USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=10 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 -110:sc= 0.0467 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.33) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-0.34) 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 HD1:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.17 X(o=0.17,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 USER MOD Single : B 10 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.36) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=-0.013) 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 HD1:sc= 0 X(o=0,f=-0.38) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.174 X(o=0.17,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.056 -18.154 -19.721 1.00 0.77 N ATOM 2 CA GLY A 1 130.781 -18.123 -18.948 1.00 0.81 C ATOM 3 C GLY A 1 130.640 -16.870 -18.104 1.00 0.65 C ATOM 4 O GLY A 1 130.330 -15.797 -18.625 1.00 0.70 O ATOM 0 H1 GLY A 1 132.102 -19.030 -20.280 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.095 -17.334 -20.359 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.861 -18.120 -19.064 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.940 -18.188 -19.639 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.731 -18.999 -18.302 1.00 0.81 H new ATOM 10 N SER A 2 130.868 -17.007 -16.798 1.00 0.55 N ATOM 11 CA SER A 2 130.765 -15.876 -15.876 1.00 0.48 C ATOM 12 C SER A 2 132.115 -15.193 -15.667 1.00 0.47 C ATOM 13 O SER A 2 132.158 -14.038 -15.244 1.00 0.71 O ATOM 14 CB SER A 2 130.191 -16.332 -14.531 1.00 0.54 C ATOM 15 OG SER A 2 128.799 -16.077 -14.457 1.00 0.67 O ATOM 0 H SER A 2 131.125 -17.889 -16.355 1.00 0.55 H new ATOM 0 HA SER A 2 130.089 -15.148 -16.325 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.376 -17.398 -14.396 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.702 -15.814 -13.720 1.00 0.54 H new ATOM 0 HG SER A 2 128.457 -16.379 -13.590 1.00 0.67 H new ATOM 21 N LEU A 3 133.212 -15.890 -15.987 1.00 0.38 N ATOM 22 CA LEU A 3 134.550 -15.307 -15.852 1.00 0.43 C ATOM 23 C LEU A 3 134.797 -14.361 -17.027 1.00 0.53 C ATOM 24 O LEU A 3 135.655 -14.605 -17.878 1.00 0.88 O ATOM 25 CB LEU A 3 135.656 -16.385 -15.780 1.00 0.48 C ATOM 26 CG LEU A 3 135.208 -17.844 -15.949 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.386 -18.718 -16.357 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.580 -18.363 -14.662 1.00 1.42 C ATOM 0 H LEU A 3 133.200 -16.848 -16.337 1.00 0.38 H new ATOM 0 HA LEU A 3 134.591 -14.757 -14.912 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.396 -16.165 -16.549 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.159 -16.293 -14.818 1.00 0.48 H new ATOM 0 HG LEU A 3 134.457 -17.885 -16.738 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.051 -19.749 -16.473 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.794 -18.361 -17.303 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.157 -18.671 -15.588 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.269 -19.398 -14.801 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.309 -18.309 -13.854 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.712 -17.754 -14.409 1.00 1.42 H new ATOM 40 N THR A 4 134.008 -13.288 -17.070 1.00 0.41 N ATOM 41 CA THR A 4 134.082 -12.293 -18.132 1.00 0.49 C ATOM 42 C THR A 4 133.646 -10.924 -17.597 1.00 0.39 C ATOM 43 O THR A 4 133.715 -10.680 -16.394 1.00 0.39 O ATOM 44 CB THR A 4 133.203 -12.729 -19.318 1.00 0.65 C ATOM 45 OG1 THR A 4 131.947 -13.211 -18.869 1.00 0.64 O ATOM 46 CG2 THR A 4 133.833 -13.818 -20.161 1.00 0.80 C ATOM 0 H THR A 4 133.298 -13.086 -16.366 1.00 0.41 H new ATOM 0 HA THR A 4 135.111 -12.210 -18.481 1.00 0.49 H new ATOM 0 HB THR A 4 133.086 -11.834 -19.930 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.897 -14.179 -19.014 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.162 -14.079 -20.979 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.780 -13.462 -20.567 1.00 0.80 H new ATOM 0 HG23 THR A 4 134.012 -14.698 -19.544 1.00 0.80 H new ATOM 54 N TYR A 5 133.244 -10.022 -18.493 1.00 0.48 N ATOM 55 CA TYR A 5 132.834 -8.660 -18.127 1.00 0.46 C ATOM 56 C TYR A 5 131.979 -8.585 -16.856 1.00 0.42 C ATOM 57 O TYR A 5 132.158 -7.665 -16.055 1.00 0.47 O ATOM 58 CB TYR A 5 132.078 -8.014 -19.292 1.00 0.59 C ATOM 59 CG TYR A 5 131.884 -6.518 -19.147 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.938 -5.690 -18.778 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.643 -5.935 -19.379 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.761 -4.326 -18.645 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.461 -4.572 -19.248 1.00 0.90 C ATOM 64 CZ TYR A 5 131.522 -3.772 -18.881 1.00 0.65 C ATOM 65 OH TYR A 5 131.343 -2.413 -18.750 1.00 0.79 O ATOM 0 H TYR A 5 133.192 -10.212 -19.494 1.00 0.48 H new ATOM 0 HA TYR A 5 133.754 -8.116 -17.911 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.619 -8.212 -20.217 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.102 -8.489 -19.386 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.911 -6.120 -18.592 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.809 -6.558 -19.666 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.590 -3.697 -18.357 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.491 -4.135 -19.432 1.00 0.90 H new ATOM 0 HH TYR A 5 130.412 -2.185 -18.953 1.00 0.79 H new ATOM 75 N GLU A 6 131.050 -9.527 -16.662 1.00 0.48 N ATOM 76 CA GLU A 6 130.189 -9.512 -15.472 1.00 0.50 C ATOM 77 C GLU A 6 130.947 -9.918 -14.204 1.00 0.38 C ATOM 78 O GLU A 6 130.488 -9.648 -13.093 1.00 0.47 O ATOM 79 CB GLU A 6 128.986 -10.439 -15.674 1.00 0.60 C ATOM 80 CG GLU A 6 127.791 -9.755 -16.321 1.00 0.65 C ATOM 81 CD GLU A 6 126.661 -10.718 -16.629 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.844 -10.984 -15.722 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.593 -11.207 -17.776 1.00 1.16 O ATOM 0 H GLU A 6 130.875 -10.300 -17.304 1.00 0.48 H new ATOM 0 HA GLU A 6 129.844 -8.486 -15.339 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.289 -11.284 -16.292 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.683 -10.843 -14.708 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.424 -8.971 -15.659 1.00 0.65 H new ATOM 0 HG3 GLU A 6 128.111 -9.270 -17.243 1.00 0.65 H new ATOM 90 N GLU A 7 132.108 -10.554 -14.372 1.00 0.30 N ATOM 91 CA GLU A 7 132.923 -10.978 -13.235 1.00 0.29 C ATOM 92 C GLU A 7 133.676 -9.790 -12.646 1.00 0.28 C ATOM 93 O GLU A 7 133.686 -9.594 -11.430 1.00 0.46 O ATOM 94 CB GLU A 7 133.915 -12.066 -13.654 1.00 0.40 C ATOM 95 CG GLU A 7 134.122 -13.140 -12.598 1.00 0.56 C ATOM 96 CD GLU A 7 135.297 -12.844 -11.685 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.092 -12.175 -10.650 1.00 0.81 O ATOM 98 OE2 GLU A 7 136.422 -13.281 -12.005 1.00 1.01 O ATOM 0 H GLU A 7 132.503 -10.786 -15.283 1.00 0.30 H new ATOM 0 HA GLU A 7 132.256 -11.387 -12.476 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.561 -12.535 -14.572 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.875 -11.603 -13.882 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.216 -13.234 -11.999 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.281 -14.100 -13.089 1.00 0.56 H new ATOM 105 N VAL A 8 134.293 -8.990 -13.519 1.00 0.34 N ATOM 106 CA VAL A 8 135.035 -7.811 -13.089 1.00 0.36 C ATOM 107 C VAL A 8 134.078 -6.701 -12.648 1.00 0.28 C ATOM 108 O VAL A 8 134.383 -5.939 -11.729 1.00 0.39 O ATOM 109 CB VAL A 8 135.971 -7.295 -14.208 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.176 -6.689 -15.358 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.974 -6.293 -13.653 1.00 0.77 C ATOM 0 H VAL A 8 134.291 -9.141 -14.528 1.00 0.34 H new ATOM 0 HA VAL A 8 135.652 -8.102 -12.239 1.00 0.36 H new ATOM 0 HB VAL A 8 136.524 -8.148 -14.601 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.862 -6.336 -16.128 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.514 -7.445 -15.781 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.583 -5.852 -14.989 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.622 -5.943 -14.457 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.441 -5.446 -13.222 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.578 -6.772 -12.882 1.00 0.77 H new ATOM 121 N LEU A 9 132.915 -6.623 -13.306 1.00 0.36 N ATOM 122 CA LEU A 9 131.907 -5.618 -12.975 1.00 0.49 C ATOM 123 C LEU A 9 131.575 -5.664 -11.484 1.00 0.53 C ATOM 124 O LEU A 9 131.726 -4.665 -10.778 1.00 0.73 O ATOM 125 CB LEU A 9 130.636 -5.840 -13.802 1.00 0.66 C ATOM 126 CG LEU A 9 130.507 -4.961 -15.048 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.415 -5.493 -15.966 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.224 -3.516 -14.655 1.00 0.72 C ATOM 0 H LEU A 9 132.652 -7.245 -14.070 1.00 0.36 H new ATOM 0 HA LEU A 9 132.314 -4.635 -13.214 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.600 -6.885 -14.109 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.771 -5.665 -13.163 1.00 0.66 H new ATOM 0 HG LEU A 9 131.452 -4.989 -15.590 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.337 -4.855 -16.847 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.662 -6.509 -16.274 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.463 -5.496 -15.435 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.135 -2.905 -15.553 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.293 -3.468 -14.090 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.041 -3.140 -14.040 1.00 0.72 H new ATOM 140 N GLN A 10 131.125 -6.831 -11.009 1.00 0.42 N ATOM 141 CA GLN A 10 130.775 -7.010 -9.599 1.00 0.49 C ATOM 142 C GLN A 10 132.000 -6.876 -8.689 1.00 0.43 C ATOM 143 O GLN A 10 131.858 -6.614 -7.496 1.00 0.50 O ATOM 144 CB GLN A 10 130.121 -8.380 -9.383 1.00 0.60 C ATOM 145 CG GLN A 10 128.610 -8.372 -9.557 1.00 0.69 C ATOM 146 CD GLN A 10 127.872 -8.121 -8.254 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.563 -6.979 -7.913 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.587 -9.189 -7.515 1.00 0.84 N ATOM 0 H GLN A 10 130.995 -7.665 -11.582 1.00 0.42 H new ATOM 0 HA GLN A 10 130.069 -6.222 -9.336 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.554 -9.094 -10.083 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.360 -8.733 -8.380 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.336 -7.603 -10.279 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.291 -9.328 -9.972 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.861 -10.118 -7.834 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.094 -9.079 -6.629 1.00 0.84 H new ATOM 157 N GLU A 11 133.202 -7.049 -9.251 1.00 0.41 N ATOM 158 CA GLU A 11 134.431 -6.933 -8.469 1.00 0.44 C ATOM 159 C GLU A 11 134.622 -5.499 -7.978 1.00 0.40 C ATOM 160 O GLU A 11 134.853 -5.274 -6.790 1.00 0.56 O ATOM 161 CB GLU A 11 135.646 -7.381 -9.288 1.00 0.52 C ATOM 162 CG GLU A 11 135.945 -8.867 -9.166 1.00 0.63 C ATOM 163 CD GLU A 11 137.132 -9.296 -10.007 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.280 -9.129 -9.542 1.00 1.54 O ATOM 165 OE2 GLU A 11 136.915 -9.800 -11.129 1.00 1.64 O ATOM 0 H GLU A 11 133.346 -7.268 -10.237 1.00 0.41 H new ATOM 