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 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.241 X(o=-0.24,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= -0.443 X(o=-0.44,f=-0.1) 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) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.394 K(o=0.39,f=-0.36) 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= -0.21 X(o=-0.21,f=-0.35) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.43) 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) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.109 -18.293 -19.306 1.00 0.77 N ATOM 2 CA GLY A 1 130.718 -18.239 -18.775 1.00 0.81 C ATOM 3 C GLY A 1 130.468 -17.007 -17.925 1.00 0.65 C ATOM 4 O GLY A 1 129.962 -15.999 -18.422 1.00 0.70 O ATOM 0 H1 GLY A 1 132.229 -19.152 -19.879 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.288 -17.455 -19.896 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.783 -18.309 -18.514 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.014 -18.251 -19.607 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.524 -19.132 -18.181 1.00 0.81 H new ATOM 10 N SER A 2 130.823 -17.088 -16.641 1.00 0.55 N ATOM 11 CA SER A 2 130.635 -15.970 -15.716 1.00 0.48 C ATOM 12 C SER A 2 131.916 -15.162 -15.545 1.00 0.47 C ATOM 13 O SER A 2 131.850 -13.961 -15.296 1.00 0.71 O ATOM 14 CB SER A 2 130.143 -16.475 -14.359 1.00 0.54 C ATOM 15 OG SER A 2 128.751 -16.260 -14.209 1.00 0.67 O ATOM 0 H SER A 2 131.242 -17.916 -16.219 1.00 0.55 H new ATOM 0 HA SER A 2 129.880 -15.312 -16.145 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.362 -17.538 -14.262 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.681 -15.964 -13.560 1.00 0.54 H new ATOM 0 HG SER A 2 128.461 -16.593 -13.334 1.00 0.67 H new ATOM 21 N LEU A 3 133.076 -15.811 -15.704 1.00 0.38 N ATOM 22 CA LEU A 3 134.361 -15.114 -15.595 1.00 0.43 C ATOM 23 C LEU A 3 134.521 -14.183 -16.795 1.00 0.53 C ATOM 24 O LEU A 3 135.308 -14.444 -17.709 1.00 0.88 O ATOM 25 CB LEU A 3 135.530 -16.109 -15.520 1.00 0.48 C ATOM 26 CG LEU A 3 135.424 -17.320 -16.454 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.744 -17.567 -17.171 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.997 -18.556 -15.673 1.00 1.42 C ATOM 0 H LEU A 3 133.150 -16.808 -15.907 1.00 0.38 H new ATOM 0 HA LEU A 3 134.374 -14.531 -14.674 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.453 -15.576 -15.747 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.613 -16.469 -14.494 1.00 0.48 H new ATOM 0 HG LEU A 3 134.665 -17.107 -17.207 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.645 -18.431 -17.828 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.007 -16.690 -17.762 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.527 -17.757 -16.437 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.926 -19.408 -16.350 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.733 -18.769 -14.898 1.00 1.42 H new ATOM 0 HD23 LEU A 3 134.026 -18.377 -15.212 1.00 1.42 H new ATOM 40 N THR A 4 133.722 -13.117 -16.793 1.00 0.41 N ATOM 41 CA THR A 4 133.710 -12.152 -17.883 1.00 0.49 C ATOM 42 C THR A 4 133.221 -10.770 -17.413 1.00 0.39 C ATOM 43 O THR A 4 133.259 -10.459 -16.222 1.00 0.39 O ATOM 44 CB THR A 4 132.834 -12.691 -19.034 1.00 0.65 C ATOM 45 OG1 THR A 4 131.906 -13.659 -18.562 1.00 0.64 O ATOM 46 CG2 THR A 4 133.641 -13.333 -20.147 1.00 0.80 C ATOM 0 H THR A 4 133.070 -12.902 -16.039 1.00 0.41 H new ATOM 0 HA THR A 4 134.731 -12.019 -18.242 1.00 0.49 H new ATOM 0 HB THR A 4 132.317 -11.818 -19.432 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.363 -13.983 -19.310 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.967 -13.691 -20.925 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.326 -12.598 -20.570 1.00 0.80 H new ATOM 0 HG23 THR A 4 134.211 -14.171 -19.746 1.00 0.80 H new ATOM 54 N TYR A 5 132.796 -9.946 -18.376 1.00 0.48 N ATOM 55 CA TYR A 5 132.324 -8.580 -18.111 1.00 0.46 C ATOM 56 C TYR A 5 131.332 -8.526 -16.945 1.00 0.42 C ATOM 57 O TYR A 5 131.534 -7.770 -15.994 1.00 0.47 O ATOM 58 CB TYR A 5 131.690 -7.979 -19.369 1.00 0.59 C ATOM 59 CG TYR A 5 131.560 -6.471 -19.322 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.656 -5.648 -19.558 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.339 -5.871 -19.043 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.538 -4.271 -19.515 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.212 -4.495 -19.000 1.00 0.90 C ATOM 64 CZ TYR A 5 131.314 -3.698 -19.236 1.00 0.65 C ATOM 65 OH TYR A 5 131.193 -2.326 -19.194 1.00 0.79 O ATOM 0 H TYR A 5 132.769 -10.206 -19.362 1.00 0.48 H new ATOM 0 HA TYR A 5 133.195 -7.989 -17.828 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.290 -8.257 -20.236 1.00 0.59 H new ATOM 0 HB3 TYR A 5 130.702 -8.416 -19.512 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.616 -6.092 -19.779 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.474 -6.490 -18.856 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.400 -3.647 -19.699 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.254 -4.045 -18.783 1.00 0.90 H new ATOM 0 HH TYR A 5 130.266 -2.086 -18.986 1.00 0.79 H new ATOM 75 N GLU A 6 130.257 -9.315 -17.025 1.00 0.48 N ATOM 76 CA GLU A 6 129.232 -9.343 -15.972 1.00 0.50 C ATOM 77 C GLU A 6 129.822 -9.623 -14.580 1.00 0.38 C ATOM 78 O GLU A 6 129.156 -9.402 -13.567 1.00 0.47 O ATOM 79 CB GLU A 6 128.166 -10.392 -16.300 1.00 0.60 C ATOM 80 CG GLU A 6 126.799 -9.796 -16.597 1.00 0.65 C ATOM 81 CD GLU A 6 125.697 -10.837 -16.607 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.119 -11.101 -15.531 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.413 -11.391 -17.690 1.00 1.16 O ATOM 0 H GLU A 6 130.072 -9.943 -17.807 1.00 0.48 H new ATOM 0 HA GLU A 6 128.782 -8.351 -15.942 1.00 0.50 H new ATOM 0 HB2 GLU A 6 128.494 -10.975 -17.161 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.078 -11.083 -15.462 1.00 0.60 H new ATOM 0 HG2 GLU A 6 126.569 -9.036 -15.850 1.00 0.65 H new ATOM 0 HG3 GLU A 6 126.828 -9.294 -17.564 1.00 0.65 H new ATOM 90 N GLU A 7 131.066 -10.104 -14.533 1.00 0.30 N ATOM 91 CA GLU A 7 131.736 -10.398 -13.272 1.00 0.29 C ATOM 92 C GLU A 7 132.719 -9.287 -12.893 1.00 0.28 C ATOM 93 O GLU A 7 132.750 -8.847 -11.745 1.00 0.46 O ATOM 94 CB GLU A 7 132.462 -11.739 -13.362 1.00 0.40 C ATOM 95 CG GLU A 7 132.791 -12.349 -12.008 1.00 0.56 C ATOM 96 CD GLU A 7 134.284 -12.475 -11.772 1.00 0.72 C ATOM 97 OE1 GLU A 7 134.856 -13.523 -12.143 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.881 -11.527 -11.217 1.00 0.81 O ATOM 0 H GLU A 7 131.630 -10.298 -15.361 1.00 0.30 H new ATOM 0 HA GLU A 7 130.977 -10.455 -12.492 1.00 0.29 H new ATOM 0 HB2 GLU A 7 131.845 -12.439 -13.925 1.00 0.40 H new ATOM 0 HB3 GLU A 7 133.386 -11.605 -13.924 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.353 -11.735 -11.221 1.00 0.56 H new ATOM 0 HG3 GLU A 7 132.331 -13.335 -11.936 1.00 0.56 H new ATOM 105 N VAL A 8 133.546 -8.872 -13.860 1.00 0.34 N ATOM 106 CA VAL A 8 134.562 -7.843 -13.632 1.00 0.36 C ATOM 107 C VAL A 8 134.056 -6.688 -12.756 1.00 0.28 C ATOM 108 O VAL A 8 134.720 -6.330 -11.780 1.00 0.39 O ATOM 109 CB VAL A 8 135.143 -7.297 -14.963 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.229 -6.258 -15.593 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.536 -6.724 -14.742 1.00 0.77 C ATOM 0 H VAL A 8 133.529 -9.237 -14.812 1.00 0.34 H new ATOM 0 HA VAL A 8 135.364 -8.339 -13.085 1.00 0.36 H new ATOM 0 HB VAL A 8 135.215 -8.133 -15.658 1.00 0.54 H new ATOM 0 HG11 VAL A 8 134.671 -5.900 -16.523 1.00 0.46 H new ATOM 0 HG12 VAL A 8 133.258 -6.707 -15.802 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.102 -5.421 -14.906 1.00 0.46 H new ATOM 0 HG21 VAL A 8 136.928 -6.346 -15.686 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.484 -5.910 -14.019 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.195 -7.505 -14.363 1.00 0.77 H new ATOM 121 N LEU A 9 132.905 -6.086 -13.095 1.00 0.36 N ATOM 122 CA LEU A 9 132.369 -4.962 -12.319 1.00 0.49 C ATOM 123 C LEU A 9 131.990 -5.365 -10.896 1.00 0.53 C ATOM 124 O LEU A 9 132.153 -4.573 -9.966 1.00 0.73 O ATOM 125 CB LEU A 9 131.149 -4.358 -13.025 1.00 0.66 C ATOM 126 CG LEU A 9 131.386 -3.916 -14.474 1.00 0.65 C ATOM 127 CD1 LEU A 9 130.542 -4.743 -15.434 1.00 0.86 C ATOM 128 CD2 LEU A 9 131.086 -2.431 -14.637 1.00 0.72 C ATOM 0 H LEU A 9 132.333 -6.358 -13.895 1.00 0.36 H new ATOM 0 HA LEU A 9 133.163 -4.218 -12.252 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.342 -5.091 -13.013 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.806 -3.497 -12.451 1.00 0.66 H new ATOM 0 HG LEU A 9 132.436 -4.082 -14.715 1.00 0.65 H new ATOM 0 HD11 LEU A 9 130.725 -4.413 -16.457 1.00 0.86 H new ATOM 0 HD12 LEU A 9 130.809 -5.796 -15.339 1.00 0.86 H new ATOM 0 HD13 LEU A 9 129.487 -4.613 -15.195 1.00 0.86 H new ATOM 0 HD21 LEU A 9 131.260 -2.136 -15.672 1.00 0.72 H new ATOM 0 HD22 LEU A 9 130.045 -2.239 -14.375 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.738 -1.854 -13.981 1.00 0.72 H new ATOM 140 N GLN A 10 131.490 -6.592 -10.722 1.00 0.42 N ATOM 141 CA GLN A 10 131.107 -7.075 -9.396 1.00 0.49 C ATOM 142 C GLN A 10 132.280 -6.942 -8.425 1.00 0.43 C ATOM 143 O GLN A 10 132.114 -6.466 -7.302 1.00 0.50 O ATOM 144 CB GLN A 10 130.640 -8.534 -9.462 1.00 0.60 C ATOM 145 CG GLN A 10 129.149 -8.689 -9.717 1.00 0.69 C ATOM 146 CD GLN A 10 128.302 -8.171 -8.569 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.802 -7.046 -8.610 1.00 1.31 O ATOM 148 NE2 GLN A 10 128.139 -8.989 -7.534 1.00 0.84 N ATOM 0 H GLN A 10 131.343 -7.262 -11.477 1.00 0.42 H new ATOM 0 HA GLN A 10 130.279 -6.464 -9.036 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.190 -9.046 -10.252 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.892 -9.030 -8.525 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.883 -8.155 -10.629 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.921 -9.741 -9.886 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.571 -9.913 -7.541 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.582 -8.693 -6.733 1.00 0.84 H new ATOM 157 N GLU A 11 133.468 -7.360 -8.876 1.00 0.41 N ATOM 158 CA GLU A 11 134.677 -7.281 -8.057 1.00 0.44 C ATOM 159 C GLU A 11 135.086 -5.827 -7.798 1.00 0.40 C ATOM 160 O GLU A 11 135.724 -5.535 -6.785 1.00 0.56 O ATOM 161 CB GLU A 11 135.829 -8.037 -8.732 1.00 0.52 C ATOM 162 CG GLU A 11 136.996 -8.334 -7.800 1.00 0.63 C ATOM 163 CD GLU A 11 138.329 -8.369 -8.524 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.640 -9.404 -9.153 1.00 1.64 O ATOM 165 OE2 GLU A 11 139.063 -7.361 -8.461 1.00 1.54 O ATOM 0 H GLU A 11 133.615 -7.756 -9.804 1.00 0.41 H new ATOM 0 HA GLU A 11 134.456 -7.746 -7.096 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.449 -8.976 -9.134 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.190 -7.451 -9.577 1.00 0.52 H new ATOM 