USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.499 K(o=-0.5,f=-2.9!) 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 66:sc= 0.22 USER MOD Single : A 25 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.33) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.017) 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 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HE2:sc= -0.149 K(o=-0.15,f=-1.2) 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 65:sc= 0.221 USER MOD Single : B 25 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.3) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 131.855 -18.888 -20.030 1.00 0.77 N ATOM 2 CA GLY A 1 131.135 -18.956 -18.726 1.00 0.81 C ATOM 3 C GLY A 1 130.834 -17.584 -18.149 1.00 0.65 C ATOM 4 O GLY A 1 130.318 -16.710 -18.850 1.00 0.70 O ATOM 0 H1 GLY A 1 132.035 -19.851 -20.378 1.00 0.77 H new ATOM 0 H2 GLY A 1 131.273 -18.373 -20.721 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.760 -18.392 -19.901 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.201 -19.502 -18.860 1.00 0.81 H new ATOM 0 HA3 GLY A 1 131.736 -19.521 -18.013 1.00 0.81 H new ATOM 10 N SER A 2 131.156 -17.394 -16.869 1.00 0.55 N ATOM 11 CA SER A 2 130.916 -16.117 -16.196 1.00 0.48 C ATOM 12 C SER A 2 132.221 -15.409 -15.836 1.00 0.47 C ATOM 13 O SER A 2 132.191 -14.352 -15.208 1.00 0.71 O ATOM 14 CB SER A 2 130.071 -16.327 -14.937 1.00 0.54 C ATOM 15 OG SER A 2 128.859 -16.997 -15.237 1.00 0.67 O ATOM 0 H SER A 2 131.583 -18.107 -16.278 1.00 0.55 H new ATOM 0 HA SER A 2 130.372 -15.480 -16.894 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.638 -16.906 -14.208 1.00 0.54 H new ATOM 0 HB3 SER A 2 129.852 -15.363 -14.478 1.00 0.54 H new ATOM 0 HG SER A 2 128.340 -17.119 -14.414 1.00 0.67 H new ATOM 21 N LEU A 3 133.362 -15.963 -16.259 1.00 0.38 N ATOM 22 CA LEU A 3 134.656 -15.335 -15.991 1.00 0.43 C ATOM 23 C LEU A 3 134.948 -14.292 -17.073 1.00 0.53 C ATOM 24 O LEU A 3 136.022 -14.277 -17.679 1.00 0.88 O ATOM 25 CB LEU A 3 135.789 -16.378 -15.910 1.00 0.48 C ATOM 26 CG LEU A 3 135.577 -17.672 -16.706 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.896 -18.173 -17.275 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.939 -18.742 -15.828 1.00 1.42 C ATOM 0 H LEU A 3 133.414 -16.836 -16.783 1.00 0.38 H new ATOM 0 HA LEU A 3 134.608 -14.843 -15.020 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.711 -15.910 -16.256 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.939 -16.641 -14.863 1.00 0.48 H new ATOM 0 HG LEU A 3 134.903 -17.456 -17.535 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.725 -19.092 -17.836 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.317 -17.417 -17.937 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.592 -18.370 -16.460 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.796 -19.653 -16.410 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.590 -18.952 -14.979 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.974 -18.388 -15.466 1.00 1.42 H new ATOM 40 N THR A 4 133.960 -13.428 -17.314 1.00 0.41 N ATOM 41 CA THR A 4 134.062 -12.382 -18.318 1.00 0.49 C ATOM 42 C THR A 4 133.812 -11.012 -17.689 1.00 0.39 C ATOM 43 O THR A 4 133.952 -10.848 -16.476 1.00 0.39 O ATOM 44 CB THR A 4 133.064 -12.655 -19.451 1.00 0.65 C ATOM 45 OG1 THR A 4 131.750 -12.805 -18.941 1.00 0.64 O ATOM 46 CG2 THR A 4 133.390 -13.902 -20.245 1.00 0.80 C ATOM 0 H THR A 4 133.070 -13.439 -16.816 1.00 0.41 H new ATOM 0 HA THR A 4 135.070 -12.381 -18.733 1.00 0.49 H new ATOM 0 HB THR A 4 133.134 -11.790 -20.111 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.130 -12.977 -19.680 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.646 -14.038 -21.030 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.378 -13.799 -20.694 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.381 -14.768 -19.583 1.00 0.80 H new ATOM 54 N TYR A 5 133.477 -10.026 -18.519 1.00 0.48 N ATOM 55 CA TYR A 5 133.241 -8.655 -18.059 1.00 0.46 C ATOM 56 C TYR A 5 132.139 -8.560 -17.002 1.00 0.42 C ATOM 57 O TYR A 5 132.132 -7.621 -16.203 1.00 0.47 O ATOM 58 CB TYR A 5 132.916 -7.761 -19.269 1.00 0.59 C ATOM 59 CG TYR A 5 131.935 -6.638 -18.995 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.374 -5.406 -18.530 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.573 -6.808 -19.216 1.00 0.81 C ATOM 62 CE1 TYR A 5 131.487 -4.375 -18.293 1.00 0.69 C ATOM 63 CE2 TYR A 5 129.679 -5.782 -18.978 1.00 0.90 C ATOM 64 CZ TYR A 5 130.142 -4.568 -18.519 1.00 0.65 C ATOM 65 OH TYR A 5 129.257 -3.539 -18.291 1.00 0.79 O ATOM 0 H TYR A 5 133.361 -10.152 -19.525 1.00 0.48 H new ATOM 0 HA TYR A 5 134.154 -8.308 -17.574 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.845 -7.328 -19.641 1.00 0.59 H new ATOM 0 HB3 TYR A 5 132.514 -8.387 -20.066 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.428 -5.251 -18.351 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.208 -7.757 -19.580 1.00 0.81 H new ATOM 0 HE1 TYR A 5 131.846 -3.422 -17.932 1.00 0.69 H new ATOM 0 HE2 TYR A 5 128.623 -5.931 -19.151 1.00 0.90 H new ATOM 0 HH TYR A 5 128.347 -3.838 -18.500 1.00 0.79 H new ATOM 75 N GLU A 6 131.219 -9.526 -16.974 1.00 0.48 N ATOM 76 CA GLU A 6 130.145 -9.515 -15.984 1.00 0.50 C ATOM 77 C GLU A 6 130.659 -9.941 -14.603 1.00 0.38 C ATOM 78 O GLU A 6 129.941 -9.828 -13.607 1.00 0.47 O ATOM 79 CB GLU A 6 129.000 -10.430 -16.427 1.00 0.60 C ATOM 80 CG GLU A 6 127.799 -9.680 -16.982 1.00 0.65 C ATOM 81 CD GLU A 6 126.491 -10.131 -16.360 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.147 -9.625 -15.271 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.811 -10.989 -16.961 1.00 1.16 O ATOM 0 H GLU A 6 131.197 -10.317 -17.618 1.00 0.48 H new ATOM 0 HA GLU A 6 129.772 -8.494 -15.907 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.370 -11.119 -17.186 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.680 -11.034 -15.578 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.930 -8.612 -16.808 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.752 -9.824 -18.061 1.00 0.65 H new ATOM 90 N GLU A 7 131.906 -10.422 -14.549 1.00 0.30 N ATOM 91 CA GLU A 7 132.517 -10.852 -13.294 1.00 0.29 C ATOM 92 C GLU A 7 133.452 -9.776 -12.744 1.00 0.28 C ATOM 93 O GLU A 7 133.589 -9.634 -11.527 1.00 0.46 O ATOM 94 CB GLU A 7 133.277 -12.165 -13.494 1.00 0.40 C ATOM 95 CG GLU A 7 133.936 -12.701 -12.231 1.00 0.56 C ATOM 96 CD GLU A 7 135.450 -12.681 -12.312 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.028 -13.640 -12.866 1.00 1.01 O ATOM 98 OE2 GLU A 7 136.058 -11.706 -11.823 1.00 0.81 O ATOM 0 H GLU A 7 132.510 -10.522 -15.364 1.00 0.30 H new ATOM 0 HA GLU A 7 131.721 -11.014 -12.567 1.00 0.29 H new ATOM 0 HB2 GLU A 7 132.587 -12.917 -13.878 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.043 -12.017 -14.255 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.613 -12.106 -11.376 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.598 -13.722 -12.054 1.00 0.56 H new ATOM 105 N VAL A 8 134.082 -9.004 -13.639 1.00 0.34 N ATOM 106 CA VAL A 8 134.983 -7.934 -13.220 1.00 0.36 C ATOM 107 C VAL A 8 134.186 -6.737 -12.702 1.00 0.28 C ATOM 108 O VAL A 8 134.589 -6.089 -11.737 1.00 0.39 O ATOM 109 CB VAL A 8 135.927 -7.492 -14.367 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.180 -6.698 -15.431 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.097 -6.690 -13.815 1.00 0.77 C ATOM 0 H VAL A 8 133.983 -9.103 -14.649 1.00 0.34 H new ATOM 0 HA VAL A 8 135.603 -8.327 -12.414 1.00 0.36 H new ATOM 0 HB VAL A 8 136.317 -8.391 -14.844 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.873 -6.405 -16.219 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.387 -7.314 -15.855 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.744 -5.806 -14.981 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.750 -6.388 -14.634 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.722 -5.803 -13.304 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.659 -7.304 -13.111 1.00 0.77 H new ATOM 121 N LEU A 9 133.051 -6.450 -13.347 1.00 0.36 N ATOM 122 CA LEU A 9 132.198 -5.336 -12.934 1.00 0.49 C ATOM 123 C LEU A 9 131.816 -5.473 -11.461 1.00 0.53 C ATOM 124 O LEU A 9 131.861 -4.498 -10.709 1.00 0.73 O ATOM 125 CB LEU A 9 130.934 -5.272 -13.798 1.00 0.66 C ATOM 126 CG LEU A 9 130.685 -3.929 -14.489 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.321 -3.925 -15.162 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.792 -2.780 -13.493 1.00 0.72 C ATOM 0 H LEU A 9 132.705 -6.971 -14.152 1.00 0.36 H new ATOM 0 HA LEU A 9 132.759 -4.411 -13.069 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.994 -6.049 -14.560 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.073 -5.506 -13.172 1.00 0.66 H new ATOM 0 HG LEU A 9 131.450 -3.790 -15.253 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.158 -2.963 -15.649 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.280 -4.720 -15.906 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.546 -4.088 -14.414 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.611 -1.836 -14.006 1.00 0.72 H new ATOM 0 HD22 LEU A 9 130.051 -2.912 -12.704 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.790 -2.770 -13.055 1.00 0.72 H new ATOM 140 N GLN A 10 131.447 -6.694 -11.051 1.00 0.42 N ATOM 141 CA GLN A 10 131.068 -6.965 -9.663 1.00 0.49 C ATOM 142 C GLN A 10 132.231 -6.703 -8.702 1.00 0.43 C ATOM 143 O GLN A 10 132.021 -6.521 -7.502 1.00 0.50 O ATOM 144 CB GLN A 10 130.593 -8.414 -9.517 1.00 0.60 C ATOM 145 CG GLN A 10 129.147 -8.624 -9.937 1.00 0.69 C ATOM 146 CD GLN A 10 128.196 -8.658 -8.755 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.466 -7.699 -8.504 1.00 1.31 O ATOM 148 NE2 GLN A 10 128.202 -9.765 -8.018 1.00 0.84 N ATOM 0 H GLN A 10 131.404 -7.509 -11.663 1.00 0.42 H new ATOM 0 HA GLN A 10 130.254 -6.287 -9.404 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.234 -9.060 -10.116 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.710 -8.723 -8.478 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.850 -7.824 -10.615 1.00 0.69 H new ATOM 0 HG3 GLN A 10 129.065 -9.559 -10.491 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.823 -10.536 -8.262 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.585 -9.843 -7.209 1.00 0.84 H new ATOM 157 N GLU A 11 133.457 -6.677 -9.231 1.00 0.41 N ATOM 158 CA GLU A 11 134.635 -6.421 -8.410 1.00 0.44 C ATOM 159 C GLU A 11 134.643 -4.972 -7.935 1.00 0.40 C ATOM 160 O GLU A 11 134.765 -4.714 -6.735 1.00 0.56 O ATOM 161 CB GLU A 11 135.919 -6.726 -9.186 1.00 0.52 C ATOM 162 CG GLU A 11 136.773 -7.813 -8.554 1.00 0.63 C ATOM 163 CD GLU A 11 137.640 -8.538 -9.567 1.00 1.02 C ATOM 164 OE1 GLU A 11 137.080 -9.246 -10.431 1.00 1.64 O ATOM 165 OE2 GLU A 11 138.879 -8.398 -9.496 1.00 1.54 O ATOM 0 H GLU A 11 133.656 -6.830 -10.220 1.00 0.41 H new ATOM 0 HA GLU A 11 134.594 -7.079 -7.542 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.657 -7.026 -10.200 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.510 -5.813 -9.266 1.00 0.52 