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 HD1:sc= -1.18 K(o=-1.2,f=-0.15) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= 0.0196 X(o=0.02,f=-0.21) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.44) 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 HD1:sc= -1.14 K(o=-1.1,f=-0.29) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HE2:sc= 0.0145 X(o=0.014,f=-0.22) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -0.0175 X(o=-0.017,f=-0.45) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.031 -18.373 -19.684 1.00 0.77 N ATOM 2 CA GLY A 1 130.814 -18.395 -18.825 1.00 0.81 C ATOM 3 C GLY A 1 130.599 -17.089 -18.083 1.00 0.65 C ATOM 4 O GLY A 1 130.035 -16.142 -18.634 1.00 0.70 O ATOM 0 H1 GLY A 1 132.131 -19.288 -20.168 1.00 0.77 H new ATOM 0 H2 GLY A 1 131.943 -17.615 -20.391 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.870 -18.200 -19.094 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.941 -18.605 -19.443 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.897 -19.208 -18.104 1.00 0.81 H new ATOM 10 N SER A 2 131.050 -17.040 -16.829 1.00 0.55 N ATOM 11 CA SER A 2 130.906 -15.841 -16.003 1.00 0.48 C ATOM 12 C SER A 2 132.245 -15.143 -15.770 1.00 0.47 C ATOM 13 O SER A 2 132.269 -14.021 -15.267 1.00 0.71 O ATOM 14 CB SER A 2 130.263 -16.194 -14.659 1.00 0.54 C ATOM 15 OG SER A 2 128.874 -16.436 -14.804 1.00 0.67 O ATOM 0 H SER A 2 131.518 -17.817 -16.363 1.00 0.55 H new ATOM 0 HA SER A 2 130.260 -15.150 -16.545 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.747 -17.077 -14.242 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.421 -15.380 -13.952 1.00 0.54 H new ATOM 0 HG SER A 2 128.488 -16.661 -13.932 1.00 0.67 H new ATOM 21 N LEU A 3 133.355 -15.785 -16.155 1.00 0.38 N ATOM 22 CA LEU A 3 134.678 -15.176 -15.998 1.00 0.43 C ATOM 23 C LEU A 3 134.911 -14.186 -17.139 1.00 0.53 C ATOM 24 O LEU A 3 135.818 -14.354 -17.958 1.00 0.88 O ATOM 25 CB LEU A 3 135.808 -16.229 -15.960 1.00 0.48 C ATOM 26 CG LEU A 3 135.387 -17.697 -16.116 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.575 -18.547 -16.540 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.789 -18.223 -14.818 1.00 1.42 C ATOM 0 H LEU A 3 133.363 -16.716 -16.573 1.00 0.38 H new ATOM 0 HA LEU A 3 134.700 -14.657 -15.040 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.520 -15.993 -16.751 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.338 -16.126 -15.013 1.00 0.48 H new ATOM 0 HG LEU A 3 134.625 -17.757 -16.893 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.260 -19.585 -16.646 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.960 -18.185 -17.493 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.358 -18.481 -15.784 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.497 -19.265 -14.948 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.529 -18.151 -14.021 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.913 -17.630 -14.555 1.00 1.42 H new ATOM 40 N THR A 4 134.060 -13.161 -17.191 1.00 0.41 N ATOM 41 CA THR A 4 134.127 -12.142 -18.229 1.00 0.49 C ATOM 42 C THR A 4 133.713 -10.778 -17.669 1.00 0.39 C ATOM 43 O THR A 4 133.791 -10.553 -16.462 1.00 0.39 O ATOM 44 CB THR A 4 133.234 -12.547 -19.412 1.00 0.65 C ATOM 45 OG1 THR A 4 131.902 -12.779 -18.983 1.00 0.64 O ATOM 46 CG2 THR A 4 133.711 -13.799 -20.123 1.00 0.80 C ATOM 0 H THR A 4 133.309 -13.017 -16.516 1.00 0.41 H new ATOM 0 HA THR A 4 135.155 -12.059 -18.582 1.00 0.49 H new ATOM 0 HB THR A 4 133.284 -11.710 -20.108 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.350 -13.034 -19.752 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.036 -14.029 -20.947 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.716 -13.636 -20.512 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.724 -14.633 -19.422 1.00 0.80 H new ATOM 54 N TYR A 5 133.320 -9.860 -18.553 1.00 0.48 N ATOM 55 CA TYR A 5 132.934 -8.496 -18.168 1.00 0.46 C ATOM 56 C TYR A 5 131.979 -8.433 -16.974 1.00 0.42 C ATOM 57 O TYR A 5 132.074 -7.506 -16.167 1.00 0.47 O ATOM 58 CB TYR A 5 132.305 -7.779 -19.365 1.00 0.59 C ATOM 59 CG TYR A 5 132.010 -6.312 -19.120 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.038 -5.386 -18.984 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.701 -5.854 -19.029 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.771 -4.049 -18.764 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.426 -4.517 -18.809 1.00 0.90 C ATOM 64 CZ TYR A 5 131.464 -3.619 -18.677 1.00 0.65 C ATOM 65 OH TYR A 5 131.195 -2.287 -18.459 1.00 0.79 O ATOM 0 H TYR A 5 133.259 -10.038 -19.556 1.00 0.48 H new ATOM 0 HA TYR A 5 133.852 -7.998 -17.854 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.975 -7.866 -20.221 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.378 -8.286 -19.633 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.063 -5.718 -19.052 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.885 -6.554 -19.132 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.582 -3.344 -18.661 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.403 -4.178 -18.741 1.00 0.90 H new ATOM 0 HH TYR A 5 130.225 -2.150 -18.425 1.00 0.79 H new ATOM 75 N GLU A 6 131.061 -9.394 -16.843 1.00 0.48 N ATOM 76 CA GLU A 6 130.118 -9.387 -15.723 1.00 0.50 C ATOM 77 C GLU A 6 130.801 -9.784 -14.410 1.00 0.38 C ATOM 78 O GLU A 6 130.250 -9.567 -13.329 1.00 0.47 O ATOM 79 CB GLU A 6 128.944 -10.330 -16.011 1.00 0.60 C ATOM 80 CG GLU A 6 127.654 -9.606 -16.363 1.00 0.65 C ATOM 81 CD GLU A 6 126.433 -10.501 -16.261 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.906 -10.659 -15.139 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.004 -11.043 -17.301 1.00 1.16 O ATOM 0 H GLU A 6 130.951 -10.176 -17.489 1.00 0.48 H new ATOM 0 HA GLU A 6 129.743 -8.370 -15.612 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.215 -10.993 -16.833 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.771 -10.959 -15.138 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.529 -8.751 -15.698 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.728 -9.213 -17.377 1.00 0.65 H new ATOM 90 N GLU A 7 132.003 -10.360 -14.508 1.00 0.30 N ATOM 91 CA GLU A 7 132.756 -10.777 -13.328 1.00 0.29 C ATOM 92 C GLU A 7 133.494 -9.596 -12.711 1.00 0.28 C ATOM 93 O GLU A 7 133.429 -9.386 -11.500 1.00 0.46 O ATOM 94 CB GLU A 7 133.760 -11.876 -13.686 1.00 0.40 C ATOM 95 CG GLU A 7 134.073 -12.816 -12.530 1.00 0.56 C ATOM 96 CD GLU A 7 135.181 -12.293 -11.634 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.361 -12.384 -12.033 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.869 -11.791 -10.533 1.00 0.81 O ATOM 0 H GLU A 7 132.473 -10.547 -15.394 1.00 0.30 H new ATOM 0 HA GLU A 7 132.043 -11.168 -12.602 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.367 -12.458 -14.520 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.686 -11.413 -14.028 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.172 -12.967 -11.936 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.361 -13.790 -12.926 1.00 0.56 H new ATOM 105 N VAL A 8 134.191 -8.822 -13.550 1.00 0.34 N ATOM 106 CA VAL A 8 