0 HA GLU A 11 134.342 -7.589 -7.603 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.477 -7.137 -10.337 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.520 -6.815 -8.966 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.138 -9.110 -8.121 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.066 -9.436 -9.468 1.00 0.63 H new ATOM 172 N LEU A 12 134.530 -4.528 -8.895 1.00 0.34 N ATOM 173 CA LEU A 12 134.695 -3.114 -8.548 1.00 0.34 C ATOM 174 C LEU A 12 133.719 -2.684 -7.446 1.00 0.31 C ATOM 175 O LEU A 12 134.083 -1.902 -6.566 1.00 0.39 O ATOM 176 CB LEU A 12 134.495 -2.239 -9.795 1.00 0.36 C ATOM 177 CG LEU A 12 135.409 -1.010 -9.898 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.067 0.008 -8.821 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.874 -1.417 -9.807 1.00 0.59 C ATOM 0 H LEU A 12 134.342 -4.697 -9.883 1.00 0.34 H new ATOM 0 HA LEU A 12 135.708 -2.981 -8.168 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.648 -2.858 -10.679 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.459 -1.901 -9.817 1.00 0.36 H new ATOM 0 HG LEU A 12 135.244 -0.546 -10.870 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.727 0.871 -8.913 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.032 0.329 -8.939 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.197 -0.445 -7.838 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.503 -0.530 -9.882 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.056 -1.911 -8.853 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.113 -2.101 -10.621 1.00 0.59 H new ATOM 191 N VAL A 13 132.483 -3.203 -7.492 1.00 0.26 N ATOM 192 CA VAL A 13 131.473 -2.865 -6.483 1.00 0.26 C ATOM 193 C VAL A 13 131.844 -3.418 -5.099 1.00 0.22 C ATOM 194 O VAL A 13 131.256 -3.022 -4.090 1.00 0.24 O ATOM 195 CB VAL A 13 130.062 -3.362 -6.890 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.825 -4.804 -6.452 1.00 0.61 C ATOM 197 CG2 VAL A 13 128.992 -2.442 -6.315 1.00 0.53 C ATOM 0 H VAL A 13 132.162 -3.852 -8.211 1.00 0.26 H new ATOM 0 HA VAL A 13 131.449 -1.777 -6.424 1.00 0.26 H new ATOM 0 HB VAL A 13 130.000 -3.337 -7.978 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.826 -5.117 -6.755 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.566 -5.453 -6.920 1.00 0.61 H new ATOM 0 HG13 VAL A 13 129.914 -4.874 -5.368 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.006 -2.803 -6.608 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.066 -2.433 -5.228 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.137 -1.432 -6.697 1.00 0.53 H new ATOM 207 N LYS A 14 132.838 -4.312 -5.054 1.00 0.24 N ATOM 208 CA LYS A 14 133.302 -4.886 -3.794 1.00 0.23 C ATOM 209 C LYS A 14 134.353 -3.974 -3.171 1.00 0.21 C ATOM 210 O LYS A 14 134.310 -3.692 -1.974 1.00 0.28 O ATOM 211 CB LYS A 14 133.888 -6.285 -4.012 1.00 0.30 C ATOM 212 CG LYS A 14 132.856 -7.323 -4.420 1.00 0.84 C ATOM 213 CD LYS A 14 133.461 -8.718 -4.477 1.00 0.68 C ATOM 214 CE LYS A 14 132.833 -9.644 -3.445 1.00 0.73 C ATOM 215 NZ LYS A 14 131.880 -10.608 -4.065 1.00 0.75 N ATOM 0 H LYS A 14 133.334 -4.651 -5.878 1.00 0.24 H new ATOM 0 HA LYS A 14 132.450 -4.974 -3.120 1.00 0.23 H new ATOM 0 HB2 LYS A 14 134.659 -6.231 -4.781 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.376 -6.612 -3.094 1.00 0.30 H new ATOM 0 HG2 LYS A 14 132.028 -7.313 -3.711 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.444 -7.064 -5.395 1.00 0.84 H new ATOM 0 HD2 LYS A 14 133.321 -9.135 -5.474 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.536 -8.656 -4.305 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.618 -10.194 -2.926 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.311 -9.050 -2.695 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 131.475 -11.219 -3.327 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.116 -10.085 -4.539 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 132.383 -11.193 -4.762 1.00 0.75 H new ATOM 229 N HIS A 15 135.290 -3.507 -4.005 1.00 0.25 N ATOM 230 CA HIS A 15 136.353 -2.611 -3.555 1.00 0.27 C ATOM 231 C HIS A 15 135.759 -1.327 -2.981 1.00 0.23 C ATOM 232 O HIS A 15 135.868 -1.072 -1.783 1.00 0.43 O ATOM 233 CB HIS A 15 137.305 -2.279 -4.712 1.00 0.33 C ATOM 234 CG HIS A 15 138.183 -3.422 -5.123 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.552 -3.311 -5.247 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.882 -4.703 -5.445 1.00 0.72 C ATOM 237 CE1 HIS A 15 140.054 -4.472 -5.627 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.062 -5.333 -5.754 1.00 0.72 N ATOM 0 H HIS A 15 135.330 -3.738 -4.998 1.00 0.25 H new ATOM 0 HA HIS A 15 136.919 -3.117 -2.773 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.718 -1.957 -5.572 1.00 0.33 H new ATOM 0 HB3 HIS A 15 137.933 -1.437 -4.422 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.897 -5.146 -5.456 1.00 0.72 H new ATOM 0 HE1 HIS A 15 141.099 -4.681 -5.804 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.157 -6.309 -6.036 1.00 0.72 H new ATOM 247 N LYS A 16 135.153 -0.513 -3.853 1.00 0.21 N ATOM 248 CA LYS A 16 134.551 0.764 -3.457 1.00 0.25 C ATOM 249 C LYS A 16 133.807 0.682 -2.121 1.00 0.32 C ATOM 250 O LYS A 16 134.018 1.524 -1.247 1.00 0.62 O ATOM 251 CB LYS A 16 133.594 1.254 -4.548 1.00 0.37 C ATOM 252 CG LYS A 16 134.245 2.189 -5.556 1.00 0.50 C ATOM 253 CD LYS A 16 133.430 2.288 -6.837 1.00 0.57 C ATOM 254 CE LYS A 16 133.018 3.724 -7.131 1.00 0.59 C ATOM 255 NZ LYS A 16 131.568 3.954 -6.876 1.00 0.66 N ATOM 0 H LYS A 16 135.067 -0.720 -4.848 1.00 0.21 H new ATOM 0 HA LYS A 16 135.370 1.471 -3.328 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.186 0.392 -5.076 1.00 0.37 H new ATOM 0 HB3 LYS A 16 132.754 1.767 -4.079 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.354 3.180 -5.116 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.248 1.832 -5.789 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.014 1.899 -7.671 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.540 1.664 -6.752 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.606 4.403 -6.514 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.245 3.960 -8.171 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.331 4.944 -7.089 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.005 3.325 -7.483 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.355 3.754 -5.878 1.00 0.66 H new ATOM 269 N GLU A 17 132.934 -0.317 -1.962 1.00 0.32 N ATOM 270 CA GLU A 17 132.166 -0.475 -0.724 1.00 0.39 C ATOM 271 C GLU A 17 133.056 -0.895 0.447 1.00 0.32 C ATOM 272 O GLU A 17 132.844 -0.458 1.579 1.00 0.40 O ATOM 273 CB GLU A 17 131.050 -1.505 -0.923 1.00 0.51 C ATOM 274 CG GLU A 17 129.847 -1.285 -0.021 1.00 0.80 C ATOM 275 CD GLU A 17 129.031 -2.547 0.181 1.00 1.08 C ATOM 276 OE1 GLU A 17 128.168 -2.840 -0.674 1.00 1.43 O ATOM 277 OE2 GLU A 17 129.254 -3.243 1.193 1.00 1.47 O ATOM 0 H GLU A 17 132.742 -1.025 -2.671 1.00 0.32 H new ATOM 0 HA GLU A 17 131.730 0.494 -0.482 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.723 -1.477 -1.963 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.451 -2.502 -0.742 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.186 -0.917 0.947 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.212 -0.511 -0.451 1.00 0.80 H new ATOM 284 N LEU A 18 134.056 -1.734 0.168 1.00 0.32 N ATOM 285 CA LEU A 18 134.980 -2.195 1.204 1.00 0.34 C ATOM 286 C LEU A 18 135.796 -1.026 1.747 1.00 0.33 C ATOM 287 O LEU A 18 135.954 -0.881 2.960 1.00 0.66 O ATOM 288 CB LEU A 18 135.915 -3.280 0.659 1.00 0.53 C ATOM 289 CG LEU A 18 135.609 -4.699 1.143 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.380 -5.721 0.321 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.938 -4.842 2.624 1.00 0.79 C ATOM 0 H LEU A 18 134.245 -2.106 -0.763 1.00 0.32 H new ATOM 0 HA LEU A 18 134.392 -2.623 2.016 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.868 -3.266 -0.430 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.939 -3.030 0.937 1.00 0.53 H new ATOM 0 HG LEU A 18 134.543 -4.886 1.010 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.150 -6.724 0.679 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.094 -5.636 -0.727 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.450 -5.536 0.421 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.714 -5.858 2.950 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.996 -4.635 2.783 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.340 -4.136 3.200 1.00 0.79 H new ATOM 303 N LEU A 19 136.296 -0.184 0.839 1.00 0.43 N ATOM 304 CA LEU A 19 137.078 0.988 1.221 1.00 0.44 C ATOM 305 C LEU A 19 136.203 1.994 1.967 1.00 0.30 C ATOM 306 O LEU A 19 136.668 2.660 2.894 1.00 0.45 O ATOM 307 CB LEU A 19 137.693 1.645 -0.021 1.00 0.57 C ATOM 308 CG LEU A 19 139.195 1.929 0.069 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.821 1.942 -1.318 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.448 3.250 0.783 1.00 0.94 C ATOM 0 H LEU A 19 136.171 -0.295 -0.167 1.00 0.43 H new ATOM 0 HA LEU A 19 137.881 0.665 1.883 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.512 1.000 -0.881 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.173 2.584 -0.211 1.00 0.57 H new ATOM 0 HG LEU A 19 139.661 1.132 0.648 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.889 2.145 -1.233 1.00 0.88 H new ATOM 0 HD12 LEU A 19 139.673 0.972 -1.793 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.351 2.718 -1.922 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.521 3.435 0.837 1.00 0.94 H new ATOM 0 HD22 LEU A 19 138.968 4.059 0.232 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.036 3.203 1.791 1.00 0.94 H new ATOM 322 N ARG A 20 134.931 2.091 1.561 1.00 0.32 N ATOM 323 CA ARG A 20 133.990 3.007 2.201 1.00 0.50 C ATOM 324 C ARG A 20 133.788 2.620 3.661 1.00 0.40 C ATOM 325 O ARG A 20 134.074 3.416 4.557 1.00 0.47 O ATOM 326 CB ARG A 20 132.649 3.012 1.460 1.00 0.78 C ATOM 327 CG ARG A 20 132.557 4.077 0.378 1.00 0.89 C ATOM 328 CD ARG A 20 131.112 4.439 0.070 1.00 0.98 C ATOM 329 NE ARG A 20 130.965 5.008 -1.271 1.00 1.06 N ATOM 330 CZ ARG A 20 130.450 6.217 -1.533 1.00 1.17 C ATOM 331 NH1 ARG A 20 130.020 7.007 -0.551 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.366 6.636 -2.791 1.00 1.60 N ATOM 0 H ARG A 20 134.535 1.547 0.795 1.00 0.32 H new ATOM 0 HA ARG A 20 134.407 4.013 2.159 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.489 2.033 1.009 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.846 3.167 2.180 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.096 4.969 0.698 1.00 0.89 H new ATOM 0 HG3 ARG A 20 133.044 3.718 -0.529 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.489 3.549 0.157 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.752 5.154 0.809 1.00 0.98 H new ATOM 0 HE ARG A 20 131.277 4.444 -2.062 1.00 1.06 H new ATOM 0 HH11 ARG A 20 130.080 6.695 0.418 1.00 1.74 H new ATOM 0 HH12 ARG A 20 129.631 7.924 -0.768 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.692 6.038 -3.550 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.975 7.555 -2.997 1.00 1.60 H new ATOM 346 N ARG A 21 133.296 1.397 3.906 1.00 0.36 N ATOM 347 CA ARG A 21 133.063 0.911 5.266 1.00 0.37 