0 HG2 GLU A 11 137.032 -7.577 -7.017 1.00 0.63 H new ATOM 0 HG3 GLU A 11 136.829 -9.293 -7.309 1.00 0.63 H new ATOM 172 N LEU A 12 134.715 -4.913 -8.707 1.00 0.34 N ATOM 173 CA LEU A 12 135.051 -3.494 -8.547 1.00 0.34 C ATOM 174 C LEU A 12 134.340 -2.917 -7.324 1.00 0.31 C ATOM 175 O LEU A 12 134.993 -2.619 -6.327 1.00 0.39 O ATOM 176 CB LEU A 12 134.681 -2.709 -9.818 1.00 0.36 C ATOM 177 CG LEU A 12 135.294 -1.306 -9.956 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.556 -0.300 -9.083 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.777 -1.325 -9.614 1.00 0.59 C ATOM 0 H LEU A 12 134.187 -5.130 -9.552 1.00 0.34 H new ATOM 0 HA LEU A 12 136.126 -3.403 -8.392 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.980 -3.300 -10.684 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.596 -2.613 -9.857 1.00 0.36 H new ATOM 0 HG LEU A 12 135.187 -0.996 -10.996 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.010 0.684 -9.199 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.510 -0.255 -9.385 1.00 0.65 H new ATOM 0 HD13 LEU A 12 134.620 -0.608 -8.039 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.188 -0.321 -9.719 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.909 -1.665 -8.587 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.298 -2.003 -10.291 1.00 0.59 H new ATOM 191 N VAL A 13 133.008 -2.738 -7.398 1.00 0.26 N ATOM 192 CA VAL A 13 132.242 -2.180 -6.280 1.00 0.26 C ATOM 193 C VAL A 13 132.678 -2.777 -4.940 1.00 0.22 C ATOM 194 O VAL A 13 132.787 -2.054 -3.952 1.00 0.24 O ATOM 195 CB VAL A 13 130.717 -2.374 -6.484 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.299 -3.815 -6.220 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.932 -1.410 -5.605 1.00 0.53 C ATOM 0 H VAL A 13 132.447 -2.972 -8.217 1.00 0.26 H new ATOM 0 HA VAL A 13 132.452 -1.111 -6.258 1.00 0.26 H new ATOM 0 HB VAL A 13 130.488 -2.152 -7.526 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.224 -3.916 -6.372 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.826 -4.478 -6.906 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.547 -4.083 -5.193 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.864 -1.561 -5.762 1.00 0.53 H new ATOM 0 HG22 VAL A 13 130.174 -1.593 -4.558 1.00 0.53 H new ATOM 0 HG23 VAL A 13 130.195 -0.385 -5.864 1.00 0.53 H new ATOM 207 N LYS A 14 132.948 -4.089 -4.912 1.00 0.24 N ATOM 208 CA LYS A 14 133.401 -4.745 -3.684 1.00 0.23 C ATOM 209 C LYS A 14 134.529 -3.921 -3.055 1.00 0.21 C ATOM 210 O LYS A 14 134.456 -3.550 -1.886 1.00 0.28 O ATOM 211 CB LYS A 14 133.865 -6.174 -3.972 1.00 0.30 C ATOM 212 CG LYS A 14 132.839 -7.232 -3.593 1.00 0.84 C ATOM 213 CD LYS A 14 133.275 -8.619 -4.039 1.00 0.68 C ATOM 214 CE LYS A 14 133.648 -9.497 -2.853 1.00 0.73 C ATOM 215 NZ LYS A 14 133.148 -10.891 -3.013 1.00 0.75 N ATOM 0 H LYS A 14 132.861 -4.709 -5.717 1.00 0.24 H new ATOM 0 HA LYS A 14 132.569 -4.804 -2.982 1.00 0.23 H new ATOM 0 HB2 LYS A 14 134.095 -6.266 -5.033 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.790 -6.364 -3.427 1.00 0.30 H new ATOM 0 HG2 LYS A 14 132.691 -7.226 -2.513 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.879 -6.988 -4.048 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.470 -9.090 -4.603 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.128 -8.534 -4.712 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.732 -9.511 -2.739 1.00 0.73 H new ATOM 0 HE3 LYS A 14 133.237 -9.067 -1.940 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.423 -11.456 -2.184 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.111 -10.881 -3.096 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.560 -11.311 -3.871 1.00 0.75 H new ATOM 229 N HIS A 15 135.550 -3.608 -3.861 1.00 0.25 N ATOM 230 CA HIS A 15 136.679 -2.788 -3.410 1.00 0.27 C ATOM 231 C HIS A 15 136.178 -1.394 -3.028 1.00 0.23 C ATOM 232 O HIS A 15 136.471 -0.887 -1.944 1.00 0.43 O ATOM 233 CB HIS A 15 137.733 -2.676 -4.524 1.00 0.33 C ATOM 234 CG HIS A 15 138.305 -3.994 -4.940 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.379 -4.120 -5.796 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.940 -5.251 -4.610 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.648 -5.400 -5.970 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.785 -6.111 -5.264 1.00 0.72 N ATOM 0 H HIS A 15 135.617 -3.912 -4.832 1.00 0.25 H new ATOM 0 HA HIS A 15 137.137 -3.260 -2.541 1.00 0.27 H new ATOM 0 HB2 HIS A 15 137.283 -2.194 -5.392 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.542 -2.029 -4.184 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.130 -5.529 -3.951 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.440 -5.800 -6.586 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.753 -7.129 -5.214 1.00 0.72 H new ATOM 247 N LYS A 16 135.417 -0.795 -3.944 1.00 0.21 N ATOM 248 CA LYS A 16 134.844 0.539 -3.749 1.00 0.25 C ATOM 249 C LYS A 16 134.199 0.673 -2.361 1.00 0.32 C ATOM 250 O LYS A 16 134.577 1.545 -1.576 1.00 0.62 O ATOM 251 CB LYS A 16 133.816 0.828 -4.845 1.00 0.37 C ATOM 252 CG LYS A 16 134.011 2.175 -5.518 1.00 0.50 C ATOM 253 CD LYS A 16 133.603 2.135 -6.983 1.00 0.57 C ATOM 254 CE LYS A 16 132.823 3.380 -7.379 1.00 0.59 C ATOM 255 NZ LYS A 16 131.376 3.265 -7.038 1.00 0.66 N ATOM 0 H LYS A 16 135.180 -1.219 -4.841 1.00 0.21 H new ATOM 0 HA LYS A 16 135.650 1.270 -3.811 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.870 0.043 -5.599 1.00 0.37 H new ATOM 0 HB3 LYS A 16 132.816 0.788 -4.414 1.00 0.37 H new ATOM 0 HG2 LYS A 16 133.423 2.931 -4.997 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.056 2.474 -5.439 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.492 2.048 -7.607 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.995 1.249 -7.168 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.246 4.249 -6.875 1.00 0.59 H new ATOM 0 HE3 LYS A 16 132.931 3.550 -8.450 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 130.882 4.134 -7.324 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 130.965 2.452 -7.539 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.271 3.129 -6.012 1.00 0.66 H new ATOM 269 N GLU A 17 133.226 -0.195 -2.066 1.00 0.32 N ATOM 270 CA GLU A 17 132.532 -0.177 -0.774 1.00 0.39 C ATOM 271 C GLU A 17 133.444 -0.648 0.368 1.00 0.32 C ATOM 272 O GLU A 17 133.206 -0.318 1.531 1.00 0.40 O ATOM 273 CB GLU A 17 131.272 -1.050 -0.833 1.00 0.51 C ATOM 274 CG GLU A 17 131.564 -2.533 -1.015 1.00 0.80 C ATOM 275 CD GLU A 17 130.416 -3.284 -1.665 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.231 -3.131 -2.898 1.00 1.43 O ATOM 277 OE2 GLU A 17 129.707 -4.027 -0.944 1.00 1.47 O ATOM 0 H GLU A 17 132.901 -0.920 -2.705 1.00 0.32 H new ATOM 0 HA GLU A 17 132.246 0.855 -0.570 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.701 -0.911 0.085 1.00 0.51 H new ATOM 0 HB3 GLU A 17 130.642 -0.709 -1.655 1.00 0.51 H new ATOM 0 HG2 GLU A 17 132.460 -2.650 -1.625 1.00 0.80 H new ATOM 0 HG3 GLU A 17 131.779 -2.978 -0.044 1.00 0.80 H new ATOM 284 N LEU A 18 134.496 -1.403 0.031 1.00 0.32 N ATOM 285 CA LEU A 18 135.444 -1.895 1.036 1.00 0.34 C ATOM 286 C LEU A 18 136.212 -0.734 1.667 1.00 0.33 C ATOM 287 O LEU A 18 136.583 -0.791 2.841 1.00 0.66 O ATOM 288 CB LEU A 18 136.422 -2.900 0.418 1.00 0.53 C ATOM 289 CG LEU A 18 136.030 -4.370 0.580 1.00 0.67 C ATOM 290 CD1 LEU A 18 137.025 -5.270 -0.140 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.937 -4.739 2.056 1.00 0.79 C ATOM 0 H LEU A 18 134.711 -1.685 -0.925 1.00 0.32 H new ATOM 0 HA LEU A 18 134.874 -2.401 1.815 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.520 -2.681 -0.645 1.00 0.53 H new ATOM 0 HB3 LEU A 18 137.404 -2.750 0.866 1.00 0.53 H new ATOM 0 HG LEU A 18 135.049 -4.518 0.129 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.730 -6.312 -0.014 1.00 0.86 H new ATOM 0 HD12 LEU A 18 137.038 -5.022 -1.201 1.00 0.86 H new ATOM 0 HD13 LEU A 18 138.020 -5.121 0.279 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.657 -5.788 2.152 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.903 -4.576 2.533 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.184 -4.117 2.540 1.00 0.79 H new ATOM 303 N LEU A 19 136.426 0.329 0.885 1.00 0.43 N ATOM 304 CA LEU A 19 137.124 1.519 1.368 1.00 0.44 C ATOM 305 C LEU A 19 136.143 2.453 2.086 1.00 0.30 C ATOM 306 O LEU A 19 136.523 3.175 3.010 1.00 0.45 O ATOM 307 CB LEU A 19 137.801 2.252 0.205 1.00 0.57 C ATOM 308 CG LEU A 19 139.179 1.708 -0.192 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.414 1.877 -1.686 1.00 0.88 C ATOM 310 CD2 LEU A 19 140.278 2.400 0.603 1.00 0.94 C ATOM 0 H LEU A 19 136.124 0.387 -0.087 1.00 0.43 H new ATOM 0 HA LEU A 19 137.893 1.208 2.075 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.145 2.206 -0.664 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.905 3.304 0.470 1.00 0.57 H new ATOM 0 HG LEU A 19 139.205 0.643 0.040 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.397 1.485 -1.946 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.648 1.333 -2.239 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.365 2.935 -1.945 1.00 0.88 H new ATOM 0 HD21 LEU A 19 141.248 2.000 0.307 1.00 0.94 H new ATOM 0 HD22 LEU A 19 140.251 3.471 0.404 1.00 0.94 H new ATOM 0 HD23 LEU A 19 140.123 2.224 1.667 1.00 0.94 H new ATOM 322 N ARG A 20 134.870 2.410 1.666 1.00 0.32 N ATOM 323 CA ARG A 20 133.830 3.231 2.286 1.00 0.50 C ATOM 324 C ARG A 20 133.600 2.765 3.721 1.00 0.40 C ATOM 325 O ARG A 20 133.804 3.526 4.668 1.00 0.47 O ATOM 326 CB ARG A 20 132.525 3.153 1.485 1.00 0.78 C ATOM 327 CG ARG A 20 132.457 4.146 0.336 1.00 0.89 C ATOM 328 CD ARG A 20 131.023 4.542 0.025 1.00 0.98 C ATOM 329 NE ARG A 20 130.950 5.785 -0.743 1.00 1.06 N ATOM 330 CZ ARG A 20 129.827 6.480 -0.934 1.00 1.17 C ATOM 331 NH1 ARG A 20 128.676 6.061 -0.412 1.00 1.74 N ATOM 332 NH2 ARG A 20 129.854 7.599 -1.650 1.00 1.60 N ATOM 0 H ARG A 20 134.541 1.818 0.904 1.00 0.32 H new ATOM 0 HA ARG A 20 134.159 4.270 2.293 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.411 2.144 1.089 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.685 3.329 2.157 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.035 5.035 0.588 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.915 3.709 -0.551 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.540 3.741 -0.535 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.469 4.659 0.957 1.00 0.98 H new ATOM 0 HE ARG A 20 131.810 6.142 -1.158 1.00 1.06 H new ATOM 0 HH11 ARG A 20 128.648 5.203 0.139 1.00 1.74 H new ATOM 0 HH12 ARG A 20 127.822 6.598 -0.563 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.732 7.926 -2.053 1.00 1.60 H new ATOM 0 HH22 ARG A 20 128.996 8.131 -1.797 1.00 1.60 H new ATOM 346 N ARG A 21 133.183 1.504 3.868 1.00 0.36 N ATOM 347 CA ARG A 21 132.935 0.918 5.185 1.00 0.37 C ATOM 348 C ARG A 21 134.153 1.083 6.094 1.00 0.35 C ATOM 349 O ARG A 21 134.008 1.375 7.280 1.00 0.49 