134.940 -7.658 -13.084 1.00 0.36 C ATOM 107 C VAL A 8 134.006 -6.568 -12.551 1.00 0.28 C ATOM 108 O VAL A 8 134.355 -5.857 -11.608 1.00 0.39 O ATOM 109 CB VAL A 8 135.832 -7.082 -14.209 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.991 -6.442 -15.305 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.835 -6.087 -13.644 1.00 0.77 C ATOM 0 H VAL A 8 134.250 -8.984 -14.555 1.00 0.34 H new ATOM 0 HA VAL A 8 135.579 -7.994 -12.267 1.00 0.36 H new ATOM 0 HB VAL A 8 136.385 -7.909 -14.655 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.646 -6.046 -16.082 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.326 -7.190 -15.737 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.398 -5.631 -14.882 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.452 -5.694 -14.452 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.302 -5.267 -13.163 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.470 -6.586 -12.912 1.00 0.77 H new ATOM 121 N LEU A 9 132.821 -6.440 -13.157 1.00 0.36 N ATOM 122 CA LEU A 9 131.844 -5.438 -12.732 1.00 0.49 C ATOM 123 C LEU A 9 131.575 -5.550 -11.233 1.00 0.53 C ATOM 124 O LEU A 9 131.708 -4.568 -10.499 1.00 0.73 O ATOM 125 CB LEU A 9 130.536 -5.592 -13.516 1.00 0.66 C ATOM 126 CG LEU A 9 130.463 -4.795 -14.822 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.300 -5.277 -15.677 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.337 -3.304 -14.533 1.00 0.72 C ATOM 0 H LEU A 9 132.518 -7.017 -13.941 1.00 0.36 H new ATOM 0 HA LEU A 9 132.259 -4.452 -12.938 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.390 -6.648 -13.744 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.709 -5.287 -12.875 1.00 0.66 H new ATOM 0 HG LEU A 9 131.387 -4.958 -15.377 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.264 -4.699 -16.601 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.435 -6.332 -15.914 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.367 -5.145 -15.130 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.287 -2.754 -15.473 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.431 -3.121 -13.956 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.204 -2.969 -13.963 1.00 0.72 H new ATOM 140 N GLN A 10 131.202 -6.751 -10.780 1.00 0.42 N ATOM 141 CA GLN A 10 130.922 -6.992 -9.363 1.00 0.49 C ATOM 142 C GLN A 10 132.181 -6.841 -8.503 1.00 0.43 C ATOM 143 O GLN A 10 132.086 -6.638 -7.292 1.00 0.50 O ATOM 144 CB GLN A 10 130.328 -8.392 -9.170 1.00 0.60 C ATOM 145 CG GLN A 10 128.849 -8.482 -9.516 1.00 0.69 C ATOM 146 CD GLN A 10 127.951 -8.176 -8.332 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.646 -7.015 -8.055 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.522 -9.216 -7.624 1.00 0.84 N ATOM 0 H GLN A 10 131.087 -7.571 -11.375 1.00 0.42 H new ATOM 0 HA GLN A 10 130.200 -6.242 -9.039 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.880 -9.100 -9.788 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.469 -8.697 -8.133 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.626 -7.786 -10.325 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.627 -9.483 -9.886 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.799 -10.162 -7.888 1.00 0.84 H new ATOM 0 HE22 GLN A 10 126.916 -9.068 -6.817 1.00 0.84 H new ATOM 157 N GLU A 11 133.359 -6.940 -9.127 1.00 0.41 N ATOM 158 CA GLU A 11 134.619 -6.805 -8.401 1.00 0.44 C ATOM 159 C GLU A 11 134.833 -5.359 -7.960 1.00 0.40 C ATOM 160 O GLU A 11 135.014 -5.092 -6.771 1.00 0.56 O ATOM 161 CB GLU A 11 135.801 -7.274 -9.257 1.00 0.52 C ATOM 162 CG GLU A 11 135.771 -8.759 -9.581 1.00 0.63 C ATOM 163 CD GLU A 11 137.154 -9.342 -9.798 1.00 1.02 C ATOM 164 OE1 GLU A 11 137.900 -9.488 -8.807 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.490 -9.656 -10.960 1.00 1.64 O ATOM 0 H GLU A 11 133.463 -7.112 -10.127 1.00 0.41 H new ATOM 0 HA GLU A 11 134.563 -7.439 -7.516 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.810 -6.708 -10.189 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.730 -7.044 -8.735 1.00 0.52 H new ATOM 0 HG2 GLU A 11 135.280 -9.294 -8.768 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.170 -8.919 -10.476 1.00 0.63 H new ATOM 172 N LEU A 12 134.827 -4.426 -8.922 1.00 0.34 N ATOM 173 CA LEU A 12 135.034 -3.003 -8.641 1.00 0.34 C ATOM 174 C LEU A 12 134.150 -2.493 -7.501 1.00 0.31 C ATOM 175 O LEU A 12 134.641 -1.802 -6.606 1.00 0.39 O ATOM 176 CB LEU A 12 134.771 -2.180 -9.912 1.00 0.36 C ATOM 177 CG LEU A 12 135.588 -0.889 -10.053 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.209 0.111 -8.971 1.00 0.65 C ATOM 179 CD2 LEU A 12 137.081 -1.188 -10.011 1.00 0.59 C ATOM 0 H LEU A 12 134.679 -4.636 -9.909 1.00 0.34 H new ATOM 0 HA LEU A 12 136.070 -2.884 -8.323 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.971 -2.811 -10.778 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.712 -1.923 -9.943 1.00 0.36 H new ATOM 0 HG LEU A 12 135.357 -0.446 -11.021 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.801 1.018 -9.091 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.150 0.355 -9.056 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.404 -0.323 -7.990 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.641 -0.259 -10.113 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.331 -1.660 -9.061 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.341 -1.860 -10.829 1.00 0.59 H new ATOM 191 N VAL A 13 132.850 -2.812 -7.534 1.00 0.26 N ATOM 192 CA VAL A 13 131.939 -2.349 -6.487 1.00 0.26 C ATOM 193 C VAL A 13 132.451 -2.753 -5.103 1.00 0.22 C ATOM 194 O VAL A 13 132.642 -1.891 -4.245 1.00 0.24 O ATOM 195 CB VAL A 13 130.476 -2.827 -6.702 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.325 -4.325 -6.485 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.526 -2.054 -5.796 1.00 0.53 C ATOM 0 H VAL A 13 132.414 -3.379 -8.261 1.00 0.26 H new ATOM 0 HA VAL A 13 131.920 -1.261 -6.549 1.00 0.26 H new ATOM 0 HB VAL A 13 130.217 -2.625 -7.741 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.286 -4.613 -6.646 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.963 -4.861 -7.188 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.617 -4.576 -5.465 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.505 -2.401 -5.959 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.803 -2.217 -4.754 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.589 -0.990 -6.026 1.00 0.53 H new ATOM 207 N LYS A 14 132.668 -4.056 -4.879 1.00 0.24 N ATOM 208 CA LYS A 14 133.156 -4.550 -3.589 1.00 0.23 C ATOM 209 C LYS A 14 134.389 -3.778 -3.114 1.00 0.21 C ATOM 210 O LYS A 14 134.550 -3.544 -1.918 1.00 0.28 O ATOM 211 CB LYS A 14 133.495 -6.041 -3.685 1.00 0.30 C ATOM 212 CG LYS A 14 132.279 -6.939 -3.850 1.00 0.84 C ATOM 213 CD LYS A 14 132.683 -8.378 -4.132 1.00 0.68 C ATOM 214 CE LYS A 14 133.111 -9.101 -2.863 1.00 0.73 C ATOM 215 NZ LYS A 14 132.823 -10.563 -2.925 1.00 0.75 N ATOM 0 H LYS A 14 132.513 -4.785 -5.575 1.00 0.24 H new ATOM 0 HA LYS A 14 132.358 -4.399 -2.862 1.00 0.23 H new ATOM 0 HB2 LYS A 14 134.167 -6.197 -4.529 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.036 -6.339 -2.787 1.00 0.30 H new ATOM 0 HG2 LYS A 14 131.672 -6.901 -2.946 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.659 -6.567 -4.666 1.00 0.84 H new ATOM 0 HD2 LYS A 14 131.847 -8.908 -4.589 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.501 -8.392 -4.852 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.178 -8.949 -2.702 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.595 -8.666 -2.007 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.131 -11.015 -2.040 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.801 -10.710 -3.052 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.336 -10.984 -3.726 1.00 0.75 H new ATOM 229 N HIS A 15 135.252 -3.377 -4.054 1.00 0.25 N ATOM 230 CA HIS A 15 136.462 -2.624 -3.716 1.00 0.27 C ATOM 231 C HIS A 15 136.111 -1.221 -3.224 1.00 0.23 C ATOM 232 O HIS A 15 136.726 -0.712 -2.286 1.00 0.43 O ATOM 233 CB HIS A 15 137.391 -2.529 -4.931 1.00 0.33 C ATOM 234 CG HIS A 15 138.141 -3.793 -5.223 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.442 -3.805 -5.680 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.767 -5.092 -5.125 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.834 -5.055 -5.852 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.837 -5.854 -5.522 1.00 0.72 N ATOM 0 H HIS A 15 135.135 -3.561 -5.050 1.00 0.25 H new ATOM 0 HA HIS A 15 136.975 -3.156 -2.915 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.801 -2.258 -5.807 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.107 -1.723 -4.767 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.806 -5.459 -4.796 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.806 -5.370 -6.203 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.858 -6.873 -5.556 1.00 0.72 H new ATOM 247 N LYS A 16 135.118 -0.601 -3.867 1.00 0.21 N ATOM 248 CA LYS A 16 134.680 0.743 -3.498 1.00 0.25 C ATOM 249 C LYS A 16 133.897 0.719 -2.186 1.00 0.32 C ATOM 250 O LYS A 16 134.092 1.579 -1.326 1.00 0.62 O ATOM 251 CB LYS A 16 133.818 1.350 -4.611 1.00 0.37 C ATOM 252 CG LYS A 16 134.565 2.341 -5.492 1.00 0.50 C ATOM 253 CD LYS A 16 133.996 2.376 -6.904 1.00 0.57 C ATOM 254 CE LYS A 16 133.131 3.607 -7.134 1.00 0.59 C ATOM 255 NZ LYS A 16 131.720 3.390 -6.706 1.00 0.66 N ATOM 0 H LYS A 16 134.603 -1.011 -4.646 1.00 0.21 H new ATOM 0 HA LYS A 16 135.567 1.361 -3.361 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.427 0.546 -5.235 1.00 0.37 H new ATOM 0 HB3 LYS A 16 132.961 1.851 -4.162 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.507 3.336 -5.051 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.620 2.071 -5.531 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.813 2.366 -7.626 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.404 1.478 -7.080 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.550 4.451 -6.586 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.152 3.872 -8.191 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.167 4.254 -6.881 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.311 2.602 -7.247 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.696 3.163 -5.691 1.00 0.66 H new ATOM 269 N GLU A 17 133.016 -0.274 -2.036 1.00 0.32 N ATOM 270 CA GLU A 17 132.206 -0.417 -0.827 1.00 0.39 C ATOM 271 C GLU A 17 133.063 -0.827 0.372 1.00 0.32 C ATOM 272 O GLU A 17 132.784 -0.428 1.504 1.00 0.40 O ATOM 273 CB GLU A 17 131.096 -1.448 -1.057 1.00 0.51 C ATOM 274 CG GLU A 17 129.982 -1.389 -0.024 1.00 0.80 C ATOM 275 CD GLU A 17 129.164 -2.666 0.026 1.00 1.08 C ATOM 276 OE1 GLU A 17 128.175 -2.768 -0.730 1.00 1.43 O ATOM 277 OE2 GLU A 17 129.514 -3.564 0.821 1.00 1.47 O ATOM 0 H GLU A 17 132.847 -0.992 -2.740 1.00 0.32 H new ATOM 0 HA GLU A 17 131.758 0.552 -0.605 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.669 -1.294 -2.048 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.533 -2.447 -1.050 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.413 -1.199 0.959 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.325 -0.550 -0.251 1.00 0.80 H new ATOM 284 N LEU A 18 134.113 -1.617 0.120 1.00 0.32 N ATOM 285 CA LEU A 18 135.009 -2.063 1.187 1.00 0.34 C ATOM 286 C LEU A 18 135.818 -0.889 1.726 1.00 0.33 C ATOM 287 O LEU A 18 135.996 -0.753 2.938 1.00 0.66 O ATOM 288 CB LEU A 18 135.951 -3.164 0.690 1.00 0.53 C ATOM 289 CG LEU A 18 135.452 -4.595 0.908 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.245 -5.575 0.055 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.540 -4.975 2.381 1.00 0.79 C ATOM 0 H LEU A 18 134.360 -1.958 -0.809 1.00 0.32 H new ATOM 0 HA LEU A 18 134.397 -2.472 1.991 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.127 -3.016 -0.375 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.913 -3.051 1.191 1.00 0.53 H new ATOM 0 HG LEU A 18 134.407 -4.643 0.603 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.875 -6.586 0.224 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.129 -5.318 -0.998 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.299 -5.524 0.327 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.181 -5.995 2.516 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.576 -4.908 2.713 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.926 -4.294 2.970 1.00 0.79 H new ATOM 303 N LEU A 19 136.291 -0.031 0.818 1.00 0.43 N ATOM 304 CA LEU A 19 137.063 1.147 1.203 1.00 0.44 C ATOM 305 C LEU A 19 136.183 2.130 1.973 1.00 0.30 C ATOM 306 O LEU A 19 136.646 2.793 2.903 1.00 0.45 O ATOM 307 CB LEU A 19 137.652 1.827 -0.037 1.00 0.57 C ATOM 308 CG LEU A 19 139.069 1.385 -0.406 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.319 1.579 -1.895 1.00 0.88 C ATOM 310 CD2 LEU A 19 140.096 2.150 0.418 1.00 0.94 C ATOM 0 H LEU A 19 136.151 -0.132 -0.187 1.00 0.43 H new ATOM 0 HA LEU A 19 137.881 0.828 1.849 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.995 1.634 -0.885 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.655 2.905 0.125 1.00 0.57 H new ATOM 0 HG LEU A 19 139.170 0.324 -0.180 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.332 1.259 -2.139 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.604 0.985 -2.464 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.200 2.632 -2.150 1.00 0.88 H new ATOM 0 HD21 LEU A 19 141.099 1.824 0.143 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.996 3.218 0.224 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.929 1.957 1.478 1.00 0.94 H new ATOM 322 N ARG A 20 134.905 2.208 1.583 1.00 0.32 N ATOM 323 CA ARG A 20 133.952 3.098 2.240 1.00 0.50 C ATOM 324 C ARG A 20 133.775 2.700 3.701 1.00 0.40 C ATOM 325 O ARG A 20 134.048 3.501 4.597 1.00 0.47 O ATOM 326 CB ARG A 20 132.603 3.072 1.512 1.00 0.78 C ATOM 327 CG ARG A 20 132.567 3.951 0.271 1.00 0.89 C ATOM 328 CD ARG A 20 131.221 4.638 0.111 1.00 0.98 C ATOM 329 NE ARG A 20 131.228 5.605 -0.987 1.00 1.06 N ATOM 330 CZ ARG A 20 130.239 6.467 -1.232 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.149 6.484 -0.467 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.340 7.316 -2.249 1.00 1.60 N ATOM 0 H ARG A 20 134.511 1.664 0.815 1.00 0.32 H new ATOM 0 HA ARG A 20 134.345 4.114 2.202 