H new ATOM 0 HG2 GLU A 11 137.409 -7.370 -7.788 1.00 0.63 H new ATOM 0 HG3 GLU A 11 136.126 -8.533 -8.054 1.00 0.63 H new ATOM 172 N LEU A 12 134.524 -4.026 -8.879 1.00 0.34 N ATOM 173 CA LEU A 12 134.526 -2.597 -8.565 1.00 0.34 C ATOM 174 C LEU A 12 133.665 -2.262 -7.346 1.00 0.31 C ATOM 175 O LEU A 12 134.131 -1.568 -6.440 1.00 0.39 O ATOM 176 CB LEU A 12 134.044 -1.791 -9.780 1.00 0.36 C ATOM 177 CG LEU A 12 135.037 -0.754 -10.318 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.379 0.267 -9.242 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.299 -1.435 -10.833 1.00 0.59 C ATOM 0 H LEU A 12 134.425 -4.232 -9.873 1.00 0.34 H new ATOM 0 HA LEU A 12 135.553 -2.325 -8.321 1.00 0.34 H new ATOM 0 HB2 LEU A 12 133.801 -2.487 -10.583 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.120 -1.279 -9.511 1.00 0.36 H new ATOM 0 HG LEU A 12 134.568 -0.230 -11.151 1.00 0.44 H new ATOM 0 HD11 LEU A 12 136.085 0.995 -9.642 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.471 0.779 -8.924 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.827 -0.241 -8.388 1.00 0.65 H new ATOM 0 HD21 LEU A 12 136.991 -0.682 -11.210 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.772 -1.987 -10.021 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.039 -2.124 -11.637 1.00 0.59 H new ATOM 191 N VAL A 13 132.411 -2.739 -7.320 1.00 0.26 N ATOM 192 CA VAL A 13 131.530 -2.452 -6.187 1.00 0.26 C ATOM 193 C VAL A 13 132.169 -2.949 -4.892 1.00 0.22 C ATOM 194 O VAL A 13 132.431 -2.151 -3.992 1.00 0.24 O ATOM 195 CB VAL A 13 130.101 -3.041 -6.353 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.131 -4.524 -6.691 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.268 -2.793 -5.100 1.00 0.53 C ATOM 0 H VAL A 13 131.995 -3.312 -8.054 1.00 0.26 H new ATOM 0 HA VAL A 13 131.408 -1.370 -6.147 1.00 0.26 H new ATOM 0 HB VAL A 13 129.634 -2.526 -7.193 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.111 -4.894 -6.798 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.671 -4.673 -7.626 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.633 -5.069 -5.892 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.271 -3.213 -5.237 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.748 -3.268 -4.244 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.189 -1.721 -4.922 1.00 0.53 H new ATOM 207 N LYS A 14 132.426 -4.264 -4.801 1.00 0.24 N ATOM 208 CA LYS A 14 133.046 -4.859 -3.616 1.00 0.23 C ATOM 209 C LYS A 14 134.212 -4.010 -3.113 1.00 0.21 C ATOM 210 O LYS A 14 134.348 -3.787 -1.910 1.00 0.28 O ATOM 211 CB LYS A 14 133.535 -6.276 -3.933 1.00 0.30 C ATOM 212 CG LYS A 14 133.174 -7.304 -2.875 1.00 0.84 C ATOM 213 CD LYS A 14 133.553 -8.708 -3.318 1.00 0.68 C ATOM 214 CE LYS A 14 133.360 -9.717 -2.199 1.00 0.73 C ATOM 215 NZ LYS A 14 133.003 -11.066 -2.717 1.00 0.75 N ATOM 0 H LYS A 14 132.211 -4.934 -5.540 1.00 0.24 H new ATOM 0 HA LYS A 14 132.292 -4.902 -2.830 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.114 -6.590 -4.888 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.618 -6.257 -4.053 1.00 0.30 H new ATOM 0 HG2 LYS A 14 133.685 -7.064 -1.942 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.104 -7.261 -2.673 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.947 -8.996 -4.177 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.593 -8.719 -3.644 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.275 -9.785 -1.611 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.576 -9.368 -1.528 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.881 -11.723 -1.920 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.116 -11.007 -3.256 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.763 -11.412 -3.337 1.00 0.75 H new ATOM 229 N HIS A 15 135.038 -3.515 -4.042 1.00 0.25 N ATOM 230 CA HIS A 15 136.166 -2.668 -3.675 1.00 0.27 C ATOM 231 C HIS A 15 135.653 -1.386 -3.032 1.00 0.23 C ATOM 232 O HIS A 15 135.834 -1.180 -1.830 1.00 0.43 O ATOM 233 CB HIS A 15 137.026 -2.342 -4.897 1.00 0.33 C ATOM 234 CG HIS A 15 137.903 -3.477 -5.319 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.001 -3.887 -4.593 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.833 -4.300 -6.390 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.569 -4.913 -5.200 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.879 -5.185 -6.292 1.00 0.72 N ATOM 0 H HIS A 15 134.944 -3.687 -5.043 1.00 0.25 H new ATOM 0 HA HIS A 15 136.789 -3.206 -2.961 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.376 -2.065 -5.727 1.00 0.33 H new ATOM 0 HB3 HIS A 15 137.647 -1.474 -4.675 1.00 0.33 H new ATOM 0 HD1 HIS A 15 139.324 -3.464 -3.723 1.00 0.85 H new ATOM 0 HD2 HIS A 15 137.093 -4.267 -7.176 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.449 -5.440 -4.861 1.00 0.88 H new ATOM 247 N LYS A 16 135.029 -0.519 -3.840 1.00 0.21 N ATOM 248 CA LYS A 16 134.493 0.754 -3.354 1.00 0.25 C ATOM 249 C LYS A 16 133.774 0.600 -2.017 1.00 0.32 C ATOM 250 O LYS A 16 133.963 1.418 -1.115 1.00 0.62 O ATOM 251 CB LYS A 16 133.533 1.354 -4.384 1.00 0.37 C ATOM 252 CG LYS A 16 134.216 1.808 -5.664 1.00 0.50 C ATOM 253 CD LYS A 16 133.215 2.022 -6.790 1.00 0.57 C ATOM 254 CE LYS A 16 133.077 3.495 -7.147 1.00 0.59 C ATOM 255 NZ LYS A 16 131.764 4.054 -6.719 1.00 0.66 N ATOM 0 H LYS A 16 134.884 -0.679 -4.837 1.00 0.21 H new ATOM 0 HA LYS A 16 135.340 1.423 -3.205 1.00 0.25 H new ATOM 0 HB2 LYS A 16 132.771 0.615 -4.632 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.018 2.204 -3.936 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.758 2.735 -5.478 1.00 0.50 H new ATOM 0 HG3 LYS A 16 134.952 1.063 -5.968 1.00 0.50 H new ATOM 0 HD2 LYS A 16 133.532 1.462 -7.670 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.243 1.627 -6.493 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.882 4.059 -6.675 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.190 3.619 -8.224 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.712 5.059 -6.982 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 130.996 3.534 -7.188 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.666 3.960 -5.688 1.00 0.66 H new ATOM 269 N GLU A 17 132.959 -0.451 -1.885 1.00 0.32 N ATOM 270 CA GLU A 17 132.233 -0.696 -0.644 1.00 0.39 C ATOM 271 C GLU A 17 133.224 -0.952 0.488 1.00 0.32 C ATOM 272 O GLU A 17 133.255 -0.206 1.463 1.00 0.40 O ATOM 273 CB GLU A 17 131.286 -1.887 -0.818 1.00 0.51 C ATOM 274 CG GLU A 17 129.875 -1.631 -0.314 1.00 0.80 C ATOM 275 CD GLU A 17 128.850 -2.523 -0.988 1.00 1.08 C ATOM 276 OE1 GLU A 17 128.308 -2.117 -2.038 1.00 1.43 O ATOM 277 OE2 GLU A 17 128.594 -3.630 -0.469 1.00 1.47 O ATOM 0 H GLU A 17 132.789 -1.139 -2.619 1.00 0.32 H new ATOM 0 HA GLU A 17 131.636 0.181 -0.393 1.00 0.39 H new ATOM 0 HB2 GLU A 17 131.241 -2.152 -1.874 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.699 -2.747 -0.291 1.00 0.51 H new ATOM 0 HG2 GLU A 17 129.842 -1.794 0.763 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.614 -0.587 -0.487 1.00 0.80 H new ATOM 284 N LEU A 18 134.026 -2.015 0.354 1.00 0.32 N ATOM 285 CA LEU A 18 135.026 -2.369 1.366 1.00 0.34 C ATOM 286 C LEU A 18 135.750 -1.129 1.895 1.00 0.33 C ATOM 287 O LEU A 18 135.956 -0.997 3.102 1.00 0.66 O ATOM 288 CB LEU A 18 136.046 -3.347 0.783 1.00 0.53 C ATOM 289 CG LEU A 18 135.624 -4.816 0.808 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.443 -5.625 -0.189 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.768 -5.387 2.212 1.00 0.79 C ATOM 0 H LEU A 18 134.001 -2.646 -0.447 1.00 0.32 H new ATOM 0 HA LEU A 18 134.501 -2.841 2.197 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.251 -3.062 -0.249 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.981 -3.244 1.334 1.00 0.53 H new ATOM 0 HG LEU A 18 134.575 -4.879 0.518 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.128 -6.668 -0.157 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.288 -5.230 -1.193 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.500 -5.557 0.068 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.463 -6.434 2.212 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.808 -5.312 2.531 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.136 -4.825 2.900 1.00 0.79 H new ATOM 303 N LEU A 19 136.121 -0.214 0.991 1.00 0.43 N ATOM 304 CA LEU A 19 136.805 1.020 1.378 1.00 0.44 C ATOM 305 C LEU A 19 135.852 1.957 2.122 1.00 0.30 C ATOM 306 O LEU A 19 136.252 2.632 3.073 1.00 0.45 O ATOM 307 CB LEU A 19 137.372 1.726 0.140 1.00 0.57 C ATOM 308 CG LEU A 19 138.892 1.633 -0.020 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.281 1.664 -1.492 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.578 2.759 0.740 1.00 0.94 C ATOM 0 H LEU A 19 135.958 -0.307 -0.012 1.00 0.43 H new ATOM 0 HA LEU A 19 137.627 0.759 2.045 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.902 1.303 -0.748 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.090 2.778 0.179 1.00 0.57 H new ATOM 0 HG LEU A 19 139.223 0.683 0.400 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.365 1.597 -1.583 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.820 0.821 -2.008 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.936 2.596 -1.940 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.658 2.677 0.615 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.239 3.719 0.351 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.329 2.688 1.799 1.00 0.94 H new ATOM 322 N ARG A 20 134.585 1.984 1.690 1.00 0.32 N ATOM 323 CA ARG A 20 133.570 2.822 2.323 1.00 0.50 C ATOM 324 C ARG A 20 133.368 2.404 3.778 1.00 0.40 C ATOM 325 O ARG A 20 133.584 3.207 4.687 1.00 0.47 O ATOM 326 CB ARG A 20 132.244 2.739 1.560 1.00 0.78 C ATOM 327 CG ARG A 20 132.171 3.667 0.358 1.00 0.89 C ATOM 328 CD ARG A 20 131.304 4.883 0.643 1.00 0.98 C ATOM 329 NE ARG A 20 131.679 6.033 -0.179 1.00 1.06 N ATOM 330 CZ ARG A 20 131.308 6.201 -1.452 1.00 1.17 C ATOM 331 NH1 ARG A 20 130.555 5.289 -2.066 1.00 1.74 N ATOM 332 NH2 ARG A 20 131.693 7.285 -2.115 1.00 1.60 N ATOM 0 H ARG A 20 134.242 1.433 0.903 1.00 0.32 H new ATOM 0 HA ARG A 20 133.917 3.855 2.299 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.091 1.713 1.225 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.427 2.977 2.242 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.176 3.991 0.086 1.00 0.89 H new ATOM 0 HG3 ARG A 20 131.768 3.125 -0.498 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.259 4.633 0.460 1.00 0.98 H new ATOM 0 HD3 ARG A 20 131.389 5.149 1.697 1.00 0.98 H new ATOM 0 HE ARG A 20 132.262 6.754 0.247 1.00 1.06 H new ATOM 0 HH11 ARG A 20 130.256 4.453 -1.564 1.00 1.74 H new ATOM 0 HH12 ARG A 20 130.278 5.427 -3.038 1.00 1.74 H new ATOM 0 HH21 ARG A 20 132.271 7.987 -1.653 1.00 1.60 H new ATOM 0 HH22 ARG A 20 131.411 7.416 -3.087 1.00 1.60 H new ATOM 346 N ARG A 21 132.963 1.144 4.001 1.00 0.36 N ATOM 347 CA ARG A 21 132.752 0.629 5.355 1.00 0.37 C ATOM 348 C ARG A 21 134.017 0.792 6.195 1.00 0.35 C ATOM 349 O ARG A 21 133.944 1.128 7.377 1.00 0.49 O ATOM 350 CB ARG A 21 132.344 -0.848 5.306 1.00 0.47 C ATOM 