 -9.854 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.378 1.331 -11.561 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.184 2.297 -10.112 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.322 3.403 -10.485 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.697 2.331 -11.820 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.149 3.343 -13.259 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.151 3.937 -11.947 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.565 5.755 -11.499 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.969 4.974 -12.199 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 145.157 6.747 -13.613 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.992 5.253 -14.404 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.631 6.010 -13.726 1.00 0.72 H new ATOM 946 N HIS B 15 142.894 0.080 -8.301 1.00 0.24 N ATOM 947 CA HIS B 15 142.269 0.008 -6.979 1.00 0.27 C ATOM 948 C HIS B 15 143.079 -0.882 -6.037 1.00 0.25 C ATOM 949 O HIS B 15 143.227 -0.571 -4.855 1.00 0.45 O ATOM 950 CB HIS B 15 140.838 -0.522 -7.093 1.00 0.33 C ATOM 951 CG HIS B 15 139.834 0.535 -7.424 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.692 0.746 -6.683 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.805 1.447 -8.424 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.003 1.740 -7.213 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.657 2.184 -8.270 1.00 0.76 N ATOM 0 H HIS B 15 142.364 -0.378 -9.043 1.00 0.24 H new ATOM 0 HA HIS B 15 142.244 1.016 -6.565 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.806 -1.295 -7.860 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.558 -0.995 -6.152 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.547 1.572 -9.199 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.064 2.124 -6.844 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.358 2.950 -8.874 1.00 0.76 H new ATOM 964 N LYS B 16 143.613 -1.979 -6.578 1.00 0.21 N ATOM 965 CA LYS B 16 144.426 -2.907 -5.794 1.00 0.27 C ATOM 966 C LYS B 16 145.745 -2.251 -5.389 1.00 0.36 C ATOM 967 O LYS B 16 146.126 -2.278 -4.217 1.00 0.69 O ATOM 968 CB LYS B 16 144.699 -4.187 -6.589 1.00 0.35 C ATOM 969 CG LYS B 16 143.538 -5.168 -6.579 1.00 0.46 C ATOM 970 CD LYS B 16 143.686 -6.222 -7.666 1.00 0.49 C ATOM 971 CE LYS B 16 144.558 -7.383 -7.209 1.00 0.53 C ATOM 972 NZ LYS B 16 145.877 -7.408 -7.905 1.00 0.61 N ATOM 0 H LYS B 16 143.496 -2.245 -7.556 1.00 0.21 H new ATOM 0 HA LYS B 16 143.872 -3.168 -4.892 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.931 -3.922 -7.620 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.582 -4.678 -6.180 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.480 -5.654 -5.605 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.602 -4.627 -6.721 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.701 -6.595 -7.948 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.121 -5.768 -8.556 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.719 -7.312 -6.133 1.00 0.53 H new ATOM 0 HE3 LYS B 16 144.035 -8.322 -7.392 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 146.436 -8.215 -7.561 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.727 -7.502 -8.930 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.389 -6.524 -7.710 1.00 0.61 H new ATOM 986 N GLU B 17 146.433 -1.661 -6.371 1.00 0.30 N ATOM 987 CA GLU B 17 147.707 -0.992 -6.122 1.00 0.38 C ATOM 988 C GLU B 17 147.526 0.144 -5.117 1.00 0.32 C ATOM 989 O GLU B 17 148.140 0.133 -4.052 1.00 0.40 O ATOM 990 CB GLU B 17 148.294 -0.455 -7.430 1.00 0.51 C ATOM 991 CG GLU B 17 149.808 -0.322 -7.407 1.00 0.80 C ATOM 992 CD GLU B 17 150.282 1.036 -7.887 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.345 1.969 -7.059 1.00 1.49 O ATOM 994 OE2 GLU B 17 150.587 1.168 -9.092 1.00 1.47 O ATOM 0 H GLU B 17 146.127 -1.635 -7.344 1.00 0.30 H new ATOM 0 HA GLU B 17 148.402 -1.720 -5.702 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.008 -1.118 -8.246 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.855 0.520 -7.643 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.168 -0.491 -6.392 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.247 -1.098 -8.034 1.00 0.80 H new ATOM 1001 N LEU B 18 146.693 1.130 -5.471 1.00 0.32 N ATOM 1002 CA LEU B 18 146.435 2.284 -4.604 1.00 0.34 C ATOM 1003 C LEU B 18 146.221 1.868 -3.147 1.00 0.35 C ATOM 1004 O LEU B 18 146.738 2.517 -2.236 1.00 0.66 O ATOM 1005 CB LEU B 18 145.214 3.066 -5.102 1.00 0.51 C ATOM 1006 CG LEU B 18 145.534 4.305 -5.943 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.341 4.688 -6.807 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.945 5.469 -5.049 1.00 0.75 C ATOM 0 H LEU B 18 146.185 1.151 -6.355 1.00 0.32 H new ATOM 0 HA LEU B 18 147.318 2.921 -4.646 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.590 2.396 -5.693 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.623 3.374 -4.240 1.00 0.51 H new ATOM 0 HG LEU B 18 146.370 4.066 -6.600 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.588 5.571 -7.397 1.00 0.81 H new ATOM 0 HD12 LEU B 18 144.095 3.862 -7.474 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.485 4.906 -6.169 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.168 6.340 -5.665 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.131 5.708 -4.365 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.831 5.193 -4.476 1.00 0.75 H new ATOM 1020 N LEU B 19 145.467 0.785 -2.925 1.00 0.45 N ATOM 1021 CA LEU B 19 145.208 0.296 -1.570 1.00 0.47 C ATOM 1022 C LEU B 19 146.484 -0.257 -0.934 1.00 0.33 C ATOM 1023 O LEU B 19 146.716 -0.077 0.263 1.00 0.45 O ATOM 1024 CB LEU B 19 144.126 -0.789 -1.593 1.00 0.63 C ATOM 1025 CG LEU B 19 142.703 -0.293 -1.322 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.698 -1.046 -2.184 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.360 -0.441 0.155 1.00 0.96 C ATOM 0 H LEU B 19 145.029 0.235 -3.663 1.00 0.45 H new ATOM 0 HA LEU B 19 144.859 1.137 -0.970 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.144 -1.278 -2.567 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.377 -1.547 -0.851 1.00 0.63 H new ATOM 0 HG LEU B 19 142.652 0.764 -1.584 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.693 -0.679 -1.976 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.932 -0.888 -3.237 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.749 -2.111 -1.957 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.345 -0.084 0.330 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.430 -1.490 0.441 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.059 0.145 0.751 1.00 0.96 H new ATOM 1039 N ARG B 20 147.311 -0.923 -1.747 1.00 0.35 N ATOM 1040 CA ARG B 20 148.568 -1.495 -1.270 1.00 0.49 C ATOM 1041 C ARG B 20 149.522 -0.399 -0.809 1.00 0.40 C ATOM 1042 O ARG B 20 149.970 -0.414 0.339 1.00 0.49 O ATOM 1043 CB ARG B 20 149.225 -2.348 -2.361 1.00 0.76 C ATOM 1044 CG ARG B 20 148.894 -3.828 -2.251 1.00 0.85 C ATOM 1045 CD ARG B 20 149.444 -4.617 -3.430 1.00 0.96 C ATOM 1046 NE ARG B 20 150.617 -5.411 -3.061 1.00 1.06 N ATOM 1047 CZ ARG B 20 151.880 -4.980 -3.153 1.00 1.13 C ATOM 1048 NH1 ARG B 20 152.150 -3.757 -3.605 1.00 1.68 N ATOM 1049 NH2 ARG B 20 152.878 -5.779 -2.789 1.00 1.59 N ATOM 0 H ARG B 20 147.129 -1.078 -2.739 1.00 0.35 H new ATOM 0 HA ARG B 20 148.343 -2.136 -0.418 1.00 0.49 H new ATOM 0 HB2 ARG B 20 148.907 -1.984 -3.338 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.306 -2.220 -2.310 1.00 0.76 H new ATOM 0 HG2 ARG B 20 149.306 -4.225 -1.323 1.00 0.85 H new ATOM 0 HG3 ARG B 20 147.813 -3.956 -2.200 1.00 0.85 H new ATOM 0 HD2 ARG B 20 148.668 -5.276 -3.818 1.00 0.96 H new ATOM 0 HD3 ARG