C ATOM 348 C ARG A 21 134.289 1.119 6.153 1.00 0.35 C ATOM 349 O ARG A 21 134.152 1.500 7.313 1.00 0.49 O ATOM 350 CB ARG A 21 132.691 -0.575 5.232 1.00 0.47 C ATOM 351 CG ARG A 21 131.796 -1.014 6.379 1.00 0.71 C ATOM 352 CD ARG A 21 131.582 -2.521 6.371 1.00 0.94 C ATOM 353 NE ARG A 21 130.399 -2.918 7.136 1.00 0.95 N ATOM 354 CZ ARG A 21 130.155 -4.168 7.538 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.007 -5.150 7.252 1.00 2.03 N ATOM 356 NH2 ARG A 21 129.052 -4.438 8.228 1.00 1.50 N ATOM 0 H ARG A 21 133.053 0.728 3.176 1.00 0.36 H new ATOM 0 HA ARG A 21 132.240 1.485 5.691 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.189 -0.792 4.289 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.605 -1.168 5.250 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.243 -0.713 7.327 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.833 -0.508 6.306 1.00 0.71 H new ATOM 0 HD2 ARG A 21 131.479 -2.866 5.342 1.00 0.94 H new ATOM 0 HD3 ARG A 21 132.462 -3.013 6.785 1.00 0.94 H new ATOM 0 HE ARG A 21 129.720 -2.196 7.377 1.00 0.95 H new ATOM 0 HH11 ARG A 21 131.855 -4.951 6.721 1.00 2.03 H new ATOM 0 HH12 ARG A 21 130.812 -6.101 7.563 1.00 2.03 H new ATOM 0 HH21 ARG A 21 128.394 -3.691 8.450 1.00 1.50 H new ATOM 0 HH22 ARG A 21 128.864 -5.392 8.536 1.00 1.50 H new ATOM 370 N LYS A 22 135.485 0.867 5.600 1.00 0.33 N ATOM 371 CA LYS A 22 136.736 1.037 6.347 1.00 0.41 C ATOM 372 C LYS A 22 136.711 2.343 7.140 1.00 0.34 C ATOM 373 O LYS A 22 137.058 2.370 8.322 1.00 0.36 O ATOM 374 CB LYS A 22 137.938 1.018 5.398 1.00 0.56 C ATOM 375 CG LYS A 22 139.162 0.332 5.984 1.00 0.77 C ATOM 376 CD LYS A 22 140.102 -0.164 4.895 1.00 0.95 C ATOM 377 CE LYS A 22 141.296 0.764 4.719 1.00 0.76 C ATOM 378 NZ LYS A 22 142.492 0.288 5.470 1.00 0.71 N ATOM 0 H LYS A 22 135.610 0.546 4.640 1.00 0.33 H new ATOM 0 HA LYS A 22 136.833 0.206 7.045 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.654 0.512 4.475 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.198 2.043 5.133 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.693 1.027 6.635 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.847 -0.508 6.604 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.453 -1.165 5.145 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.559 -0.242 3.953 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.541 0.842 3.660 1.00 0.76 H new ATOM 0 HE3 LYS A 22 141.030 1.765 5.059 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.281 0.949 5.322 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.268 0.238 6.484 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.763 -0.656 5.129 1.00 0.71 H new ATOM 392 N ASP A 23 136.273 3.419 6.482 1.00 0.34 N ATOM 393 CA ASP A 23 136.167 4.726 7.121 1.00 0.32 C ATOM 394 C ASP A 23 135.030 4.711 8.139 1.00 0.29 C ATOM 395 O ASP A 23 135.241 4.970 9.322 1.00 0.34 O ATOM 396 CB ASP A 23 135.926 5.813 6.067 1.00 0.37 C ATOM 397 CG ASP A 23 137.195 6.559 5.704 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.916 6.096 4.795 1.00 1.17 O ATOM 399 OD2 ASP A 23 137.469 7.603 6.331 1.00 1.15 O ATOM 0 H ASP A 23 135.986 3.407 5.503 1.00 0.34 H new ATOM 0 HA ASP A 23 137.101 4.948 7.637 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.506 5.358 5.170 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.187 6.521 6.442 1.00 0.37 H new ATOM 404 N THR A 24 133.822 4.409 7.657 1.00 0.27 N ATOM 405 CA THR A 24 132.628 4.350 8.506 1.00 0.28 C ATOM 406 C THR A 24 132.901 3.601 9.818 1.00 0.27 C ATOM 407 O THR A 24 132.400 3.991 10.874 1.00 0.32 O ATOM 408 CB THR A 24 131.477 3.679 7.748 1.00 0.31 C ATOM 409 OG1 THR A 24 131.103 4.452 6.620 1.00 0.52 O ATOM 410 CG2 THR A 24 130.237 3.469 8.592 1.00 0.53 C ATOM 0 H THR A 24 133.644 4.200 6.675 1.00 0.27 H new ATOM 0 HA THR A 24 132.349 5.373 8.759 1.00 0.28 H new ATOM 0 HB THR A 24 131.860 2.703 7.452 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.368 4.007 6.148 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.464 2.990 7.991 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.480 2.834 9.444 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.873 4.432 8.950 1.00 0.53 H new ATOM 418 N HIS A 25 133.690 2.524 9.745 1.00 0.27 N ATOM 419 CA HIS A 25 134.022 1.724 10.926 1.00 0.31 C ATOM 420 C HIS A 25 134.924 2.499 11.885 1.00 0.33 C ATOM 421 O HIS A 25 134.641 2.577 13.081 1.00 0.43 O ATOM 422 CB HIS A 25 134.697 0.414 10.512 1.00 0.37 C ATOM 423 CG HIS A 25 134.241 -0.769 11.306 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.637 -1.001 12.607 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.412 -1.790 10.980 1.00 0.92 C ATOM 426 CE1 HIS A 25 134.074 -2.113 13.045 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.326 -2.610 12.077 1.00 0.75 N ATOM 0 H HIS A 25 134.110 2.187 8.879 1.00 0.27 H new ATOM 0 HA HIS A 25 133.091 1.495 11.445 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.500 0.231 9.456 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.776 0.520 10.621 1.00 0.37 H new ATOM 0 HD2 HIS A 25 132.912 -1.932 10.033 1.00 0.92 H new ATOM 0 HE1 HIS A 25 134.203 -2.542 14.027 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.773 -3.465 12.135 1.00 0.75 H new ATOM 436 N ILE A 26 136.002 3.085 11.357 1.00 0.31 N ATOM 437 CA ILE A 26 136.920 3.870 12.183 1.00 0.35 C ATOM 438 C ILE A 26 136.242 5.155 12.677 1.00 0.34 C ATOM 439 O ILE A 26 136.709 5.787 13.626 1.00 0.46 O ATOM 440 CB ILE A 26 138.226 4.224 11.431 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.934 5.089 10.200 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.966 2.953 11.029 1.00 0.56 C ATOM 443 CD1 ILE A 26 139.126 5.894 9.727 1.00 0.68 C ATOM 0 H ILE A 26 136.258 3.031 10.371 1.00 0.31 H new ATOM 0 HA ILE A 26 137.185 3.248 13.038 1.00 0.35 H new ATOM 0 HB ILE A 26 138.861 4.800 12.104 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.595 4.447 9.387 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.115 5.770 10.431 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.882 3.217 10.501 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.214 2.379 11.922 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.331 2.353 10.377 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.845 6.481 8.853 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.453 6.562 10.524 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.940 5.218 9.464 1.00 0.68 H new ATOM 455 N ARG A 27 135.128 5.524 12.031 1.00 0.29 N ATOM 456 CA ARG A 27 134.368 6.713 12.401 1.00 0.35 C ATOM 457 C ARG A 27 133.353 6.383 13.499 1.00 0.34 C ATOM 458 O ARG A 27 133.138 7.183 14.411 1.00 0.39 O ATOM 459 CB ARG A 27 133.652 7.282 11.173 1.00 0.44 C ATOM 460 CG ARG A 27 133.014 8.641 11.411 1.00 0.52 C ATOM 461 CD ARG A 27 131.687 8.767 10.677 1.00 0.81 C ATOM 462 NE ARG A 27 130.939 9.954 11.092 1.00 0.91 N ATOM 463 CZ ARG A 27 129.978 10.526 10.361 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.636 10.021 9.178 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.355 11.608 10.816 1.00 1.68 N ATOM 0 H ARG A 27 134.735 5.008 11.244 1.00 0.29 H new ATOM 0 HA ARG A 27 135.061 7.462 12.786 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.366 7.364 10.353 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.881 6.580 10.855 1.00 0.44 H new ATOM 0 HG2 ARG A 27 132.856 8.789 12.479 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.692 9.427 11.078 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.870 8.811 9.603 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.085 7.877 10.861 1.00 0.81 H new ATOM 0 HE ARG A 27 131.165 10.371 11.995 1.00 0.91 H new ATOM 0 HH11 ARG A 27 130.109 9.190 8.822 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.901 10.465 8.627 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.611 12.001 11.722 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.621 12.046 10.259 1.00 1.68 H new ATOM 479 N GLU A 28 132.740 5.195 13.415 1.00 0.33 N ATOM 480 CA GLU A 28 131.763 4.766 14.416 1.00 0.38 C ATOM 481 C GLU A 28 132.456 4.493 15.749 1.00 0.37 C ATOM 482 O GLU A 28 131.960 4.890 16.806 1.00 0.47 O ATOM 483 CB GLU A 28 130.987 3.527 13.941 1.00 0.48 C ATOM 484 CG GLU A 28 131.848 2.288 13.739 1.00 0.81 C ATOM 485 CD GLU A 28 131.029 1.020 13.595 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.516 0.524 14.621 1.00 1.85 O ATOM 487 OE2 GLU A 28 130.904 0.520 12.457 1.00 1.66 O ATOM 0 H GLU A 28 132.904 4.520 12.668 1.00 0.33 H new ATOM 0 HA GLU A 28 131.044 5.573 14.556 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.208 3.299 14.669 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.486 3.764 13.002 1.00 0.48 H new ATOM 0 HG2 GLU A 28 132.464 2.420 12.849 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.528 2.182 14.584 1.00 0.81 H new ATOM 494 N LEU A 29 133.614 3.825 15.692 1.00 0.34 N ATOM 495 CA LEU A 29 134.387 3.515 16.894 1.00 0.38 C ATOM 496 C LEU A 29 134.949 4.790 17.534 1.00 0.42 C ATOM 497 O LEU A 29 135.375 4.775 18.689 1.00 0.80 O ATOM 498 CB LEU A 29 135.529 2.549 16.560 1.00 0.48 C ATOM 499 CG LEU A 29 135.300 1.101 16.999 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.596 0.312 15.903 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.620 0.442 17.372 1.00 0.58 C ATOM 0 H LEU A 29 134.034 3.490 14.825 1.00 0.34 H new ATOM 0 HA LEU A 29 133.716 3.040 17.610 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.695 2.564 15.483 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.443 2.915 17.028 1.00 0.48 H new ATOM 0 HG LEU A 29 134.658 1.107 17.880 1.00 0.49 H new ATOM 0 HD11 LEU A 29 134.443 -0.715 16.235 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.631 0.771 15.686 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.209 0.314 15.002 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.438 -0.587 17.682 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.287 0.449 16.510 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.082 0.991 18.192 1.00 0.58 H new ATOM 513 N GLU A 30 134.924 5.899 16.783 1.00 0.42 N ATOM 514 CA GLU A 30 135.407 7.182 17.289 1.00 0.46 C ATOM 515 C GLU A 30 134.433 7.740 18.328 1.00 0.46 C ATOM 516 O GLU A 30 134.841 8.436 19.259 1.00 0.61 O ATOM 517 CB GLU A 30 135.593 8.181 16.142 1.00 0.51 C ATOM 518 CG GLU A 30 137.046 8.381 15.741 1.00 0.57 C ATOM 519 CD GLU A 30 137.744 9.435 16.581 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.145 9.118 17.721 1.00 1.33 O ATOM 521 OE2 GLU A 30 137.889 10.578 16.098 1.00 1.24 O ATOM 0 H GLU A 30 134.574 5.929 15.825 1.00 0.42 H new ATOM 0 HA GLU A 30 136.375 7.023 17.764 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.029 7.836 15.275 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.170 9.142 16.435 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.579 7.435 15.836 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.093 8.669 14.691 1.00 0.57 H new ATOM 528 N ASP A 31 133.147 7.401 18.176 1.00 0.43 N ATOM 529 CA ASP A 31 132.113 7.837 19.112 1.00 0.58 C ATOM 530 C ASP A 31 132.051 6.894 20.316 1.00 0.59 C ATOM 531 O ASP A 31 131.682 7.304 21.419 1.00 0.78 O ATOM 532 CB ASP A 31 130.748 7.890 18.420 1.00 0.71 C ATOM 533 CG ASP A 31 