351 CG ARG A 21 131.846 -1.393 6.637 1.00 0.71 C ATOM 352 CD ARG A 21 132.217 -2.859 6.815 1.00 0.94 C ATOM 353 NE ARG A 21 131.108 -3.647 7.354 1.00 0.95 N ATOM 354 CZ ARG A 21 130.137 -4.185 6.608 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.127 -4.023 5.287 1.00 2.03 N ATOM 356 NH2 ARG A 21 129.171 -4.889 7.188 1.00 1.50 N ATOM 0 H ARG A 21 132.777 0.468 3.261 1.00 0.36 H new ATOM 0 HA ARG A 21 131.949 1.203 5.818 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.562 -0.975 4.557 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.198 -1.440 4.978 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.271 -0.808 7.453 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.763 -1.281 6.695 1.00 0.71 H new ATOM 0 HD2 ARG A 21 132.523 -3.274 5.855 1.00 0.94 H new ATOM 0 HD3 ARG A 21 133.075 -2.937 7.483 1.00 0.94 H new ATOM 0 HE ARG A 21 131.073 -3.795 8.363 1.00 0.95 H new ATOM 0 HH11 ARG A 21 130.865 -3.484 4.834 1.00 2.03 H new ATOM 0 HH12 ARG A 21 129.382 -4.438 4.728 1.00 2.03 H new ATOM 0 HH21 ARG A 21 129.171 -5.018 8.200 1.00 1.50 H new ATOM 0 HH22 ARG A 21 128.429 -5.300 6.621 1.00 1.50 H new ATOM 370 N LYS A 22 135.177 0.578 5.567 1.00 0.33 N ATOM 371 CA LYS A 22 136.457 0.731 6.249 1.00 0.41 C ATOM 372 C LYS A 22 136.522 2.112 6.887 1.00 0.34 C ATOM 373 O LYS A 22 136.749 2.241 8.092 1.00 0.36 O ATOM 374 CB LYS A 22 137.621 0.548 5.268 1.00 0.56 C ATOM 375 CG LYS A 22 138.559 -0.590 5.638 1.00 0.77 C ATOM 376 CD LYS A 22 139.662 -0.760 4.605 1.00 0.95 C ATOM 377 CE LYS A 22 140.726 0.320 4.738 1.00 0.76 C ATOM 378 NZ LYS A 22 141.866 -0.119 5.591 1.00 0.71 N ATOM 0 H LYS A 22 135.252 0.299 4.589 1.00 0.33 H new ATOM 0 HA LYS A 22 136.542 -0.034 7.021 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.219 0.366 4.271 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.191 1.475 5.218 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.001 -0.396 6.615 1.00 0.77 H new ATOM 0 HG3 LYS A 22 137.992 -1.517 5.723 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.122 -1.741 4.722 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.232 -0.727 3.604 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.096 0.587 3.748 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.279 1.218 5.165 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.567 0.647 5.655 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.518 -0.350 6.544 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.310 -0.961 5.171 1.00 0.71 H new ATOM 392 N ASP A 23 136.302 3.144 6.067 1.00 0.34 N ATOM 393 CA ASP A 23 136.312 4.521 6.542 1.00 0.32 C ATOM 394 C ASP A 23 135.194 4.758 7.558 1.00 0.29 C ATOM 395 O ASP A 23 135.311 5.637 8.413 1.00 0.34 O ATOM 396 CB ASP A 23 136.165 5.495 5.365 1.00 0.37 C ATOM 397 CG ASP A 23 137.448 6.249 5.074 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.695 7.279 5.737 1.00 1.15 O ATOM 399 OD2 ASP A 23 138.208 5.808 4.186 1.00 1.17 O ATOM 0 H ASP A 23 136.115 3.046 5.069 1.00 0.34 H new ATOM 0 HA ASP A 23 137.268 4.700 7.034 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.862 4.943 4.476 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.370 6.208 5.584 1.00 0.37 H new ATOM 404 N THR A 24 134.109 3.972 7.472 1.00 0.27 N ATOM 405 CA THR A 24 133.006 4.131 8.410 1.00 0.28 C ATOM 406 C THR A 24 133.449 3.692 9.804 1.00 0.27 C ATOM 407 O THR A 24 133.456 4.506 10.722 1.00 0.32 O ATOM 408 CB THR A 24 131.782 3.327 7.950 1.00 0.31 C ATOM 409 OG1 THR A 24 131.292 3.817 6.712 1.00 0.52 O ATOM 410 CG2 THR A 24 130.636 3.354 8.941 1.00 0.53 C ATOM 0 H THR A 24 133.980 3.238 6.776 1.00 0.27 H new ATOM 0 HA THR A 24 132.721 5.182 8.445 1.00 0.28 H new ATOM 0 HB THR A 24 132.134 2.300 7.856 1.00 0.31 H new ATOM 0 HG1 THR A 24 131.954 3.650 6.009 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.805 2.766 8.552 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.966 2.932 9.890 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.312 4.383 9.094 1.00 0.53 H new ATOM 418 N HIS A 25 133.788 2.403 9.976 1.00 0.27 N ATOM 419 CA HIS A 25 134.205 1.873 11.282 1.00 0.31 C ATOM 420 C HIS A 25 135.153 2.814 12.028 1.00 0.33 C ATOM 421 O HIS A 25 134.901 3.156 13.183 1.00 0.43 O ATOM 422 CB HIS A 25 134.878 0.506 11.108 1.00 0.37 C ATOM 423 CG HIS A 25 134.134 -0.623 11.753 1.00 0.38 C ATOM 424 ND1 HIS A 25 133.520 -0.520 12.985 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.913 -1.891 11.331 1.00 0.92 C ATOM 426 CE1 HIS A 25 132.958 -1.675 13.291 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.181 -2.522 12.304 1.00 0.75 N ATOM 0 H HIS A 25 133.781 1.711 9.227 1.00 0.27 H new ATOM 0 HA HIS A 25 133.301 1.775 11.882 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.984 0.297 10.043 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.884 0.551 11.526 1.00 0.37 H new ATOM 0 HD2 HIS A 25 134.251 -2.324 10.401 1.00 0.92 H new ATOM 0 HE1 HIS A 25 132.409 -1.890 14.196 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.861 -3.490 12.270 1.00 0.75 H new ATOM 436 N ILE A 26 136.243 3.226 11.371 1.00 0.31 N ATOM 437 CA ILE A 26 137.218 4.127 11.999 1.00 0.35 C ATOM 438 C ILE A 26 136.547 5.394 12.542 1.00 0.34 C ATOM 439 O ILE A 26 137.045 6.010 13.483 1.00 0.46 O ATOM 440 CB ILE A 26 138.358 4.520 11.031 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.792 5.186 9.776 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.193 3.298 10.665 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.662 6.299 9.236 1.00 0.68 C ATOM 0 H ILE A 26 136.472 2.954 10.415 1.00 0.31 H new ATOM 0 HA ILE A 26 137.651 3.572 12.831 1.00 0.35 H new ATOM 0 HB ILE A 26 139.006 5.238 11.534 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.661 4.430 9.001 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.803 5.586 10.002 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.991 3.593 9.983 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.628 2.871 11.569 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.558 2.555 10.181 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.198 6.724 8.346 1.00 0.68 H new ATOM 0 HD12 ILE A 26 138.773 7.075 9.994 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.643 5.901 8.978 1.00 0.68 H new ATOM 455 N ARG A 27 135.415 5.774 11.943 1.00 0.29 N ATOM 456 CA ARG A 27 134.671 6.958 12.364 1.00 0.35 C ATOM 457 C ARG A 27 133.646 6.607 13.448 1.00 0.34 C ATOM 458 O ARG A 27 133.441 7.381 14.384 1.00 0.39 O ATOM 459 CB ARG A 27 133.972 7.595 11.159 1.00 0.44 C ATOM 460 CG ARG A 27 133.125 8.811 11.507 1.00 0.52 C ATOM 461 CD ARG A 27 131.639 8.525 11.344 1.00 0.81 C ATOM 462 NE ARG A 27 130.889 9.723 10.967 1.00 0.91 N ATOM 463 CZ ARG A 27 129.635 9.978 11.353 1.00 0.92 C ATOM 464 NH1 ARG A 27 128.973 9.118 12.125 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.037 11.099 10.961 1.00 1.68 N ATOM 0 H ARG A 27 134.994 5.273 11.160 1.00 0.29 H new ATOM 0 HA ARG A 27 135.377 7.673 12.786 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.725 7.887 10.427 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.338 6.847 10.683 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.327 9.114 12.534 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.407 9.647 10.867 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.499 7.756 10.585 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.242 8.127 12.278 1.00 0.81 H new ATOM 0 HE ARG A 27 131.353 10.408 10.371 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.423 8.254 12.428 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.016 9.323 12.413 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.535 11.762 10.367 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.080 11.296 11.254 1.00 1.68 H new ATOM 479 N GLU A 28 133.008 5.437 13.323 1.00 0.33 N ATOM 480 CA GLU A 28 132.014 4.997 14.304 1.00 0.38 C ATOM 481 C GLU A 28 132.680 4.645 15.635 1.00 0.37 C ATOM 482 O GLU A 28 132.122 4.907 16.702 1.00 0.47 O ATOM 483 CB GLU A 28 131.197 3.810 13.757 1.00 0.48 C ATOM 484 CG GLU A 28 131.802 2.434 14.024 1.00 0.81 C ATOM 485 CD GLU A 28 131.285 1.805 15.308 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.081 1.479 15.370 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.086 1.637 16.251 1.00 1.85 O ATOM 0 H GLU A 28 133.162 4.783 12.556 1.00 0.33 H new ATOM 0 HA GLU A 28 131.325 5.822 14.486 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.199 3.843 14.194 1.00 0.48 H new ATOM 0 HB3 GLU A 28 131.078 3.935 12.681 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.578 1.774 13.185 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.887 2.523 14.079 1.00 0.81 H new ATOM 494 N LEU A 29 133.885 4.067 15.569 1.00 0.34 N ATOM 495 CA LEU A 29 134.629 3.704 16.774 1.00 0.38 C ATOM 496 C LEU A 29 135.162 4.949 17.497 1.00 0.42 C ATOM 497 O LEU A 29 135.754 4.840 18.572 1.00 0.80 O ATOM 498 CB LEU A 29 135.783 2.759 16.429 1.00 0.48 C ATOM 499 CG LEU A 29 135.768 1.419 17.171 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.035 0.362 16.355 1.00 0.84 C ATOM 501 CD2 LEU A 29 137.187 0.966 17.485 1.00 0.58 C ATOM 0 H LEU A 29 134.362 3.842 14.696 1.00 0.34 H new ATOM 0 HA LEU A 29 133.941 3.191 17.446 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.764 2.563 15.357 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.724 3.266 16.644 1.00 0.48 H new ATOM 0 HG LEU A 29 135.235 1.554 18.112 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.035 -0.583 16.899 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.007 0.682 16.184 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.537 0.229 15.397 1.00 0.84 H new ATOM 0 HD21 LEU A 29 137.156 0.012 18.012 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.746 0.849 16.556 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.677 1.711 18.112 1.00 0.58 H new ATOM 513 N GLU A 30 134.926 6.135 16.916 1.00 0.42 N ATOM 514 CA GLU A 30 135.356 7.390 17.528 1.00 0.46 C ATOM 515 C GLU A 30 134.336 7.831 18.578 1.00 0.46 C ATOM 516 O GLU A 30 134.683 8.519 19.538 1.00 0.61 O ATOM 517 CB GLU A 30 135.541 8.485 16.471 1.00 0.51 C ATOM 518 CG GLU A 30 136.789 8.305 15.621 1.00 0.57 C ATOM 519 CD GLU A 30 138.058 8.706 16.352 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.626 7.852 17.066 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.484 9.872 16.211 1.00 1.24 O ATOM 0 H GLU A 30 134.441 6.246 16.026 1.00 0.42 H new ATOM 0 HA GLU A 30 136.319 7.225 18.011 1.00 0.46 H new ATOM 0 HB2 GLU A 30 134.667 8.501 15.820 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.586 9.454 16.968 1.00 0.51 H new ATOM 0 HG2 GLU A 30 136.866 7.262 15.312 1.00 0.57 H new ATOM 0 HG3 GLU A 30 136.694 8.900 14.713 1.00 0.57 H new ATOM 528 N ASP A 31 133.081 7.393 18.403 1.00 0.43 N ATOM 529 CA ASP A 31 132.009 7.700 19.347 1.00 0.58 C ATOM 530 C ASP A 31 132.022 6.691 20.500 1.00 0.59 C ATOM 531 O ASP A 31 131.570 6.990 21.607 1.00 0.78 O ATOM 532 CB ASP A 31 130.650 7.676 18.640 1.00 0.71 C ATOM 533 CG ASP A 31 129.701 8.731 19.174 1.00 1.27 C ATOM 534 OD1 ASP A 31 128.992 8.446 20.162 1.00 1.65 O