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.372 2.045 1.227 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.822 3.395 2.200 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.354 4.702 0.334 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.774 3.345 -0.611 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.450 3.889 -0.070 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.960 5.145 1.040 1.00 0.98 H new ATOM 0 HE ARG A 20 132.040 5.621 -1.604 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.064 5.834 0.315 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.399 7.147 -0.663 1.00 1.74 H new ATOM 0 HH21 ARG A 20 131.172 7.308 -2.840 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.586 7.976 -2.439 1.00 1.60 H new ATOM 346 N ARG A 21 133.320 1.463 3.944 1.00 0.36 N ATOM 347 CA ARG A 21 133.113 0.964 5.304 1.00 0.37 C ATOM 348 C ARG A 21 134.354 1.171 6.171 1.00 0.35 C ATOM 349 O ARG A 21 134.236 1.519 7.343 1.00 0.49 O ATOM 350 CB ARG A 21 132.751 -0.524 5.267 1.00 0.47 C ATOM 351 CG ARG A 21 131.880 -0.979 6.428 1.00 0.71 C ATOM 352 CD ARG A 21 131.278 -2.352 6.166 1.00 0.94 C ATOM 353 NE ARG A 21 131.188 -3.161 7.383 1.00 0.95 N ATOM 354 CZ ARG A 21 130.941 -4.475 7.392 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.746 -5.136 6.253 1.00 2.03 N ATOM 356 NH2 ARG A 21 130.886 -5.130 8.547 1.00 1.50 N ATOM 0 H ARG A 21 133.089 0.791 3.212 1.00 0.36 H new ATOM 0 HA ARG A 21 132.293 1.530 5.746 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.233 -0.738 4.332 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.670 -1.111 5.264 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.475 -1.009 7.341 1.00 0.71 H new ATOM 0 HG3 ARG A 21 131.082 -0.255 6.591 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.283 -2.234 5.736 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.884 -2.877 5.427 1.00 0.94 H new ATOM 0 HE ARG A 21 131.322 -2.693 8.279 1.00 0.95 H new ATOM 0 HH11 ARG A 21 130.784 -4.640 5.363 1.00 2.03 H new ATOM 0 HH12 ARG A 21 130.558 -6.138 6.271 1.00 2.03 H new ATOM 0 HH21 ARG A 21 131.032 -4.630 9.424 1.00 1.50 H new ATOM 0 HH22 ARG A 21 130.698 -6.132 8.556 1.00 1.50 H new ATOM 370 N LYS A 22 135.540 0.950 5.588 1.00 0.33 N ATOM 371 CA LYS A 22 136.803 1.116 6.316 1.00 0.41 C ATOM 372 C LYS A 22 136.791 2.407 7.137 1.00 0.34 C ATOM 373 O LYS A 22 137.185 2.412 8.304 1.00 0.36 O ATOM 374 CB LYS A 22 137.989 1.115 5.346 1.00 0.56 C ATOM 375 CG LYS A 22 139.066 0.106 5.710 1.00 0.77 C ATOM 376 CD LYS A 22 140.177 0.071 4.671 1.00 0.95 C ATOM 377 CE LYS A 22 141.211 1.160 4.919 1.00 0.76 C ATOM 378 NZ LYS A 22 142.326 0.685 5.786 1.00 0.71 N ATOM 0 H LYS A 22 135.650 0.657 4.617 1.00 0.33 H new ATOM 0 HA LYS A 22 136.912 0.274 7.000 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.626 0.901 4.341 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.429 2.112 5.321 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.486 0.357 6.684 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.621 -0.885 5.801 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.663 -0.904 4.690 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.749 0.194 3.676 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.614 1.501 3.965 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.728 2.018 5.387 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.007 1.457 5.930 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.946 0.383 6.706 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.804 -0.118 5.329 1.00 0.71 H new ATOM 392 N ASP A 23 136.315 3.493 6.523 1.00 0.34 N ATOM 393 CA ASP A 23 136.224 4.785 7.200 1.00 0.32 C ATOM 394 C ASP A 23 135.057 4.772 8.186 1.00 0.29 C ATOM 395 O ASP A 23 135.234 5.031 9.374 1.00 0.34 O ATOM 396 CB ASP A 23 136.042 5.909 6.175 1.00 0.37 C ATOM 397 CG ASP A 23 137.299 6.740 5.997 1.00 0.78 C ATOM 398 OD1 ASP A 23 138.164 6.341 5.190 1.00 1.17 O ATOM 399 OD2 ASP A 23 137.418 7.789 6.665 1.00 1.15 O ATOM 0 H ASP A 23 135.987 3.501 5.557 1.00 0.34 H new ATOM 0 HA ASP A 23 137.149 4.964 7.749 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.755 5.479 5.215 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.224 6.556 6.491 1.00 0.37 H new ATOM 404 N THR A 24 133.863 4.476 7.671 1.00 0.27 N ATOM 405 CA THR A 24 132.647 4.424 8.488 1.00 0.28 C ATOM 406 C THR A 24 132.866 3.625 9.782 1.00 0.27 C ATOM 407 O THR A 24 132.302 3.964 10.823 1.00 0.32 O ATOM 408 CB THR A 24 131.495 3.821 7.674 1.00 0.31 C ATOM 409 OG1 THR A 24 131.308 4.540 6.465 1.00 0.52 O ATOM 410 CG2 THR A 24 130.168 3.810 8.408 1.00 0.53 C ATOM 0 H THR A 24 133.710 4.267 6.684 1.00 0.27 H new ATOM 0 HA THR A 24 132.390 5.444 8.774 1.00 0.28 H new ATOM 0 HB THR A 24 131.791 2.789 7.486 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.571 4.141 5.958 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.403 3.369 7.769 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.262 3.222 9.321 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.884 4.831 8.662 1.00 0.53 H new ATOM 418 N HIS A 25 133.682 2.567 9.711 1.00 0.27 N ATOM 419 CA HIS A 25 133.966 1.729 10.881 1.00 0.31 C ATOM 420 C HIS A 25 134.891 2.448 11.862 1.00 0.33 C ATOM 421 O HIS A 25 134.605 2.503 13.058 1.00 0.43 O ATOM 422 CB HIS A 25 134.589 0.395 10.452 1.00 0.37 C ATOM 423 CG HIS A 25 134.217 -0.755 11.339 1.00 0.38 C ATOM 424 ND1 HIS A 25 133.993 -0.623 12.695 1.00 0.92 N ATOM 425 CD2 HIS A 25 134.030 -2.067 11.057 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.685 -1.801 13.206 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.699 -2.693 12.233 1.00 0.75 N ATOM 0 H HIS A 25 134.156 2.272 8.858 1.00 0.27 H new ATOM 0 HA HIS A 25 133.020 1.530 11.385 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.279 0.171 9.431 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.674 0.498 10.440 1.00 0.37 H new ATOM 0 HD1 HIS A 25 134.056 0.249 13.220 1.00 0.92 H new ATOM 0 HD2 HIS A 25 134.124 -2.533 10.087 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.460 -2.001 14.243 1.00 0.79 H new ATOM 436 N ILE A 26 135.991 3.016 11.360 1.00 0.31 N ATOM 437 CA ILE A 26 136.915 3.747 12.226 1.00 0.35 C ATOM 438 C ILE A 26 136.272 5.055 12.711 1.00 0.34 C ATOM 439 O ILE A 26 136.749 5.674 13.665 1.00 0.46 O ATOM 440 CB ILE A 26 138.275 4.042 11.538 1.00 0.42 C ATOM 441 CG1 ILE A 26 138.091 4.822 10.231 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.026 2.743 11.277 1.00 0.56 C ATOM 443 CD1 ILE A 26 137.935 6.315 10.427 1.00 0.68 C ATOM 0 H ILE A 26 136.259 2.985 10.376 1.00 0.31 H new ATOM 0 HA ILE A 26 137.122 3.104 13.081 1.00 0.35 H new ATOM 0 HB ILE A 26 138.861 4.664 12.214 1.00 0.42 H new ATOM 0 HG12 ILE A 26 138.949 4.638 9.585 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.213 4.440 9.711 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.978 2.964 10.794 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.208 2.232 12.222 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.430 2.102 10.627 1.00 0.56 H new ATOM 0 HD11 ILE A 26 137.809 6.798 9.458 1.00 0.68 H new ATOM 0 HD12 ILE A 26 137.060 6.511 