O ATOM 350 CB ARG A 21 132.579 -0.565 5.056 1.00 0.47 C ATOM 351 CG ARG A 21 131.229 -0.921 5.658 1.00 0.71 C ATOM 352 CD ARG A 21 131.349 -2.046 6.676 1.00 0.94 C ATOM 353 NE ARG A 21 131.134 -3.362 6.073 1.00 0.95 N ATOM 354 CZ ARG A 21 130.941 -4.484 6.773 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.947 -4.462 8.105 1.00 2.03 N ATOM 356 NH2 ARG A 21 130.744 -5.634 6.137 1.00 1.50 N ATOM 0 H ARG A 21 133.010 0.870 3.088 1.00 0.36 H new ATOM 0 HA ARG A 21 132.093 1.446 5.633 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.581 -0.840 4.001 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.353 -1.159 5.542 1.00 0.47 H new ATOM 0 HG2 ARG A 21 130.800 -0.041 6.137 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.543 -1.219 4.865 1.00 0.71 H new ATOM 0 HD2 ARG A 21 132.338 -2.015 7.134 1.00 0.94 H new ATOM 0 HD3 ARG A 21 130.623 -1.891 7.474 1.00 0.94 H new ATOM 0 HE ARG A 21 131.131 -3.427 5.055 1.00 0.95 H new ATOM 0 HH11 ARG A 21 131.100 -3.583 8.600 1.00 2.03 H new ATOM 0 HH12 ARG A 21 130.799 -5.324 8.630 1.00 2.03 H new ATOM 0 HH21 ARG A 21 130.740 -5.659 5.117 1.00 1.50 H new ATOM 0 HH22 ARG A 21 130.596 -6.492 6.669 1.00 1.50 H new ATOM 370 N LYS A 22 135.351 0.891 5.527 1.00 0.33 N ATOM 371 CA LYS A 22 136.603 1.018 6.279 1.00 0.41 C ATOM 372 C LYS A 22 136.635 2.307 7.104 1.00 0.34 C ATOM 373 O LYS A 22 137.090 2.304 8.249 1.00 0.36 O ATOM 374 CB LYS A 22 137.800 0.983 5.323 1.00 0.56 C ATOM 375 CG LYS A 22 138.921 0.063 5.781 1.00 0.77 C ATOM 376 CD LYS A 22 139.862 -0.286 4.636 1.00 0.95 C ATOM 377 CE LYS A 22 141.052 0.663 4.580 1.00 0.76 C ATOM 378 NZ LYS A 22 142.077 0.339 5.615 1.00 0.71 N ATOM 0 H LYS A 22 135.478 0.646 4.545 1.00 0.33 H new ATOM 0 HA LYS A 22 136.663 0.175 6.967 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.458 0.663 4.339 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.194 1.993 5.211 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.483 0.544 6.581 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.496 -0.851 6.195 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.217 -1.310 4.755 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.318 -0.245 3.692 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.508 0.614 3.591 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.706 1.687 4.721 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.869 1.009 5.541 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.650 0.410 6.561 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.427 -0.629 5.466 1.00 0.71 H new ATOM 392 N ASP A 23 136.140 3.402 6.522 1.00 0.34 N ATOM 393 CA ASP A 23 136.104 4.689 7.215 1.00 0.32 C ATOM 394 C ASP A 23 134.938 4.736 8.202 1.00 0.29 C ATOM 395 O ASP A 23 135.069 5.279 9.297 1.00 0.34 O ATOM 396 CB ASP A 23 135.991 5.841 6.214 1.00 0.37 C ATOM 397 CG ASP A 23 137.316 6.543 5.989 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.640 7.466 6.767 1.00 1.15 O ATOM 399 OD2 ASP A 23 138.032 6.169 5.036 1.00 1.17 O ATOM 0 H ASP A 23 135.760 3.422 5.576 1.00 0.34 H new ATOM 0 HA ASP A 23 137.036 4.800 7.769 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.620 5.458 5.263 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.258 6.562 6.575 1.00 0.37 H new ATOM 404 N THR A 24 133.805 4.149 7.810 1.00 0.27 N ATOM 405 CA THR A 24 132.617 4.105 8.663 1.00 0.28 C ATOM 406 C THR A 24 132.847 3.202 9.886 1.00 0.27 C ATOM 407 O THR A 24 132.135 3.308 10.885 1.00 0.32 O ATOM 408 CB THR A 24 131.409 3.610 7.856 1.00 0.31 C ATOM 409 OG1 THR A 24 131.184 4.439 6.727 1.00 0.52 O ATOM 410 CG2 THR A 24 130.124 3.568 8.657 1.00 0.53 C ATOM 0 H THR A 24 133.686 3.696 6.904 1.00 0.27 H new ATOM 0 HA THR A 24 132.417 5.114 9.023 1.00 0.28 H new ATOM 0 HB THR A 24 131.663 2.593 7.557 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.411 4.106 6.225 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.312 3.209 8.024 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.246 2.896 9.506 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.887 4.569 9.018 1.00 0.53 H new ATOM 418 N HIS A 25 133.855 2.329 9.801 1.00 0.27 N ATOM 419 CA HIS A 25 134.191 1.423 10.901 1.00 0.31 C ATOM 420 C HIS A 25 134.984 2.161 11.975 1.00 0.33 C ATOM 421 O HIS A 25 134.723 2.001 13.167 1.00 0.43 O ATOM 422 CB HIS A 25 134.985 0.217 10.387 1.00 0.37 C ATOM 423 CG HIS A 25 134.543 -1.086 10.976 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.897 -1.500 12.244 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.770 -2.074 10.464 1.00 0.92 C ATOM 426 CE1 HIS A 25 134.362 -2.684 12.485 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.673 -3.053 11.421 1.00 0.75 N ATOM 0 H HIS A 25 134.453 2.231 8.980 1.00 0.27 H new ATOM 0 HA HIS A 25 133.262 1.060 11.341 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.891 0.166 9.302 1.00 0.37 H new ATOM 0 HB3 HIS A 25 136.042 0.367 10.609 1.00 0.37 H new ATOM 0 HD2 HIS A 25 133.315 -2.088 9.485 1.00 0.92 H new ATOM 0 HE1 HIS A 25 134.470 -3.253 13.397 1.00 0.79 H new ATOM 0 HE2 HIS A 25 133.153 -3.925 11.326 1.00 0.75 H new ATOM 436 N ILE A 26 135.931 2.995 11.545 1.00 0.31 N ATOM 437 CA ILE A 26 136.727 3.787 12.478 1.00 0.35 C ATOM 438 C ILE A 26 135.890 4.958 12.999 1.00 0.34 C ATOM 439 O ILE A 26 136.051 5.393 14.140 1.00 0.46 O ATOM 440 CB ILE A 26 138.027 4.324 11.834 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.722 5.129 10.566 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.976 3.176 11.521 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.897 5.941 10.065 1.00 0.68 C ATOM 0 H ILE A 26 136.164 3.138 10.562 1.00 0.31 H new ATOM 0 HA ILE A 26 137.016 3.132 13.300 1.00 0.35 H new ATOM 0 HB ILE A 26 138.509 4.991 12.548 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.403 4.445 9.780 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.886 5.800 10.764 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.886 3.569 11.068 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.227 2.650 12.442 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.495 2.485 10.828 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.607 6.484 9.165 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.203 6.650 10.834 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.728 5.274 9.834 1.00 0.68 H new ATOM 455 N ARG A 27 134.976 5.436 12.146 1.00 0.29 N ATOM 456 CA ARG A 27 134.079 6.533 12.496 1.00 0.35 C ATOM 457 C ARG A 27 133.031 6.063 13.506 1.00 0.34 C ATOM 458 O ARG A 27 132.743 6.762 14.479 1.00 0.39 O ATOM 459 CB ARG A 27 133.395 7.092 11.245 1.00 0.44 C ATOM 460 CG ARG A 27 133.219 8.601 11.275 1.00 0.52 C ATOM 461 CD ARG A 27 132.414 9.092 10.082 1.00 0.81 C ATOM 462 NE ARG A 27 131.549 10.219 10.430 1.00 0.91 N ATOM 463 CZ ARG A 27 130.384 10.100 11.075 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.934 8.903 11.446 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.667 11.184 11.350 1.00 1.68 N ATOM 0 H ARG A 27 134.841 5.074 11.202 1.00 0.29 H new ATOM 0 HA ARG A 27 134.671 7.328 12.950 1.00 0.35 H new ATOM 0 HB2 ARG A 27 133.981 6.820 10.367 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.418 6.622 11.134 1.00 0.44 H new ATOM 0 HG2 ARG A 27 132.717 8.892 12.198 1.00 0.52 H new ATOM 0 HG3 ARG A 27 134.197 9.082 11.278 1.00 0.52 H new ATOM 0 HD2 ARG A 27 133.094 9.390 9.284 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.806 8.275 9.694 1.00 0.81 H new ATOM 0 HE ARG A 27 131.854 11.155 10.164 1.00 0.91 H new ATOM 0 HH11 ARG A 27 130.479 8.066 11.239 1.00 1.19 H new ATOM 0 HH12 ARG A 27 129.044 8.823 11.938 1.00 1.19 H new ATOM 0 HH21 ARG A 27 130.006 12.104 11.069 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.778 11.096 11.842 1.00 1.68 H new ATOM 479 N GLU A 28 132.476 4.866 13.276 1.00 0.33 N ATOM 480 CA GLU A 28 131.474 4.299 14.179 1.00 0.38 C ATOM 481 C GLU A 28 132.095 3.976 15.538 1.00 0.37 C ATOM 482 O GLU A 28 131.417 4.032 16.567 1.00 0.47 O ATOM 483 CB GLU A 28 130.823 3.050 13.570 1.00 0.48 C ATOM 484 CG GLU A 28 131.709 1.814 13.578 1.00 0.81 C ATOM 485 CD GLU A 28 131.395 0.874 14.726 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.310 0.254 14.709 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.236 0.754 15.642 1.00 1.85 O ATOM 0 H GLU A 28 132.704 4.276 12.476 1.00 0.33 H new ATOM 0 HA GLU A 28 130.693 5.046 14.325 1.00 0.38 H new ATOM 0 HB2 GLU A 28 129.907 2.829 14.117 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.535 3.270 12.542 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.590 1.281 12.635 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.753 2.121 13.641 1.00 0.81 H new ATOM 494 N LEU A 29 133.390 3.649 15.537 1.00 0.34 N ATOM 495 CA LEU A 29 134.107 3.335 16.770 1.00 0.38 C ATOM 496 C LEU A 29 134.366 4.612 17.566 1.00 0.42 C ATOM 497 O LEU A 29 134.057 4.678 18.754 1.00 0.80 O ATOM 498 CB LEU A 29 135.433 2.636 16.455 1.00 0.48 C ATOM 499 CG LEU A 29 135.662 1.310 17.186 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.216 0.137 16.323 1.00 0.84 C ATOM 501 CD2 LEU A 29 137.127 1.161 17.576 1.00 0.58 C ATOM 0 H LEU A 29 133.962 3.596 14.694 1.00 0.34 H new ATOM 0 HA LEU A 29 133.492 2.662 17.368 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.483 2.454 15.382 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.250 3.314 16.702 1.00 0.48 H new ATOM 0 HG LEU A 29 135.062 1.312 18.096 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.387 -0.796 16.860 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.155 0.235 16.096 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.787 0.131 15.394 1.00 0.84 H new ATOM 0 HD21 LEU A 29 137.271 0.213 18.094 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.746 1.182 16.679 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.414 1.981 18.234 1.00 0.58 H new ATOM 513 N GLU A 30 134.943 5.619 16.892 1.00 0.42 N ATOM 514 CA GLU A 30 135.259 6.914 17.511 1.00 0.46 C ATOM 515 C GLU A 30 134.143 7.389 18.447 1.00 0.46 C ATOM 516 O GLU A 30 134.417 7.987 19.489 1.00 0.61 O ATOM 517 CB GLU A 30 135.504 7.974 16.429 1.00 0.51 C ATOM 518 CG GLU A 30 136.860 7.871 15.736 1.00 0.57 C ATOM 519 CD GLU A 30 137.887 7.087 16.536 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.512 7.681 17.439 1.00 1.24 O ATOM 521 OE2 GLU A 30 138.065 5.882 16.257 1.00 1.33 O ATOM 0 H GLU A 30 135.202 5.558 15.907 1.00 0.42 H new ATOM 0 HA GLU A 30 136.162 6.776 18.105 1.00 0.46 H new ATOM 0 HB2 GLU A 30 134.719 7.895 15.677 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.415 8.962 16.880 1.00 0.51 H new ATOM 0 HG2 GLU A 30 136.728 7.396 14.764 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.243 8.875 15.551 1.00 0.57 H new ATOM 528 N ASP A 31 132.889 7.111 18.077 1.00 0.43 N ATOM 529 CA ASP A 31 131.743 7.501 18.896 1.00 0.58 C ATOM 530 C ASP A 31 131.785 6.782 20.244 1.00 0.59 C ATOM 531 O ASP A 31 131.770 7.419 21.298 1.00 0.78 O ATOM 532 CB ASP A 31 130.431 7.182 