ATOM 535 OD2 ASP A 31 129.667 9.843 18.606 1.00 1.73 O ATOM 0 H ASP A 31 132.787 6.822 17.610 1.00 0.43 H new ATOM 0 HA ASP A 31 132.173 8.700 19.749 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.797 7.831 17.571 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.199 6.691 18.760 1.00 0.71 H new ATOM 540 N TYR A 32 132.575 5.504 20.229 1.00 0.51 N ATOM 541 CA TYR A 32 132.690 4.453 21.236 1.00 0.56 C ATOM 542 C TYR A 32 133.791 4.814 22.231 1.00 0.55 C ATOM 543 O TYR A 32 133.630 4.637 23.439 1.00 0.64 O ATOM 544 CB TYR A 32 132.988 3.099 20.580 1.00 0.61 C ATOM 545 CG TYR A 32 131.754 2.307 20.190 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.487 2.673 20.635 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.863 1.180 19.387 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.370 1.939 20.288 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.750 0.439 19.039 1.00 1.19 C ATOM 550 CZ TYR A 32 129.506 0.823 19.492 1.00 1.23 C ATOM 551 OH TYR A 32 128.397 0.084 19.154 1.00 1.55 O ATOM 0 H TYR A 32 132.950 5.250 19.315 1.00 0.51 H new ATOM 0 HA TYR A 32 131.741 4.370 21.765 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.594 3.266 19.690 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.587 2.500 21.266 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.376 3.545 21.262 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.835 0.877 19.028 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.394 2.239 20.639 1.00 1.38 H new ATOM 0 HE2 TYR A 32 130.854 -0.437 18.415 1.00 1.19 H new ATOM 0 HH TYR A 32 128.666 -0.669 18.588 1.00 1.55 H new ATOM 561 N ILE A 33 134.898 5.345 21.710 1.00 0.53 N ATOM 562 CA ILE A 33 136.023 5.767 22.542 1.00 0.62 C ATOM 563 C ILE A 33 135.765 7.154 23.150 1.00 0.58 C ATOM 564 O ILE A 33 136.252 7.462 24.238 1.00 0.77 O ATOM 565 CB ILE A 33 137.337 5.835 21.728 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.650 4.484 21.082 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.492 6.280 22.618 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.555 4.587 19.872 1.00 0.85 C ATOM 0 H ILE A 33 135.039 5.493 20.711 1.00 0.53 H new ATOM 0 HA ILE A 33 136.123 5.023 23.333 1.00 0.62 H new ATOM 0 HB ILE A 33 137.206 6.569 20.933 1.00 0.75 H new ATOM 0 HG12 ILE A 33 138.119 3.836 21.823 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.716 4.006 20.787 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.409 6.323 22.030 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.277 7.267 23.027 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.617 5.569 23.434 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.734 3.591 19.466 1.00 0.85 H new ATOM 0 HD12 ILE A 33 138.079 5.208 19.113 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.504 5.036 20.165 1.00 0.85 H new ATOM 580 N ASP A 34 134.934 7.951 22.461 1.00 0.49 N ATOM 581 CA ASP A 34 134.555 9.278 22.943 1.00 0.54 C ATOM 582 C ASP A 34 133.994 9.207 24.367 1.00 0.44 C ATOM 583 O ASP A 34 134.317 10.044 25.198 1.00 0.47 O ATOM 584 CB ASP A 34 133.530 9.926 22.014 1.00 0.75 C ATOM 585 CG ASP A 34 134.060 11.192 21.365 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.506 12.100 22.101 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.030 11.276 20.120 1.00 1.49 O ATOM 0 H ASP A 34 134.514 7.695 21.568 1.00 0.49 H new ATOM 0 HA ASP A 34 135.456 9.892 22.953 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.245 9.215 21.239 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.628 10.160 22.579 1.00 0.75 H new ATOM 592 N ASN A 35 133.154 8.201 24.632 1.00 0.53 N ATOM 593 CA ASN A 35 132.542 8.012 25.952 1.00 0.57 C ATOM 594 C ASN A 35 133.537 8.310 27.079 1.00 0.47 C ATOM 595 O ASN A 35 133.175 8.917 28.088 1.00 0.58 O ATOM 596 CB ASN A 35 132.001 6.587 26.092 1.00 0.74 C ATOM 597 CG ASN A 35 130.617 6.551 26.714 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.657 7.079 26.149 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.503 5.928 27.883 1.00 1.32 N ATOM 0 H ASN A 35 132.881 7.500 23.944 1.00 0.53 H new ATOM 0 HA ASN A 35 131.715 8.717 26.037 1.00 0.57 H new ATOM 0 HB2 ASN A 35 131.967 6.116 25.109 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.686 6.000 26.703 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.596 5.874 28.346 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.323 5.504 28.317 1.00 1.32 H new ATOM 606 N LEU A 36 134.794 7.899 26.889 1.00 0.42 N ATOM 607 CA LEU A 36 135.843 8.143 27.878 1.00 0.47 C ATOM 608 C LEU A 36 136.152 9.640 27.962 1.00 0.42 C ATOM 609 O LEU A 36 136.189 10.216 29.051 1.00 0.53 O ATOM 610 CB LEU A 36 137.115 7.364 27.520 1.00 0.66 C ATOM 611 CG LEU A 36 136.898 5.902 27.113 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.166 5.326 26.498 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.455 5.073 28.310 1.00 1.66 C ATOM 0 H LEU A 36 135.108 7.396 26.059 1.00 0.42 H new ATOM 0 HA LEU A 36 135.487 7.799 28.849 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.619 7.880 26.703 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.789 7.389 28.376 1.00 0.66 H new ATOM 0 HG LEU A 36 136.108 5.867 26.363 1.00 0.85 H new ATOM 0 HD11 LEU A 36 137.994 4.288 26.215 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.436 5.903 25.614 1.00 1.04 H new ATOM 0 HD13 LEU A 36 138.977 5.374 27.224 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.306 4.038 28.001 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.221 5.114 29.084 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.520 5.472 28.703 1.00 1.66 H new ATOM 625 N LEU A 37 136.355 10.263 26.797 1.00 0.36 N ATOM 626 CA LEU A 37 136.641 11.694 26.715 1.00 0.40 C ATOM 627 C LEU A 37 135.524 12.426 25.954 1.00 0.32 C ATOM 628 O LEU A 37 135.761 13.038 24.910 1.00 0.42 O ATOM 629 CB LEU A 37 137.999 11.930 26.040 1.00 0.56 C ATOM 630 CG LEU A 37 138.174 11.267 24.668 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.805 12.238 23.680 1.00 0.73 C ATOM 632 CD2 LEU A 37 139.013 10.001 24.789 1.00 0.63 C ATOM 0 H LEU A 37 136.326 9.792 25.893 1.00 0.36 H new ATOM 0 HA LEU A 37 136.684 12.096 27.727 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.148 13.004 25.928 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.784 11.567 26.703 1.00 0.56 H new ATOM 0 HG LEU A 37 137.189 10.990 24.292 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.921 11.749 22.713 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.164 13.113 23.570 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.783 12.549 24.049 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.126 9.544 23.806 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.996 10.253 25.188 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.518 9.299 25.460 1.00 0.63 H new ATOM 644 N VAL A 38 134.301 12.335 26.489 1.00 0.29 N ATOM 645 CA VAL A 38 133.119 12.967 25.890 1.00 0.41 C ATOM 646 C VAL A 38 132.039 13.195 26.958 1.00 0.38 C ATOM 647 O VAL A 38 132.245 12.873 28.130 1.00 0.61 O ATOM 648 CB VAL A 38 132.542 12.133 24.716 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.539 11.096 25.208 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.909 13.042 23.669 1.00 0.99 C ATOM 0 H VAL A 38 134.103 11.822 27.348 1.00 0.29 H new ATOM 0 HA VAL A 38 133.435 13.928 25.484 1.00 0.41 H new ATOM 0 HB VAL A 38 133.370 11.597 24.252 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.155 10.530 24.359 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.030 10.417 25.905 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.714 11.599 25.712 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.511 12.437 22.855 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.101 13.614 24.125 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.662 13.726 23.278 1.00 0.99 H new ATOM 660 N ARG A 39 130.884 13.727 26.549 1.00 0.44 N ATOM 661 CA ARG A 39 129.780 13.961 27.476 1.00 0.47 C ATOM 662 C ARG A 39 129.070 12.642 27.792 1.00 0.53 C ATOM 663 O ARG A 39 128.328 12.112 26.963 1.00 0.86 O ATOM 664 CB ARG A 39 128.788 14.970 26.880 1.00 0.59 C ATOM 665 CG ARG A 39 127.470 15.068 27.639 1.00 0.75 C ATOM 666 CD ARG A 39 127.562 16.039 28.806 1.00 0.97 C ATOM 667 NE ARG A 39 127.071 17.372 28.454 1.00 0.93 N ATOM 668 CZ ARG A 39 126.852 18.347 29.340 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.082 18.148 30.636 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.403 19.528 28.928 1.00 1.48 N ATOM 0 H ARG A 39 130.692 14.002 25.586 1.00 0.44 H new ATOM 0 HA ARG A 39 130.181 14.374 28.401 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.256 15.954 26.858 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.580 14.692 25.847 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.682 15.391 26.959 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.189 14.082 28.008 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.986 15.651 29.646 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.598 16.111 29.136 1.00 0.97 H new ATOM 0 HE ARG A 39 126.884 17.569 27.471 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.428 17.245 30.960 1.00 1.27 H new ATOM 0 HH12 ARG A 39 126.912 18.899 31.305 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.226 19.689 27.936 1.00 1.48 H new ATOM 0 HH22 ARG A 39 126.235 20.274 29.603 1.00 1.48 H new ATOM 684 N VAL A 40 129.312 12.113 28.992 1.00 0.46 N ATOM 685 CA VAL A 40 128.703 10.851 29.414 1.00 0.53 C ATOM 686 C VAL A 40 127.268 11.055 29.901 1.00 0.53 C ATOM 687 O VAL A 40 126.896 12.149 30.332 1.00 0.66 O ATOM 688 CB VAL A 40 129.522 10.164 30.530 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.850 9.657 29.984 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.744 11.107 31.706 1.00 0.78 C ATOM 0 H VAL A 40 129.925 12.538 29.688 1.00 0.46 H new ATOM 0 HA VAL A 40 128.694 10.207 28.535 1.00 0.53 H new ATOM 0 HB VAL A 40 128.951 9.309 30.892 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.413 9.176 30.784 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.665 8.936 29.187 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.425 10.495 29.589 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.323 10.598 32.476 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.287 11.989 31.367 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.781 11.410 32.117 1.00 0.78 H new ATOM 700 N MET A 41 126.467 9.990 29.827 1.00 0.53 N ATOM 701 CA MET A 41 125.070 10.040 30.257 1.00 0.60 C ATOM 702 C MET A 41 124.754 8.899 31.221 1.00 0.86 C ATOM 703 O MET A 41 123.872 9.018 32.072 1.00 1.20 O ATOM 704 CB MET A 41 124.134 9.977 29.045 1.00 0.75 C ATOM 705 CG MET A 41 124.388 8.787 28.131 1.00 0.56 C ATOM 706 SD MET A 41 122.974 8.402 27.081 1.00 0.67 S ATOM 707 CE MET A 41 123.033 9.763 25.918 1.00 0.54 C ATOM 0 H MET A 41 126.764 9.081 29.472 1.00 0.53 H new ATOM 0 HA MET A 41 124.912 10.985 30.778 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.103 9.939 29.396 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.241 10.895 28.468 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.255 8.994 