11.046 1.00 0.68 H new ATOM 0 HD13 ILE A 26 138.823 6.712 10.918 1.00 0.68 H new ATOM 455 N ARG A 27 135.173 5.455 12.055 1.00 0.29 N ATOM 456 CA ARG A 27 134.441 6.665 12.415 1.00 0.35 C ATOM 457 C ARG A 27 133.392 6.357 13.486 1.00 0.34 C ATOM 458 O ARG A 27 133.233 7.120 14.440 1.00 0.39 O ATOM 459 CB ARG A 27 133.774 7.269 11.174 1.00 0.44 C ATOM 460 CG ARG A 27 133.058 8.584 11.436 1.00 0.52 C ATOM 461 CD ARG A 27 131.646 8.569 10.872 1.00 0.81 C ATOM 462 NE ARG A 27 130.906 9.789 11.196 1.00 0.91 N ATOM 463 CZ ARG A 27 129.581 9.912 11.075 1.00 0.92 C ATOM 464 NH1 ARG A 27 128.845 8.896 10.631 1.00 1.19 N ATOM 465 NH2 ARG A 27 128.990 11.058 11.397 1.00 1.68 N ATOM 0 H ARG A 27 134.773 4.948 11.265 1.00 0.29 H new ATOM 0 HA ARG A 27 135.146 7.390 12.821 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.532 7.426 10.407 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.059 6.551 10.773 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.021 8.772 12.509 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.622 9.402 10.988 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.691 8.450 9.789 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.109 7.706 11.265 1.00 0.81 H new ATOM 0 HE ARG A 27 131.433 10.594 11.535 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.292 8.014 10.380 1.00 1.19 H new ATOM 0 HH12 ARG A 27 127.834 8.999 10.542 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.548 11.842 11.736 1.00 1.68 H new ATOM 0 HH22 ARG A 27 127.979 11.154 11.305 1.00 1.68 H new ATOM 479 N GLU A 28 132.687 5.226 13.336 1.00 0.33 N ATOM 480 CA GLU A 28 131.673 4.827 14.313 1.00 0.38 C ATOM 481 C GLU A 28 132.340 4.439 15.631 1.00 0.37 C ATOM 482 O GLU A 28 131.855 4.794 16.706 1.00 0.47 O ATOM 483 CB GLU A 28 130.794 3.681 13.785 1.00 0.48 C ATOM 484 CG GLU A 28 131.552 2.407 13.445 1.00 0.81 C ATOM 485 CD GLU A 28 131.337 1.304 14.464 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.236 0.716 14.481 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.272 1.027 15.245 1.00 1.85 O ATOM 0 H GLU A 28 132.801 4.580 12.555 1.00 0.33 H new ATOM 0 HA GLU A 28 131.018 5.680 14.487 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.035 3.448 14.532 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.269 4.024 12.894 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.238 2.054 12.463 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.617 2.630 13.378 1.00 0.81 H new ATOM 494 N LEU A 29 133.468 3.724 15.539 1.00 0.34 N ATOM 495 CA LEU A 29 134.219 3.312 16.724 1.00 0.38 C ATOM 496 C LEU A 29 134.884 4.516 17.401 1.00 0.42 C ATOM 497 O LEU A 29 135.406 4.401 18.511 1.00 0.80 O ATOM 498 CB LEU A 29 135.279 2.272 16.349 1.00 0.48 C ATOM 499 CG LEU A 29 135.476 1.152 17.375 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.066 -0.191 16.786 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.923 1.112 17.853 1.00 0.58 C ATOM 0 H LEU A 29 133.878 3.421 14.656 1.00 0.34 H new ATOM 0 HA LEU A 29 133.516 2.867 17.428 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.006 1.825 15.393 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.231 2.782 16.202 1.00 0.48 H new ATOM 0 HG LEU A 29 134.838 1.357 18.235 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.213 -0.974 17.529 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.015 -0.156 16.498 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.676 -0.405 15.908 1.00 0.84 H new ATOM 0 HD21 LEU A 29 137.044 0.310 18.581 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.582 0.933 17.003 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.180 2.065 18.316 1.00 0.58 H new ATOM 513 N GLU A 30 134.835 5.678 16.737 1.00 0.42 N ATOM 514 CA GLU A 30 135.405 6.902 17.288 1.00 0.46 C ATOM 515 C GLU A 30 134.479 7.475 18.363 1.00 0.46 C ATOM 516 O GLU A 30 134.939 8.112 19.310 1.00 0.61 O ATOM 517 CB GLU A 30 135.649 7.931 16.180 1.00 0.51 C ATOM 518 CG GLU A 30 137.119 8.260 15.976 1.00 0.57 C ATOM 519 CD GLU A 30 137.677 9.144 17.076 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.940 8.622 18.182 1.00 1.33 O ATOM 521 OE2 GLU A 30 137.850 10.356 16.834 1.00 1.24 O ATOM 0 H GLU A 30 134.406 5.790 15.819 1.00 0.42 H new ATOM 0 HA GLU A 30 136.365 6.664 17.746 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.236 7.552 15.245 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.109 8.847 16.419 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.692 7.334 15.933 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.246 8.758 15.015 1.00 0.57 H new ATOM 528 N ASP A 31 133.173 7.208 18.226 1.00 0.43 N ATOM 529 CA ASP A 31 132.183 7.658 19.203 1.00 0.58 C ATOM 530 C ASP A 31 132.162 6.710 20.408 1.00 0.59 C ATOM 531 O ASP A 31 131.751 7.092 21.506 1.00 0.78 O ATOM 532 CB ASP A 31 130.793 7.731 18.564 1.00 0.71 C ATOM 533 CG ASP A 31 130.295 9.157 18.425 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.783 9.707 19.423 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.420 9.724 17.320 1.00 1.73 O ATOM 0 H ASP A 31 132.781 6.681 17.445 1.00 0.43 H new ATOM 0 HA ASP A 31 132.460 8.656 19.543 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.823 7.262 17.581 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.088 7.160 19.168 1.00 0.71 H new ATOM 540 N TYR A 32 132.640 5.478 20.191 1.00 0.51 N ATOM 541 CA TYR A 32 132.714 4.477 21.251 1.00 0.56 C ATOM 542 C TYR A 32 133.846 4.831 22.212 1.00 0.55 C ATOM 543 O TYR A 32 133.698 4.721 23.430 1.00 0.64 O ATOM 544 CB TYR A 32 132.930 3.077 20.665 1.00 0.61 C ATOM 545 CG TYR A 32 131.647 2.391 20.245 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.853 1.730 21.174 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.230 2.408 18.920 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.680 1.104 20.794 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.058 1.786 18.532 1.00 1.19 C ATOM 550 CZ TYR A 32 129.287 1.135 19.473 1.00 1.23 C ATOM 551 OH TYR A 32 128.119 0.515 19.091 1.00 1.55 O ATOM 0 H TYR A 32 132.981 5.154 19.286 1.00 0.51 H new ATOM 0 HA TYR A 32 131.769 4.472 21.795 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.592 3.152 19.802 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.438 2.457 21.404 1.00 0.61 H new ATOM 0 HD1 TYR A 32 131.157 1.705 22.210 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.832 2.916 18.181 1.00 0.98 H new ATOM 0 HE1 TYR A 32 129.075 0.593 21.528 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.748 1.810 17.498 1.00 1.19 H new ATOM 0 HH TYR A 32 127.987 0.631 18.127 1.00 1.55 H new ATOM 561 N ILE A 33 134.967 5.290 21.648 1.00 0.53 N ATOM 562 CA ILE A 33 136.122 5.701 22.441 1.00 0.62 C ATOM 563 C ILE A 33 135.932 7.127 22.976 1.00 0.58 C ATOM 564 O ILE A 33 136.658 7.562 23.873 1.00 0.77 O ATOM 565 CB ILE A 33 137.431 5.633 21.619 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.571 4.267 20.938 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.638 5.908 22.508 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.363 4.311 19.648 1.00 0.85 C ATOM 0 H ILE A 33 135.096 5.385 20.641 1.00 0.53 H new ATOM 0 HA ILE A 33 