18.171 1.00 0.71 C ATOM 533 CG ASP A 31 129.881 8.384 17.423 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.259 8.575 16.247 1.00 1.73 O ATOM 535 OD2 ASP A 31 129.073 9.134 18.013 1.00 1.65 O ATOM 0 H ASP A 31 132.645 6.619 17.218 1.00 0.43 H new ATOM 0 HA ASP A 31 131.794 8.576 19.068 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.595 6.364 17.470 1.00 0.71 H new ATOM 0 HB3 ASP A 31 129.692 6.838 18.895 1.00 0.71 H new ATOM 540 N TYR A 32 131.839 5.449 20.191 1.00 0.51 N ATOM 541 CA TYR A 32 131.887 4.622 21.399 1.00 0.56 C ATOM 542 C TYR A 32 133.085 4.977 22.281 1.00 0.55 C ATOM 543 O TYR A 32 132.996 4.907 23.507 1.00 0.64 O ATOM 544 CB TYR A 32 131.940 3.131 21.037 1.00 0.61 C ATOM 545 CG TYR A 32 130.862 2.694 20.069 1.00 0.70 C ATOM 546 CD1 TYR A 32 129.544 3.105 20.231 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.164 1.870 18.993 1.00 0.98 C ATOM 548 CE1 TYR A 32 128.559 2.709 19.347 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.185 1.470 18.104 1.00 1.19 C ATOM 550 CZ TYR A 32 128.885 1.892 18.285 1.00 1.23 C ATOM 551 OH TYR A 32 127.907 1.495 17.401 1.00 1.55 O ATOM 0 H TYR A 32 131.851 4.918 19.320 1.00 0.51 H new ATOM 0 HA TYR A 32 130.975 4.825 21.961 1.00 0.56 H new ATOM 0 HB2 TYR A 32 132.915 2.907 20.604 1.00 0.61 H new ATOM 0 HB3 TYR A 32 131.854 2.543 21.950 1.00 0.61 H new ATOM 0 HD1 TYR A 32 129.286 3.745 21.062 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.181 1.536 18.849 1.00 0.98 H new ATOM 0 HE1 TYR A 32 127.540 3.037 19.487 1.00 1.38 H new ATOM 0 HE2 TYR A 32 130.437 0.830 17.271 1.00 1.19 H new ATOM 0 HH TYR A 32 128.303 0.923 16.710 1.00 1.55 H new ATOM 561 N ILE A 33 134.205 5.353 21.658 1.00 0.53 N ATOM 562 CA ILE A 33 135.409 5.704 22.416 1.00 0.62 C ATOM 563 C ILE A 33 135.419 7.170 22.850 1.00 0.58 C ATOM 564 O ILE A 33 136.247 7.560 23.677 1.00 0.77 O ATOM 565 CB ILE A 33 136.728 5.401 21.653 1.00 0.75 C ATOM 566 CG1 ILE A 33 136.466 4.980 20.199 1.00 0.82 C ATOM 567 CG2 ILE A 33 137.505 4.323 22.393 1.00 0.94 C ATOM 568 CD1 ILE A 33 137.720 4.825 19.363 1.00 0.85 C ATOM 0 H ILE A 33 134.304 5.422 20.645 1.00 0.53 H new ATOM 0 HA ILE A 33 135.368 5.065 23.298 1.00 0.62 H new ATOM 0 HB ILE A 33 137.319 6.316 21.617 1.00 0.75 H new ATOM 0 HG12 ILE A 33 135.923 4.035 20.198 1.00 0.82 H new ATOM 0 HG13 ILE A 33 135.818 5.720 19.729 1.00 0.82 H new ATOM 0 HG21 ILE A 33 138.431 4.110 21.858 1.00 0.94 H new ATOM 0 HG22 ILE A 33 137.739 4.669 23.400 1.00 0.94 H new ATOM 0 HG23 ILE A 33 136.903 3.416 22.452 1.00 0.94 H new ATOM 0 HD11 ILE A 33 137.448 4.526 18.351 1.00 0.85 H new ATOM 0 HD12 ILE A 33 138.255 5.774 19.330 1.00 0.85 H new ATOM 0 HD13 ILE A 33 138.361 4.063 19.806 1.00 0.85 H new ATOM 580 N ASP A 34 134.509 7.988 22.309 1.00 0.49 N ATOM 581 CA ASP A 34 134.443 9.403 22.669 1.00 0.54 C ATOM 582 C ASP A 34 133.934 9.599 24.097 1.00 0.44 C ATOM 583 O ASP A 34 134.294 10.571 24.749 1.00 0.47 O ATOM 584 CB ASP A 34 133.544 10.160 21.688 1.00 0.75 C ATOM 585 CG ASP A 34 134.228 11.382 21.110 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.235 12.434 21.786 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.763 11.286 19.984 1.00 1.49 O ATOM 0 H ASP A 34 133.813 7.694 21.624 1.00 0.49 H new ATOM 0 HA ASP A 34 135.456 9.803 22.615 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.251 9.493 20.878 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.629 10.464 22.197 1.00 0.75 H new ATOM 592 N ASN A 35 133.103 8.668 24.578 1.00 0.53 N ATOM 593 CA ASN A 35 132.559 8.740 25.936 1.00 0.57 C ATOM 594 C ASN A 35 133.688 8.883 26.951 1.00 0.47 C ATOM 595 O ASN A 35 133.566 9.622 27.928 1.00 0.58 O ATOM 596 CB ASN A 35 131.726 7.495 26.254 1.00 0.74 C ATOM 597 CG ASN A 35 130.485 7.388 25.387 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.480 8.056 25.636 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.547 6.542 24.362 1.00 1.32 N ATOM 0 H ASN A 35 132.793 7.855 24.045 1.00 0.53 H new ATOM 0 HA ASN A 35 131.912 9.615 25.997 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.340 6.606 26.114 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.431 7.517 27.303 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.742 6.427 23.746 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.399 6.008 24.192 1.00 1.32 H new ATOM 606 N LEU A 36 134.800 8.192 26.694 1.00 0.42 N ATOM 607 CA LEU A 36 135.967 8.266 27.566 1.00 0.47 C ATOM 608 C LEU A 36 136.485 9.703 27.605 1.00 0.42 C ATOM 609 O LEU A 36 136.844 10.215 28.667 1.00 0.53 O ATOM 610 CB LEU A 36 137.080 7.325 27.083 1.00 0.66 C ATOM 611 CG LEU A 36 136.625 5.944 26.591 1.00 0.85 C ATOM 612 CD1 LEU A 36 137.815 5.149 26.072 1.00 1.04 C ATOM 613 CD2 LEU A 36 135.913 5.178 27.703 1.00 1.66 C ATOM 0 H LEU A 36 134.914 7.576 25.889 1.00 0.42 H new ATOM 0 HA LEU A 36 135.669 7.954 28.567 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.620 7.818 26.274 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.789 7.183 27.899 1.00 0.66 H new ATOM 0 HG LEU A 36 135.919 6.088 25.773 1.00 0.85 H new ATOM 0 HD11 LEU A 36 137.477 4.172 25.727 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.278 5.686 25.244 1.00 1.04 H new ATOM 0 HD13 LEU A 36 138.543 5.019 26.873 1.00 1.04 H new ATOM 0 HD21 LEU A 36 135.600 4.203 27.330 1.00 1.66 H new ATOM 0 HD22 LEU A 36 136.592 5.044 28.545 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.038 5.740 28.029 1.00 1.66 H new ATOM 625 N LEU A 37 136.499 10.350 26.434 1.00 0.36 N ATOM 626 CA LEU A 37 136.946 11.735 26.322 1.00 0.40 C ATOM 627 C LEU A 37 135.821 12.618 25.773 1.00 0.32 C ATOM 628 O LEU A 37 135.966 13.273 24.734 1.00 0.42 O ATOM 629 CB LEU A 37 138.193 11.820 25.436 1.00 0.56 C ATOM 630 CG LEU A 37 138.075 11.133 24.071 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.708 11.989 22.983 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.719 9.754 24.112 1.00 0.63 C ATOM 0 H LEU A 37 136.205 9.932 25.551 1.00 0.36 H new ATOM 0 HA LEU A 37 137.208 12.101 27.315 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.434 12.871 25.276 1.00 0.56 H new ATOM 0 HB3 LEU A 37 139.032 11.379 25.975 1.00 0.56 H new ATOM 0 HG LEU A 37 137.017 11.012 23.837 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.614 11.484 22.022 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.201 12.953 22.938 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.763 12.144 23.210 1.00 0.73 H new ATOM 0 HD21 LEU A 37 138.626 9.280 23.135 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.774 9.852 24.369 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.219 9.141 24.862 1.00 0.63 H new ATOM 644 N VAL A 38 134.702 12.613 26.510 1.00 0.29 N ATOM 645 CA VAL A 38 133.494 13.385 26.191 1.00 0.41 C ATOM 646 C VAL A 38 132.409 13.053 27.223 1.00 0.38 C ATOM 647 O VAL A 38 132.589 12.133 28.024 1.00 0.61 O ATOM 648 CB VAL A 38 132.976 13.106 24.751 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.837 12.091 24.741 1.00 0.97 C ATOM 650 CG2 VAL A 38 132.541 14.404 24.086 1.00 0.99 C ATOM 0 H VAL A 38 134.610 12.060 27.362 1.00 0.29 H new ATOM 0 HA VAL A 38 133.745 14.445 26.232 1.00 0.41 H new ATOM 0 HB VAL A 38 133.800 12.674 24.183 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.506 11.926 23.716 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.185 11.149 25.166 1.00 0.97 H new ATOM 0 HG13 VAL A 38 131.005 12.471 25.334 1.00 0.97 H new ATOM 0 HG21 VAL A 38 132.181 14.194 23.079 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.742 14.862 24.669 1.00 0.99 H new ATOM 0 HG23 VAL A 38 133.388 15.087 24.033 1.00 0.99 H new ATOM 660 N ARG A 39 131.291 13.784 27.227 1.00 0.44 N ATOM 661 CA ARG A 39 130.220 13.521 28.190 1.00 0.47 C ATOM 662 C ARG A 39 129.649 12.113 28.017 1.00 0.53 C ATOM 663 O ARG A 39 129.294 11.708 26.909 1.00 0.86 O ATOM 664 CB ARG A 39 129.099 14.555 28.033 1.00 0.59 C ATOM 665 CG ARG A 39 128.074 14.522 29.158 1.00 0.75 C ATOM 666 CD ARG A 39 126.711 15.018 28.694 1.00 0.97 C ATOM 667 NE ARG A 39 126.714 16.452 28.391 1.00 0.93 N ATOM 668 CZ ARG A 39 126.631 17.419 29.310 1.00 1.00 C ATOM 669 NH1 ARG A 39 126.524 17.123 30.604 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.650 18.693 28.931 1.00 1.48 N ATOM 0 H ARG A 39 131.105 14.553 26.583 1.00 0.44 H new ATOM 0 HA ARG A 39 130.647 13.597 29.190 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.540 15.551 27.984 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.590 14.385 27.084 1.00 0.59 H new ATOM 0 HG2 ARG A 39 127.981 13.504 29.536 1.00 0.75 H new ATOM 0 HG3 ARG A 39 128.423 15.139 29.986 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.407 14.462 27.807 1.00 0.97 H new ATOM 0 HD3 ARG A 39 125.970 14.814 29.467 1.00 0.97 H new ATOM 0 HE ARG A 39 126.784 16.731 27.412 1.00 0.93 H new ATOM 0 HH11 ARG A 39 126.505 16.148 30.904 1.00 1.27 H new ATOM 0 HH12 ARG A 39 126.462 17.871 31.295 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.728 18.930 27.942 1.00 1.48 H new ATOM 0 HH22 ARG A 39 126.587 19.434 29.629 1.00 1.48 H new ATOM 684 N VAL A 40 129.560 11.378 29.125 1.00 0.46 N ATOM 685 CA VAL A 40 129.024 10.017 29.109 1.00 0.53 C ATOM 686 C VAL A 40 127.564 9.997 29.560 1.00 0.53 C ATOM 687 O VAL A 40 127.047 10.993 30.072 1.00 0.66 O ATOM 688 CB VAL A 40 129.841 9.066 30.015 1.00 0.64 C ATOM 689 CG1 VAL A 40 131.239 8.855 29.453 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.903 9.595 31.443 1.00 0.78 C ATOM 0 H VAL A 40 129.853 11.703 30.047 1.00 0.46 H new ATOM 0 HA VAL A 40 129.094 9.668 28.079 1.00 0.53 H new ATOM 0 HB VAL A 40 129.335 8.101 30.036 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.796 8.183 30.106 1.00 0.71 H new ATOM 0 HG12 VAL A 40 131.169 8.418 28.457 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.755 9.813 29.393 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.483 8.909 32.060 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.378 10.576 31.447 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.893 9.679 31.844 1.00 0.78 H new ATOM 700 N MET A 41 126.906 8.853 29.373 1.00 0.53 N ATOM 701 CA MET A 41 125.509 8.696 29.767 1.00 0.60 C ATOM 702 C MET A 41 125.245 7.282 30.276 1.00 0.86 C ATOM 703 O MET A 41 124.488 7.085 31.225 1.00 1.20 O ATOM 704 CB MET A 41 124.577 9.016 28.593 1.00 0.75 C ATOM 705 CG MET A 41 124.823 8.167 27.355 1.00 0.56 C ATOM 706 SD MET A 41 123.333 7.941 26.363 1.00 0.67 S ATOM 707 CE MET A 41 123.118 9.588 25.692 1.00 0.54 C ATOM 0 H MET A 41 127.320 8.022 28.951 1.00 0.53 H new ATOM 0 HA MET A 41 125.307 9.399 30.575 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.545 8.879 28.915 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.692 10.067 28.328 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.594 8.636 26.744 1.00 0.56 H new ATOM 0 HG3 MET A 41 125.205 7.192 27.657 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.234 9.609 25.055 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.994 