27.504 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.634 7.915 28.737 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.218 9.665 25.201 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.932 10.706 26.456 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.985 9.748 25.388 1.00 0.54 H new TER 717 MET A 41 ATOM 718 N GLY B 1 134.856 4.650 -28.019 1.00 0.61 N ATOM 719 CA GLY B 1 136.279 4.276 -28.245 1.00 0.61 C ATOM 720 C GLY B 1 136.656 2.975 -27.563 1.00 0.52 C ATOM 721 O GLY B 1 136.498 1.897 -28.139 1.00 0.60 O ATOM 0 H1 GLY B 1 134.651 5.546 -28.506 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.237 3.903 -28.393 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.685 4.763 -26.999 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.462 4.187 -29.316 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.923 5.075 -27.877 1.00 0.61 H new ATOM 727 N SER B 2 137.155 3.080 -26.333 1.00 0.50 N ATOM 728 CA SER B 2 137.561 1.908 -25.558 1.00 0.49 C ATOM 729 C SER B 2 136.910 1.908 -24.180 1.00 0.47 C ATOM 730 O SER B 2 137.543 1.546 -23.190 1.00 0.63 O ATOM 731 CB SER B 2 139.086 1.864 -25.425 1.00 0.55 C ATOM 732 OG SER B 2 139.714 1.879 -26.696 1.00 0.67 O ATOM 0 H SER B 2 137.288 3.968 -25.850 1.00 0.50 H new ATOM 0 HA SER B 2 137.226 1.017 -26.090 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.427 2.717 -24.838 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.380 0.966 -24.882 1.00 0.55 H new ATOM 0 HG SER B 2 140.687 1.852 -26.581 1.00 0.67 H new ATOM 738 N LEU B 3 135.630 2.279 -24.126 1.00 0.48 N ATOM 739 CA LEU B 3 134.887 2.280 -22.869 1.00 0.55 C ATOM 740 C LEU B 3 134.240 0.909 -22.665 1.00 0.65 C ATOM 741 O LEU B 3 133.073 0.803 -22.285 1.00 1.02 O ATOM 742 CB LEU B 3 133.823 3.388 -22.874 1.00 0.62 C ATOM 743 CG LEU B 3 134.305 4.751 -22.368 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.009 5.515 -23.479 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.139 5.561 -21.818 1.00 0.76 C ATOM 0 H LEU B 3 135.089 2.581 -24.936 1.00 0.48 H new ATOM 0 HA LEU B 3 135.572 2.478 -22.044 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.448 3.507 -23.891 1.00 0.62 H new ATOM 0 HB3 LEU B 3 132.982 3.066 -22.260 1.00 0.62 H new ATOM 0 HG LEU B 3 135.018 4.584 -21.561 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.344 6.481 -23.101 1.00 0.61 H new ATOM 0 HD12 LEU B 3 135.869 4.943 -23.826 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.319 5.670 -24.308 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.501 6.526 -21.463 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.401 5.717 -22.605 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.678 5.020 -20.991 1.00 0.76 H new ATOM 757 N THR B 4 135.017 -0.140 -22.946 1.00 0.46 N ATOM 758 CA THR B 4 134.550 -1.512 -22.828 1.00 0.55 C ATOM 759 C THR B 4 135.309 -2.257 -21.730 1.00 0.42 C ATOM 760 O THR B 4 135.884 -1.639 -20.831 1.00 0.43 O ATOM 761 CB THR B 4 134.717 -2.225 -24.177 1.00 0.72 C ATOM 762 OG1 THR B 4 136.080 -2.246 -24.570 1.00 0.70 O ATOM 763 CG2 THR B 4 133.927 -1.582 -25.298 1.00 0.90 C ATOM 0 H THR B 4 135.984 -0.056 -23.260 1.00 0.46 H new ATOM 0 HA THR B 4 133.495 -1.503 -22.553 1.00 0.55 H new ATOM 0 HB THR B 4 134.336 -3.234 -24.017 1.00 0.72 H new ATOM 0 HG1 THR B 4 136.165 -2.706 -25.431 1.00 0.70 H new ATOM 0 HG21 THR B 4 134.090 -2.136 -26.222 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.866 -1.596 -25.050 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.255 -0.551 -25.430 1.00 0.90 H new ATOM 771 N TYR B 5 135.280 -3.588 -21.792 1.00 0.50 N ATOM 772 CA TYR B 5 135.935 -4.438 -20.796 1.00 0.45 C ATOM 773 C TYR B 5 137.444 -4.186 -20.695 1.00 0.41 C ATOM 774 O TYR B 5 138.041 -4.442 -19.648 1.00 0.46 O ATOM 775 CB TYR B 5 135.646 -5.915 -21.114 1.00 0.57 C ATOM 776 CG TYR B 5 136.762 -6.879 -20.764 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.851 -7.435 -19.494 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.716 -7.242 -21.707 1.00 0.80 C ATOM 779 CE1 TYR B 5 137.856 -8.326 -19.175 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.726 -8.130 -21.393 1.00 0.92 C ATOM 781 CZ TYR B 5 138.790 -8.669 -20.126 1.00 0.67 C ATOM 782 OH TYR B 5 139.788 -9.562 -19.812 1.00 0.84 O ATOM 0 H TYR B 5 134.804 -4.106 -22.530 1.00 0.50 H new ATOM 0 HA TYR B 5 135.521 -4.182 -19.821 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.746 -6.216 -20.579 1.00 0.57 H new ATOM 0 HB3 TYR B 5 135.429 -6.006 -22.178 1.00 0.57 H new ATOM 0 HD1 TYR B 5 136.122 -7.166 -18.744 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.667 -6.823 -22.701 1.00 0.80 H new ATOM 0 HE1 TYR B 5 137.909 -8.752 -18.184 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.462 -8.401 -22.136 1.00 0.92 H new ATOM 0 HH TYR B 5 140.364 -9.698 -20.594 1.00 0.84 H new ATOM 792 N GLU B 6 138.061 -3.676 -21.763 1.00 0.49 N ATOM 793 CA GLU B 6 139.495 -3.395 -21.740 1.00 0.50 C ATOM 794 C GLU B 6 139.799 -2.120 -20.941 1.00 0.38 C ATOM 795 O GLU B 6 140.962 -1.819 -20.662 1.00 0.44 O ATOM 796 CB GLU B 6 140.037 -3.260 -23.165 1.00 0.62 C ATOM 797 CG GLU B 6 140.807 -4.481 -23.645 1.00 0.68 C ATOM 798 CD GLU B 6 142.154 -4.123 -24.244 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.124 -3.967 -23.473 1.00 1.01 O ATOM 800 OE2 GLU B 6 142.237 -3.997 -25.484 1.00 1.14 O ATOM 0 H GLU B 6 137.596 -3.452 -22.643 1.00 0.49 H new ATOM 0 HA GLU B 6 139.990 -4.233 -21.248 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.205 -3.076 -23.845 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.689 -2.388 -23.215 1.00 0.62 H new ATOM 0 HG2 GLU B 6 140.955 -5.164 -22.809 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.212 -5.012 -24.389 1.00 0.68 H new ATOM 807 N GLU B 7 138.746 -1.388 -20.556 1.00 0.32 N ATOM 808 CA GLU B 7 138.897 -0.166 -19.772 1.00 0.29 C ATOM 809 C GLU B 7 138.613 -0.423 -18.291 1.00 0.27 C ATOM 810 O GLU B 7 139.213 0.215 -17.423 1.00 0.43 O ATOM 811 CB GLU B 7 137.975 0.928 -20.312 1.00 0.43 C ATOM 812 CG GLU B 7 138.078 2.252 -19.570 1.00 0.57 C ATOM 813 CD GLU B 7 136.808 2.595 -18.817 1.00 0.72 C ATOM 814 OE1 GLU B 7 135.884 3.163 -19.438 1.00 1.00 O ATOM 815 OE2 GLU B 7 136.736 2.295 -17.606 1.00 0.80 O ATOM 0 H GLU B 7 137.779 -1.626 -20.778 1.00 0.32 H new ATOM 0 HA GLU B 7 139.930 0.170 -19.862 1.00 0.29 H new ATOM 0 HB2 GLU B 7 138.205 1.095 -21.364 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.945 0.576 -20.263 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.912 2.208 -18.869 1.00 0.57 H new ATOM 0 HG3 GLU B 7 138.301 3.047 -20.281 1.00 0.57 H new ATOM 822 N VAL B 8 137.708 -1.367 -18.004 1.00 0.35 N ATOM 823 CA VAL B 8 137.371 -1.703 -16.624 1.00 0.37 C ATOM 824 C VAL B 8 138.484 -2.535 -15.988 1.00 0.28 C ATOM 825 O VAL B 8 138.799 -2.360 -14.811 1.00 0.40 O ATOM 826 CB VAL B 8 136.022 -2.456 -16.525 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.142 -3.885 -17.037 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.504 -2.436 -15.092 1.00 0.78 C ATOM 0 H VAL B 8 137.202 -1.906 -18.707 1.00 0.35 H new ATOM 0 HA VAL B 8 137.268 -0.765 -16.079 1.00 0.37 H new ATOM 0 HB VAL B 8 135.303 -1.939 -17.161 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.177 -4.384 -16.953 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.454 -3.872 -18.081 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.882 -4.423 -16.444 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.555 -2.970 -15.041 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.228 -2.920 -14.437 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.358 -1.404 -14.772 1.00 0.78 H new ATOM 838 N LEU B 9 139.085 -3.432 -16.776 1.00 0.35 N ATOM 839 CA LEU B 9 140.175 -4.273 -16.285 1.00 0.49 C ATOM 840 C LEU B 9 141.302 -3.412 -15.711 1.00 0.52 C ATOM 841 O LEU B 9 141.834 -3.709 -14.641 1.00 0.74 O ATOM 842 CB LEU B 9 140.719 -5.164 -17.405 1.00 0.65 C ATOM 843 CG LEU B 9 140.728 -6.665 -17.098 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.452 -7.425 -18.198 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.374 -6.936 -15.745 1.00 0.76 C ATOM 0 H LEU B 9 138.835 -3.592 -17.752 1.00 0.35 H new ATOM 0 HA LEU B 9 139.779 -4.909 -15.493 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.123 -4.997 -18.302 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.737 -4.850 -17.635 1.00 0.65 H new ATOM 0 HG LEU B 9 139.696 -7.013 -17.057 1.00 0.65 H new ATOM 0 HD11 LEU B 9 141.450 -8.490 -17.966 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.945 -7.260 -19.149 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.480 -7.071 -18.269 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.369 -8.008 -15.548 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.402 -6.573 -15.753 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.814 -6.421 -14.965 1.00 0.76 H new ATOM 857 N GLN B 10 141.651 -2.335 -16.427 1.00 0.41 N ATOM 858 CA GLN B 10 142.704 -1.418 -15.986 1.00 0.48 C ATOM 859 C GLN B 10 142.345 -0.749 -14.656 1.00 0.42 C ATOM 860 O GLN B 10 143.222 -0.246 -13.952 1.00 0.48 O ATOM 861 CB GLN B 10 142.959 -0.350 -17.053 1.00 0.58 C ATOM 862 CG GLN B 10 143.862 -0.821 -18.181 1.00 0.66 C ATOM 863 CD GLN B 10 145.297 -0.361 -18.009 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.173 -1.146 -17.644 1.00 1.32 O ATOM 865 NE2 GLN B 10 145.547 0.919 -18.268 1.00 0.83 N ATOM 0 H GLN B 10 141.218 -2.079 -17.314 1.00 0.41 H new ATOM 0 HA GLN B 10 143.611 -2.004 -15.837 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.004 -0.031 -17.472 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.407 0.524 -16.581 1.00 0.58 H new ATOM 0 HG2 GLN B 10 143.837 -1.910 -18.231 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.476 -0.449 -19.130 1.00 0.66 H new ATOM 0 HE21 GLN B 10 144.792 1.536 -18.568 1.00 0.83 H new ATOM 0 HE22 GLN B 10 146.494 1.284 -18.167 1.00 0.83 H new ATOM 874 N GLU B 11 141.055 -0.749 -14.309 1.00 0.40 N ATOM 875 CA GLU B 11 140.604 -0.151 -13.058 1.00 0.42 C ATOM 876 C GLU B 11 141.079 -0.982 -11.871 1.00 0.37 C ATOM 877 O GLU B 11 141.697 -0.448 -10.948 1.00 0.54 O ATOM 878 CB GLU B 11 139.077 -0.025 -13.033 1.00 0.48 C ATOM 879 CG GLU B 11 138.582 1.407 -12.899 1.00 0.62 C ATOM 880 CD GLU B 11 137.199 1.604 -13.490 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.059 1.495 -14.727 1.00 1.61 O ATOM 882 OE2 GLU B 11 136.255 1.868 -12.715 1.00 1.53 O ATOM 0 H GLU B 11 140.311 -1.155 -14.876 1.00 0.40 H new ATOM 0 HA GLU B 11 141.034 0.848 -12.986 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.671 -0.456 -13.948 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.687 -0.614 -12.203 1.00 0.48 H new ATOM 0 HG2 GLU B 11 138.566 1.685 -11.845 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.284 2.078 -13.395 1.00 0.62 H new ATOM 889 N LEU B 12 140.780 -2.291 -11.895 1.00 0.32 N ATOM 890 CA LEU B 12 141.166 -3.204 -10.819 1.00 0.30 C ATOM 891 C LEU B 12 142.605 -2.987 -10.348 1.00 0.28 C ATOM 892 O LEU B 12 142.843 -2.864 -9.145 1.00 0.36 O ATOM 893 CB LEU B 12 140.986 -4.658 -11.274 1.00 0.32 