136.201 5.006 23.277 1.00 0.62 H new ATOM 0 HB ILE A 33 137.388 6.401 20.847 1.00 0.75 H new ATOM 0 HG12 ILE A 33 138.054 3.574 21.627 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.577 3.870 20.731 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.549 5.856 21.911 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.548 6.902 22.946 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.682 5.163 23.303 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.421 3.309 19.222 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.870 4.978 18.941 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.369 4.678 19.851 1.00 0.85 H new ATOM 580 N ASP A 34 134.945 7.847 22.425 1.00 0.49 N ATOM 581 CA ASP A 34 134.654 9.212 22.854 1.00 0.54 C ATOM 582 C ASP A 34 134.036 9.217 24.251 1.00 0.44 C ATOM 583 O ASP A 34 134.280 10.128 25.032 1.00 0.47 O ATOM 584 CB ASP A 34 133.711 9.901 21.859 1.00 0.75 C ATOM 585 CG ASP A 34 134.388 11.034 21.109 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.318 10.755 20.322 1.00 1.42 O ATOM 587 OD2 ASP A 34 133.987 12.199 21.307 1.00 1.49 O ATOM 0 H ASP A 34 134.338 7.502 21.682 1.00 0.49 H new ATOM 0 HA ASP A 34 135.593 9.765 22.886 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.341 9.166 21.144 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.844 10.290 22.394 1.00 0.75 H new ATOM 592 N ASN A 35 133.243 8.185 24.558 1.00 0.53 N ATOM 593 CA ASN A 35 132.592 8.056 25.866 1.00 0.57 C ATOM 594 C ASN A 35 133.562 8.393 27.002 1.00 0.47 C ATOM 595 O ASN A 35 133.177 9.023 27.988 1.00 0.58 O ATOM 596 CB ASN A 35 132.040 6.639 26.057 1.00 0.74 C ATOM 597 CG ASN A 35 130.958 6.288 25.048 1.00 0.88 C ATOM 598 OD1 ASN A 35 130.129 7.125 24.691 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.960 5.042 24.584 1.00 1.32 N ATOM 0 H ASN A 35 133.036 7.422 23.913 1.00 0.53 H new ATOM 0 HA ASN A 35 131.766 8.766 25.895 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.856 5.921 25.972 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.635 6.544 27.065 1.00 0.74 H new ATOM 0 HD21 ASN A 35 130.256 4.749 23.906 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.665 4.379 24.906 1.00 1.32 H new ATOM 606 N LEU A 36 134.826 7.986 26.844 1.00 0.42 N ATOM 607 CA LEU A 36 135.856 8.264 27.844 1.00 0.47 C ATOM 608 C LEU A 36 136.126 9.767 27.921 1.00 0.42 C ATOM 609 O LEU A 36 136.183 10.341 29.010 1.00 0.53 O ATOM 610 CB LEU A 36 137.152 7.515 27.510 1.00 0.66 C ATOM 611 CG LEU A 36 136.993 6.015 27.236 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.205 5.479 26.488 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.786 5.250 28.537 1.00 1.66 C ATOM 0 H LEU A 36 135.158 7.464 26.033 1.00 0.42 H new ATOM 0 HA LEU A 36 135.495 7.918 28.812 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.606 7.981 26.635 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.850 7.644 28.337 1.00 0.66 H new ATOM 0 HG LEU A 36 136.111 5.872 26.612 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.075 4.413 26.302 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.307 6.003 25.538 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.101 5.636 27.088 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.675 4.187 28.321 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.647 5.400 29.188 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.887 5.615 29.034 1.00 1.66 H new ATOM 625 N LEU A 37 136.276 10.399 26.752 1.00 0.36 N ATOM 626 CA LEU A 37 136.523 11.837 26.670 1.00 0.40 C ATOM 627 C LEU A 37 135.397 12.539 25.897 1.00 0.32 C ATOM 628 O LEU A 37 135.632 13.176 24.867 1.00 0.42 O ATOM 629 CB LEU A 37 137.881 12.109 26.010 1.00 0.56 C ATOM 630 CG LEU A 37 138.105 11.414 24.662 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.757 12.366 23.669 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.952 10.161 24.842 1.00 0.63 C ATOM 0 H LEU A 37 136.230 9.931 25.847 1.00 0.36 H new ATOM 0 HA LEU A 37 136.543 12.240 27.682 1.00 0.40 H new ATOM 0 HB2 LEU A 37 137.989 13.184 25.868 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.669 11.798 26.696 1.00 0.56 H new ATOM 0 HG LEU A 37 137.135 11.118 24.263 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.907 11.854 22.719 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.111 13.231 23.517 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.720 12.696 24.060 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.101 9.680 23.875 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.919 10.433 25.265 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.443 9.471 25.515 1.00 0.63 H new ATOM 644 N VAL A 38 134.171 12.404 26.413 1.00 0.29 N ATOM 645 CA VAL A 38 132.976 13.006 25.811 1.00 0.41 C ATOM 646 C VAL A 38 131.880 13.174 26.873 1.00 0.38 C ATOM 647 O VAL A 38 132.091 12.839 28.041 1.00 0.61 O ATOM 648 CB VAL A 38 132.443 12.182 24.609 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.471 11.098 25.061 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.792 13.097 23.579 1.00 0.99 C ATOM 0 H VAL A 38 133.979 11.873 27.262 1.00 0.29 H new ATOM 0 HA VAL A 38 133.262 13.985 25.426 1.00 0.41 H new ATOM 0 HB VAL A 38 133.294 11.686 24.143 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.118 10.541 24.193 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.977 10.419 25.747 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.622 11.558 25.567 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.424 12.501 22.744 1.00 0.99 H new ATOM 0 HG22 VAL A 38 130.959 13.629 24.039 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.526 13.817 23.216 1.00 0.99 H new ATOM 660 N ARG A 39 130.708 13.671 26.470 1.00 0.44 N ATOM 661 CA ARG A 39 129.595 13.849 27.400 1.00 0.47 C ATOM 662 C ARG A 39 128.961 12.497 27.732 1.00 0.53 C ATOM 663 O ARG A 39 128.313 11.881 26.883 1.00 0.86 O ATOM 664 CB ARG A 39 128.547 14.797 26.801 1.00 0.59 C ATOM 665 CG ARG A 39 127.234 14.837 27.572 1.00 0.75 C ATOM 666 CD ARG A 39 127.326 15.744 28.790 1.00 0.97 C ATOM 667 NE ARG A 39 127.192 17.158 28.436 1.00 0.93 N ATOM 668 CZ ARG A 39 127.208 18.155 29.323 1.00 1.00 C ATOM 669 NH1 ARG A 39 127.351 17.903 30.622 1.00 1.27 N ATOM 670 NH2 ARG A 39 127.079 19.411 28.908 1.00 1.48 N ATOM 0 H ARG A 39 130.508 13.955 25.511 1.00 0.44 H new ATOM 0 HA ARG A 39 129.977 14.290 28.321 1.00 0.47 H new ATOM 0 HB2 ARG A 39 128.964 15.803 26.761 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.344 14.495 25.774 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.437 15.188 26.916 1.00 0.75 H new ATOM 0 HG3 ARG A 39 126.966 13.829 27.888 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.546 15.474 29.502 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.282 15.585 29.288 1.00 0.97 H new ATOM 0 HE ARG A 39 127.079 17.396 27.451 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.450 16.941 30.947 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.362 18.672 31.292 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.968 19.611 27.914 1.00 1.48 H new ATOM 0 HH22 ARG A 39 127.091 20.175 29.584 1.00 1.48 H new ATOM 684 N VAL A 40 129.160 12.039 