B 20 149.710 -3.930 -4.233 1.00 0.96 H new ATOM 0 HE ARG B 20 150.461 -6.356 -2.710 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.390 -3.138 -3.886 1.00 1.68 H new ATOM 0 HH12 ARG B 20 153.117 -3.440 -3.671 1.00 1.68 H new ATOM 0 HH21 ARG B 20 152.679 -6.717 -2.441 1.00 1.59 H new ATOM 0 HH22 ARG B 20 153.842 -5.454 -2.858 1.00 1.59 H new ATOM 1063 N ARG B 21 149.835 0.555 -1.696 1.00 0.35 N ATOM 1064 CA ARG B 21 150.736 1.654 -1.356 1.00 0.35 C ATOM 1065 C ARG B 21 150.273 2.386 -0.097 1.00 0.34 C ATOM 1066 O ARG B 21 151.098 2.780 0.724 1.00 0.47 O ATOM 1067 CB ARG B 21 150.834 2.634 -2.530 1.00 0.45 C ATOM 1068 CG ARG B 21 151.879 3.722 -2.339 1.00 0.70 C ATOM 1069 CD ARG B 21 152.189 4.430 -3.649 1.00 0.98 C ATOM 1070 NE ARG B 21 152.385 5.869 -3.467 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.869 6.682 -4.410 1.00 1.25 C ATOM 1072 NH1 ARG B 21 153.221 6.202 -5.602 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.002 7.981 -4.160 1.00 1.53 N ATOM 0 H ARG B 21 149.477 0.584 -2.651 1.00 0.35 H new ATOM 0 HA ARG B 21 151.721 1.232 -1.155 1.00 0.35 H new ATOM 0 HB2 ARG B 21 151.066 2.076 -3.437 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.861 3.101 -2.683 1.00 0.45 H new ATOM 0 HG2 ARG B 21 151.522 4.447 -1.607 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.792 3.285 -1.935 1.00 0.70 H new ATOM 0 HD2 ARG B 21 153.086 3.996 -4.091 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.374 4.262 -4.353 1.00 0.98 H new ATOM 0 HE ARG B 21 152.137 6.276 -2.565 1.00 0.97 H new ATOM 0 HH11 ARG B 21 153.122 5.206 -5.800 1.00 2.12 H new ATOM 0 HH12 ARG B 21 153.590 6.830 -6.316 1.00 2.12 H new ATOM 0 HH21 ARG B 21 152.735 8.355 -3.250 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.371 8.603 -4.879 1.00 1.53 H new ATOM 1087 N LYS B 22 148.953 2.560 0.054 1.00 0.30 N ATOM 1088 CA LYS B 22 148.395 3.240 1.228 1.00 0.36 C ATOM 1089 C LYS B 22 149.033 2.707 2.512 1.00 0.31 C ATOM 1090 O LYS B 22 149.389 3.477 3.405 1.00 0.36 O ATOM 1091 CB LYS B 22 146.874 3.060 1.284 1.00 0.47 C ATOM 1092 CG LYS B 22 146.148 4.228 1.936 1.00 0.69 C ATOM 1093 CD LYS B 22 144.756 4.419 1.351 1.00 0.86 C ATOM 1094 CE LYS B 22 143.676 3.914 2.298 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.367 4.899 3.375 1.00 0.70 N ATOM 0 H LYS B 22 148.256 2.241 -0.619 1.00 0.30 H new ATOM 0 HA LYS B 22 148.618 4.303 1.141 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.494 2.926 0.271 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.644 2.147 1.834 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.072 4.056 3.010 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.729 5.140 1.800 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.591 5.476 1.140 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.684 3.890 0.401 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.769 3.700 1.732 1.00 0.70 H new ATOM 0 HE3 LYS B 22 143.999 2.975 2.748 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.627 4.514 3.996 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.225 5.084 3.933 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 143.033 5.787 2.948 1.00 0.70 H new ATOM 1109 N ASP B 23 149.200 1.384 2.573 1.00 0.32 N ATOM 1110 CA ASP B 23 149.824 0.733 3.720 1.00 0.32 C ATOM 1111 C ASP B 23 151.331 0.989 3.704 1.00 0.30 C ATOM 1112 O ASP B 23 151.882 1.558 4.644 1.00 0.37 O ATOM 1113 CB ASP B 23 149.539 -0.773 3.696 1.00 0.36 C ATOM 1114 CG ASP B 23 148.314 -1.144 4.509 1.00 0.75 C ATOM 1115 OD1 ASP B 23 147.197 -1.113 3.949 1.00 1.15 O ATOM 1116 OD2 ASP B 23 148.471 -1.464 5.707 1.00 1.11 O ATOM 0 H ASP B 23 148.909 0.742 1.836 1.00 0.32 H new ATOM 0 HA ASP B 23 149.404 1.149 4.636 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.399 -1.097 2.665 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.405 -1.310 4.084 