10.300 26.508 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.995 9.859 25.104 1.00 0.54 H new ATOM 718 N GLY B 1 134.991 4.658 -27.490 1.00 0.61 N ATOM 719 CA GLY B 1 136.384 4.335 -27.917 1.00 0.61 C ATOM 720 C GLY B 1 136.949 3.120 -27.202 1.00 0.52 C ATOM 721 O GLY B 1 136.987 2.025 -27.765 1.00 0.60 O ATOM 0 H1 GLY B 1 134.654 5.494 -28.008 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.369 3.850 -27.695 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.978 4.855 -26.469 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.398 4.158 -28.992 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.027 5.195 -27.727 1.00 0.61 H new ATOM 727 N SER B 2 137.390 3.315 -25.958 1.00 0.50 N ATOM 728 CA SER B 2 137.958 2.227 -25.161 1.00 0.49 C ATOM 729 C SER B 2 137.314 2.161 -23.780 1.00 0.47 C ATOM 730 O SER B 2 137.994 1.976 -22.771 1.00 0.63 O ATOM 731 CB SER B 2 139.475 2.395 -25.038 1.00 0.55 C ATOM 732 OG SER B 2 140.108 2.272 -26.300 1.00 0.67 O ATOM 0 H SER B 2 137.365 4.216 -25.481 1.00 0.50 H new ATOM 0 HA SER B 2 137.749 1.288 -25.673 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.702 3.371 -24.608 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.872 1.645 -24.354 1.00 0.55 H new ATOM 0 HG SER B 2 141.076 2.385 -26.193 1.00 0.67 H new ATOM 738 N LEU B 3 135.990 2.276 -23.751 1.00 0.48 N ATOM 739 CA LEU B 3 135.237 2.186 -22.509 1.00 0.55 C ATOM 740 C LEU B 3 134.607 0.798 -22.434 1.00 0.65 C ATOM 741 O LEU B 3 133.396 0.654 -22.251 1.00 1.02 O ATOM 742 CB LEU B 3 134.164 3.280 -22.450 1.00 0.62 C ATOM 743 CG LEU B 3 134.596 4.582 -21.770 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.508 5.389 -22.685 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.376 5.400 -21.371 1.00 0.76 C ATOM 0 H LEU B 3 135.416 2.433 -24.579 1.00 0.48 H new ATOM 0 HA LEU B 3 135.899 2.335 -21.656 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.845 3.509 -23.467 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.294 2.886 -21.924 1.00 0.62 H new ATOM 0 HG LEU B 3 135.155 4.332 -20.868 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.804 6.310 -22.183 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.396 4.803 -22.922 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.977 5.632 -23.606 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.699 6.323 -20.889 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.792 5.640 -22.260 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.762 4.824 -20.678 1.00 0.76 H new ATOM 757 N THR B 4 135.447 -0.224 -22.624 1.00 0.46 N ATOM 758 CA THR B 4 134.989 -1.609 -22.630 1.00 0.55 C ATOM 759 C THR B 4 135.870 -2.514 -21.754 1.00 0.42 C ATOM 760 O THR B 4 136.564 -2.045 -20.851 1.00 0.43 O ATOM 761 CB THR B 4 134.957 -2.125 -24.079 1.00 0.72 C ATOM 762 OG1 THR B 4 136.266 -2.182 -24.628 1.00 0.70 O ATOM 763 CG2 THR B 4 134.104 -1.277 -25.002 1.00 0.90 C ATOM 0 H THR B 4 136.450 -0.113 -22.776 1.00 0.46 H new ATOM 0 HA THR B 4 133.986 -1.638 -22.204 1.00 0.55 H new ATOM 0 HB THR B 4 134.515 -3.120 -24.017 1.00 0.72 H new ATOM 0 HG1 THR B 4 136.220 -2.514 -25.549 1.00 0.70 H new ATOM 0 HG21 THR B 4 134.126 -1.698 -26.007 1.00 0.90 H new ATOM 0 HG22 THR B 4 133.077 -1.263 -24.637 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.495 -0.260 -25.026 1.00 0.90 H new ATOM 771 N TYR B 5 135.796 -3.820 -22.026 1.00 0.50 N ATOM 772 CA TYR B 5 136.543 -4.836 -21.276 1.00 0.45 C ATOM 773 C TYR B 5 138.015 -4.455 -21.092 1.00 0.41 C ATOM 774 O TYR B 5 138.512 -4.423 -19.966 1.00 0.46 O ATOM 775 CB TYR B 5 136.436 -6.199 -21.965 1.00 0.57 C ATOM 776 CG TYR B 5 136.806 -7.362 -21.069 1.00 0.50 C ATOM 777 CD1 TYR B 5 135.918 -7.844 -20.113 1.00 0.69 C ATOM 778 CD2 TYR B 5 138.046 -7.977 -21.179 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.255 -8.906 -19.295 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.391 -9.040 -20.365 1.00 0.92 C ATOM 781 CZ TYR B 5 137.493 -9.501 -19.424 1.00 0.67 C ATOM 782 OH TYR B 5 137.832 -10.561 -18.610 1.00 0.84 O ATOM 0 H TYR B 5 135.216 -4.204 -22.773 1.00 0.50 H new ATOM 0 HA TYR B 5 136.093 -4.896 -20.285 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.416 -6.337 -22.322 1.00 0.57 H new ATOM 0 HB3 TYR B 5 137.084 -6.206 -22.841 1.00 0.57 H new ATOM 0 HD1 TYR B 5 134.948 -7.380 -20.008 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.753 -7.619 -21.913 1.00 0.80 H new ATOM 0 HE1 TYR B 5 135.553 -9.268 -18.559 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.359 -9.508 -20.465 1.00 0.92 H new ATOM 0 HH TYR B 5 138.737 -10.866 -18.830 1.00 0.84 H new ATOM 792 N GLU B 6 138.712 -4.176 -22.198 1.00 0.49 N ATOM 793 CA GLU B 6 140.135 -3.804 -22.149 1.00 0.50 C ATOM 794 C GLU B 6 140.406 -2.614 -21.211 1.00 0.38 C ATOM 795 O GLU B 6 141.554 -2.364 -20.839 1.00 0.44 O ATOM 796 CB GLU B 6 140.642 -3.471 -23.555 1.00 0.62 C ATOM 797 CG GLU B 6 141.671 -4.460 -24.078 1.00 0.68 C ATOM 798 CD GLU B 6 142.390 -3.956 -25.314 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.426 -3.275 -25.162 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.917 -4.241 -26.434 1.00 1.14 O ATOM 0 H GLU B 6 138.317 -4.200 -23.138 1.00 0.49 H new ATOM 0 HA GLU B 6 140.671 -4.665 -21.750 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.795 -3.443 -24.241 1.00 0.62 H new ATOM 0 HB3 GLU B 6 141.080 -2.473 -23.548 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.402 -4.666 -23.296 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.177 -5.404 -24.309 1.00 0.68 H new ATOM 807 N GLU B 7 139.348 -1.896 -20.824 1.00 0.32 N ATOM 808 CA GLU B 7 139.474 -0.757 -19.923 1.00 0.29 C ATOM 809 C GLU B 7 139.074 -1.130 -18.493 1.00 0.27 C ATOM 810 O GLU B 7 139.771 -0.786 -17.540 1.00 0.43 O ATOM 811 CB GLU B 7 138.625 0.407 -20.425 1.00 0.43 C ATOM 812 CG GLU B 7 139.033 1.755 -19.848 1.00 0.57 C ATOM 813 CD GLU B 7 137.941 2.381 -19.002 1.00 0.72 C ATOM 814 OE1 GLU B 7 137.103 3.116 -19.566 1.00 1.00 O ATOM 815 OE2 GLU B 7 137.925 2.135 -17.775 1.00 0.80 O ATOM 0 H GLU B 7 138.392 -2.088 -21.125 1.00 0.32 H new ATOM 0 HA GLU B 7 140.521 -0.454 -19.908 1.00 0.29 H new ATOM 0 HB2 GLU B 7 138.692 0.452 -21.512 1.00 0.43 H new ATOM 0 HB3 GLU B 7 137.581 0.217 -20.177 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.931 1.630 -19.242 1.00 0.57 H new ATOM 0 HG3 GLU B 7 139.290 2.432 -20.663 1.00 0.57 H new ATOM 822 N VAL B 8 137.923 -1.799 -18.356 1.00 0.35 N ATOM 823 CA VAL B 8 137.395 -2.188 -17.046 1.00 0.37 C ATOM 824 C VAL B 8 138.482 -2.697 -16.087 1.00 0.28 C ATOM 825 O VAL B 8 138.557 -2.227 -14.949 1.00 0.40 O ATOM 826 CB VAL B 8 136.257 -3.235 -17.170 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.803 -4.640 -17.370 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.348 -3.182 -15.949 1.00 0.78 C ATOM 0 H VAL B 8 137.338 -2.083 -19.142 1.00 0.35 H new ATOM 0 HA VAL B 8 136.983 -1.276 -16.615 1.00 0.37 H new ATOM 0 HB VAL B 8 135.672 -2.982 -18.054 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.975 -5.344 -17.452 1.00 0.44 H new ATOM 0 HG12 VAL B 8 137.399 -4.672 -18.282 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.427 -4.912 -16.519 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.555 -3.923 -16.053 1.00 0.78 H new ATOM 0 HG22 VAL B 8 135.930 -3.396 -15.053 1.00 0.78 H new ATOM 0 HG23 VAL B 8 134.907 -2.189 -15.866 1.00 0.78 H new ATOM 838 N LEU B 9 139.318 -3.656 -16.520 1.00 0.35 N ATOM 839 CA LEU B 9 140.369 -4.204 -15.657 1.00 0.49 C ATOM 840 C LEU B 9 141.422 -3.159 -15.286 1.00 0.52 C ATOM 841 O LEU B 9 141.942 -3.178 -14.169 1.00 0.74 O ATOM 842 CB LEU B 9 141.049 -5.398 -16.334 1.00 0.65 C ATOM 843 CG LEU B 9 140.105 -6.524 -16.770 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.111 -6.674 -18.286 1.00 0.85 C ATOM 845 CD2 LEU B 9 140.490 -7.837 -16.099 1.00 0.76 C ATOM 0 H LEU B 9 139.284 -4.063 -17.455 1.00 0.35 H new ATOM 0 HA LEU B 9 139.883 -4.528 -14.737 1.00 0.49 H new ATOM 0 HB2 LEU B 9 141.590 -5.039 -17.210 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.789 -5.811 -15.649 1.00 0.65 H new ATOM 0 HG LEU B 9 139.094 -6.263 -16.457 1.00 0.65 H new ATOM 0 HD11 LEU B 9 139.435 -7.478 -18.575 1.00 0.85 H new ATOM 0 HD12 LEU B 9 139.783 -5.742 -18.745 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.120 -6.910 -18.624 1.00 0.85 H new ATOM 0 HD21 LEU B 9 139.808 -8.624 -16.421 1.00 0.76 H new ATOM 0 HD22 LEU B 9 141.509 -8.103 -16.378 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.428 -7.724 -15.017 1.00 0.76 H new ATOM 857 N GLN B 10 141.729 -2.247 -16.212 1.00 0.41 N ATOM 858 CA GLN B 10 142.714 -1.197 -15.949 1.00 0.48 C ATOM 859 C GLN B 10 142.339 -0.423 -14.686 1.00 0.42 C ATOM 860 O GLN B 10 143.186 -0.174 -13.827 1.00 0.48 O ATOM 861 CB GLN B 10 142.821 -0.240 -17.141 1.00 0.58 C ATOM 862 CG GLN B 10 143.856 -0.661 -18.173 1.00 0.66 C ATOM 863 CD GLN B 10 145.274 -0.606 -17.634 1.00 0.81 C ATOM 864 OE1 GLN B 10 145.834 -1.624 -17.223 1.00 1.32 O ATOM 865 NE2 GLN B 10 145.865 0.585 -17.632 1.00 0.83 N ATOM 0 H GLN B 10 141.313 -2.215 -17.143 1.00 0.41 H new ATOM 0 HA GLN B 10 143.685 -1.670 -15.799 1.00 0.48 H new ATOM 0 HB2 GLN B 10 141.847 -0.167 -17.625 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.071 0.756 -16.775 1.00 0.58 H new ATOM 0 HG2 GLN B 10 143.638 -1.675 -18.508 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.778 -0.013 -19.046 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.365 1.403 -17.981 1.00 0.83 H new ATOM 0 HE22 GLN B 10 146.818 0.681 -17.281 1.00 0.83 H new ATOM 874 N GLU B 11 141.056 -0.057 -14.578 1.00 0.40 N ATOM 875 CA GLU B 11 140.557 0.679 -13.417 1.00 0.42 C ATOM 876 C GLU B 11 140.608 -0.178 -12.144 1.00 0.37 C ATOM 877 O GLU B 11 140.716 0.360 -11.041 1.00 0.54 O ATOM 878 CB GLU B 11 139.124 1.164 -13.668 1.00 0.48 C ATOM 879 CG GLU B 11 138.664 2.242 -12.698 1.00 0.62 C ATOM 880 CD GLU B 11 137.170 2.193 -12.432 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.398 2.701 -13.275 1.00 1.61 O ATOM 882 OE2 GLU B 11 136.772 1.648 -11.381 1.00 1.53 O ATOM 0 H GLU B 11 140.347 -0.260 -15.282 1.00 0.40 H new ATOM 0 HA GLU B 11 141.206 1.542 -13.268 1.00 0.42 H new ATOM 0 HB2 GLU B 11 139.053 1.549 -14.685 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.445 0.314 -13.601 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.200 2.130 -11.756 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.925 3.221 -13.099 1.00 0.62 H new ATOM 889 N LEU B 12 140.535 -1.509 -12.298 1.00 0.32 N ATOM 890 CA LEU B 12 140.579 -2.415 -11.147 1.00 0.30 C ATOM 891 C LEU B 12 141.938 -2.329 -10.456 1.00 0.28 C ATOM 892 O LEU B 12 142.024 -1.801 -9.348 1.00 0.36 O ATOM 893 CB LEU B 12 140.280 -3.858 -11.588 1.00 0.32 C ATOM 894 CG LEU B 12 139.929 -4.854 -10.471 1.00 0.38 C ATOM 895 CD1 LEU B 12 141.181 -5.306 -9.731 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.923 -4.252 -9.502 1.00 0.54 C ATOM 