28.968 1.00 0.46 N ATOM 685 CA VAL A 40 128.612 10.756 29.411 1.00 0.53 C ATOM 686 C VAL A 40 127.162 10.897 29.876 1.00 0.53 C ATOM 687 O VAL A 40 126.732 11.978 30.283 1.00 0.66 O ATOM 688 CB VAL A 40 129.451 10.135 30.551 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.817 9.704 30.036 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.594 11.106 31.717 1.00 0.78 C ATOM 0 H VAL A 40 129.696 12.536 29.680 1.00 0.46 H new ATOM 0 HA VAL A 40 128.648 10.093 28.547 1.00 0.53 H new ATOM 0 HB VAL A 40 128.927 9.251 30.914 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.393 9.269 30.853 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.691 8.963 29.246 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.346 10.570 29.640 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.189 10.644 32.505 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.089 12.015 31.375 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.607 11.355 32.106 1.00 0.78 H new ATOM 700 N MET A 41 126.416 9.793 29.810 1.00 0.53 N ATOM 701 CA MET A 41 125.014 9.782 30.222 1.00 0.60 C ATOM 702 C MET A 41 124.720 8.587 31.126 1.00 0.86 C ATOM 703 O MET A 41 123.818 8.635 31.962 1.00 1.20 O ATOM 704 CB MET A 41 124.096 9.751 28.995 1.00 0.75 C ATOM 705 CG MET A 41 124.400 8.617 28.026 1.00 0.56 C ATOM 706 SD MET A 41 122.968 8.147 27.034 1.00 0.67 S ATOM 707 CE MET A 41 122.908 9.500 25.862 1.00 0.54 C ATOM 0 H MET A 41 126.761 8.894 29.474 1.00 0.53 H new ATOM 0 HA MET A 41 124.821 10.695 30.785 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.062 9.663 29.329 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.180 10.700 28.466 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.212 8.918 27.364 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.749 7.750 28.586 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.072 9.352 25.178 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.777 10.440 26.398 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.839 9.532 25.295 1.00 0.54 H new ATOM 718 N GLY B 1 135.208 4.597 -27.476 1.00 0.61 N ATOM 719 CA GLY B 1 136.422 3.990 -28.093 1.00 0.61 C ATOM 720 C GLY B 1 136.875 2.730 -27.377 1.00 0.52 C ATOM 721 O GLY B 1 136.838 1.639 -27.948 1.00 0.60 O ATOM 0 H1 GLY B 1 134.942 5.453 -28.003 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.424 3.914 -27.507 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.410 4.848 -26.487 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.215 3.755 -29.137 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.232 4.719 -28.085 1.00 0.61 H new ATOM 727 N SER B 2 137.303 2.884 -26.124 1.00 0.50 N ATOM 728 CA SER B 2 137.768 1.753 -25.319 1.00 0.49 C ATOM 729 C SER B 2 137.057 1.707 -23.969 1.00 0.47 C ATOM 730 O SER B 2 137.628 1.254 -22.977 1.00 0.63 O ATOM 731 CB SER B 2 139.284 1.836 -25.117 1.00 0.55 C ATOM 732 OG SER B 2 139.972 1.762 -26.356 1.00 0.67 O ATOM 0 H SER B 2 137.338 3.783 -25.643 1.00 0.50 H new ATOM 0 HA SER B 2 137.530 0.835 -25.856 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.536 2.769 -24.613 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.612 1.025 -24.467 1.00 0.55 H new ATOM 0 HG SER B 2 140.937 1.819 -26.198 1.00 0.67 H new ATOM 738 N LEU B 3 135.797 2.149 -23.944 1.00 0.48 N ATOM 739 CA LEU B 3 135.002 2.122 -22.721 1.00 0.55 C ATOM 740 C LEU B 3 134.296 0.772 -22.616 1.00 0.65 C ATOM 741 O LEU B 3 133.069 0.696 -22.512 1.00 1.02 O ATOM 742 CB LEU B 3 133.985 3.269 -22.711 1.00 0.62 C ATOM 743 CG LEU B 3 134.464 4.552 -22.028 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.402 5.329 -22.941 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.276 5.410 -21.618 1.00 0.76 C ATOM 0 H LEU B 3 135.310 2.528 -24.756 1.00 0.48 H new ATOM 0 HA LEU B 3 135.657 2.254 -21.860 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.714 3.503 -23.740 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.078 2.926 -22.212 1.00 0.62 H new ATOM 0 HG LEU B 3 135.017 4.279 -21.129 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.731 6.237 -22.436 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.269 4.713 -23.181 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.879 5.593 -23.860 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.633 6.319 -21.134 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.696 5.674 -22.502 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.647 4.853 -20.924 1.00 0.76 H new ATOM 757 N THR B 4 135.094 -0.292 -22.668 1.00 0.46 N ATOM 758 CA THR B 4 134.590 -1.655 -22.605 1.00 0.55 C ATOM 759 C THR B 4 135.438 -2.491 -21.643 1.00 0.42 C ATOM 760 O THR B 4 136.096 -1.942 -20.760 1.00 0.43 O ATOM 761 CB THR B 4 134.586 -2.270 -24.013 1.00 0.72 C ATOM 762 OG1 THR B 4 135.896 -2.298 -24.558 1.00 0.70 O ATOM 763 CG2 THR B 4 133.696 -1.524 -24.988 1.00 0.90 C ATOM 0 H THR B 4 136.108 -0.230 -22.755 1.00 0.46 H new ATOM 0 HA THR B 4 133.567 -1.644 -22.228 1.00 0.55 H new ATOM 0 HB THR B 4 134.194 -3.279 -23.885 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.869 -2.695 -25.454 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.738 -2.009 -25.963 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.669 -1.532 -24.623 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.040 -0.494 -25.080 1.00 0.90 H new ATOM 771 N TYR B 5 135.389 -3.816 -21.790 1.00 0.50 N ATOM 772 CA TYR B 5 136.124 -4.741 -20.916 1.00 0.45 C ATOM 773 C TYR B 5 137.586 -4.342 -20.681 1.00 0.41 C ATOM 774 O TYR B 5 138.107 -4.555 -19.585 1.00 0.46 O ATOM 775 CB TYR B 5 136.069 -6.157 -21.496 1.00 0.57 C ATOM 776 CG TYR B 5 136.671 -7.217 -20.595 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.056 -7.578 -19.402 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.854 -7.859 -20.942 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.601 -8.546 -18.581 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.406 -8.829 -20.126 1.00 0.92 C ATOM 781 CZ TYR B 5 137.776 -9.168 -18.947 1.00 0.67 C ATOM 782 OH TYR B 5 138.322 -10.133 -18.132 1.00 0.84 O ATOM 0 H TYR B 5 134.842 -4.280 -22.515 1.00 0.50 H new ATOM 0 HA TYR B 5 135.630 -4.699 -19.945 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.030 -6.415 -21.699 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.593 -6.167 -22.452 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.136 -7.093 -19.112 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.350 -7.596 -21.864 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.110 -8.814 -17.657 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.326 -9.319 -20.410 1.00 0.92 H new ATOM 0 HH TYR B 5 139.148 -10.472 -18.535 1.00 0.84 H new ATOM 792 N GLU B 6 138.256 -3.768 -21.685 1.00 0.49 N ATOM 793 CA GLU B 6 139.654 -3.365 -21.525 1.00 0.50 C ATOM 794 C GLU B 6 139.782 -2.109 -20.655 1.00 0.38 C ATOM 795 O GLU B 6 140.873 -1.789 -20.180 1.00 0.44 O ATOM 796 CB GLU B 6 140.297 -3.120 -22.894 1.00 0.62 C ATOM 797 CG GLU B 6 141.255 -4.221 -23.322 1.00 0.68 C ATOM 798 CD GLU B 6 142.166 -3.795 -24.458 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.203 -3.157 -24.179 