130.195 9.299 18.345 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.550 9.736 19.321 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.409 9.966 17.311 1.00 1.73 O ATOM 0 H ASP A 31 132.801 6.824 17.410 1.00 0.43 H new ATOM 0 HA ASP A 31 132.368 8.838 19.460 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.838 7.483 17.413 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.045 7.255 18.959 1.00 0.71 H new ATOM 540 N TYR A 32 132.438 5.632 20.095 1.00 0.51 N ATOM 541 CA TYR A 32 132.452 4.630 21.159 1.00 0.56 C ATOM 542 C TYR A 32 133.580 4.933 22.142 1.00 0.55 C ATOM 543 O TYR A 32 133.395 4.856 23.358 1.00 0.64 O ATOM 544 CB TYR A 32 132.621 3.223 20.574 1.00 0.61 C ATOM 545 CG TYR A 32 131.310 2.516 20.304 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.351 2.384 21.301 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.032 1.981 19.052 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.153 1.739 21.059 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.836 1.335 18.802 1.00 1.19 C ATOM 550 CZ TYR A 32 128.901 1.217 19.808 1.00 1.23 C ATOM 551 OH TYR A 32 127.710 0.572 19.564 1.00 1.55 O ATOM 0 H TYR A 32 132.745 5.284 19.187 1.00 0.51 H new ATOM 0 HA TYR A 32 131.499 4.668 21.687 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.185 3.291 19.644 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.213 2.621 21.263 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.545 2.792 22.282 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.762 2.071 18.262 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.419 1.644 21.845 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.635 0.925 17.823 1.00 1.19 H new ATOM 0 HH TYR A 32 127.689 0.264 18.634 1.00 1.55 H new ATOM 561 N ILE A 33 134.743 5.306 21.600 1.00 0.53 N ATOM 562 CA ILE A 33 135.902 5.655 22.418 1.00 0.62 C ATOM 563 C ILE A 33 135.783 7.089 22.953 1.00 0.58 C ATOM 564 O ILE A 33 136.528 7.487 23.852 1.00 0.77 O ATOM 565 CB ILE A 33 137.223 5.505 21.623 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.329 4.098 21.023 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.424 5.792 22.516 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.238 4.021 19.814 1.00 0.85 C ATOM 0 H ILE A 33 134.904 5.373 20.595 1.00 0.53 H new ATOM 0 HA ILE A 33 135.923 4.961 23.258 1.00 0.62 H new ATOM 0 HB ILE A 33 137.218 6.231 20.810 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.696 3.413 21.787 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.333 3.757 20.741 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.342 5.681 21.938 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.357 6.810 22.899 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.433 5.090 23.350 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.264 2.996 19.443 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.860 4.680 19.032 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.244 4.331 20.095 1.00 0.85 H new ATOM 580 N ASP A 34 134.829 7.858 22.409 1.00 0.49 N ATOM 581 CA ASP A 34 134.603 9.235 22.848 1.00 0.54 C ATOM 582 C ASP A 34 134.025 9.263 24.263 1.00 0.44 C ATOM 583 O ASP A 34 134.248 10.210 25.005 1.00 0.47 O ATOM 584 CB ASP A 34 133.661 9.964 21.883 1.00 0.75 C ATOM 585 CG ASP A 34 134.282 11.226 21.312 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.478 12.192 22.079 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.572 11.248 20.097 1.00 1.49 O ATOM 0 H ASP A 34 134.204 7.547 21.665 1.00 0.49 H new ATOM 0 HA ASP A 34 135.565 9.748 22.853 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.391 9.294 21.067 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.738 10.220 22.404 1.00 0.75 H new ATOM 592 N ASN A 35 133.292 8.207 24.630 1.00 0.53 N ATOM 593 CA ASN A 35 132.690 8.094 25.961 1.00 0.57 C ATOM 594 C ASN A 35 133.706 8.446 27.049 1.00 0.47 C ATOM 595 O ASN A 35 133.358 9.068 28.054 1.00 0.58 O ATOM 596 CB ASN A 35 132.151 6.679 26.189 1.00 0.74 C ATOM 597 CG ASN A 35 130.763 6.485 25.604 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.758 6.692 26.284 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.700 6.088 24.336 1.00 1.32 N ATOM 0 H ASN A 35 133.101 7.413 24.018 1.00 0.53 H new ATOM 0 HA ASN A 35 131.862 8.801 26.016 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.834 5.957 25.742 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.123 6.472 27.259 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.793 5.944 23.891 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.558 5.928 23.808 1.00 1.32 H new ATOM 606 N LEU A 36 134.966 8.063 26.826 1.00 0.42 N ATOM 607 CA LEU A 36 136.041 8.356 27.771 1.00 0.47 C ATOM 608 C LEU A 36 136.316 9.859 27.805 1.00 0.42 C ATOM 609 O LEU A 36 136.455 10.449 28.879 1.00 0.53 O ATOM 610 CB LEU A 36 137.323 7.599 27.393 1.00 0.66 C ATOM 611 CG LEU A 36 137.126 6.146 26.945 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.434 5.573 26.420 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.589 5.297 28.089 1.00 1.66 C ATOM 0 H LEU A 36 135.265 7.549 25.997 1.00 0.42 H new ATOM 0 HA LEU A 36 135.724 8.026 28.760 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.822 8.143 26.591 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.995 7.608 28.251 1.00 0.66 H new ATOM 0 HG LEU A 36 136.393 6.131 26.139 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.279 4.541 26.106 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.775 6.164 25.570 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.187 5.603 27.208 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.457 4.270 27.749 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.295 5.316 28.919 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.630 5.696 28.419 1.00 1.66 H new ATOM 625 N LEU A 37 136.379 10.473 26.618 1.00 0.36 N ATOM 626 CA LEU A 37 136.622 11.909 26.499 1.00 0.40 C ATOM 627 C LEU A 37 135.450 12.608 25.796 1.00 0.32 C ATOM 628 O LEU A 37 135.619 13.244 24.752 1.00 0.42 O ATOM 629 CB LEU A 37 137.934 12.164 25.745 1.00 0.56 C ATOM 630 CG LEU A 37 138.052 11.466 24.385 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.701 12.388 23.362 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.841 10.169 24.516 1.00 0.63 C ATOM 0 H LEU A 37 136.264 9.993 25.725 1.00 0.36 H new ATOM 0 HA LEU A 37 136.708 12.326 27.502 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.045 13.238 25.595 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.764 11.842 26.374 1.00 0.56 H new ATOM 0 HG LEU A 37 137.048 11.223 24.036 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.775 11.873 22.404 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.095 13.286 23.245 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.698 12.665 23.703 1.00 0.73 H new ATOM 0 HD21 LEU A 37 138.914 9.688 23.541 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.842 10.388 24.889 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.332 9.502 25.212 1.00 0.63 H new ATOM 644 N VAL A 38 134.261 12.475 26.396 1.00 0.29 N ATOM 645 CA VAL A 38 133.027 13.080 25.881 1.00 0.41 C ATOM 646 C VAL A 38 131.980 13.160 27.001 1.00 0.38 C ATOM 647 O VAL A 38 132.252 12.754 28.134 1.00 0.61 O ATOM 648 CB VAL A 38 132.458 12.303 24.664 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.489 11.210 25.099 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.791 13.258 23.682 1.00 0.99 C ATOM 0 H VAL A 38 134.127 11.943 27.256 1.00 0.29 H new ATOM 0 HA VAL A 38 133.270 14.085 25.535 1.00 0.41 H new ATOM 0 HB VAL A 38 133.294 11.818 24.161 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.111 10.688 24.220 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.006 10.502 25.747 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.656 11.657 25.641 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.398 12.694 22.836 1.00 0.99 H new ATOM 0 HG22 VAL A 38 130.974 13.780 24.180 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.522 13.984 23.326 1.00 0.99 H new ATOM 660 N ARG A 39 130.783 13.663 26.690 1.00 0.44 N ATOM 661 CA ARG A 39 129.720 13.762 27.688 1.00 0.47 C ATOM 662 C ARG A 39 129.097 12.389 27.942 1.00 0.53 C ATOM 663 O ARG A 39 128.440 11.824 27.065 1.00 0.86 O ATOM 664 CB ARG A 39 128.644 14.755 27.232 1.00 0.59 C ATOM 665 CG ARG A 39 127.395 14.755 28.105 1.00 0.75 C ATOM 666 CD ARG A 39 127.270 16.040 28.910 1.00 0.97 C ATOM 667 NE ARG A 39 126.284 16.957 28.336 1.00 0.93 N ATOM 668 CZ ARG A 39 126.244 18.268 28.590 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.129 18.826 29.411 1.00 1.27 N ATOM 670 NH2 ARG A 39 125.311 19.023 28.019 1.00 1.48 N ATOM 0 H ARG A 39 130.529 14.005 25.763 1.00 0.44 H new ATOM 0 HA ARG A 39 130.156 14.126 28.618 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.070 15.758 27.223 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.359 14.521 26.206 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.512 14.632 27.477 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.425 13.902 28.783 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.987 15.799 29.935 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.240 16.534 28.956 1.00 0.97 H new ATOM 0 HE ARG A 39 125.584 16.571 27.703 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.847 18.252 29.853 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.090 19.828 29.598 1.00 1.27 H new ATOM 0 HH21 ARG A 39 124.629 18.601 27.389 1.00 1.48 H new ATOM 0 HH22 ARG A 39 125.277 20.024 28.211 1.00 1.48 H new ATOM 684 N VAL A 40 129.309 11.859 29.147 1.00 0.46 N ATOM 685 CA VAL A 40 128.766 10.551 29.517 1.00 0.53 C ATOM 686 C VAL A 40 127.356 10.681 30.089 1.00 0.53 C ATOM 687 O VAL A 40 127.099 11.528 30.948 1.00 0.66 O ATOM 688 CB VAL A 40 129.664 9.816 30.540 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.915 9.276 29.864 1.00 0.71 C ATOM 690 CG2 VAL A 40 130.031 10.727 31.707 1.00 0.78 C ATOM 0 H VAL A 40 129.851 12.313 29.882 1.00 0.46 H new ATOM 0 HA VAL A 40 128.733 9.962 28.601 1.00 0.53 H new ATOM 0 HB VAL A 40 129.098 8.975 30.940 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.534 8.763 30.600 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.631 8.577 29.078 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.479 10.101 29.429 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.662 10.182 32.409 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.571 11.597 31.333 1.00 0.78 H new ATOM 0 HG23 VAL A 40 129.123 11.053 32.214 1.00 0.78 H new ATOM 700 N MET A 41 126.445 9.835 29.606 1.00 0.53 N ATOM 701 CA MET A 41 125.057 9.849 30.065 1.00 0.60 C ATOM 702 C MET A 41 124.768 8.653 30.967 1.00 0.86 C ATOM 703 O MET A 41 124.211 8.803 32.055 1.00 1.20 O ATOM 704 CB MET A 41 124.095 9.851 28.870 1.00 0.75 C ATOM 705 CG MET A 41 124.289 8.678 27.919 1.00 0.56 C ATOM 706 SD MET A 41 122.797 8.288 26.982 1.00 0.67 S ATOM 707 CE MET A 41 122.806 9.602 25.765 1.00 0.54 C ATOM 0 H MET A 41 126.645 9.131 28.896 1.00 0.53 H new ATOM 0 HA MET A 41 124.904 10.761 30.642 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.070 9.839 29.241 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.222 10.781 28.315 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.099 