C ATOM 894 CG LEU B 12 140.031 -5.501 -10.423 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.514 -5.565 -8.981 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.616 -4.941 -10.491 1.00 0.54 C ATOM 0 H LEU B 12 140.268 -2.738 -12.656 1.00 0.32 H new ATOM 0 HA LEU B 12 140.512 -2.992 -9.973 1.00 0.30 H new ATOM 0 HB2 LEU B 12 140.624 -4.657 -12.302 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.963 -5.142 -11.281 1.00 0.32 H new ATOM 0 HG LEU B 12 140.017 -6.514 -10.825 1.00 0.38 H new ATOM 0 HD11 LEU B 12 139.823 -6.168 -8.392 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.506 -6.015 -8.949 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.559 -4.558 -8.567 1.00 0.62 H new ATOM 0 HD21 LEU B 12 137.953 -5.553 -9.880 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.612 -3.917 -10.117 1.00 0.54 H new ATOM 0 HD23 LEU B 12 138.270 -4.951 -11.525 1.00 0.54 H new ATOM 908 N VAL B 13 143.566 -2.938 -11.284 1.00 0.25 N ATOM 909 CA VAL B 13 144.964 -2.731 -10.902 1.00 0.26 C ATOM 910 C VAL B 13 145.103 -1.423 -10.127 1.00 0.22 C ATOM 911 O VAL B 13 145.520 -1.440 -8.969 1.00 0.26 O ATOM 912 CB VAL B 13 145.942 -2.758 -12.110 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.507 -1.810 -13.218 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.364 -2.441 -11.660 1.00 0.52 C ATOM 0 H VAL B 13 143.403 -3.037 -12.286 1.00 0.25 H new ATOM 0 HA VAL B 13 145.246 -3.569 -10.265 1.00 0.26 H new ATOM 0 HB VAL B 13 145.921 -3.768 -12.520 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.219 -1.862 -14.041 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.518 -2.097 -13.575 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.472 -0.791 -12.832 1.00 0.62 H new ATOM 0 HG21 VAL B 13 148.032 -2.465 -12.521 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.390 -1.449 -11.208 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.688 -3.182 -10.929 1.00 0.52 H new ATOM 924 N LYS B 14 144.755 -0.292 -10.761 1.00 0.24 N ATOM 925 CA LYS B 14 144.839 1.021 -10.117 1.00 0.25 C ATOM 926 C LYS B 14 144.306 0.971 -8.686 1.00 0.22 C ATOM 927 O LYS B 14 144.910 1.539 -7.776 1.00 0.29 O ATOM 928 CB LYS B 14 144.052 2.054 -10.932 1.00 0.34 C ATOM 929 CG LYS B 14 144.793 3.363 -11.148 1.00 0.87 C ATOM 930 CD LYS B 14 144.028 4.282 -12.085 1.00 0.75 C ATOM 931 CE LYS B 14 144.670 5.658 -12.164 1.00 0.70 C ATOM 932 NZ LYS B 14 144.467 6.296 -13.496 1.00 0.72 N ATOM 0 H LYS B 14 144.412 -0.265 -11.721 1.00 0.24 H new ATOM 0 HA LYS B 14 145.889 1.312 -10.078 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.804 1.624 -11.902 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.110 2.261 -10.425 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.944 3.861 -10.190 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.781 3.160 -11.561 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.991 3.839 -13.080 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.998 4.379 -11.741 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.250 6.298 -11.388 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.738 5.571 -11.963 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.921 7.232 -13.505 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.890 5.699 -14.235 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.449 6.403 -13.678 1.00 0.72 H new ATOM 946 N HIS B 15 143.181 0.274 -8.489 1.00 0.24 N ATOM 947 CA HIS B 15 142.596 0.140 -7.161 1.00 0.27 C ATOM 948 C HIS B 15 143.563 -0.605 -6.250 1.00 0.25 C ATOM 949 O HIS B 15 144.130 -0.012 -5.331 1.00 0.45 O ATOM 950 CB HIS B 15 141.256 -0.590 -7.222 1.00 0.33 C ATOM 951 CG HIS B 15 140.138 0.269 -7.720 1.00 0.47 C ATOM 952 ND1 HIS B 15 139.599 1.301 -6.982 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.467 0.257 -8.895 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.644 1.887 -7.681 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.544 1.274 -8.846 1.00 0.76 N ATOM 0 H HIS B 15 142.665 -0.201 -9.230 1.00 0.24 H new ATOM 0 HA HIS B 15 142.415 1.137 -6.759 1.00 0.27 H new ATOM 0 HB2 HIS B 15 141.353 -1.460 -7.871 1.00 0.33 H new ATOM 0 HB3 HIS B 15 141.006 -0.960 -6.228 1.00 0.33 H new ATOM 0 HD1 HIS B 15 139.892 1.570 -6.043 1.00 0.85 H new ATOM 0 HD2 HIS B 15 139.627 -0.424 -9.718 1.00 0.74 H new ATOM 0 HE1 HIS B 15 138.046 2.725 -7.355 1.00 0.89 H new ATOM 964 N LYS B 16 143.741 -1.908 -6.506 1.00 0.21 N ATOM 965 CA LYS B 16 144.639 -2.745 -5.708 1.00 0.27 C ATOM 966 C LYS B 16 145.959 -2.039 -5.401 1.00 0.36 C ATOM 967 O LYS B 16 146.437 -2.089 -4.267 1.00 0.69 O ATOM 968 CB LYS B 16 144.923 -4.062 -6.433 1.00 0.35 C ATOM 969 CG LYS B 16 143.711 -4.974 -6.539 1.00 0.46 C ATOM 970 CD LYS B 16 143.917 -6.062 -7.583 1.00 0.49 C ATOM 971 CE LYS B 16 144.043 -7.437 -6.942 1.00 0.53 C ATOM 972 NZ LYS B 16 145.433 -7.967 -7.028 1.00 0.61 N ATOM 0 H LYS B 16 143.272 -2.404 -7.263 1.00 0.21 H new ATOM 0 HA LYS B 16 144.135 -2.945 -4.762 1.00 0.27 H new ATOM 0 HB2 LYS B 16 145.291 -3.843 -7.435 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.720 -4.590 -5.910 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.514 -5.432 -5.570 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.832 -4.383 -6.797 1.00 0.46 H new ATOM 0 HD2 LYS B 16 143.080 -6.061 -8.281 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.815 -5.846 -8.162 1.00 0.49 H new ATOM 0 HE2 LYS B 16 143.741 -7.379 -5.896 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.360 -8.130 -7.433 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.475 -8.905 -6.580 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.713 -8.047 -8.026 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.082 -7.319 -6.538 1.00 0.61 H new ATOM 986 N GLU B 17 146.539 -1.374 -6.405 1.00 0.30 N ATOM 987 CA GLU B 17 147.795 -0.657 -6.213 1.00 0.38 C ATOM 988 C GLU B 17 147.594 0.464 -5.197 1.00 0.32 C ATOM 989 O GLU B 17 148.232 0.469 -4.148 1.00 0.40 O ATOM 990 CB GLU B 17 148.288 -0.099 -7.550 1.00 0.51 C ATOM 991 CG GLU B 17 149.755 -0.380 -7.831 1.00 0.80 C ATOM 992 CD GLU B 17 150.072 -0.363 -9.315 1.00 1.10 C ATOM 993 OE1 GLU B 17 149.977 -1.432 -9.955 1.00 1.47 O ATOM 994 OE2 GLU B 17 150.410 0.720 -9.837 1.00 1.49 O ATOM 0 H GLU B 17 146.159 -1.320 -7.350 1.00 0.30 H new ATOM 0 HA GLU B 17 148.551 -1.342 -5.830 1.00 0.38 H new ATOM 0 HB2 GLU B 17 147.686 -0.524 -8.354 1.00 0.51 H new ATOM 0 HB3 GLU B 17 148.125 0.979 -7.565 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.369 0.363 -7.322 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.022 -1.352 -7.416 1.00 0.80 H new ATOM 1001 N LEU B 18 146.712 1.418 -5.521 1.00 0.32 N ATOM 1002 CA LEU B 18 146.423 2.547 -4.631 1.00 0.34 C ATOM 1003 C LEU B 18 146.320 2.098 -3.171 1.00 0.35 C ATOM 1004 O LEU B 18 146.855 2.755 -2.279 1.00 0.66 O ATOM 1005 CB LEU B 18 145.121 3.230 -5.051 1.00 0.51 C ATOM 1006 CG LEU B 18 145.260 4.259 -6.175 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.913 4.516 -6.834 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.855 5.553 -5.638 1.00 0.75 C ATOM 0 H LEU B 18 146.186 1.429 -6.395 1.00 0.32 H new ATOM 0 HA LEU B 18 147.249 3.253 -4.713 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.413 2.464 -5.367 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.690 3.723 -4.180 1.00 0.51 H new ATOM 0 HG LEU B 18 145.936 3.859 -6.931 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.032 5.250 -7.631 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.529 3.586 -7.252 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.211 4.897 -6.092 1.00 0.81 H new ATOM 0 HD21 LEU B 18 145.948 6.275 -6.449 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.204 5.959 -4.864 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.840 5.353 -5.216 1.00 0.75 H new ATOM 1020 N LEU B 19 145.640 0.968 -2.934 1.00 0.45 N ATOM 1021 CA LEU B 19 145.486 0.428 -1.584 1.00 0.47 C ATOM 1022 C LEU B 19 146.816 -0.116 -1.060 1.00 0.33 C ATOM 1023 O LEU B 19 147.131 0.029 0.123 1.00 0.45 O ATOM 1024 CB LEU B 19 144.428 -0.681 -1.569 1.00 0.63 C ATOM 1025 CG LEU B 19 143.092 -0.295 -0.929 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.948 -1.072 -1.564 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.134 -0.531 0.575 1.00 0.96 C ATOM 0 H LEU B 19 145.189 0.413 -3.662 1.00 0.45 H new ATOM 0 HA LEU B 19 145.161 1.239 -0.932 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.243 -0.999 -2.595 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.833 -1.541 -1.036 1.00 0.63 H new ATOM 0 HG LEU B 19 142.920 0.767 -1.105 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.007 -0.783 -1.095 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.905 -0.850 -2.630 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.111 -2.140 -1.422 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.176 -0.251 1.014 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.330 -1.585 0.773 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.926 0.074 1.016 1.00 0.96 H new ATOM 1039 N ARG B 20 147.604 -0.723 -1.955 1.00 0.35 N ATOM 1040 CA ARG B 20 148.910 -1.267 -1.592 1.00 0.49 C ATOM 1041 C ARG B 20 149.837 -0.154 -1.112 1.00 0.40 C ATOM 1042 O ARG B 20 150.294 -0.180 0.032 1.00 0.49 O ATOM 1043 CB ARG B 20 149.540 -2.004 -2.779 1.00 0.76 C ATOM 1044 CG ARG B 20 149.055 -3.436 -2.937 1.00 0.85 C ATOM 1045 CD ARG B 20 150.099 -4.435 -2.463 1.00 0.96 C ATOM 1046 NE ARG B 20 149.499 -5.696 -2.028 1.00 1.06 N ATOM 1047 CZ ARG B 20 149.103 -6.666 -2.858 1.00 1.13 C ATOM 1048 NH1 ARG B 20 149.231 -6.526 -4.176 1.00 1.68 N ATOM 1049 NH2 ARG B 20 148.575 -7.781 -2.366 1.00 1.59 N ATOM 0 H ARG B 20 147.356 -0.848 -2.936 1.00 0.35 H new ATOM 0 HA ARG B 20 148.767 -1.979 -0.779 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.322 -1.453 -3.694 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.623 -2.008 -2.659 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.134 -3.574 -2.370 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.816 -3.627 -3.983 1.00 0.85 H new ATOM 0 HD2 ARG B 20 150.806 -4.630 -3.270 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.667 -4.002 -1.640 1.00 0.96 H new ATOM 0 HE ARG B 20 149.375 -5.845 -1.027 1.00 1.06 H new ATOM 0 HH11 ARG B 20 149.635 -5.672 -4.561 1.00 1.68 H new ATOM 0 HH12 ARG B 20 148.926 -7.273 -4.800 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.473 -7.895 -1.358 1.00 1.59 H new ATOM 0 HH22 ARG B 20 148.272 -8.523 -2.997 1.00 1.59 H new ATOM 1063 N ARG B 21 150.105 0.835 -1.980 1.00 0.35 N ATOM 1064 CA ARG B 21 150.968 1.963 -1.621 1.00 0.35 C ATOM 1065 C ARG B 21 150.443 2.663 -0.370 1.00 0.34 C ATOM 1066 O ARG B 21 151.221 3.074 0.490 1.00 0.47 O ATOM 1067 CB ARG B 21 151.053 2.958 -2.784 1.00 0.45 C ATOM 1068 CG ARG B 21 152.131 4.019 -2.609 1.00 0.70 C ATOM 1069 CD ARG B 21 151.715 5.347 -3.228 1.00 0.98 C ATOM 1070 NE ARG B 21 152.803 5.968 -3.984 1.00 0.97 N ATOM 1071 CZ ARG B 21 153.088 5.686 -5.259 1.00 1.25 C ATOM 1072 NH1 ARG B 21 152.372 4.788 -5.932 1.00 2.12 N ATOM 1073 NH2 ARG B 21 154.096 6.304 -5.865 1.00 1.53 N ATOM 