1.00 0.36 H new ATOM 1121 N THR B 24 151.984 0.555 2.623 1.00 0.28 N ATOM 1122 CA THR B 24 153.432 0.724 2.458 1.00 0.29 C ATOM 1123 C THR B 24 153.885 2.170 2.737 1.00 0.27 C ATOM 1124 O THR B 24 155.012 2.392 3.183 1.00 0.32 O ATOM 1125 CB THR B 24 153.853 0.297 1.044 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.432 -1.030 0.777 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.350 0.355 0.818 1.00 0.55 C ATOM 0 H THR B 24 151.530 0.080 1.843 1.00 0.28 H new ATOM 0 HA THR B 24 153.923 0.085 3.193 1.00 0.29 H new ATOM 0 HB THR B 24 153.373 1.010 0.373 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.707 -1.285 -0.128 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.577 0.041 -0.201 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.702 1.376 0.969 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.850 -0.309 1.523 1.00 0.55 H new ATOM 1135 N HIS B 25 152.999 3.142 2.494 1.00 0.26 N ATOM 1136 CA HIS B 25 153.313 4.551 2.742 1.00 0.29 C ATOM 1137 C HIS B 25 153.239 4.861 4.235 1.00 0.31 C ATOM 1138 O HIS B 25 154.142 5.488 4.788 1.00 0.41 O ATOM 1139 CB HIS B 25 152.359 5.468 1.969 1.00 0.34 C ATOM 1140 CG HIS B 25 152.992 6.744 1.498 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.056 7.345 2.142 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.703 7.537 0.438 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.391 8.449 1.499 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.586 8.588 0.462 1.00 0.74 N ATOM 0 H HIS B 25 152.062 2.978 2.127 1.00 0.26 H new ATOM 0 HA HIS B 25 154.329 4.735 2.393 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.970 4.927 1.107 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.507 5.709 2.605 1.00 0.34 H new ATOM 0 HD1 HIS B 25 154.512 6.991 2.983 1.00 0.86 H new ATOM 0 HD2 HIS B 25 151.923 7.373 -0.291 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.188 9.123 1.775 1.00 0.72 H new ATOM 1153 N ILE B 26 152.174 4.398 4.895 1.00 0.29 N ATOM 1154 CA ILE B 26 152.025 4.614 6.333 1.00 0.35 C ATOM 1155 C ILE B 26 153.038 3.764 7.112 1.00 0.35 C ATOM 1156 O ILE B 26 153.265 3.991 8.301 1.00 0.47 O ATOM 1157 CB ILE B 26 150.589 4.314 6.831 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.213 2.845 6.602 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.589 5.234 6.141 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.150 2.335 7.553 1.00 0.68 C ATOM 0 H ILE B 26 151.412 3.877 4.461 1.00 0.29 H new ATOM 0 HA ILE B 26 152.220 5.671 6.516 1.00 0.35 H new ATOM 0 HB ILE B 26 150.559 4.501 7.904 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.860 2.725 5.578 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.107 2.230 6.706 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.584 5.013 6.500 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.834 6.272 6.366 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.633 5.076 5.063 1.00 0.54 H new ATOM 0 HD11 ILE B 26 148.935 1.290 7.332 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.507 2.423 8.579 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.241 2.925 7.434 1.00 0.68 H new ATOM 1172 N ARG B 27 153.661 2.801 6.418 1.00 0.31 N ATOM 1173 CA ARG B 27 154.667 1.931 7.015 1.00 0.37 C ATOM 1174 C ARG B 27 156.047 2.591 6.958 1.00 0.34 C ATOM 1175 O ARG B 27 156.838 2.465 7.893 1.00 0.39 O ATOM 1176 CB ARG B 27 154.693 0.585 6.290 1.00 0.46 C ATOM 1177 CG ARG B 27 155.494 -0.487 7.009 1.00 0.53 C ATOM 1178 CD ARG B 27 155.710 -1.705 6.124 1.00 0.80 C ATOM 1179 NE ARG B 27 156.665 -2.645 6.707 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.992 -2.503 6.642 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.532 -1.467 6.004 1.00 1.21 N ATOM 1182 NH2 ARG B 27 158.781 -3.406 7.212 1.00 1.67 N ATOM 0 H ARG B 27 153.479 2.609 5.433 1.00 0.31 H new ATOM 0 HA ARG B 27 154.408 1.763 8.060 