8.907 27.226 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.595 7.801 28.488 1.00 0.56 H new ATOM 0 HE1 MET A 41 121.941 9.497 25.110 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.763 10.567 26.271 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.719 9.543 25.173 1.00 0.54 H new ATOM 718 N GLY B 1 134.992 4.378 -27.736 1.00 0.61 N ATOM 719 CA GLY B 1 136.405 3.998 -28.021 1.00 0.61 C ATOM 720 C GLY B 1 136.838 2.750 -27.275 1.00 0.52 C ATOM 721 O GLY B 1 136.616 1.632 -27.744 1.00 0.60 O ATOM 0 H1 GLY B 1 134.749 5.236 -28.271 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.360 3.602 -28.020 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.880 4.561 -26.718 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.524 3.836 -29.092 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.061 4.825 -27.749 1.00 0.61 H new ATOM 727 N SER B 2 137.454 2.943 -26.108 1.00 0.50 N ATOM 728 CA SER B 2 137.920 1.827 -25.285 1.00 0.49 C ATOM 729 C SER B 2 137.163 1.755 -23.959 1.00 0.47 C ATOM 730 O SER B 2 137.667 1.197 -22.982 1.00 0.63 O ATOM 731 CB SER B 2 139.426 1.951 -25.032 1.00 0.55 C ATOM 732 OG SER B 2 140.169 1.586 -26.182 1.00 0.67 O ATOM 0 H SER B 2 137.642 3.864 -25.711 1.00 0.50 H new ATOM 0 HA SER B 2 137.724 0.904 -25.830 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.667 2.976 -24.750 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.711 1.314 -24.194 1.00 0.55 H new ATOM 0 HG SER B 2 141.127 1.676 -25.995 1.00 0.67 H new ATOM 738 N LEU B 3 135.938 2.289 -23.937 1.00 0.48 N ATOM 739 CA LEU B 3 135.108 2.247 -22.738 1.00 0.55 C ATOM 740 C LEU B 3 134.370 0.911 -22.695 1.00 0.65 C ATOM 741 O LEU B 3 133.140 0.852 -22.739 1.00 1.02 O ATOM 742 CB LEU B 3 134.124 3.423 -22.717 1.00 0.62 C ATOM 743 CG LEU B 3 134.609 4.657 -21.950 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.597 5.455 -22.790 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.430 5.526 -21.534 1.00 0.76 C ATOM 0 H LEU B 3 135.504 2.753 -24.735 1.00 0.48 H new ATOM 0 HA LEU B 3 135.739 2.337 -21.853 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.907 3.714 -23.745 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.186 3.085 -22.276 1.00 0.62 H new ATOM 0 HG LEU B 3 135.121 4.322 -21.048 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.930 6.328 -22.228 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.456 4.830 -23.033 1.00 0.61 H new ATOM 0 HD13 LEU B 3 135.113 5.779 -23.711 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.794 6.398 -20.990 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.888 5.852 -22.421 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.763 4.951 -20.892 1.00 0.76 H new ATOM 757 N THR B 4 135.155 -0.162 -22.629 1.00 0.46 N ATOM 758 CA THR B 4 134.639 -1.521 -22.603 1.00 0.55 C ATOM 759 C THR B 4 135.498 -2.381 -21.671 1.00 0.42 C ATOM 760 O THR B 4 136.159 -1.851 -20.780 1.00 0.43 O ATOM 761 CB THR B 4 134.620 -2.094 -24.028 1.00 0.72 C ATOM 762 OG1 THR B 4 135.860 -1.872 -24.680 1.00 0.70 O ATOM 763 CG2 THR B 4 133.535 -1.493 -24.897 1.00 0.90 C ATOM 0 H THR B 4 136.173 -0.108 -22.592 1.00 0.46 H new ATOM 0 HA THR B 4 133.618 -1.521 -22.222 1.00 0.55 H new ATOM 0 HB THR B 4 134.424 -3.159 -23.906 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.825 -2.247 -25.585 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.575 -1.940 -25.890 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.560 -1.689 -24.450 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.687 -0.417 -24.977 1.00 0.90 H new ATOM 771 N TYR B 5 135.456 -3.702 -21.847 1.00 0.50 N ATOM 772 CA TYR B 5 136.207 -4.641 -21.001 1.00 0.45 C ATOM 773 C TYR B 5 137.630 -4.173 -20.664 1.00 0.41 C ATOM 774 O TYR B 5 138.082 -4.362 -19.534 1.00 0.46 O ATOM 775 CB TYR B 5 136.266 -6.014 -21.675 1.00 0.57 C ATOM 776 CG TYR B 5 136.742 -7.127 -20.763 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.225 -7.274 -19.480 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.709 -8.031 -21.187 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.659 -8.288 -18.648 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.147 -9.048 -20.359 1.00 0.92 C ATOM 781 CZ TYR B 5 137.619 -9.172 -19.092 1.00 0.67 C ATOM 782 OH TYR B 5 138.052 -10.184 -18.265 1.00 0.84 O ATOM 0 H TYR B 5 134.904 -4.154 -22.576 1.00 0.50 H new ATOM 0 HA TYR B 5 135.667 -4.696 -20.056 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.275 -6.266 -22.052 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.930 -5.956 -22.538 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.472 -6.584 -19.129 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.125 -7.937 -22.179 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.248 -8.388 -17.654 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.899 -9.742 -20.703 1.00 0.92 H new ATOM 0 HH TYR B 5 138.729 -10.719 -18.730 1.00 0.84 H new ATOM 792 N GLU B 6 138.344 -3.575 -21.626 1.00 0.49 N ATOM 793 CA GLU B 6 139.715 -3.111 -21.378 1.00 0.50 C ATOM 794 C GLU B 6 139.751 -1.857 -20.498 1.00 0.38 C ATOM 795 O GLU B 6 140.792 -1.530 -19.925 1.00 0.44 O ATOM 796 CB GLU B 6 140.429 -2.830 -22.703 1.00 0.62 C ATOM 797 CG GLU B 6 141.142 -4.043 -23.280 1.00 0.68 C ATOM 798 CD GLU B 6 141.733 -3.776 -24.652 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.864 -3.252 -24.719 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.064 -4.092 -25.659 1.00 1.14 O ATOM 0 H GLU B 6 138.001 -3.403 -22.571 1.00 0.49 H new ATOM 0 HA GLU B 6 140.231 -3.908 -20.843 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.701 -2.468 -23.429 1.00 0.62 H new ATOM 0 HB3 GLU B 6 141.154 -2.030 -22.553 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.937 -4.350 -22.600 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.440 -4.874 -23.346 1.00 0.68 H new ATOM 807 N GLU B 7 138.614 -1.169 -20.378 1.00 0.32 N ATOM 808 CA GLU B 7 138.526 0.033 -19.552 1.00 0.29 C ATOM 809 C GLU B 7 138.436 -0.339 -18.075 1.00 0.27 C ATOM 810 O GLU B 7 139.144 0.227 -17.240 1.00 0.43 O ATOM 811 CB GLU B 7 137.314 0.878 -19.951 1.00 0.43 C ATOM 812 CG GLU B 7 137.572 2.376 -19.896 1.00 0.57 C ATOM 813 CD GLU B 7 137.180 2.988 -18.564 1.00 0.72 C ATOM 814 OE1 GLU B 7 138.035 3.029 -17.654 1.00 0.80 O ATOM 815 OE2 GLU B 7 136.018 3.426 -18.431 1.00 1.00 O ATOM 0 H GLU B 7 137.743 -1.425 -20.843 1.00 0.32 H new ATOM 0 HA GLU B 7 139.430 0.621 -19.714 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.009 0.607 -20.962 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.480 0.637 -19.292 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.629 2.566 -20.082 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.015 2.866 -20.695 1.00 0.57 H new ATOM 822 N VAL B 8 137.570 -1.305 -17.762 1.00 0.35 N ATOM 823 CA VAL B 8 137.396 -1.767 -16.389 1.00 0.37 C ATOM 824 C VAL B 8 138.597 -2.605 -15.946 1.00 0.28 C ATOM 825 O VAL B 8 138.986 -2.572 -14.778 1.00 0.40 O ATOM 826 CB VAL B 8 136.088 -2.578 -16.228 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.180 -3.922 -16.938 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.746 -2.762 -14.756 1.00 0.78 C ATOM 0 H VAL B 8 136.979 -1.781 -18.444 1.00 0.35 H new ATOM 0 HA VAL B 8 137.327 -0.886 -15.751 1.00 0.37 H new ATOM 0 HB VAL B 8 135.283 -2.012 -16.697 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.246 -4.468 -16.806 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.359 -3.760 -18.001 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.001 -4.501 -16.516 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.823 -3.335 -14.666 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.555 -3.297 -14.259 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.615 -1.786 -14.288 1.00 0.78 H new ATOM 838 N LEU B 9 139.182 -3.352 -16.890 1.00 0.35 N ATOM 839 CA LEU B 9 140.344 -4.190 -16.602 1.00 0.49 C ATOM 840 C LEU B 9 141.449 -3.366 -15.939 1.00 0.52 C ATOM 841 O LEU B 9 141.882 -3.680 -14.828 1.00 0.74 O ATOM 842 CB LEU B 9 140.873 -4.833 -17.889 1.00 0.65 C ATOM 843 CG LEU B 9 140.414 -6.273 -18.134 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.698 -6.685 -19.572 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.093 -7.224 -17.157 1.00 0.76 C ATOM 0 H LEU B 9 138.867 -3.391 -17.859 1.00 0.35 H new ATOM 0 HA LEU B 9 140.034 -4.978 -15.916 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.563 -4.221 -18.736 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.963 -4.815 -17.864 1.00 0.65 H new ATOM 0 HG LEU B 9 139.338 -6.326 -17.969 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.366 -7.711 -19.729 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.164 -6.022 -20.253 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.769 -6.617 -19.765 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.755 -8.243 -17.346 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.174 -7.170 -17.289 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.837 -6.940 -16.136 1.00 0.76 H new ATOM 857 N GLN B 10 141.895 -2.308 -16.625 1.00 0.41 N ATOM 858 CA GLN B 10 142.944 -1.432 -16.101 1.00 0.48 C ATOM 859 C GLN B 10 142.485 -0.685 -14.845 1.00 0.42 C ATOM 860 O GLN B 10 143.314 -0.223 -14.062 1.00 0.48 O ATOM 861 CB GLN B 10 143.379 -0.423 -17.170 1.00 0.58 C ATOM 862 CG GLN B 10 144.508 -0.923 -18.059 1.00 0.66 C ATOM 863 CD GLN B 10 145.880 -0.541 -17.532 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.503 -1.298 -16.787 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.359 0.638 -17.917 1.00 0.83 N ATOM 0 H GLN B 10 141.545 -2.039 -17.544 1.00 0.41 H new ATOM 0 HA GLN B 10 143.790 -2.064 -15.829 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.520 -0.175 -17.794 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.695 0.498 -16.680 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.445 -2.008 -18.144 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.382 -0.517 -19.063 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.809 1.234 -18.535 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.276 0.946 -17.594 1.00 0.83 H new ATOM 874 N GLU B 11 141.166 -0.572 -14.647 1.00 0.40 N ATOM 875 CA GLU B 11 140.629 0.115 -13.475 1.00 0.42 C ATOM 876 C GLU B 11 140.975 -0.647 -12.196 1.00 0.37 C ATOM 877 O GLU B 11 141.492 -0.063 -11.245 1.00 0.54 O ATOM 878 CB GLU B 11 139.111 0.293 -13.592 1.00 0.48 C ATOM 879 CG GLU B 11 138.702 1.582 -14.288 1.00 0.62 C ATOM 880 CD GLU B 11 137.198 1.724 -14.419 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.556 2.166 -13.443 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.662 1.396 -15.499 1.00 1.61 O ATOM 0 H GLU B 11 140.459 -0.946 -15.280 1.00 0.40 H new ATOM 0 HA GLU B 11 141.088 1.102 -13.427 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.695 -0.553 -14.139 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.673 0.274 -12.594 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.096 2.432 -13.731 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.154 1.614 -15.279 1.00 0.62 H new ATOM 889 N LEU B 12 140.687 -1.954 -12.176 1.00 0.32 N ATOM 890 CA LEU B 12 140.973 -2.794 -11.009 1.00 0.30 C ATOM 891 C LEU B 12 142.453 -2.728 -10.614 