0 H ARG B 21 149.736 0.873 -2.930 1.00 0.35 H new ATOM 0 HA ARG B 21 151.966 1.579 -1.411 1.00 0.35 H new ATOM 0 HB2 ARG B 21 151.243 2.409 -3.706 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.087 3.450 -2.900 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.335 4.160 -1.548 1.00 0.70 H new ATOM 0 HG3 ARG B 21 153.058 3.677 -3.069 1.00 0.70 H new ATOM 0 HD2 ARG B 21 150.862 5.187 -3.887 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.387 6.026 -2.441 1.00 0.98 H new ATOM 0 HE ARG B 21 153.381 6.660 -3.508 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.597 4.307 -5.475 1.00 2.12 H new ATOM 0 HH12 ARG B 21 152.598 4.581 -6.905 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.651 6.993 -5.357 1.00 1.53 H new ATOM 0 HH22 ARG B 21 154.315 6.090 -6.838 1.00 1.53 H new ATOM 1087 N LYS B 22 149.115 2.775 -0.267 1.00 0.30 N ATOM 1088 CA LYS B 22 148.487 3.399 0.893 1.00 0.36 C ATOM 1089 C LYS B 22 148.996 2.730 2.163 1.00 0.31 C ATOM 1090 O LYS B 22 149.513 3.395 3.063 1.00 0.36 O ATOM 1091 CB LYS B 22 146.960 3.280 0.812 1.00 0.47 C ATOM 1092 CG LYS B 22 146.241 4.619 0.804 1.00 0.69 C ATOM 1093 CD LYS B 22 144.736 4.444 0.671 1.00 0.86 C ATOM 1094 CE LYS B 22 144.108 3.978 1.977 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.603 5.117 2.793 1.00 0.70 N ATOM 0 H LYS B 22 148.459 2.441 -0.973 1.00 0.30 H new ATOM 0 HA LYS B 22 148.746 4.458 0.909 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.695 2.730 -0.091 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.605 2.692 1.659 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.465 5.159 1.724 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.612 5.227 -0.021 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.285 5.388 0.366 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.521 3.720 -0.115 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.286 3.295 1.760 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.844 3.418 2.553 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 143.184 4.755 3.673 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.391 5.756 3.022 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.881 5.637 2.254 1.00 0.70 H new ATOM 1109 N ASP B 23 148.864 1.400 2.212 1.00 0.32 N ATOM 1110 CA ASP B 23 149.328 0.622 3.352 1.00 0.32 C ATOM 1111 C ASP B 23 150.845 0.736 3.511 1.00 0.30 C ATOM 1112 O ASP B 23 151.365 0.591 4.618 1.00 0.37 O ATOM 1113 CB ASP B 23 148.924 -0.849 3.198 1.00 0.36 C ATOM 1114 CG ASP B 23 147.830 -1.252 4.169 1.00 0.75 C ATOM 1115 OD1 ASP B 23 148.158 -1.590 5.326 1.00 1.11 O ATOM 1116 OD2 ASP B 23 146.646 -1.228 3.772 1.00 1.15 O ATOM 0 H ASP B 23 148.438 0.844 1.470 1.00 0.32 H new ATOM 0 HA ASP B 23 148.857 1.025 4.248 1.00 0.32 H new ATOM 0 HB2 ASP B 23 148.583 -1.025 2.178 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.798 -1.482 3.356 1.00 0.36 H new ATOM 1121 N THR B 24 151.560 0.998 2.406 1.00 0.28 N ATOM 1122 CA THR B 24 153.009 1.127 2.476 1.00 0.29 C ATOM 1123 C THR B 24 153.377 2.394 3.242 1.00 0.27 C ATOM 1124 O THR B 24 154.011 2.306 4.289 1.00 0.32 O ATOM 1125 CB THR B 24 153.623 1.147 1.069 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.391 -0.082 0.400 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.117 1.397 1.066 1.00 0.55 C ATOM 0 H THR B 24 151.162 1.121 1.475 1.00 0.28 H new ATOM 0 HA THR B 24 153.413 0.264 3.005 1.00 0.29 H new ATOM 0 HB THR B 24 153.133 1.975 0.556 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.430 -0.194 0.245 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.484 1.398 0.040 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.325 2.363 1.527 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.619 0.610 1.630 1.00 0.55 H new ATOM 1135 N HIS B 25 153.009 3.574 2.716 1.00 0.26 N ATOM 1136 CA HIS B 25 153.333 4.854 3.364 1.00 0.29 C ATOM 1137 C HIS B 25 153.125 4.821 4.878 1.00 0.31 C ATOM 1138 O HIS B 25 154.034 5.165 5.633 1.00 0.41 O ATOM 1139 CB HIS B 25 152.487 5.981 2.759 1.00 0.34 C ATOM 1140 CG HIS B 25 153.288 7.025 2.042 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.499 7.500 2.503 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.041 7.691 0.889 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.958 8.412 1.667 1.00 0.72 C ATOM 1144 NE2 HIS B 25 154.093 8.546 0.679 1.00 0.74 N ATOM 0 H HIS B 25 152.487 3.667 1.844 1.00 0.26 H new ATOM 0 HA HIS B 25 154.392 5.037 3.183 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.767 5.548 2.064 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.915 6.459 3.554 1.00 0.34 H new ATOM 0 HD2 HIS B 25 152.176 7.571 0.253 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.885 8.957 1.773 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.191 9.182 -0.112 1.00 0.74 H new ATOM 1153 N ILE B 26 151.931 4.414 5.321 1.00 0.29 N ATOM 1154 CA ILE B 26 151.628 4.352 6.757 1.00 0.35 C ATOM 1155 C ILE B 26 152.661 3.510 7.517 1.00 0.35 C ATOM 1156 O ILE B 26 152.881 3.719 8.709 1.00 0.47 O ATOM 1157 CB ILE B 26 150.213 3.792 7.030 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.058 2.397 6.421 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.149 4.738 6.489 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.212 1.461 7.255 1.00 0.68 C ATOM 0 H ILE B 26 151.164 4.125 4.714 1.00 0.29 H new ATOM 0 HA ILE B 26 151.670 5.379 7.118 1.00 0.35 H new ATOM 0 HB ILE B 26 150.079 3.709 8.109 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.613 2.490 5.430 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.046 1.957 6.286 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.160 4.327 6.691 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.244 5.709 6.975 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.280 4.856 5.413 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.147 0.492 6.761 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.667 1.337 8.238 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.212 1.878 7.368 1.00 0.68 H new ATOM 1172 N ARG B 27 153.299 2.570 6.814 1.00 0.31 N ATOM 1173 CA ARG B 27 154.316 1.709 7.411 1.00 0.37 C ATOM 1174 C ARG B 27 155.711 2.337 7.290 1.00 0.34 C ATOM 1175 O ARG B 27 156.522 2.233 8.210 1.00 0.39 O ATOM 1176 CB ARG B 27 154.295 0.331 6.743 1.00 0.46 C ATOM 1177 CG ARG B 27 155.358 -0.625 7.265 1.00 0.53 C ATOM 1178 CD ARG B 27 156.428 -0.899 6.217 1.00 0.80 C ATOM 1179 NE ARG B 27 156.999 -2.239 6.355 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.272 -2.546 6.086 1.00 0.92 C ATOM 1181 NH1 ARG B 27 159.119 -1.614 5.655 1.00 1.21 N ATOM 1182 NH2 ARG B 27 158.700 -3.794 6.247 1.00 1.67 N ATOM 0 H ARG B 27 153.126 2.388 5.826 1.00 0.31 H new ATOM 0 HA ARG B 27 154.088 1.595 8.471 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.313 -0.118 6.890 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.430 0.457 5.669 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.821 -0.203 8.157 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.890 -1.563 7.562 1.00 0.53 H new ATOM 0 HD2 ARG B 27 155.997 -0.789 5.222 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.221 -0.156 6.305 1.00 0.80 H new ATOM 0 HE ARG B 27 156.386 -2.988 6.677 1.00 0.90 H new ATOM 0 HH11 ARG B 27 158.799 -0.654 5.527 1.00 1.21 H new ATOM 0 HH12 ARG B 27 160.088 -1.860 5.453 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.058 -4.515 6.575 1.00 1.67 H new ATOM 0 HH22 ARG B 27 159.671 -4.031 6.042 1.00 1.67 H new ATOM 1196 N GLU B 28 155.984 2.991 6.154 1.00 0.33 N ATOM 1197 CA GLU B 28 157.282 3.633 5.932 1.00 0.36 C ATOM 1198 C GLU B 28 157.445 4.861 6.831 1.00 0.35 C ATOM 1199 O GLU B 28 158.540 5.131 7.327 1.00 0.44 O ATOM 1200 CB GLU B 28 157.458 4.005 4.447 1.00 0.47 C ATOM 1201 CG GLU B 28 156.917 5.378 4.059 1.00 0.78 C ATOM 1202 CD GLU B 28 157.970 6.471 4.144 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.933 6.433 3.349 1.00 1.62 O ATOM 1204 OE2 GLU B 28 157.831 7.365 5.005 1.00 1.79 O ATOM 0 H GLU B 28 155.327 3.088 5.380 1.00 0.33 H new ATOM 0 HA GLU B 28 158.064 2.921 6.196 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.519 3.966 4.201 1.00 0.47 H new ATOM 0 HB3 GLU B 28 156.962 3.250 3.837 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.525 5.335 3.043 1.00 0.78 H new ATOM 0 HG3 GLU B 28 156.082 5.632 4.712 1.00 0.78 H new ATOM 1211 N LEU B 29 156.345 5.587 7.062 1.00 0.33 N ATOM 1212 CA LEU B 29 156.370 6.767 7.926 1.00 0.38 C ATOM 1213 C LEU B 29 156.520 6.374 9.406 1.00 0.42 C ATOM 1214 O LEU B 29 156.634 7.243 10.273 1.00 0.79 O ATOM 1215 CB LEU B 29 155.099 7.599 7.733 1.00 0.46 C ATOM 1216 CG LEU B 29 155.335 9.055 7.321 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.312 9.194 5.805 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.295 9.965 7.961 1.00 0.59 C ATOM 0 H LEU B 29 155.430 5.377 6.663 1.00 0.33 H new ATOM 0 HA LEU B 29 157.236 7.366 7.643 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.480 7.119 6.975 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.531 7.588 8.663 1.00 0.46 H new ATOM 0 HG LEU B 29 156.320 9.358 7.675 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.482 10.236 5.533 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.096 8.573 5.371 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.342 8.873 5.425 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.478 10.996 7.658 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.299 9.663 7.638 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.363 9.889 9.046 1.00 0.59 H new ATOM 1230 N GLU B 30 156.565 5.063 9.681 1.00 0.43 N ATOM 1231 CA GLU B 30 156.750 4.570 11.043 1.00 0.45 C ATOM 1232 C GLU B 30 158.237 4.568 11.399 1.00 0.44 C ATOM 1233 O GLU B 30 158.601 4.694 12.568 1.00 0.58 O ATOM 1234 CB GLU B 30 156.163 3.165 11.208 1.00 0.51 C ATOM 1235 CG GLU B 30 154.643 3.143 11.251 1.00 0.58 C ATOM 1236 CD GLU B 30 154.088 3.602 12.587 1.00 0.93 C ATOM 1237 OE1 GLU B 30 153.906 4.826 12.766 1.00 1.35 O ATOM 1238 OE2 GLU B 30 153.835 2.740 13.455 1.00 1.26 O ATOM 0 H GLU B 30 156.476 4.331 8.977 1.00 0.43 H new ATOM 0 HA GLU B 30 156.219 5.237 11.723 1.00 0.45 H new ATOM 0 HB2 GLU B 30 156.504 2.538 10.384 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.551 2.723 12.126 1.00 0.51 H new ATOM 0 HG2 GLU B 30 154.252 3.783 10.460 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.292 2.132 11.045 1.00 0.58 H new ATOM 1245 N ASP B 31 159.092 4.469 10.371 1.00 0.41 N ATOM 1246 CA ASP B 31 160.541 4.499 10.555 1.00 0.55 C ATOM 1247 C ASP B 31 161.036 5.950 10.603 1.00 0.57 C ATOM 1248 O ASP B 31 162.074 6.244 11.198 1.00 0.76 O ATOM 1249 CB ASP B 31 161.238 3.740 9.421 1.00 0.69 C ATOM 1250 CG ASP B 31 162.466 2.988 9.897 1.00 1.28 C ATOM 1251 OD1 ASP B 31 163.559 3.593 9.925 1.00 1.66 O ATOM 1252 OD2 ASP B 31 162.335 1.795 10.242 1.00 1.74 O ATOM 0 H ASP B 31 158.798 4.367 9.400 1.00 0.41 H new ATOM 0 HA ASP B 31 160.783 4.012 11.500 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.536 3.037 8.973 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.526 4.444 8.640 1.00 0.69 H new ATOM 1257 