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.669 0.234 6.160 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.110 0.729 5.293 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.459 -0.080 7.313 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.973 -0.784 7.919 1.00 0.53 H new ATOM 0 HD2 ARG B 27 154.757 -2.210 5.963 1.00 0.80 H new ATOM 0 HD3 ARG B 27 156.069 -1.383 5.146 1.00 0.80 H new ATOM 0 HE ARG B 27 156.295 -3.461 7.194 1.00 0.90 H new ATOM 0 HH11 ARG B 27 157.932 -0.773 5.559 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.546 -1.367 5.960 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.374 -4.205 7.698 1.00 1.67 H new ATOM 0 HH22 ARG B 27 159.794 -3.301 7.164 1.00 1.67 H new ATOM 1196 N GLU B 28 156.326 3.312 5.863 1.00 0.33 N ATOM 1197 CA GLU B 28 157.607 4.003 5.715 1.00 0.36 C ATOM 1198 C GLU B 28 157.699 5.158 6.714 1.00 0.35 C ATOM 1199 O GLU B 28 158.769 5.429 7.262 1.00 0.44 O ATOM 1200 CB GLU B 28 157.811 4.510 4.278 1.00 0.47 C ATOM 1201 CG GLU B 28 156.900 5.664 3.880 1.00 0.78 C ATOM 1202 CD GLU B 28 157.662 6.947 3.603 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.387 7.002 2.587 1.00 1.62 O ATOM 1204 OE2 GLU B 28 157.529 7.898 4.401 1.00 1.79 O ATOM 0 H GLU B 28 155.687 3.429 5.077 1.00 0.33 H new ATOM 0 HA GLU B 28 158.403 3.289 5.926 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.848 4.825 4.161 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.650 3.682 3.588 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.334 5.384 2.992 1.00 0.78 H new ATOM 0 HG3 GLU B 28 156.177 5.841 4.676 1.00 0.78 H new ATOM 1211 N LEU B 29 156.560 5.817 6.962 1.00 0.33 N ATOM 1212 CA LEU B 29 156.497 6.926 7.913 1.00 0.38 C ATOM 1213 C LEU B 29 156.603 6.422 9.360 1.00 0.42 C ATOM 1214 O LEU B 29 156.886 7.199 10.272 1.00 0.79 O ATOM 1215 CB LEU B 29 155.198 7.715 7.724 1.00 0.46 C ATOM 1216 CG LEU B 29 155.361 9.064 7.019 1.00 0.47 C ATOM 1217 CD1 LEU B 29 154.779 9.009 5.613 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.704 10.173 7.829 1.00 0.59 C ATOM 0 H LEU B 29 155.670 5.598 6.515 1.00 0.33 H new ATOM 0 HA LEU B 29 157.344 7.584 7.719 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.499 7.105 7.152 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.747 7.884 8.702 1.00 0.46 H new ATOM 0 HG LEU B 29 156.426 9.283 6.939 1.00 0.47 H new ATOM 0 HD11 LEU B 29 154.905 9.977 5.129 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.297 8.244 5.034 1.00 0.82 H new ATOM 0 HD13 LEU B 29 153.718 8.766 5.668 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.830 11.124 7.312 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.641 9.960 7.943 1.00 0.59 H new ATOM 0 HD23 LEU B 29 155.170 10.230 8.813 1.00 0.59 H new ATOM 1230 N GLU B 30 156.407 5.111 9.552 1.00 0.43 N ATOM 1231 CA GLU B 30 156.514 4.500 10.876 1.00 0.45 C ATOM 1232 C GLU B 30 157.977 4.452 11.311 1.00 0.44 C ATOM 1233 O GLU B 30 158.287 4.595 12.493 1.00 0.58 O ATOM 1234 CB GLU B 30 155.919 3.090 10.870 1.00 0.51 C ATOM 1235 CG GLU B 30 154.405 3.072 11.002 1.00 0.58 C ATOM 1236 CD GLU B 30 153.944 3.062 12.447 1.00 0.93 C ATOM 1237 OE1 GLU B 30 153.889 4.149 13.060 1.00 1.35 O ATOM 1238 OE2 GLU B 30 153.639 1.967 12.965 1.00 1.26 O ATOM 0 H GLU B 30 156.174 4.456 8.805 1.00 0.43 H new ATOM 0 HA GLU B 30 155.951 5.107 11.585 1.00 0.45 H new ATOM 0 HB2 GLU B 30 156.201 2.589 9.944 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.354 2.517 11.688 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.990 3.945 10.498 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.010 2.193 10.493 1.00 0.58 H new ATOM 1245 N ASP B 31 158.871 4.285 10.332 1.00 0.41 N ATOM 1246 CA ASP B 31 160.308 4.254 10.583 1.00 0.55 C ATOM 1247 C ASP B 31 160.883 5.674 10.532 1.00 0.57 C ATOM 1248 O ASP B 31 161.870 5.981 11.201 1.00 