1.00 0.28 C ATOM 892 O LEU B 12 142.777 -2.719 -9.425 1.00 0.36 O ATOM 893 CB LEU B 12 140.570 -4.248 -11.295 1.00 0.32 C ATOM 894 CG LEU B 12 139.966 -5.015 -10.111 1.00 0.38 C ATOM 895 CD1 LEU B 12 141.011 -5.253 -9.032 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.765 -4.271 -9.542 1.00 0.54 C ATOM 0 H LEU B 12 140.256 -2.452 -12.955 1.00 0.32 H new ATOM 0 HA LEU B 12 140.387 -2.412 -10.173 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.849 -4.252 -12.113 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.450 -4.788 -11.643 1.00 0.32 H new ATOM 0 HG LEU B 12 139.625 -5.985 -10.474 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.560 -5.798 -8.203 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.834 -5.836 -9.445 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.389 -4.295 -8.674 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.353 -4.833 -8.704 1.00 0.54 H new ATOM 0 HD22 LEU B 12 139.077 -3.284 -9.199 1.00 0.54 H new ATOM 0 HD23 LEU B 12 138.004 -4.163 -10.315 1.00 0.54 H new ATOM 908 N VAL B 13 143.348 -2.676 -11.611 1.00 0.25 N ATOM 909 CA VAL B 13 144.789 -2.604 -11.346 1.00 0.26 C ATOM 910 C VAL B 13 145.184 -1.268 -10.695 1.00 0.22 C ATOM 911 O VAL B 13 146.291 -1.132 -10.171 1.00 0.26 O ATOM 912 CB VAL B 13 145.625 -2.827 -12.632 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.836 -1.525 -13.398 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.962 -3.472 -12.288 1.00 0.52 C ATOM 0 H VAL B 13 143.100 -2.682 -12.600 1.00 0.25 H new ATOM 0 HA VAL B 13 145.011 -3.410 -10.646 1.00 0.26 H new ATOM 0 HB VAL B 13 145.066 -3.501 -13.281 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.426 -1.721 -14.293 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.869 -1.110 -13.684 1.00 0.62 H new ATOM 0 HG13 VAL B 13 146.364 -0.812 -12.765 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.539 -3.623 -13.201 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.516 -2.821 -11.612 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.789 -4.434 -11.805 1.00 0.52 H new ATOM 924 N LYS B 14 144.259 -0.301 -10.698 1.00 0.24 N ATOM 925 CA LYS B 14 144.500 0.998 -10.078 1.00 0.25 C ATOM 926 C LYS B 14 144.144 0.933 -8.597 1.00 0.22 C ATOM 927 O LYS B 14 144.898 1.409 -7.748 1.00 0.29 O ATOM 928 CB LYS B 14 143.682 2.094 -10.766 1.00 0.34 C ATOM 929 CG LYS B 14 144.125 2.384 -12.191 1.00 0.87 C ATOM 930 CD LYS B 14 143.382 3.578 -12.773 1.00 0.75 C ATOM 931 CE LYS B 14 144.327 4.731 -13.078 1.00 0.70 C ATOM 932 NZ LYS B 14 144.597 4.861 -14.538 1.00 0.72 N ATOM 0 H LYS B 14 143.337 -0.398 -11.124 1.00 0.24 H new ATOM 0 HA LYS B 14 145.556 1.243 -10.188 1.00 0.25 H new ATOM 0 HB2 LYS B 14 142.632 1.801 -10.774 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.753 3.010 -10.179 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.197 2.578 -12.208 1.00 0.87 H new ATOM 0 HG3 LYS B 14 143.950 1.506 -12.813 1.00 0.87 H new ATOM 0 HD2 LYS B 14 142.867 3.277 -13.686 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.618 3.909 -12.070 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.897 5.660 -12.705 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.267 4.579 -12.548 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 145.245 5.658 -14.702 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.031 3.984 -14.890 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.704 5.032 -15.042 1.00 0.72 H new ATOM 946 N HIS B 15 142.988 0.328 -8.300 1.00 0.24 N ATOM 947 CA HIS B 15 142.521 0.180 -6.923 1.00 0.27 C ATOM 948 C HIS B 15 143.528 -0.623 -6.101 1.00 0.25 C ATOM 949 O HIS B 15 144.155 -0.087 -5.189 1.00 0.45 O ATOM 950 CB HIS B 15 141.151 -0.508 -6.889 1.00 0.33 C ATOM 951 CG HIS B 15 140.026 0.355 -7.377 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.864 0.551 -6.661 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.887 1.071 -8.519 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.059 1.348 -7.341 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.656 1.678 -8.470 1.00 0.76 N ATOM 0 H HIS B 15 142.359 -0.067 -9.000 1.00 0.24 H new ATOM 0 HA HIS B 15 142.424 1.175 -6.488 1.00 0.27 H new ATOM 0 HB2 HIS B 15 141.194 -1.411 -7.498 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.938 -0.822 -5.867 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.609 1.150 -9.318 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.079 1.674 -7.026 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.266 2.286 -9.190 1.00 0.76 H new ATOM 964 N LYS B 16 143.658 -1.916 -6.421 1.00 0.21 N ATOM 965 CA LYS B 16 144.571 -2.819 -5.714 1.00 0.27 C ATOM 966 C LYS B 16 145.915 -2.164 -5.379 1.00 0.36 C ATOM 967 O LYS B 16 146.370 -2.242 -4.236 1.00 0.69 O ATOM 968 CB LYS B 16 144.810 -4.082 -6.547 1.00 0.35 C ATOM 969 CG LYS B 16 143.862 -5.222 -6.210 1.00 0.46 C ATOM 970 CD LYS B 16 143.817 -6.261 -7.321 1.00 0.49 C ATOM 971 CE LYS B 16 144.211 -7.641 -6.816 1.00 0.53 C ATOM 972 NZ LYS B 16 145.567 -8.043 -7.286 1.00 0.61 N ATOM 0 H LYS B 16 143.135 -2.363 -7.174 1.00 0.21 H new ATOM 0 HA LYS B 16 144.091 -3.075 -4.769 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.707 -3.835 -7.604 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.836 -4.417 -6.397 1.00 0.35 H new ATOM 0 HG2 LYS B 16 144.178 -5.696 -5.281 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.861 -4.825 -6.041 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.812 -6.301 -7.742 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.488 -5.963 -8.126 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.189 -7.648 -5.726 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.478 -8.374 -7.155 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.795 -8.989 -6.919 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.583 -8.062 -8.326 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.271 -7.359 -6.942 1.00 0.61 H new ATOM 986 N GLU B 17 146.555 -1.528 -6.367 1.00 0.30 N ATOM 987 CA GLU B 17 147.850 -0.879 -6.149 1.00 0.38 C ATOM 988 C GLU B 17 147.722 0.361 -5.262 1.00 0.32 C ATOM 989 O GLU B 17 148.601 0.635 -4.444 1.00 0.40 O ATOM 990 CB GLU B 17 148.479 -0.494 -7.491 1.00 0.51 C ATOM 991 CG GLU B 17 149.998 -0.445 -7.461 1.00 0.80 C ATOM 992 CD GLU B 17 150.574 0.431 -8.556 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.746 -0.069 -9.689 1.00 1.47 O ATOM 994 OE2 GLU B 17 150.853 1.617 -8.283 1.00 1.49 O ATOM 0 H GLU B 17 146.199 -1.450 -7.320 1.00 0.30 H new ATOM 0 HA GLU B 17 148.493 -1.593 -5.635 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.162 -1.210 -8.250 1.00 0.51 H new ATOM 0 HB3 GLU B 17 148.099 0.481 -7.794 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.327 -0.072 -6.491 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.393 -1.456 -7.564 1.00 0.80 H new ATOM 1001 N LEU B 18 146.621 1.099 -5.419 1.00 0.32 N ATOM 1002 CA LEU B 18 146.383 2.299 -4.618 1.00 0.34 C ATOM 1003 C LEU B 18 146.212 1.931 -3.146 1.00 0.35 C ATOM 1004 O LEU B 18 146.790 2.573 -2.267 1.00 0.66 O ATOM 1005 CB LEU B 18 145.146 3.053 -5.118 1.00 0.51 C ATOM 1006 CG LEU B 18 145.442 4.347 -5.880 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.193 4.848 -6.588 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.988 5.411 -4.935 1.00 0.75 C ATOM 0 H LEU B 18 145.884 0.887 -6.091 1.00 0.32 H new ATOM 0 HA LEU B 18 147.250 2.952 -4.721 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.572 2.390 -5.766 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.513 3.289 -4.263 1.00 0.51 H new ATOM 0 HG LEU B 18 146.201 4.137 -6.634 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.423 5.769 -7.124 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.848 4.093 -7.295 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.411 5.042 -5.853 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.193 6.324 -5.494 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.253 5.619 -4.157 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.909 5.052 -4.476 1.00 0.75 H new ATOM 1020 N LEU B 19 145.428 0.880 -2.889 1.00 0.45 N ATOM 1021 CA LEU B 19 145.193 0.407 -1.530 1.00 0.47 C ATOM 1022 C LEU B 19 146.480 -0.155 -0.929 1.00 0.33 C ATOM 1023 O LEU B 19 146.731 -0.002 0.268 1.00 0.45 O ATOM 1024 CB LEU B 19 144.098 -0.666 -1.519 1.00 0.63 C ATOM 1025 CG LEU B 19 142.976 -0.442 -0.502 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.689 -1.105 -0.971 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.383 -0.972 0.867 1.00 0.96 C ATOM 0 H LEU B 19 144.946 0.342 -3.609 1.00 0.45 H new ATOM 0 HA LEU B 19 144.864 1.252 -0.926 1.00 0.47 H new ATOM 0 HB2 LEU B 19 143.658 -0.724 -2.515 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.561 -1.632 -1.319 1.00 0.63 H new ATOM 0 HG LEU B 19 142.798 0.630 -0.417 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.903 -0.935 -0.235 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.388 -0.679 -1.928 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.853 -2.176 -1.086 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.574 -0.804 1.577 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.589 -2.040 0.797 1.00 0.96 H new ATOM 0 HD23 LEU B 19 144.278 -0.451 1.207 1.00 0.96 H new ATOM 1039 N ARG B 20 147.300 -0.794 -1.773 1.00 0.35 N ATOM 1040 CA ARG B 20 148.568 -1.364 -1.326 1.00 0.49 C ATOM 1041 C ARG B 20 149.495 -0.262 -0.824 1.00 0.40 C ATOM 1042 O ARG B 20 149.893 -0.273 0.342 1.00 0.49 O ATOM 1043 CB ARG B 20 149.239 -2.149 -2.458 1.00 0.76 C ATOM 1044 CG ARG B 20 148.872 -3.625 -2.473 1.00 0.85 C ATOM 1045 CD ARG B 20 149.928 -4.457 -3.185 1.00 0.96 C ATOM 1046 NE ARG B 20 149.381 -5.719 -3.689 1.00 1.06 N ATOM 1047 CZ ARG B 20 149.842 -6.932 -3.361 1.00 1.13 C ATOM 1048 NH1 ARG B 20 150.869 -7.074 -2.524 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.267 -8.015 -3.876 1.00 1.59 N ATOM 0 H ARG B 20 147.105 -0.927 -2.765 1.00 0.35 H new ATOM 0 HA ARG B 20 148.365 -2.052 -0.506 1.00 0.49 H new ATOM 0 HB2 ARG B 20 148.960 -1.704 -3.413 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.321 -2.053 -2.365 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.756 -3.982 -1.450 1.00 0.85 H new ATOM 0 HG3 ARG B 20 147.910 -3.756 -2.968 1.00 0.85 H new ATOM 0 HD2 ARG B 20 150.343 -3.884 -4.014 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.749 -4.665 -2.499 1.00 0.96 H new ATOM 0 HE ARG B 20 148.593 -5.670 -4.335 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.317 -6.250 -2.122 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.207 -8.006 -2.285 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.479 -7.918 -4.517 1.00 1.59 H new ATOM 0 HH22 ARG B 20 149.614 -8.942 -3.630 1.00 1.59 H new ATOM 1063 N ARG B 21 149.838 0.693 -1.700 1.00 0.35 N ATOM 1064 CA ARG B 21 150.716 1.804 -1.333 1.00 0.35 C ATOM 1065 C ARG B 21 150.255 2.482 -0.044 1.00 0.34 C ATOM 1066 O ARG B 21 151.080 2.835 0.796 1.00 0.47 O ATOM 1067 CB ARG B 21 150.764 2.829 -2.472 1.00 0.45 C ATOM 1068 CG ARG B 21 152.067 3.608 -2.548 1.00 0.70 C ATOM 1069 CD ARG B 21 151.998 4.703 -3.601 1.00 0.98 C ATOM 1070 NE ARG B 21 153.325 5.151 -4.024 1.00 0.97 N ATOM 1071 CZ ARG B 21 153.553 6.283 -4.696 1.00 1.25 C ATOM 1072 NH1 