N TYR B 32 160.257 6.850 9.992 1.00 0.49 N ATOM 1258 CA TYR B 32 160.579 8.274 9.980 1.00 0.56 C ATOM 1259 C TYR B 32 160.301 8.873 11.355 1.00 0.56 C ATOM 1260 O TYR B 32 161.091 9.665 11.869 1.00 0.67 O ATOM 1261 CB TYR B 32 159.767 9.008 8.908 1.00 0.60 C ATOM 1262 CG TYR B 32 160.431 9.058 7.545 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.763 8.696 7.372 1.00 1.15 C ATOM 1264 CD2 TYR B 32 159.721 9.483 6.430 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.364 8.758 6.131 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.316 9.550 5.186 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.638 9.187 5.041 1.00 1.21 C ATOM 1268 OH TYR B 32 162.237 9.259 3.806 1.00 1.53 O ATOM 0 H TYR B 32 159.397 6.612 9.499 1.00 0.49 H new ATOM 0 HA TYR B 32 161.636 8.391 9.742 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.796 8.522 8.808 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.580 10.027 9.245 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.337 8.361 8.223 1.00 1.15 H new ATOM 0 HD2 TYR B 32 158.684 9.766 6.538 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.399 8.472 6.015 1.00 1.37 H new ATOM 0 HE2 TYR B 32 159.748 9.885 4.330 1.00 1.17 H new ATOM 0 HH TYR B 32 161.587 9.579 3.146 1.00 1.53 H new ATOM 1278 N ILE B 33 159.183 8.460 11.957 1.00 0.54 N ATOM 1279 CA ILE B 33 158.807 8.921 13.287 1.00 0.64 C ATOM 1280 C ILE B 33 159.629 8.176 14.336 1.00 0.58 C ATOM 1281 O ILE B 33 159.890 8.704 15.421 1.00 0.78 O ATOM 1282 CB ILE B 33 157.295 8.739 13.553 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.475 9.485 12.494 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.931 9.231 14.948 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.071 8.946 12.323 1.00 0.87 C ATOM 0 H ILE B 33 158.523 7.804 11.539 1.00 0.54 H new ATOM 0 HA ILE B 33 159.017 9.989 13.349 1.00 0.64 H new ATOM 0 HB ILE B 33 157.061 7.676 13.492 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.420 10.539 12.766 1.00 0.84 H new ATOM 0 HG13 ILE B 33 156.995 9.429 11.538 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.863 9.094 15.115 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.490 8.663 15.692 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.179 10.289 15.037 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.551 9.522 11.558 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.117 7.900 12.020 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.533 9.027 13.267 1.00 0.87 H new ATOM 1297 N ASP B 34 159.990 6.921 14.034 1.00 0.46 N ATOM 1298 CA ASP B 34 160.754 6.084 14.965 1.00 0.50 C ATOM 1299 C ASP B 34 162.004 6.802 15.455 1.00 0.40 C ATOM 1300 O ASP B 34 162.341 6.720 16.627 1.00 0.45 O ATOM 1301 CB ASP B 34 161.148 4.760 14.293 1.00 0.69 C ATOM 1302 CG ASP B 34 160.538 3.550 14.980 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.730 3.400 16.206 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.869 2.752 14.291 1.00 1.46 O ATOM 0 H ASP B 34 159.764 6.464 13.150 1.00 0.46 H new ATOM 0 HA ASP B 34 160.116 5.877 15.825 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.832 4.778 13.250 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.234 4.665 14.295 1.00 0.69 H new ATOM 1309 N ASN B 35 162.683 7.505 14.545 1.00 0.52 N ATOM 1310 CA ASN B 35 163.901 8.251 14.876 1.00 0.58 C ATOM 1311 C ASN B 35 163.775 8.948 16.234 1.00 0.49 C ATOM 1312 O ASN B 35 164.729 8.975 17.013 1.00 0.61 O ATOM 1313 CB ASN B 35 164.207 9.281 13.784 1.00 0.78 C ATOM 1314 CG ASN B 35 165.675 9.301 13.402 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.210 8.311 12.903 1.00 1.65 O ATOM 1316 ND2 ASN B 35 166.337 10.430 13.634 1.00 1.31 N ATOM 0 H ASN B 35 162.407 7.574 13.565 1.00 0.52 H new ATOM 0 HA ASN B 35 164.723 7.538 14.936 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.608 9.059 12.901 1.00 0.78 H new ATOM 0 HB3 ASN B 35 163.911 10.271 14.129 1.00 0.78 H new ATOM 0 HD21 ASN B 35 167.327 10.499 13.397 1.00 1.31 H new ATOM 0 HD22 ASN B 35 165.855 11.227 14.049 1.00 1.31 H new ATOM 1323 N LEU B 36 162.587 9.488 16.520 1.00 0.44 N ATOM 1324 CA LEU B 36 162.332 10.160 17.795 1.00 0.51 C ATOM 1325 C LEU B 36 162.350 9.144 18.939 1.00 0.47 C ATOM 1326 O LEU B 36 163.022 9.347 19.951 1.00 0.59 O ATOM 1327 CB LEU B 36 160.983 10.890 17.762 1.00 0.71 C ATOM 1328 CG LEU B 36 160.713 11.715 16.499 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.252 12.139 16.440 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.628 12.930 16.447 1.00 1.64 C ATOM 0 H LEU B 36 161.788 9.472 15.886 1.00 0.44 H new ATOM 0 HA LEU B 36 163.120 10.895 17.960 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.187 10.153 17.871 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.926 11.551 18.627 1.00 0.71 H new ATOM 0 HG LEU B 36 160.924 11.092 15.630 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.079 12.724 15.537 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.616 11.254 16.426 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.013 12.744 17.315 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.421 13.503 15.543 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.452 13.556 17.322 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.668 12.602 16.439 1.00 1.64 H new ATOM 1342 N LEU B 37 161.617 8.042 18.757 1.00 0.41 N ATOM 1343 CA LEU B 37 161.549 6.973 19.754 1.00 0.48 C ATOM 1344 C LEU B 37 162.124 5.671 19.183 1.00 0.41 C ATOM 1345 O LEU B 37 161.420 4.666 19.060 1.00 0.54 O ATOM 1346 CB LEU B 37 160.100 6.762 20.213 1.00 0.65 C ATOM 1347 CG LEU B 37 159.084 6.517 19.090 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.156 5.366 19.448 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.286 7.783 18.806 1.00 0.69 C ATOM 0 H LEU B 37 161.059 7.867 17.921 1.00 0.41 H new ATOM 0 HA LEU B 37 162.147 7.266 20.617 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.073 5.913 20.896 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.785 7.638 20.780 1.00 0.65 H new ATOM 0 HG LEU B 37 159.630 6.246 18.186 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.443 5.208 18.639 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.742 4.459 19.597 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.617 5.605 20.365 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.570 7.590 18.007 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.752 8.086 19.706 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.964 8.580 18.501 1.00 0.69 H new ATOM 1361 N VAL B 38 163.407 5.710 18.817 1.00 0.36 N ATOM 1362 CA VAL B 38 164.088 4.555 18.228 1.00 0.49 C ATOM 1363 C VAL B 38 163.846 3.276 19.034 1.00 0.67 C ATOM 1364 O VAL B 38 163.584 3.325 20.236 1.00 1.35 O ATOM 1365 CB VAL B 38 165.610 4.811 18.103 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.336 3.584 17.564 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.877 6.019 17.217 1.00 0.89 C ATOM 0 H VAL B 38 163.998 6.535 18.919 1.00 0.36 H new ATOM 0 HA VAL B 38 163.666 4.416 17.233 1.00 0.49 H new ATOM 0 HB VAL B 38 165.997 5.017 19.101 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.402 3.796 17.488 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.181 2.743 18.240 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.945 3.334 16.578 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.952 6.184 17.141 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.466 5.840 16.224 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.405 6.900 17.651 1.00 0.89 H new ATOM 1377 N ARG B 39 163.919 2.142 18.328 1.00 0.54 N ATOM 1378 CA ARG B 39 163.698 0.814 18.912 1.00 0.62 C ATOM 1379 C ARG B 39 164.570 0.580 20.152 1.00 0.51 C ATOM 1380 O ARG B 39 165.623 -0.058 20.075 1.00 0.63 O ATOM 1381 CB ARG B 39 163.968 -0.272 17.866 1.00 0.93 C ATOM 1382 CG ARG B 39 162.852 -0.423 16.842 1.00 1.15 C ATOM 1383 CD ARG B 39 163.395 -0.811 15.475 1.00 1.41 C ATOM 1384 NE ARG B 39 163.477 -2.263 15.309 1.00 1.58 N ATOM 1385 CZ ARG B 39 164.575 -2.989 15.547 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.697 -2.407 15.965 1.00 2.06 N ATOM 1387 NH2 ARG B 39 164.548 -4.305 15.368 1.00 2.18 N ATOM 0 H ARG B 39 164.134 2.119 17.331 1.00 0.54 H new ATOM 0 HA ARG B 39 162.656 0.763 19.229 1.00 0.62 H new ATOM 0 HB2 ARG B 39 164.898 -0.041 17.346 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.115 -1.225 18.374 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.146 -1.180 17.182 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.301 0.514 16.763 1.00 1.15 H new ATOM 0 HD2 ARG B 39 162.754 -0.393 14.699 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.385 -0.374 15.341 1.00 1.41 H new ATOM 0 HE ARG B 39 162.641 -2.754 14.991 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.725 -1.397 16.107 1.00 2.06 H new ATOM 0 HH12 ARG B 39 166.528 -2.971 16.143 1.00 2.06 H new ATOM 0 HH21 ARG B 39 163.692 -4.759 15.050 1.00 2.18 H new ATOM 0 HH22 ARG B 39 165.384 -4.861 15.549 1.00 2.18 H new ATOM 1401 N VAL B 40 164.113 1.101 21.293 1.00 0.43 N ATOM 1402 CA VAL B 40 164.826 0.962 22.563 1.00 0.56 C ATOM 1403 C VAL B 40 163.841 1.019 23.733 1.00 0.71 C ATOM 1404 O VAL B 40 163.680 2.062 24.373 1.00 1.15 O ATOM 1405 CB VAL B 40 165.899 2.065 22.748 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.733 1.798 23.994 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.794 2.174 21.521 1.00 0.65 C ATOM 0 H VAL B 40 163.243 1.628 21.362 1.00 0.43 H new ATOM 0 HA VAL B 40 165.329 -0.005 22.545 1.00 0.56 H new ATOM 0 HB VAL B 40 165.382 3.016 22.873 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.481 2.583 24.107 1.00 1.04 H new ATOM 0 HG12 VAL B 40 166.085 1.786 24.870 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.231 0.833 23.898 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.537 2.956 21.681 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.299 1.223 21.353 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.188 2.422 20.649 1.00 0.65 H new ATOM 1417 N MET B 41 163.177 -0.105 24.001 1.00 0.60 N ATOM 1418 CA MET B 41 162.201 -0.181 25.088 1.00 0.74 C ATOM 1419 C MET B 41 162.599 -1.246 26.109 1.00 0.91 C ATOM 1420 O MET B 41 162.804 -2.411 25.705 1.00 0.91 O ATOM 1421 CB MET B 41 160.802 -0.481 24.533 1.00 0.73 C ATOM 1422 CG MET B 41 160.402 0.402 23.360 1.00 0.74 C ATOM 1423 SD MET B 41 160.468 -0.469 21.782 1.00 0.86 S ATOM 1424 CE MET B 41 159.710 0.736 20.694 1.00 0.70 C ATOM 1425 OXT MET B 41 162.703 -0.905 27.306 1.00 1.13 O ATOM 0 H MET B 41 163.297 -0.974 23.481 1.00 0.60 H new ATOM 0 HA MET B 41 162.183 0.786 25.590 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.762 -1.524 24.220 1.00 0.73 H new ATOM 0 HB3 MET B 41 160.071 -0.360 25.332 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.392 0.778 23.521 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.062 1.268 23.320 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.679 0.341 19.679 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.695 0.945 21.033 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.294 1.656 20.707 1.00 0.70 H new TER 1435 MET B 41