0.76 O ATOM 1249 CB ASP B 31 161.006 3.364 9.550 1.00 0.69 C ATOM 1250 CG ASP B 31 161.127 1.927 10.016 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.110 1.611 10.719 1.00 1.66 O ATOM 1252 OD2 ASP B 31 160.236 1.117 9.681 1.00 1.74 O ATOM 0 H ASP B 31 158.618 4.169 9.351 1.00 0.41 H new ATOM 0 HA ASP B 31 160.482 3.840 11.576 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.450 3.394 8.613 1.00 0.69 H new ATOM 0 HB3 ASP B 31 162.000 3.761 9.344 1.00 0.69 H new ATOM 1257 N TYR B 32 160.229 6.536 9.743 1.00 0.49 N ATOM 1258 CA TYR B 32 160.639 7.932 9.610 1.00 0.56 C ATOM 1259 C TYR B 32 160.423 8.670 10.929 1.00 0.56 C ATOM 1260 O TYR B 32 161.276 9.447 11.364 1.00 0.67 O ATOM 1261 CB TYR B 32 159.860 8.623 8.486 1.00 0.60 C ATOM 1262 CG TYR B 32 160.616 8.693 7.178 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.758 9.475 7.054 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.188 7.978 6.068 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.450 9.543 5.859 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.874 8.039 4.870 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.005 8.823 4.771 1.00 1.21 C ATOM 1268 OH TYR B 32 162.691 8.888 3.580 1.00 1.53 O ATOM 0 H TYR B 32 159.411 6.286 9.187 1.00 0.49 H new ATOM 0 HA TYR B 32 161.699 7.956 9.358 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.922 8.091 8.326 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.603 9.634 8.802 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.111 10.039 7.905 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.303 7.363 6.142 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.335 10.157 5.778 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.527 7.476 4.016 1.00 1.17 H new ATOM 0 HH TYR B 32 162.247 8.321 2.915 1.00 1.53 H new ATOM 1278 N ILE B 33 159.282 8.403 11.571 1.00 0.54 N ATOM 1279 CA ILE B 33 158.954 9.023 12.853 1.00 0.64 C ATOM 1280 C ILE B 33 159.755 8.372 13.985 1.00 0.58 C ATOM 1281 O ILE B 33 160.208 9.060 14.901 1.00 0.78 O ATOM 1282 CB ILE B 33 157.441 8.922 13.170 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.618 9.646 12.097 1.00 0.84 C ATOM 1284 CG2 ILE B 33 157.141 9.501 14.549 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.200 9.130 11.966 1.00 0.87 C ATOM 0 H ILE B 33 158.571 7.761 11.221 1.00 0.54 H new ATOM 0 HA ILE B 33 159.219 10.078 12.777 1.00 0.64 H new ATOM 0 HB ILE B 33 157.161 7.869 13.170 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.588 10.710 12.331 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.122 9.546 11.136 1.00 0.84 H new ATOM 0 HG21 ILE B 33 156.073 9.421 14.753 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.697 8.947 15.305 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.438 10.550 14.576 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.680 9.689 11.189 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.221 8.073 11.700 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.678 9.256 12.915 1.00 0.87 H new ATOM 1297 N ASP B 34 159.917 7.040 13.910 1.00 0.46 N ATOM 1298 CA ASP B 34 160.659 6.269 14.919 1.00 0.50 C ATOM 1299 C ASP B 34 161.896 7.012 15.433 1.00 0.40 C ATOM 1300 O ASP B 34 162.200 6.944 16.617 1.00 0.45 O ATOM 1301 CB ASP B 34 161.076 4.910 14.349 1.00 0.69 C ATOM 1302 CG ASP B 34 160.361 3.754 15.030 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.604 3.535 16.238 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.556 3.070 14.358 1.00 1.46 O ATOM 0 H ASP B 34 159.539 6.471 13.152 1.00 0.46 H new ATOM 0 HA ASP B 34 159.986 6.126 15.764 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.864 4.886 13.280 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.153 4.786 14.463 1.00 0.69 H new ATOM 1309 N ASN B 35 162.604 7.707 14.535 1.00 0.52 N ATOM 1310 CA ASN B 35 163.813 8.464 14.893 1.00 0.58 C ATOM 