ARG B 21 152.545 7.089 -5.025 1.00 2.12 N ATOM 1073 NH2 ARG B 21 154.793 6.610 -5.042 1.00 1.53 N ATOM 0 H ARG B 21 149.518 0.715 -2.668 1.00 0.35 H new ATOM 0 HA ARG B 21 151.714 1.400 -1.161 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.606 2.313 -3.419 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.939 3.531 -2.350 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.286 4.049 -1.576 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.886 2.928 -2.781 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.447 4.337 -4.467 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.440 5.551 -3.204 1.00 0.98 H new ATOM 0 HE ARG B 21 154.125 4.563 -3.792 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.590 6.844 -4.764 1.00 2.12 H new ATOM 0 HH12 ARG B 21 152.728 7.951 -5.538 1.00 2.12 H new ATOM 0 HH21 ARG B 21 155.570 5.997 -4.795 1.00 1.53 H new ATOM 0 HH22 ARG B 21 154.968 7.474 -5.555 1.00 1.53 H new ATOM 1087 N LYS B 22 148.934 2.659 0.106 1.00 0.30 N ATOM 1088 CA LYS B 22 148.368 3.291 1.303 1.00 0.36 C ATOM 1089 C LYS B 22 149.036 2.747 2.566 1.00 0.31 C ATOM 1090 O LYS B 22 149.426 3.510 3.451 1.00 0.36 O ATOM 1091 CB LYS B 22 146.855 3.060 1.369 1.00 0.47 C ATOM 1092 CG LYS B 22 146.084 4.246 1.927 1.00 0.69 C ATOM 1093 CD LYS B 22 144.630 4.230 1.479 1.00 0.86 C ATOM 1094 CE LYS B 22 143.709 3.723 2.580 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.087 4.838 3.350 1.00 0.70 N ATOM 0 H LYS B 22 148.241 2.374 -0.586 1.00 0.30 H new ATOM 0 HA LYS B 22 148.557 4.363 1.242 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.486 2.835 0.368 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.656 2.184 1.987 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.130 4.231 3.016 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.556 5.173 1.601 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.328 5.235 1.186 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.527 3.597 0.598 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.926 3.105 2.141 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.274 3.085 3.260 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.468 4.447 4.089 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.833 5.413 3.792 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.526 5.433 2.708 1.00 0.70 H new ATOM 1109 N ASP B 23 149.194 1.422 2.619 1.00 0.32 N ATOM 1110 CA ASP B 23 149.846 0.766 3.747 1.00 0.32 C ATOM 1111 C ASP B 23 151.341 1.080 3.733 1.00 0.30 C ATOM 1112 O ASP B 23 151.877 1.630 4.692 1.00 0.37 O ATOM 1113 CB ASP B 23 149.620 -0.748 3.682 1.00 0.36 C ATOM 1114 CG ASP B 23 148.505 -1.205 4.601 1.00 0.75 C ATOM 1115 OD1 ASP B 23 147.335 -1.198 4.164 1.00 1.15 O ATOM 1116 OD2 ASP B 23 148.801 -1.568 5.759 1.00 1.11 O ATOM 0 H ASP B 23 148.877 0.784 1.889 1.00 0.32 H new ATOM 0 HA ASP B 23 149.414 1.140 4.675 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.383 -1.034 2.657 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.543 -1.262 3.951 1.00 0.36 H new ATOM 1121 N THR B 24 152.002 0.719 2.630 1.00 0.28 N ATOM 1122 CA THR B 24 153.439 0.955 2.460 1.00 0.29 C ATOM 1123 C THR B 24 153.841 2.372 2.898 1.00 0.27 C ATOM 1124 O THR B 24 154.903 2.562 3.490 1.00 0.32 O ATOM 1125 CB THR B 24 153.839 0.727 0.998 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.629 -0.625 0.626 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.287 1.063 0.706 1.00 0.55 C ATOM 0 H THR B 24 151.560 0.258 1.834 1.00 0.28 H new ATOM 0 HA THR B 24 153.968 0.247 3.099 1.00 0.29 H new ATOM 0 HB THR B 24 153.206 1.402 0.421 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.888 -0.751 -0.311 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.498 0.877 -0.347 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.470 2.113 0.933 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.936 0.440 1.322 1.00 0.55 H new ATOM 1135 N HIS B 25 152.987 3.358 2.602 1.00 0.26 N ATOM 1136 CA HIS B 25 153.256 4.750 2.965 1.00 0.29 C ATOM 1137 C HIS B 25 153.188 4.951 4.478 1.00 0.31 C ATOM 1138 O HIS B 25 154.104 5.520 5.074 1.00 0.41 O ATOM 1139 CB HIS B 25 152.268 5.686 2.265 1.00 0.34 C ATOM 1140 CG HIS B 25 152.900 6.943 1.752 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.275 7.986 2.572 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.226 7.320 0.494 1.00 0.94 C ATOM 1143 CE1 HIS B 25 153.803 8.951 1.840 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.785 8.571 0.576 1.00 0.74 N ATOM 0 H HIS B 25 152.104 3.216 2.112 1.00 0.26 H new ATOM 0 HA HIS B 25 154.267 4.991 2.635 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.804 5.156 1.433 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.471 5.947 2.961 1.00 0.34 H new ATOM 0 HD2 HIS B 25 153.075 6.744 -0.407 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.184 9.890 2.212 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.131 9.118 -0.212 1.00 0.74 H new ATOM 1153 N ILE B 26 152.109 4.469 5.102 1.00 0.29 N ATOM 1154 CA ILE B 26 151.955 4.589 6.552 1.00 0.35 C ATOM 1155 C ILE B 26 152.983 3.716 7.283 1.00 0.35 C ATOM 1156 O ILE B 26 153.240 3.909 8.473 1.00 0.47 O ATOM 1157 CB ILE B 26 150.527 4.215 7.021 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.207 2.752 6.690 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.500 5.144 6.386 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.101 2.165 7.541 1.00 0.68 C ATOM 0 H ILE B 26 151.337 3.997 4.630 1.00 0.29 H new ATOM 0 HA ILE B 26 152.127 5.636 6.800 1.00 0.35 H new ATOM 0 HB ILE B 26 150.482 4.334 8.104 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.923 2.680 5.640 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.109 2.154 6.818 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.501 4.869 6.725 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.711 6.173 6.677 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.552 5.056 5.301 1.00 0.54 H new ATOM 0 HD11 ILE B 26 148.930 1.128 7.251 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.390 2.205 8.591 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.186 2.739 7.395 1.00 0.68 H new ATOM 1172 N ARG B 27 153.582 2.768 6.551 1.00 0.31 N ATOM 1173 CA ARG B 27 154.595 1.877 7.106 1.00 0.37 C ATOM 1174 C ARG B 27 155.985 2.513 7.007 1.00 0.34 C ATOM 1175 O ARG B 27 156.800 2.378 7.921 1.00 0.39 O ATOM 1176 CB ARG B 27 154.574 0.534 6.371 1.00 0.46 C ATOM 1177 CG ARG B 27 155.440 -0.534 7.018 1.00 0.53 C ATOM 1178 CD ARG B 27 156.122 -1.404 5.973 1.00 0.80 C ATOM 1179 NE ARG B 27 157.151 -2.265 6.559 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.608 -3.381 5.985 1.00 0.92 C ATOM 1181 NH1 ARG B 27 157.139 -3.776 4.803 1.00 1.21 N ATOM 1182 NH2 ARG B 27 158.540 -4.105 6.595 1.00 1.67 N ATOM 0 H ARG B 27 153.377 2.602 5.566 1.00 0.31 H new ATOM 0 HA ARG B 27 154.368 1.708 8.159 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.546 0.174 6.321 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.908 0.687 5.345 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.194 -0.061 7.648 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.826 -1.157 7.668 1.00 0.53 H new ATOM 0 HD2 ARG B 27 155.376 -2.021 5.473 1.00 0.80 H new ATOM 0 HD3 ARG B 27 156.573 -0.768 5.211 1.00 0.80 H new ATOM 0 HE ARG B 27 157.543 -1.996 7.461 1.00 0.90 H new ATOM 0 HH11 ARG B 27 156.424 -3.225 4.328 1.00 1.21 H new ATOM 0 HH12 ARG B 27 157.494 -4.630 4.373 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.905 -3.808 7.500 1.00 1.67 H new ATOM 0 HH22 ARG B 27 158.890 -4.958 6.158 1.00 1.67 H new ATOM 1196 N GLU B 28 156.247 3.216 5.898 1.00 0.33 N ATOM 1197 CA GLU B 28 157.536 3.880 5.700 1.00 0.36 C ATOM 1198 C GLU B 28 157.684 5.055 6.666 1.00 0.35 C ATOM 1199 O GLU B 28 158.744 5.242 7.266 1.00 0.44 O ATOM 1200 CB GLU B 28 157.702 4.352 4.246 1.00 0.47 C ATOM 1201 CG GLU B 28 156.694 5.406 3.810 1.00 0.78 C ATOM 1202 CD GLU B 28 157.077 6.083 2.508 1.00 1.17 C ATOM 1203 OE1 GLU B 28 157.992 6.933 2.527 1.00 1.79 O ATOM 1204 OE2 GLU B 28 156.458 5.766 1.470 1.00 1.62 O ATOM 0 H GLU B 28 155.587 3.338 5.130 1.00 0.33 H new ATOM 0 HA GLU B 28 158.323 3.155 5.908 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.707 4.753 4.119 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.617 3.490 3.585 1.00 0.47 H new ATOM 0 HG2 GLU B 28 155.715 4.941 3.698 1.00 0.78 H new ATOM 0 HG3 GLU B 28 156.602 6.159 4.592 1.00 0.78 H new ATOM 1211 N LEU B 29 156.606 5.830 6.828 1.00 0.33 N ATOM 1212 CA LEU B 29 156.607 6.973 7.741 1.00 0.38 C ATOM 1213 C LEU B 29 156.708 6.515 9.203 1.00 0.42 C ATOM 1214 O LEU B 29 157.011 7.316 10.089 1.00 0.79 O ATOM 1215 CB LEU B 29 155.341 7.812 7.546 1.00 0.46 C ATOM 1216 CG LEU B 29 155.545 9.122 6.780 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.373 8.902 5.284 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.580 10.188 7.282 1.00 0.59 C ATOM 0 H LEU B 29 155.723 5.685 6.338 1.00 0.33 H new ATOM 0 HA LEU B 29 157.481 7.583 7.511 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.602 7.210 7.017 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.922 8.043 8.525 1.00 0.46 H new ATOM 0 HG LEU B 29 156.563 9.469 6.957 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.522 9.845 4.758 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.105 8.173 4.937 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.368 8.530 5.084 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.738 11.113 6.727 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.555 9.848 7.136 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.755 10.367 8.343 1.00 0.59 H new ATOM 1230 N GLU B 30 156.484 5.216 9.441 1.00 0.43 N ATOM 1231 CA GLU B 30 156.581 4.652 10.784 1.00 0.45 C ATOM 1232 C GLU B 30 158.045 4.582 11.224 1.00 0.44 C ATOM 1233 O GLU B 30 158.348 4.699 12.412 1.00 0.58 O ATOM 1234 CB GLU B 30 155.942 3.261 10.836 1.00 0.51 C ATOM 1235 CG GLU B 30 154.569 3.249 11.491 1.00 0.58 C ATOM 1236 CD GLU B 30 154.643 3.113 13.001 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.911 4.129 13.677 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.434 1.990 13.507 1.00 1.26 O ATOM 0 H GLU B 30 156.235 4.540 8.718 1.00 0.43 H new ATOM 0 HA GLU B 30 156.039 5.303 11.470 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.856 2.871 9.822 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.602 2.587 11.381 1.00 0.51 H new ATOM 0 HG2 GLU B 30 154.042 4.169 11.238 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.984 2.424 11.084 1.00 0.58 H new ATOM 1245 N ASP B 31 158.949 4.422 10.250 1.00 0.41 N ATOM 1246 CA ASP B 31 160.384 4.371 10.523 1.00 0.55 C ATOM 1247 C ASP B 31 160.965 5.785 10.603 1.00 0.57 C ATOM 1248 O ASP B 31 161.951 6.023 11.304 1.00 0.76 O ATOM 1249 CB ASP B 31 161.109 3.571 9.436 1.00 0.69 C ATOM 1250 CG ASP B 31 161.737 2.303 9.978 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.880 2.373 10.478 1.00 1.66 O ATOM 1252 OD2 ASP B 31 161.087 1.239 9.903 1.00 1.74 O ATOM 0 H ASP B 31 158.707 4.326 9.264 1.00 0.41 H new ATOM 0 HA ASP B 31 160.531 3.875 11.482 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.404 3.315 8.645 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.882 