0 H LEU B 12 140.446 -1.976 -13.201 1.00 0.32 H new ATOM 0 HA LEU B 12 139.813 -2.112 -10.434 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.453 -3.834 -12.297 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.149 -4.239 -12.125 1.00 0.32 H new ATOM 0 HG LEU B 12 139.473 -5.729 -10.935 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.905 -6.010 -8.946 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.862 -5.791 -10.430 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.673 -4.441 -9.286 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.691 -4.977 -8.721 1.00 0.54 H new ATOM 0 HD22 LEU B 12 139.345 -3.354 -9.050 1.00 0.54 H new ATOM 0 HD23 LEU B 12 138.011 -3.993 -10.039 1.00 0.54 H new ATOM 908 N VAL B 13 143.001 -2.856 -11.091 1.00 0.25 N ATOM 909 CA VAL B 13 144.343 -2.828 -10.504 1.00 0.26 C ATOM 910 C VAL B 13 144.659 -1.471 -9.872 1.00 0.22 C ATOM 911 O VAL B 13 145.245 -1.417 -8.793 1.00 0.26 O ATOM 912 CB VAL B 13 145.427 -3.197 -11.548 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.687 -2.047 -12.513 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.714 -3.626 -10.855 1.00 0.52 C ATOM 0 H VAL B 13 142.952 -3.303 -12.006 1.00 0.25 H new ATOM 0 HA VAL B 13 144.355 -3.580 -9.715 1.00 0.26 H new ATOM 0 HB VAL B 13 145.054 -4.037 -12.133 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.453 -2.341 -13.231 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.767 -1.802 -13.043 1.00 0.62 H new ATOM 0 HG13 VAL B 13 146.028 -1.174 -11.956 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.463 -3.881 -11.604 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.084 -2.809 -10.236 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.517 -4.496 -10.228 1.00 0.52 H new ATOM 924 N LYS B 14 144.247 -0.377 -10.528 1.00 0.24 N ATOM 925 CA LYS B 14 144.475 0.964 -9.986 1.00 0.25 C ATOM 926 C LYS B 14 144.051 0.996 -8.516 1.00 0.22 C ATOM 927 O LYS B 14 144.833 1.379 -7.646 1.00 0.29 O ATOM 928 CB LYS B 14 143.709 2.012 -10.797 1.00 0.34 C ATOM 929 CG LYS B 14 144.585 2.777 -11.779 1.00 0.87 C ATOM 930 CD LYS B 14 143.760 3.694 -12.668 1.00 0.75 C ATOM 931 CE LYS B 14 143.992 5.160 -12.332 1.00 0.70 C ATOM 932 NZ LYS B 14 144.084 6.004 -13.556 1.00 0.72 N ATOM 0 H LYS B 14 143.760 -0.396 -11.424 1.00 0.24 H new ATOM 0 HA LYS B 14 145.536 1.203 -10.055 1.00 0.25 H new ATOM 0 HB2 LYS B 14 142.906 1.520 -11.345 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.241 2.719 -10.112 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.320 3.366 -11.230 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.140 2.072 -12.398 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.015 3.515 -13.712 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.702 3.457 -12.553 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.179 5.521 -11.703 1.00 0.70 H new ATOM 0 HE3 LYS B 14 144.910 5.259 -11.753 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.242 6.995 -13.283 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.876 5.676 -14.145 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.198 5.931 -14.096 1.00 0.72 H new ATOM 946 N HIS B 15 142.819 0.551 -8.246 1.00 0.24 N ATOM 947 CA HIS B 15 142.294 0.481 -6.879 1.00 0.27 C ATOM 948 C HIS B 15 143.138 -0.494 -6.056 1.00 0.25 C ATOM 949 O HIS B 15 143.594 -0.172 -4.958 1.00 0.45 O ATOM 950 CB HIS B 15 140.827 0.019 -6.896 1.00 0.33 C ATOM 951 CG HIS B 15 139.920 0.935 -7.654 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.547 0.810 -7.658 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.202 1.996 -8.438 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.027 1.761 -8.414 1.00 0.89 C ATOM 955 NE2 HIS B 15 139.012 2.494 -8.904 1.00 0.76 N ATOM 0 H HIS B 15 142.164 0.233 -8.960 1.00 0.24 H new ATOM 0 HA HIS B 15 142.343 1.472 -6.427 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.774 -0.977 -7.335 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.469 -0.066 -5.870 1.00 0.33 H new ATOM 0 HD2 HIS B 15 141.186 2.383 -8.659 1.00 0.74 H new ATOM 0 HE1 HIS B 15 136.974 1.914 -8.600 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.905 3.296 -9.525 1.00 0.76 H new ATOM 964 N LYS B 16 143.326 -1.689 -6.614 1.00 0.21 N ATOM 965 CA LYS B 16 144.111 -2.748 -5.976 1.00 0.27 C ATOM 966 C LYS B 16 145.443 -2.208 -5.431 1.00 0.36 C ATOM 967 O LYS B 16 145.721 -2.317 -4.234 1.00 0.69 O ATOM 968 CB LYS B 16 144.364 -3.881 -6.972 1.00 0.35 C ATOM 969 CG LYS B 16 144.038 -5.257 -6.419 1.00 0.46 C ATOM 970 CD LYS B 16 143.529 -6.192 -7.506 1.00 0.49 C ATOM 971 CE LYS B 16 144.132 -7.583 -7.373 1.00 0.53 C ATOM 972 NZ LYS B 16 145.476 -7.672 -8.012 1.00 0.61 N ATOM 0 H LYS B 16 142.939 -1.952 -7.521 1.00 0.21 H new ATOM 0 HA LYS B 16 143.539 -3.133 -5.132 1.00 0.27 H new ATOM 0 HB2 LYS B 16 143.767 -3.707 -7.867 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.410 -3.859 -7.277 1.00 0.35 H new ATOM 0 HG2 LYS B 16 144.928 -5.685 -5.958 1.00 0.46 H new ATOM 0 HG3 LYS B 16 143.286 -5.166 -5.635 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.442 -6.259 -7.451 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.774 -5.780 -8.485 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.214 -7.843 -6.318 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.464 -8.313 -7.830 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.851 -8.635 -7.899 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.394 -7.449 -9.025 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.121 -6.994 -7.559 1.00 0.61 H new ATOM 986 N GLU B 17 146.258 -1.623 -6.315 1.00 0.30 N ATOM 987 CA GLU B 17 147.554 -1.060 -5.924 1.00 0.38 C ATOM 988 C GLU B 17 147.392 0.210 -5.075 1.00 0.32 C ATOM 989 O GLU B 17 148.297 0.576 -4.323 1.00 0.40 O ATOM 990 CB GLU B 17 148.399 -0.754 -7.166 1.00 0.51 C ATOM 991 CG GLU B 17 147.825 0.352 -8.040 1.00 0.80 C ATOM 992 CD GLU B 17 148.263 0.247 -9.489 1.00 1.10 C ATOM 993 OE1 GLU B 17 147.738 -0.642 -10.205 1.00 1.47 O ATOM 994 OE2 GLU B 17 149.128 1.054 -9.909 1.00 1.49 O ATOM 0 H GLU B 17 146.042 -1.527 -7.307 1.00 0.30 H new ATOM 0 HA GLU B 17 148.063 -1.807 -5.315 1.00 0.38 H new ATOM 0 HB2 GLU B 17 149.403 -0.471 -6.850 1.00 0.51 H new ATOM 0 HB3 GLU B 17 148.496 -1.662 -7.761 1.00 0.51 H new ATOM 0 HG2 GLU B 17 146.737 0.319 -7.991 1.00 0.80 H new ATOM 0 HG3 GLU B 17 148.132 1.319 -7.642 1.00 0.80 H new ATOM 1001 N LEU B 18 146.231 0.867 -5.184 1.00 0.32 N ATOM 1002 CA LEU B 18 145.957 2.080 -4.408 1.00 0.34 C ATOM 1003 C LEU B 18 145.873 1.763 -2.915 1.00 0.35 C ATOM 1004 O LEU B 18 146.230 2.592 -2.076 1.00 0.66 O ATOM 1005 CB LEU B 18 144.657 2.744 -4.873 1.00 0.51 C ATOM 1006 CG LEU B 18 144.833 3.864 -5.901 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.477 4.393 -6.351 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.687 4.988 -5.327 1.00 0.75 C ATOM 0 H LEU B 18 145.470 0.580 -5.799 1.00 0.32 H new ATOM 0 HA LEU B 18 146.782 2.773 -4.574 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.009 1.979 -5.300 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.142 3.149 -4.002 1.00 0.51 H new ATOM 0 HG LEU B 18 145.347 3.456 -6.771 1.00 0.64 H new ATOM 0 HD11 LEU B 18 143.621 5.189 -7.082 1.00 0.81 H new ATOM 0 HD12 LEU B 18 142.903 3.584 -6.803 1.00 0.81 H new ATOM 0 HD13 LEU B 18 142.935 4.785 -5.490 1.00 0.81 H new ATOM 0 HD21 LEU B 18 145.801 5.775 -6.072 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.203 5.396 -4.440 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.669 4.598 -5.058 1.00 0.75 H new ATOM 1020 N LEU B 19 145.430 0.544 -2.592 1.00 0.45 N ATOM 1021 CA LEU B 19 145.331 0.098 -1.204 1.00 0.47 C ATOM 1022 C LEU B 19 146.680 -0.455 -0.727 1.00 0.33 C ATOM 1023 O LEU B 19 147.012 -0.368 0.457 1.00 0.45 O ATOM 1024 CB LEU B 19 144.239 -0.970 -1.062 1.00 0.63 C ATOM 1025 CG LEU B 19 142.815 -0.425 -0.902 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.804 -1.370 -1.535 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.489 -0.202 0.569 1.00 0.96 C ATOM 0 H LEU B 19 145.134 -0.151 -3.277 1.00 0.45 H new ATOM 0 HA LEU B 19 145.063 0.953 -0.583 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.268 -1.616 -1.939 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.472 -1.594 -0.199 1.00 0.63 H new ATOM 0 HG LEU B 19 142.757 0.534 -1.417 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.800 -0.965 -1.411 1.00 0.95 H new ATOM 0 HD12 LEU B 19 142.023 -1.478 -2.597 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.865 -2.345 -1.051 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.474 0.185 0.662 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.568 -1.147 1.106 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.191 0.516 0.993 1.00 0.96 H new ATOM 1039 N ARG B 20 147.461 -1.000 -1.669 1.00 0.35 N ATOM 1040 CA ARG B 20 148.784 -1.539 -1.350 1.00 0.49 C ATOM 1041 C ARG B 20 149.712 -0.402 -0.933 1.00 0.40 C ATOM 1042 O ARG B 20 150.205 -0.377 0.196 1.00 0.49 O ATOM 1043 CB ARG B 20 149.370 -2.290 -2.552 1.00 0.76 C ATOM 1044 CG ARG B 20 148.930 -3.743 -2.633 1.00 0.85 C ATOM 1045 CD ARG B 20 149.975 -4.605 -3.324 1.00 0.96 C ATOM 1046 NE ARG B 20 149.795 -6.027 -3.033 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.704 -6.965 -3.305 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.863 -6.639 -3.872 1.00 1.68 N ATOM 1049 NH2 ARG B 20 150.453 -8.236 -3.008 1.00 1.59 N ATOM 0 H ARG B 20 147.199 -1.078 -2.652 1.00 0.35 H new ATOM 0 HA ARG B 20 148.686 -2.245 -0.525 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.076 -1.778 -3.468 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.458 -2.251 -2.500 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.748 -4.125 -1.629 1.00 0.85 H new ATOM 0 HG3 ARG B 20 147.987 -3.809 -3.175 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.921 -4.446 -4.401 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.970 -4.293 -3.005 1.00 0.96 H new ATOM 0 HE ARG B 20 148.921 -6.319 -2.595 1.00 1.06 H new ATOM 0 HH11 ARG B 20 152.062 -5.665 -4.102 1.00 1.68 H new ATOM 0 HH12 ARG B 20 152.552 -7.363 -4.076 1.00 1.68 H new ATOM 0 HH21 ARG B 20 149.567 -8.493 -2.573 1.00 1.59 H new ATOM 0 HH22 ARG B 20 151.147 -8.955 -3.215 1.00 1.59 H new ATOM 1063 N ARG B 21 149.932 0.543 -1.852 1.00 0.35 N ATOM 1064 CA ARG B 21 150.786 1.699 -1.586 1.00 0.35 C ATOM 1065 C ARG B 21 150.345 2.423 -0.314 1.00 0.34 C ATOM 1066 O ARG B 21 151.182 2.858 0.475 1.00 0.47 O ATOM 1067 CB ARG B 21 150.765 2.668 -2.772 1.00 0.45 C ATOM 1068 CG ARG B 21 152.141 2.941 -3.359 1.00 0.70 C ATOM 1069 CD ARG B 21 152.443 4.431 -3.407 1.00 0.98 C ATOM 1070 NE ARG B 21 152.066 5.031 -4.688 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.441 6.251 -5.083 1.00 1.25 C ATOM 1072 NH1 ARG B 21 153.196 7.016 -4.297 1.00 2.12 N ATOM 1073 NH2 ARG B 21 152.057 6.708 -6.270 1.00 1.53 N ATOM 0 H ARG B 21 149.528 0.528 -2.789 1.00 0.35 H new ATOM 0 HA ARG B 21 151.804 