1311 C ASN B 35 163.701 9.082 16.291 1.00 0.49 C ATOM 1312 O ASN B 35 164.646 9.019 17.078 1.00 0.61 O ATOM 1313 CB ASN B 35 164.080 9.564 13.860 1.00 0.78 C ATOM 1314 CG ASN B 35 165.171 9.183 12.878 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.356 9.196 13.214 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.779 8.840 11.654 1.00 1.31 N ATOM 0 H ASN B 35 162.359 7.762 13.546 1.00 0.52 H new ATOM 0 HA ASN B 35 164.647 7.762 14.899 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.161 9.776 13.314 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.363 10.482 14.376 1.00 0.78 H new ATOM 0 HD21 ASN B 35 165.470 8.574 10.953 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.787 8.842 11.417 1.00 1.31 H new ATOM 1323 N LEU B 36 162.535 9.659 16.600 1.00 0.44 N ATOM 1324 CA LEU B 36 162.298 10.264 17.912 1.00 0.51 C ATOM 1325 C LEU B 36 162.340 9.193 19.004 1.00 0.47 C ATOM 1326 O LEU B 36 163.081 9.318 19.980 1.00 0.59 O ATOM 1327 CB LEU B 36 160.944 10.987 17.938 1.00 0.71 C ATOM 1328 CG LEU B 36 160.688 11.943 16.767 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.226 12.362 16.731 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.595 13.163 16.864 1.00 1.64 C ATOM 0 H LEU B 36 161.743 9.719 15.960 1.00 0.44 H new ATOM 0 HA LEU B 36 163.085 10.994 18.100 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.152 10.239 17.954 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.870 11.550 18.868 1.00 0.71 H new ATOM 0 HG LEU B 36 160.917 11.420 15.839 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.062 13.040 15.894 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.597 11.480 16.611 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.969 12.867 17.662 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.399 13.830 16.024 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.399 13.689 17.798 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.637 12.845 16.839 1.00 1.64 H new ATOM 1342 N LEU B 37 161.549 8.133 18.816 1.00 0.41 N ATOM 1343 CA LEU B 37 161.496 7.020 19.764 1.00 0.48 C ATOM 1344 C LEU B 37 162.084 5.747 19.140 1.00 0.41 C ATOM 1345 O LEU B 37 161.394 4.735 18.999 1.00 0.54 O ATOM 1346 CB LEU B 37 160.050 6.773 20.214 1.00 0.65 C ATOM 1347 CG LEU B 37 159.048 6.507 19.083 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.156 5.322 19.424 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.211 7.748 18.806 1.00 0.69 C ATOM 0 H LEU B 37 160.933 8.024 18.010 1.00 0.41 H new ATOM 0 HA LEU B 37 162.095 7.283 20.636 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.039 5.922 20.895 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.710 7.639 20.782 1.00 0.65 H new ATOM 0 HG LEU B 37 159.608 6.264 18.180 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.453 5.150 18.609 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.771 4.433 19.567 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.605 5.533 20.341 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.506 7.539 18.001 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.662 8.025 19.706 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.864 8.570 18.512 1.00 0.69 H new ATOM 1361 N VAL B 38 163.362 5.810 18.757 1.00 0.36 N ATOM 1362 CA VAL B 38 164.043 4.673 18.134 1.00 0.49 C ATOM 1363 C VAL B 38 163.819 3.386 18.934 1.00 0.67 C ATOM 1364 O VAL B 38 163.588 3.429 20.143 1.00 1.35 O ATOM 1365 CB VAL B 38 165.561 4.940 17.993 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.291 3.714 17.459 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.810 6.143 17.095 1.00 0.89 C ATOM 0 H VAL B 38 163.947 6.638 18.868 1.00 0.36 H new ATOM 0 HA VAL B 38 163.614 4.547 17.140 1.00 0.49 H new ATOM 0 HB VAL B 38 165.956 5.158 18.985 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.355 3.934 17.371 