4.193 8.985 1.00 0.69 H new ATOM 1257 N TYR B 32 160.326 6.723 9.894 1.00 0.49 N ATOM 1258 CA TYR B 32 160.754 8.120 9.896 1.00 0.56 C ATOM 1259 C TYR B 32 160.442 8.756 11.249 1.00 0.56 C ATOM 1260 O TYR B 32 161.266 9.481 11.810 1.00 0.67 O ATOM 1261 CB TYR B 32 160.066 8.900 8.771 1.00 0.60 C ATOM 1262 CG TYR B 32 160.866 8.945 7.487 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.185 9.384 7.481 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.301 8.548 6.280 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.917 9.427 6.310 1.00 1.37 C ATOM 1266 CE2 TYR B 32 161.028 8.589 5.106 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.335 9.029 5.126 1.00 1.21 C ATOM 1268 OH TYR B 32 163.061 9.072 3.958 1.00 1.53 O ATOM 0 H TYR B 32 159.510 6.536 9.312 1.00 0.49 H new ATOM 0 HA TYR B 32 161.830 8.155 9.725 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.095 8.448 8.568 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.879 9.919 9.109 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.645 9.697 8.407 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.278 8.202 6.260 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.941 9.771 6.323 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.575 8.278 4.176 1.00 1.17 H new ATOM 0 HH TYR B 32 162.505 8.757 3.215 1.00 1.53 H new ATOM 1278 N ILE B 33 159.253 8.452 11.777 1.00 0.54 N ATOM 1279 CA ILE B 33 158.829 8.963 13.079 1.00 0.64 C ATOM 1280 C ILE B 33 159.448 8.141 14.222 1.00 0.58 C ATOM 1281 O ILE B 33 159.413 8.556 15.381 1.00 0.78 O ATOM 1282 CB ILE B 33 157.287 8.954 13.216 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.640 9.708 12.048 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.861 9.568 14.544 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.210 9.293 11.776 1.00 0.87 C ATOM 0 H ILE B 33 158.567 7.852 11.319 1.00 0.54 H new ATOM 0 HA ILE B 33 159.180 9.993 13.147 1.00 0.64 H new ATOM 0 HB ILE B 33 156.948 7.918 13.192 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.665 10.777 12.258 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.234 9.546 11.148 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.774 9.552 14.620 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.291 8.994 15.365 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.213 10.598 14.598 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.818 9.868 10.937 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.179 8.231 11.534 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.602 9.481 12.661 1.00 0.87 H new ATOM 1297 N ASP B 34 160.042 6.988 13.880 1.00 0.46 N ATOM 1298 CA ASP B 34 160.692 6.130 14.870 1.00 0.50 C ATOM 1299 C ASP B 34 161.966 6.789 15.407 1.00 0.40 C ATOM 1300 O ASP B 34 162.357 6.548 16.542 1.00 0.45 O ATOM 1301 CB ASP B 34 161.026 4.762 14.267 1.00 0.69 C ATOM 1302 CG ASP B 34 160.400 3.620 15.047 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.828 3.380 16.196 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.484 2.965 14.508 1.00 1.46 O ATOM 0 H ASP B 34 160.083 6.632 12.925 1.00 0.46 H new ATOM 0 HA ASP B 34 159.997 5.988 15.697 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.678 4.728 13.235 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.108 4.632 14.243 1.00 0.69 H new ATOM 1309 N ASN B 35 162.595 7.629 14.580 1.00 0.52 N ATOM 1310 CA ASN B 35 163.817 8.342 14.966 1.00 0.58 C ATOM 1311 C ASN B 35 163.661 8.973 16.351 1.00 0.49 C ATOM 1312 O ASN B 35 164.608 8.997 17.140 1.00 0.61 O ATOM 1313 CB ASN B 35 164.158 9.422 13.936 1.00 0.78 C ATOM 1314 CG ASN B 35 164.923 8.868 12.747 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.153 8.849 12.743 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.196 8.413 11.731 1.00 1.31 N ATOM 0 H ASN B 35 162.276 7.833 13.633 1.00 0.52 H new ATOM 0 HA ASN B 35 164.632 7.619 15.001 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.238 9.890 13.586 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.750 10.202 14.414 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.657 8.029 10.906 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.178 8.448 11.777 1.00 1.31 H new ATOM 1323 N LEU B 36 162.453 9.461 16.646 1.00 0.44 N ATOM 1324 CA LEU B 36 162.161 10.069 17.942 1.00 0.51 C ATOM 1325 C LEU B 36 162.195 9.006 19.041 1.00 0.47 C ATOM 1326 O LEU B 36 162.780 9.220 20.104 1.00 0.59 O ATOM 1327 CB LEU B 36 160.788 10.759 17.925 1.00 0.71 C ATOM 1328 CG LEU B 36 160.465 11.560 16.658 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.019 12.030 16.683 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.412 12.744 16.513 1.00 1.64 C ATOM 0 H LEU B 36 161.662 9.446 16.002 1.00 0.44 H new ATOM 0 HA LEU B 36 162.923 10.821 18.146 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.018 9.999 18.059 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.727 11.429 18.782 1.00 0.71 H new ATOM 0 HG LEU B 36 160.602 10.909 15.795 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.805 12.597 15.777 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.356 11.166 16.735 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.858 12.664 17.555 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.165 13.299 15.608 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.311 13.399 17.379 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.439 12.383 16.449 1.00 1.64 H new ATOM 1342 N LEU B 37 161.573 7.856 18.766 1.00 0.41 N ATOM 1343 CA LEU B 37 161.535 6.747 19.717 1.00 0.48 C ATOM 1344 C LEU B 37 162.186 5.491 19.122 1.00 0.41 C ATOM 1345 O LEU B 37 161.544 4.446 18.996 1.00 0.54 O ATOM 1346 CB LEU B 37 160.086 6.448 20.125 1.00 0.65 C ATOM 1347 CG LEU B 37 159.112 6.215 18.962 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.155 5.075 19.281 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.342 7.491 18.647 1.00 0.69 C ATOM 0 H LEU B 37 161.088 7.671 17.888 1.00 0.41 H new ATOM 0 HA LEU B 37 162.101 7.038 20.602 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.081 5.565 20.764 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.716 7.279 20.726 1.00 0.65 H new ATOM 0 HG LEU B 37 159.691 5.936 18.081 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.473 4.927 18.443 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.723 4.161 19.453 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.582 5.320 20.176 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.656 7.307 17.820 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.776 7.801 19.526 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.042 8.279 18.370 1.00 0.69 H new ATOM 1361 N VAL B 38 163.467 5.599 18.757 1.00 0.36 N ATOM 1362 CA VAL B 38 164.203 4.472 18.174 1.00 0.49 C ATOM 1363 C VAL B 38 164.016 3.207 19.017 1.00 0.67 C ATOM 1364 O VAL B 38 163.735 3.293 20.212 1.00 1.35 O ATOM 1365 CB VAL B 38 165.713 4.792 18.046 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.487 3.593 17.516 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.928 6.004 17.149 1.00 0.89 C ATOM 0 H VAL B 38 164.015 6.453 18.854 1.00 0.36 H new ATOM 0 HA VAL B 38 163.798 4.300 17.177 1.00 0.49 H new ATOM 0 HB VAL B 38 166.092 5.023 19.041 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.544 3.848 17.437 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.367 2.752 18.199 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.105 3.319 16.532 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.995 6.214 17.071 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.525 5.799 16.157 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.419 6.868 17.576 1.00 0.89 H new ATOM 1377 N ARG B 39 164.145 2.040 18.371 1.00 0.54 N ATOM 1378 CA ARG B 39 163.965 0.742 19.035 1.00 0.62 C ATOM 1379 C ARG B 39 164.770 0.635 20.336 1.00 0.51 C ATOM 1380 O ARG B 39 165.885 0.109 20.354 1.00 0.63 O ATOM 1381 CB ARG B 39 164.352 -0.397 18.082 1.00 0.93 C ATOM 1382 CG ARG B 39 163.168 -1.228 17.612 1.00 1.15 C ATOM 1383 CD ARG B 39 163.384 -1.770 16.206 1.00 1.41 C ATOM 1384 NE ARG B 39 162.806 -3.104 16.035 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.481 -4.246 16.205 1.00 1.77 C ATOM 1386 NH1 ARG B 39 164.765 -4.231 16.556 1.00 2.06 N ATOM 1387 NH2 ARG B 39 162.866 -5.411 16.024 1.00 2.18 N ATOM 0 H ARG B 39 164.376 1.969 17.380 1.00 0.54 H new ATOM 0 HA ARG B 39 162.911 0.658 19.298 1.00 0.62 H new ATOM 0 HB2 ARG B 39 164.857 0.024 17.213 1.00 0.93 H new ATOM 0 HB3 ARG B 39 165.068 -1.050 18.582 1.00 0.93 H new ATOM 0 HG2 ARG B 39 163.009 -2.057 18.301 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.265 -0.619 17.632 1.00 1.15 H new ATOM 0 HD2 ARG B 39 162.939 -1.087 15.482 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.452 -1.808 15.993 1.00 1.41 H new ATOM 0 HE ARG B 39 161.823 -3.167 15.769 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.244 -3.342 16.698 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.269 -5.108 16.683 1.00 2.06 H new ATOM 0 HH21 ARG B 39 161.882 -5.432 15.756 1.00 2.18 H new ATOM 0 HH22 ARG B 39 163.378 -6.284 16.153 1.00 2.18 H new ATOM 1401 N VAL B 40 164.179 1.135 21.424 1.00 0.43 N ATOM 1402 CA VAL B 40 164.803 1.105 22.747 1.00 0.56 C ATOM 1403 C VAL B 40 163.725 1.074 23.836 1.00 0.71 C ATOM 1404 O VAL B 40 163.630 1.984 24.664 1.00 1.15 O ATOM 1405 CB VAL B 40 165.733 2.325 22.975 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.462 2.207 24.307 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.730 2.472 21.834 1.00 0.65 C ATOM 0 H VAL B 40 163.257 1.571 21.412 1.00 0.43 H new ATOM 0 HA VAL B 40 165.411 0.202 22.801 1.00 0.56 H new ATOM 0 HB VAL B 40 165.111 3.220 23.001 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.109 3.073 24.446 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.734 2.164 25.117 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.066 1.299 24.312 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.370 3.335 22.019 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.343 1.573 21.768 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.192 2.613 20.897 1.00 0.65 H new ATOM 1417 N MET B 41 162.904 0.023 23.819 1.00 0.60 N ATOM 1418 CA MET B 41 161.823 -0.128 24.793 1.00 0.74 C ATOM 1419 C MET B 41 162.185 -1.158 25.862 1.00 0.91 C ATOM 1420 O MET B 41 162.513 -2.307 25.494 1.00 0.91 O ATOM 1421 CB MET B 41 160.524 -0.536 24.088 1.00 0.73 C ATOM 1422 CG MET B 41 160.141 0.374 22.930 1.00 0.74 C ATOM 1423 SD MET B 41 159.387 -0.522 21.558 1.00 0.86 S ATOM 1424 CE MET B 41 159.574 0.665 20.230 1.00 0.70 C ATOM 1425 OXT MET B 41 162.138 -0.806 27.059 1.00 1.13 O ATOM 0 H MET B 41 162.967 -0.736 23.141 1.00 0.60 H new ATOM 0 HA MET B 41 161.675 0.834 25.283 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.628 -1.556 23.717 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.713 -0.542 24.816 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.447 1.135 23.286 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.030 0.895 22.573 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.154 0.254 19.312 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.050 1.585 20.488 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.632 0.879 20.080 1.00 0.70 H new