1.337 -1.443 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.121 2.261 -3.551 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.322 3.611 -2.452 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.899 2.434 -2.762 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.197 2.525 -4.365 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.909 4.934 -2.601 1.00 0.98 H new ATOM 0 HD3 ARG B 21 153.507 4.590 -3.232 1.00 0.98 H new ATOM 0 HE ARG B 21 151.480 4.483 -5.318 1.00 0.97 H new ATOM 0 HH11 ARG B 21 153.493 6.672 -3.384 1.00 2.12 H new ATOM 0 HH12 ARG B 21 153.477 7.946 -4.608 1.00 2.12 H new ATOM 0 HH21 ARG B 21 151.478 6.128 -6.877 1.00 1.53 H new ATOM 0 HH22 ARG B 21 152.342 7.639 -6.574 1.00 1.53 H new ATOM 1087 N LYS B 22 149.025 2.552 -0.128 1.00 0.30 N ATOM 1088 CA LYS B 22 148.461 3.224 1.046 1.00 0.36 C ATOM 1089 C LYS B 22 149.104 2.726 2.342 1.00 0.31 C ATOM 1090 O LYS B 22 149.385 3.519 3.243 1.00 0.36 O ATOM 1091 CB LYS B 22 146.945 3.004 1.104 1.00 0.47 C ATOM 1092 CG LYS B 22 146.154 4.271 1.389 1.00 0.69 C ATOM 1093 CD LYS B 22 144.689 4.113 1.008 1.00 0.86 C ATOM 1094 CE LYS B 22 143.847 3.664 2.194 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.555 4.786 3.133 1.00 0.70 N ATOM 0 H LYS B 22 148.326 2.197 -0.780 1.00 0.30 H new ATOM 0 HA LYS B 22 148.672 4.289 0.950 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.611 2.584 0.155 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.723 2.266 1.875 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.231 4.518 2.448 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.587 5.104 0.835 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.307 5.060 0.628 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.599 3.386 0.201 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.910 3.241 1.833 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.369 2.871 2.729 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.980 4.435 3.925 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.448 5.174 3.499 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 143.034 5.532 2.631 1.00 0.70 H new ATOM 1109 N ASP B 23 149.350 1.417 2.425 1.00 0.32 N ATOM 1110 CA ASP B 23 149.978 0.828 3.608 1.00 0.32 C ATOM 1111 C ASP B 23 151.488 1.064 3.591 1.00 0.30 C ATOM 1112 O ASP B 23 152.091 1.326 4.630 1.00 0.37 O ATOM 1113 CB ASP B 23 149.684 -0.673 3.686 1.00 0.36 C ATOM 1114 CG ASP B 23 148.597 -0.997 4.692 1.00 0.75 C ATOM 1115 OD1 ASP B 23 148.924 -1.162 5.887 1.00 1.11 O ATOM 1116 OD2 ASP B 23 147.418 -1.080 4.287 1.00 1.15 O ATOM 0 H ASP B 23 149.125 0.747 1.690 1.00 0.32 H new ATOM 0 HA ASP B 23 149.558 1.313 4.489 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.384 -1.033 2.702 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.596 -1.206 3.956 1.00 0.36 H new ATOM 1121 N THR B 24 152.087 0.989 2.400 1.00 0.28 N ATOM 1122 CA THR B 24 153.525 1.213 2.238 1.00 0.29 C ATOM 1123 C THR B 24 153.892 2.685 2.502 1.00 0.27 C ATOM 1124 O THR B 24 155.050 3.003 2.768 1.00 0.32 O ATOM 1125 CB THR B 24 153.963 0.803 0.825 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.635 -0.554 0.570 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.449 0.968 0.582 1.00 0.55 C ATOM 0 H THR B 24 151.597 0.774 1.532 1.00 0.28 H new ATOM 0 HA THR B 24 154.050 0.599 2.970 1.00 0.29 H new ATOM 0 HB THR B 24 153.426 1.474 0.154 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.921 -0.795 -0.336 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.688 0.660 -0.436 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.726 2.013 0.719 1.00 0.55 H new ATOM 0 HG23 THR B 24 156.004 0.350 1.288 1.00 0.55 H new ATOM 1135 N HIS B 25 152.888 3.566 2.444 1.00 0.26 N ATOM 1136 CA HIS B 25 153.095 4.993 2.693 1.00 0.29 C ATOM 1137 C HIS B 25 153.183 5.263 4.192 1.00 0.31 C ATOM 1138 O HIS B 25 154.046 6.017 4.643 1.00 0.41 O ATOM 1139 CB HIS B 25 151.972 5.823 2.066 1.00 0.34 C ATOM 1140 CG HIS B 25 152.458 7.052 1.362 1.00 0.34 C ATOM 1141 ND1 HIS B 25 152.827 8.205 2.025 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.635 7.306 0.043 1.00 0.94 C ATOM 1143 CE1 HIS B 25 153.208 9.114 1.145 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.101 8.593 -0.064 1.00 0.74 N ATOM 0 H HIS B 25 151.924 3.314 2.226 1.00 0.26 H new ATOM 0 HA HIS B 25 154.036 5.288 2.229 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.424 5.201 1.358 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.268 6.115 2.846 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.445 6.623 -0.772 1.00 0.94 H new ATOM 0 HE1 HIS B 25 153.549 10.113 1.375 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.328 9.070 -0.937 1.00 0.74 H new ATOM 1153 N ILE B 26 152.307 4.620 4.964 1.00 0.29 N ATOM 1154 CA ILE B 26 152.321 4.767 6.416 1.00 0.35 C ATOM 1155 C ILE B 26 153.479 3.956 7.003 1.00 0.35 C ATOM 1156 O ILE B 26 154.065 4.333 8.017 1.00 0.47 O ATOM 1157 CB ILE B 26 150.990 4.318 7.065 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.645 2.878 6.671 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.863 5.263 6.672 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.540 2.269 7.508 1.00 0.68 C ATOM 0 H ILE B 26 151.583 3.996 4.609 1.00 0.29 H new ATOM 0 HA ILE B 26 152.451 5.826 6.637 1.00 0.35 H new ATOM 0 HB ILE B 26 151.112 4.351 8.148 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.348 2.858 5.622 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.539 2.261 6.761 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.933 4.934 7.136 1.00 0.54 H new ATOM 0 HG22 ILE B 26 150.100 6.272 7.010 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.748 5.261 5.588 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.349 1.249 7.173 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.842 2.256 8.555 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.632 2.862 7.399 1.00 0.68 H new ATOM 1172 N ARG B 27 153.809 2.850 6.325 1.00 0.31 N ATOM 1173 CA ARG B 27 154.906 1.979 6.735 1.00 0.37 C ATOM 1174 C ARG B 27 156.251 2.658 6.472 1.00 0.34 C ATOM 1175 O ARG B 27 157.148 2.618 7.317 1.00 0.39 O ATOM 1176 CB ARG B 27 154.836 0.639 5.998 1.00 0.46 C ATOM 1177 CG ARG B 27 155.235 -0.546 6.860 1.00 0.53 C ATOM 1178 CD ARG B 27 155.285 -1.834 6.052 1.00 0.80 C ATOM 1179 NE ARG B 27 156.360 -2.720 6.497 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.648 -2.556 6.180 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.033 -1.538 5.412 1.00 1.21 N ATOM 1182 NH2 ARG B 27 158.556 -3.413 6.634 1.00 1.67 N ATOM 0 H ARG B 27 153.324 2.539 5.483 1.00 0.31 H new ATOM 0 HA ARG B 27 154.812 1.790 7.804 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.821 0.487 5.632 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.487 0.679 5.125 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.211 -0.359 7.308 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.524 -0.657 7.679 1.00 0.53 H new ATOM 0 HD2 ARG B 27 154.330 -2.352 6.137 1.00 0.80 H new ATOM 0 HD3 ARG B 27 155.425 -1.595 4.998 1.00 0.80 H new ATOM 0 HE ARG B 27 156.111 -3.514 7.087 1.00 0.90 H new ATOM 0 HH11 ARG B 27 157.342 -0.875 5.060 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.018 -1.422 5.176 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.270 -4.195 7.223 1.00 1.67 H new ATOM 0 HH22 ARG B 27 159.539 -3.289 6.393 1.00 1.67 H new ATOM 1196 N GLU B 28 156.379 3.296 5.301 1.00 0.33 N ATOM 1197 CA GLU B 28 157.611 3.998 4.941 1.00 0.36 C ATOM 1198 C GLU B 28 157.831 5.210 5.849 1.00 0.35 C ATOM 1199 O GLU B 28 158.971 5.592 6.121 1.00 0.44 O ATOM 1200 CB GLU B 28 157.592 4.427 3.468 1.00 0.47 C ATOM 1201 CG GLU B 28 156.685 5.612 3.171 1.00 0.78 C ATOM 1202 CD GLU B 28 157.442 6.924 3.084 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.210 7.105 2.116 1.00 1.62 O ATOM 1204 OE2 GLU B 28 157.263 7.772 3.984 1.00 1.79 O ATOM 0 H GLU B 28 155.647 3.339 4.592 1.00 0.33 H new ATOM 0 HA GLU B 28 158.442 3.306 5.082 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.608 4.677 3.162 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.274 3.580 2.859 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.162 5.437 2.231 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.926 5.687 3.949 1.00 0.78 H new ATOM 1211 N LEU B 29 156.731 5.796 6.332 1.00 0.33 N ATOM 1212 CA LEU B 29 156.800 6.945 7.229 1.00 0.38 C ATOM 1213 C LEU B 29 157.245 6.501 8.621 1.00 0.42 C ATOM 1214 O LEU B 29 158.180 7.067 9.185 1.00 0.79 O ATOM 1215 CB LEU B 29 155.441 7.643 7.313 1.00 0.46 C ATOM 1216 CG LEU B 29 155.462 9.148 7.032 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.146 9.425 5.568 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.476 9.874 7.939 1.00 0.59 C ATOM 0 H LEU B 29 155.783 5.490 6.114 1.00 0.33 H new ATOM 0 HA LEU B 29 157.530 7.650 6.831 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.762 7.167 6.606 1.00 0.46 H new ATOM 0 HB3 LEU B 29 155.029 7.481 8.309 1.00 0.46 H new ATOM 0 HG LEU B 29 156.464 9.523 7.242 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.166 10.500 5.389 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.889 8.938 4.937 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.156 9.036 5.329 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.504 10.943 7.726 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.470 9.495 7.760 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.748 9.705 8.981 1.00 0.59 H new ATOM 1230 N GLU B 30 156.558 5.484 9.162 1.00 0.43 N ATOM 1231 CA GLU B 30 156.861 4.936 10.493 1.00 0.45 C ATOM 1232 C GLU B 30 158.369 4.829 10.739 1.00 0.44 C ATOM 1233 O GLU B 30 158.835 5.054 11.857 1.00 0.58 O ATOM 1234 CB GLU B 30 156.217 3.553 10.656 1.00 0.51 C ATOM 1235 CG GLU B 30 154.712 3.580 10.908 1.00 0.58 C ATOM 1236 CD GLU B 30 154.212 4.919 11.426 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.315 5.157 12.648 1.00 1.26 O ATOM 1238 OE2 GLU B 30 153.719 5.726 10.610 1.00 1.35 O ATOM 0 H GLU B 30 155.781 5.020 8.692 1.00 0.43 H new ATOM 0 HA GLU B 30 156.447 5.626 11.228 1.00 0.45 H new ATOM 0 HB2 GLU B 30 156.411 2.968 9.757 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.702 3.036 11.484 1.00 0.51 H new ATOM 0 HG2 GLU B 30 154.191 3.340 9.981 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.457 2.802 11.628 1.00 0.58 H new ATOM 1245 N ASP B 31 159.127 4.496 9.690 1.00 0.41 N ATOM 1246 CA ASP B 31 160.581 4.378 9.800 1.00 0.55 C ATOM 1247 C ASP B 31 161.197 5.731 10.153 1.00 0.57 C ATOM 1248 O ASP B 31 161.909 5.856 11.151 1.00 0.76 O ATOM 1249 CB ASP B 31 161.178 3.854 8.489 1.00 0.69 C ATOM 1250 CG ASP B 31 161.388 2.351 8.512 1.00 1.28 C ATOM 1251 OD1 ASP B 31 160.445 1.613 8.153 1.00 1.74 O ATOM 1252 OD2 ASP B 31 162.495 1.911 8.894 1.00 1.66 O ATOM 0 H ASP B 31 158.758 4.304 8.759 1.00 0.41 H new ATOM 0 HA ASP B 31 160.810 3.668 10.595 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.517 4.114 7.662 1.00 0.69 H new ATOM 0 