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.148 2.878 18.144 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.893 3.452 16.479 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.883 6.316 17.007 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.391 5.952 16.107 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.335 7.024 17.527 1.00 0.89 H new ATOM 1377 N ARG B 39 163.870 2.252 18.228 1.00 0.54 N ATOM 1378 CA ARG B 39 163.655 0.930 18.827 1.00 0.62 C ATOM 1379 C ARG B 39 164.557 0.694 20.044 1.00 0.51 C ATOM 1380 O ARG B 39 165.622 0.081 19.933 1.00 0.63 O ATOM 1381 CB ARG B 39 163.886 -0.169 17.785 1.00 0.93 C ATOM 1382 CG ARG B 39 162.915 -0.116 16.614 1.00 1.15 C ATOM 1383 CD ARG B 39 163.617 -0.381 15.290 1.00 1.41 C ATOM 1384 NE ARG B 39 163.082 -1.562 14.610 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.443 -2.819 14.889 1.00 1.77 C ATOM 1386 NH1 ARG B 39 164.339 -3.073 15.841 1.00 2.06 N ATOM 1387 NH2 ARG B 39 162.902 -3.827 14.212 1.00 2.18 N ATOM 0 H ARG B 39 164.061 2.224 17.226 1.00 0.54 H new ATOM 0 HA ARG B 39 162.621 0.895 19.171 1.00 0.62 H new ATOM 0 HB2 ARG B 39 164.904 -0.089 17.405 1.00 0.93 H new ATOM 0 HB3 ARG B 39 163.803 -1.141 18.271 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.126 -0.853 16.762 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.435 0.862 16.583 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.510 0.489 14.643 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.684 -0.517 15.467 1.00 1.41 H new ATOM 0 HE ARG B 39 162.389 -1.417 13.876 1.00 1.58 H new ATOM 0 HH11 ARG B 39 164.757 -2.305 16.366 1.00 2.06 H new ATOM 0 HH12 ARG B 39 164.607 -4.036 16.045 1.00 2.06 H new ATOM 0 HH21 ARG B 39 162.214 -3.640 13.482 1.00 2.18 H new ATOM 0 HH22 ARG B 39 163.175 -4.787 14.422 1.00 2.18 H new ATOM 1401 N VAL B 40 164.114 1.184 21.204 1.00 0.43 N ATOM 1402 CA VAL B 40 164.859 1.034 22.453 1.00 0.56 C ATOM 1403 C VAL B 40 163.904 0.997 23.649 1.00 0.71 C ATOM 1404 O VAL B 40 163.648 2.022 24.287 1.00 1.15 O ATOM 1405 CB VAL B 40 165.882 2.180 22.651 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.685 1.972 23.928 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.811 2.294 21.450 1.00 0.65 C ATOM 0 H VAL B 40 163.235 1.692 21.303 1.00 0.43 H new ATOM 0 HA VAL B 40 165.403 0.092 22.390 1.00 0.56 H new ATOM 0 HB VAL B 40 165.327 3.113 22.742 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.397 2.788 24.047 1.00 1.04 H new ATOM 0 HG12 VAL B 40 166.010 1.952 24.783 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.224 1.026 23.869 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.520 3.106 21.614 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.355 1.358 21.321 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.224 2.500 20.555 1.00 0.65 H new ATOM 1417 N MET B 41 163.374 -0.192 23.943 1.00 0.60 N ATOM 1418 CA MET B 41 162.442 -0.367 25.058 1.00 0.74 C ATOM 1419 C MET B 41 162.336 -1.837 25.470 1.00 0.91 C ATOM 1420 O MET B 41 162.208 -2.700 24.572 1.00 0.91 O ATOM 1421 CB MET B 41 161.054 0.180 24.694 1.00 0.73 C ATOM 1422 CG MET B 41 160.531 -0.301 23.347 1.00 0.74 C ATOM 1423 SD MET B 41 158.958 0.461 22.903 1.00 0.86 S ATOM 1424 CE MET B 41 159.005 0.326 21.117 1.00 0.70 C ATOM 1425 OXT MET B 41 162.381 -2.111 26.688 1.00 1.13 O ATOM 0 H MET B 41 163.574 -1.047 23.425 1.00 0.60 H new ATOM 0 HA MET B 41 162.833 0.196 25.905 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.346 -0.109 25.471 1.00 0.73 H new ATOM 0 HB3 MET B 41 161.094 1.269 24.688 1.00 0.73 H new ATOM 0 HG2 MET B 41 161.268 -0.080 22.575 1.00 0.74 H new ATOM 0 HG3 MET B 41 160.411 -1.384 23.373 1.00 0.74 H new ATOM 0 HE1 MET B 41 158.096 0.756 20.696 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.872 0.864 20.734 1.00 0.70 H new ATOM 0 HE3 MET B 41 159.075 -0.724 20.833 1.00 0.70 H new