HB3 ASP B 31 162.131 4.349 8.303 1.00 0.69 H new ATOM 1257 N TYR B 32 160.913 6.736 9.322 1.00 0.49 N ATOM 1258 CA TYR B 32 161.429 8.091 9.531 1.00 0.56 C ATOM 1259 C TYR B 32 161.018 8.649 10.895 1.00 0.56 C ATOM 1260 O TYR B 32 161.775 9.398 11.512 1.00 0.67 O ATOM 1261 CB TYR B 32 160.944 9.036 8.423 1.00 0.60 C ATOM 1262 CG TYR B 32 161.195 8.522 7.022 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.416 7.956 6.675 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.209 8.601 6.047 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.647 7.484 5.397 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.432 8.131 4.768 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.652 7.573 4.447 1.00 1.21 C ATOM 1268 OH TYR B 32 161.877 7.104 3.173 1.00 1.53 O ATOM 0 H TYR B 32 160.326 6.636 8.494 1.00 0.49 H new ATOM 0 HA TYR B 32 162.517 8.027 9.500 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.875 9.209 8.549 1.00 0.60 H new ATOM 0 HB3 TYR B 32 161.439 10.000 8.539 1.00 0.60 H new ATOM 0 HD1 TYR B 32 163.198 7.884 7.417 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.252 9.037 6.293 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.602 7.048 5.144 1.00 1.37 H new ATOM 0 HE2 TYR B 32 159.654 8.200 4.022 1.00 1.17 H new ATOM 0 HH TYR B 32 161.075 7.241 2.627 1.00 1.53 H new ATOM 1278 N ILE B 33 159.820 8.288 11.362 1.00 0.54 N ATOM 1279 CA ILE B 33 159.334 8.777 12.655 1.00 0.64 C ATOM 1280 C ILE B 33 159.806 7.910 13.827 1.00 0.58 C ATOM 1281 O ILE B 33 159.669 8.313 14.983 1.00 0.78 O ATOM 1282 CB ILE B 33 157.788 8.908 12.722 1.00 0.77 C ATOM 1283 CG1 ILE B 33 157.107 8.311 11.481 1.00 0.84 C ATOM 1284 CG2 ILE B 33 157.408 10.372 12.889 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.594 8.268 11.564 1.00 0.87 C ATOM 0 H ILE B 33 159.176 7.667 10.872 1.00 0.54 H new ATOM 0 HA ILE B 33 159.769 9.773 12.746 1.00 0.64 H new ATOM 0 HB ILE B 33 157.437 8.340 13.583 1.00 0.77 H new ATOM 0 HG12 ILE B 33 157.395 8.894 10.606 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.480 7.299 11.327 1.00 0.84 H new ATOM 0 HG21 ILE B 33 156.323 10.463 12.936 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.845 10.759 13.810 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.784 10.944 12.041 1.00 0.98 H new ATOM 0 HD11 ILE B 33 155.192 7.833 10.649 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.294 7.660 12.417 1.00 0.87 H new ATOM 0 HD13 ILE B 33 155.207 9.280 11.685 1.00 0.87 H new ATOM 1297 N ASP B 34 160.364 6.729 13.537 1.00 0.46 N ATOM 1298 CA ASP B 34 160.847 5.835 14.587 1.00 0.50 C ATOM 1299 C ASP B 34 162.103 6.385 15.266 1.00 0.40 C ATOM 1300 O ASP B 34 162.338 6.111 16.439 1.00 0.45 O ATOM 1301 CB ASP B 34 161.134 4.446 14.016 1.00 0.69 C ATOM 1302 CG ASP B 34 160.447 3.350 14.806 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.993 2.943 15.855 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.360 2.904 14.379 1.00 1.46 O ATOM 0 H ASP B 34 160.490 6.375 12.589 1.00 0.46 H new ATOM 0 HA ASP B 34 160.061 5.762 15.339 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.803 4.406 12.978 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.210 4.271 14.014 1.00 0.69 H new ATOM 1309 N ASN B 35 162.896 7.168 14.529 1.00 0.52 N ATOM 1310 CA ASN B 35 164.118 7.767 15.071 1.00 0.58 C ATOM 1311 C ASN B 35 163.805 8.549 16.342 1.00 0.49 C ATOM 1312 O ASN B 35 164.577 8.524 17.301 1.00 0.61 O ATOM 1313 CB ASN B 35 164.773 8.691 14.039 1.00 0.78 C ATOM 1314 CG ASN B 35 165.265 7.941 12.814 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.323 7.311 12.843 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.498 8.005 11.730 1.00 1.31 N ATOM 0 H ASN B 35 162.713 7.402 13.553 1.00 0.52 H new ATOM 0 HA ASN B 35 164.814 6.963 15.310 1.00 0.58 H new ATOM 0 HB2 ASN B 35 164.056 9.452 13.731 1.00 0.78 H new ATOM 0 HB3 ASN B 35 165.611 9.212 14.503 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.778 7.520 10.878 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.629 8.539 11.751 1.00 1.31 H new ATOM 1323 N LEU B 36 162.650 9.219 16.350 1.00 0.44 N ATOM 1324 CA LEU B 36 162.216 9.980 17.517 1.00 0.51 C ATOM 1325 C LEU B 36 162.051 9.036 18.707 1.00 0.47 C ATOM 1326 O LEU B 36 162.444 9.359 19.829 1.00 0.59 O ATOM 1327 CB LEU B 36 160.893 10.708 17.241 1.00 0.71 C ATOM 1328 CG LEU B 36 160.761 11.360 15.856 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.378 11.976 15.692 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.846 12.413 15.647 1.00 1.64 C ATOM 0 H LEU B 36 162.002 9.248 15.562 1.00 0.44 H new ATOM 0 HA LEU B 36 162.974 10.730 17.743 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.077 9.997 17.365 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.761 11.480 17.999 1.00 0.71 H new ATOM 0 HG LEU B 36 160.890 10.587 15.098 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.298 12.434 14.706 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.620 11.200 15.793 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.225 12.735 16.459 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.733 12.861 14.660 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.754 13.187 16.409 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.827 11.944 15.722 1.00 1.64 H new ATOM 1342 N LEU B 37 161.478 7.858 18.439 1.00 0.41 N ATOM 1343 CA LEU B 37 161.272 6.847 19.468 1.00 0.48 C ATOM 1344 C LEU B 37 161.992 5.538 19.111 1.00 0.41 C ATOM 1345 O LEU B 37 161.354 4.490 18.989 1.00 0.54 O ATOM 1346 CB LEU B 37 159.773 6.590 19.672 1.00 0.65 C ATOM 1347 CG LEU B 37 158.982 6.285 18.396 1.00 0.62 C ATOM 1348 CD1 LEU B 37 157.989 5.156 18.634 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.265 7.533 17.901 1.00 0.69 C ATOM 0 H LEU B 37 161.149 7.585 17.513 1.00 0.41 H new ATOM 0 HA LEU B 37 161.696 7.224 20.399 1.00 0.48 H new ATOM 0 HB2 LEU B 37 159.655 5.754 20.362 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.333 7.464 20.152 1.00 0.65 H new ATOM 0 HG LEU B 37 159.685 5.964 17.627 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.438 4.956 17.715 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.526 4.257 18.938 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.291 5.445 19.420 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.708 7.297 16.994 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.576 7.885 18.668 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.997 8.312 17.686 1.00 0.69 H new ATOM 1361 N VAL B 38 163.323 5.591 18.946 1.00 0.36 N ATOM 1362 CA VAL B 38 164.108 4.383 18.616 1.00 0.49 C ATOM 1363 C VAL B 38 163.738 3.241 19.582 1.00 0.67 C ATOM 1364 O VAL B 38 162.982 3.462 20.532 1.00 1.35 O ATOM 1365 CB VAL B 38 165.633 4.659 18.672 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.422 3.524 18.029 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.965 5.985 17.999 1.00 0.89 C ATOM 0 H VAL B 38 163.876 6.444 19.033 1.00 0.36 H new ATOM 0 HA VAL B 38 163.864 4.090 17.595 1.00 0.49 H new ATOM 0 HB VAL B 38 165.922 4.720 19.721 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.488 3.746 18.083 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.217 2.593 18.558 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.126 3.421 16.985 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.040 6.160 18.049 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.651 5.952 16.956 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.442 6.793 18.510 1.00 0.89 H new ATOM 1377 N ARG B 39 164.249 2.021 19.374 1.00 0.54 N ATOM 1378 CA ARG B 39 163.908 0.909 20.260 1.00 0.62 C ATOM 1379 C ARG B 39 164.489 1.092 21.660 1.00 0.51 C ATOM 1380 O ARG B 39 165.597 0.637 21.956 1.00 0.63 O ATOM 1381 CB ARG B 39 164.385 -0.415 19.656 1.00 0.93 C ATOM 1382 CG ARG B 39 163.296 -1.150 18.893 1.00 1.15 C ATOM 1383 CD ARG B 39 163.877 -2.171 17.931 1.00 1.41 C ATOM 1384 NE ARG B 39 163.508 -1.891 16.543 1.00 1.58 N ATOM 1385 CZ ARG B 39 164.106 -2.448 15.488 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.096 -3.320 15.658 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.710 -2.137 14.259 1.00 2.18 N ATOM 0 H ARG B 39 164.887 1.784 18.615 1.00 0.54 H new ATOM 0 HA ARG B 39 162.823 0.890 20.358 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.222 -0.221 18.985 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.758 -1.058 20.454 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.632 -1.650 19.598 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.691 -0.432 18.340 1.00 1.15 H new ATOM 0 HD2 ARG B 39 164.963 -2.178 18.023 1.00 1.41 H new ATOM 0 HD3 ARG B 39 163.528 -3.167 18.205 1.00 1.41 H new ATOM 0 HE ARG B 39 162.749 -1.231 16.372 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.402 -3.567 16.599 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.549 -3.742 14.847 1.00 2.06 H new ATOM 0 HH21 ARG B 39 162.949 -1.472 14.121 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.167 -2.563 13.453 1.00 2.18 H new ATOM 1401 N VAL B 40 163.717 1.752 22.520 1.00 0.43 N ATOM 1402 CA VAL B 40 164.119 1.997 23.901 1.00 0.56 C ATOM 1403 C VAL B 40 162.888 1.983 24.817 1.00 0.71 C ATOM 1404 O VAL B 40 162.567 2.982 25.466 1.00 1.15 O ATOM 1405 CB VAL B 40 164.875 3.343 24.059 1.00 0.60 C ATOM 1406 CG1 VAL B 40 165.511 3.433 25.438 1.00 1.04 C ATOM 1407 CG2 VAL B 40 165.935 3.518 22.973 1.00 0.65 C ATOM 0 H VAL B 40 162.800 2.130 22.280 1.00 0.43 H new ATOM 0 HA VAL B 40 164.803 1.198 24.188 1.00 0.56 H new ATOM 0 HB VAL B 40 164.149 4.149 23.950 1.00 0.60 H new ATOM 0 HG11 VAL B 40 166.038 4.382 25.534 1.00 1.04 H new ATOM 0 HG12 VAL B 40 164.735 3.369 26.201 1.00 1.04 H new ATOM 0 HG13 VAL B 40 166.216 2.612 25.568 1.00 1.04 H new ATOM 0 HG21 VAL B 40 166.446 4.471 23.113 1.00 0.65 H new ATOM 0 HG22 VAL B 40 166.659 2.706 23.037 1.00 0.65 H new ATOM 0 HG23 VAL B 40 165.458 3.503 21.993 1.00 0.65 H new ATOM 1417 N MET B 41 162.194 0.838 24.846 1.00 0.60 N ATOM 1418 CA MET B 41 160.985 0.677 25.662 1.00 0.74 C ATOM 1419 C MET B 41 161.213 -0.320 26.800 1.00 0.91 C ATOM 1420 O MET B 41 161.636 -1.462 26.515 1.00 0.91 O ATOM 1421 CB MET B 41 159.808 0.208 24.792 1.00 0.73 C ATOM 1422 CG MET B 41 159.718 0.908 23.442 1.00 0.74 C ATOM 1423 SD MET B 41 160.347 -0.115 22.092 1.00 0.86 S ATOM 1424 CE MET B 41 159.686 0.739 20.662 1.00 0.70 C ATOM 1425 OXT MET B 41 160.961 0.049 27.966 1.00 1.13 O ATOM 0 H MET B 41 162.451 0.008 24.312 1.00 0.60 H new ATOM 0 HA MET B 41 160.748 1.648 26.096 1.00 0.74 H new ATOM 0 HB2 MET B 41 159.896 -0.866 24.628 1.00 0.73 H new ATOM 0 HB3 MET B 41 158.879 0.372 25.337 1.00 0.73 H new ATOM 0 HG2 MET B 41 158.680 1.172 23.241 1.00 0.74 H new ATOM 0 HG3 MET B 41 160.282 1.840 23.481 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.993 0.220 19.754 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.598 0.756 20.719 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.064 1.761 20.641 1.00 0.70 H new