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.843 -4.100 -25.625 1.00 1.14 O ATOM 0 H GLU B 6 137.859 -3.575 -22.604 1.00 0.49 H new ATOM 0 HA GLU B 6 140.176 -4.179 -21.022 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.511 -3.022 -23.643 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.834 -2.172 -22.870 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.862 -4.521 -22.468 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.682 -5.096 -23.629 1.00 0.68 H new ATOM 807 N GLU B 7 138.663 -1.412 -20.438 1.00 0.32 N ATOM 808 CA GLU B 7 138.654 -0.206 -19.616 1.00 0.29 C ATOM 809 C GLU B 7 138.586 -0.558 -18.134 1.00 0.27 C ATOM 810 O GLU B 7 139.355 -0.028 -17.333 1.00 0.43 O ATOM 811 CB GLU B 7 137.470 0.692 -19.983 1.00 0.43 C ATOM 812 CG GLU B 7 137.726 2.171 -19.731 1.00 0.57 C ATOM 813 CD GLU B 7 137.414 2.584 -18.304 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.218 2.731 -17.976 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.366 2.761 -17.514 1.00 0.80 O ATOM 0 H GLU B 7 137.753 -1.665 -20.822 1.00 0.32 H new ATOM 0 HA GLU B 7 139.582 0.332 -19.809 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.228 0.548 -21.036 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.597 0.380 -19.410 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.769 2.398 -19.951 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.120 2.763 -20.417 1.00 0.57 H new ATOM 822 N VAL B 8 137.666 -1.459 -17.776 1.00 0.35 N ATOM 823 CA VAL B 8 137.500 -1.884 -16.388 1.00 0.37 C ATOM 824 C VAL B 8 138.725 -2.654 -15.888 1.00 0.28 C ATOM 825 O VAL B 8 139.085 -2.556 -14.714 1.00 0.40 O ATOM 826 CB VAL B 8 136.229 -2.750 -16.216 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.390 -4.102 -16.896 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.888 -2.920 -14.743 1.00 0.78 C ATOM 0 H VAL B 8 137.025 -1.907 -18.431 1.00 0.35 H new ATOM 0 HA VAL B 8 137.392 -0.980 -15.788 1.00 0.37 H new ATOM 0 HB VAL B 8 135.401 -2.231 -16.699 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.482 -4.689 -16.759 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.569 -3.955 -17.961 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.235 -4.632 -16.456 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.991 -3.532 -14.645 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.718 -3.408 -14.231 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.710 -1.942 -14.295 1.00 0.78 H new ATOM 838 N LEU B 9 139.363 -3.418 -16.781 1.00 0.35 N ATOM 839 CA LEU B 9 140.549 -4.195 -16.420 1.00 0.49 C ATOM 840 C LEU B 9 141.601 -3.304 -15.758 1.00 0.52 C ATOM 841 O LEU B 9 142.058 -3.593 -14.651 1.00 0.74 O ATOM 842 CB LEU B 9 141.142 -4.879 -17.657 1.00 0.65 C ATOM 843 CG LEU B 9 140.586 -6.273 -17.960 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.972 -6.709 -19.366 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.079 -7.282 -16.930 1.00 0.76 C ATOM 0 H LEU B 9 139.078 -3.514 -17.756 1.00 0.35 H new ATOM 0 HA LEU B 9 140.246 -4.962 -15.707 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.970 -4.240 -18.523 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.222 -4.956 -17.527 1.00 0.65 H new ATOM 0 HG LEU B 9 139.498 -6.229 -17.902 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.568 -7.702 -19.563 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.567 -6.002 -20.090 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.058 -6.735 -19.453 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.673 -8.267 -17.162 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.168 -7.323 -16.954 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.749 -6.979 -15.936 1.00 0.76 H new ATOM 857 N GLN B 10 141.973 -2.214 -16.439 1.00 0.41 N ATOM 858 CA GLN B 10 142.963 -1.273 -15.913 1.00 0.48 C ATOM 859 C GLN B 10 142.451 -0.557 -14.658 1.00 0.42 C ATOM 860 O GLN B 10 143.243 -0.029 -13.876 1.00 0.48 O ATOM 861 CB GLN B 10 143.339 -0.242 -16.981 1.00 0.58 C ATOM 862 CG GLN B 10 144.328 -0.765 -18.013 1.00 0.66 C ATOM 863 CD GLN B 10 145.772 -0.543 -17.602 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.354 -1.352 -16.878 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.361 0.557 -18.062 1.00 0.83 N ATOM 0 H GLN B 10 141.602 -1.964 -17.356 1.00 0.41 H new ATOM 0 HA GLN B 10 143.847 -1.848 -15.638 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.434 0.086 -17.492 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.765 0.635 -16.493 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.158 -1.831 -18.167 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.146 -0.272 -18.968 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.843 1.201 -18.659 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.331 0.756 -17.817 1.00 0.83 H new ATOM 874 N GLU B 11 141.128 -0.535 -14.466 1.00 0.40 N ATOM 875 CA GLU B 11 140.538 0.116 -13.300 1.00 0.42 C ATOM 876 C GLU B 11 140.835 -0.680 -12.030 1.00 0.37 C ATOM 877 O GLU B 11 141.403 -0.141 -11.078 1.00 0.54 O ATOM 878 CB GLU B 11 139.023 0.285 -13.471 1.00 0.48 C ATOM 879 CG GLU B 11 138.637 1.228 -14.601 1.00 0.62 C ATOM 880 CD GLU B 11 137.304 1.912 -14.366 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.237 2.799 -13.490 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.327 1.561 -15.062 1.00 1.61 O ATOM 0 H GLU B 11 140.452 -0.959 -15.101 1.00 0.40 H new ATOM 0 HA GLU B 11 140.987 1.105 -13.209 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.576 -0.692 -13.656 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.600 0.658 -12.538 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.413 1.985 -14.718 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.594 0.669 -15.536 1.00 0.62 H new ATOM 889 N LEU B 12 140.438 -1.959 -12.013 1.00 0.32 N ATOM 890 CA LEU B 12 140.647 -2.834 -10.856 1.00 0.30 C ATOM 891 C LEU B 12 142.086 -2.793 -10.337 1.00 0.28 C ATOM 892 O LEU B 12 142.300 -2.671 -9.129 1.00 0.36 O ATOM 893 CB LEU B 12 140.268 -4.277 -11.220 1.00 0.32 C ATOM 894 CG LEU B 12 139.724 -5.136 -10.071 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.796 -5.371 -9.017 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.492 -4.490 -9.451 1.00 0.54 C ATOM 0 H LEU B 12 139.966 -2.412 -12.796 1.00 0.32 H new ATOM 0 HA LEU B 12 140.005 -2.466 -10.055 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.519 -4.247 -12.012 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.148 -4.771 -11.632 1.00 0.32 H new ATOM 0 HG LEU B 12 139.432 -6.103 -10.480 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.387 -5.982 -8.212 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.644 -5.886 -9.469 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.126 -4.414 -8.614 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.123 -5.116 -8.639 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.754 -3.506 -9.061 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.716 -4.385 -10.209 1.00 0.54 H new ATOM 908 N VAL B 13 143.073 -2.907 -11.235 1.00 0.25 N ATOM 909 CA VAL B 13 144.474 -2.889 -10.814 1.00 0.26 C ATOM 910 C VAL B 13 144.781 -1.634 -9.993 1.00 0.22 C ATOM 911 O VAL B 13 145.243 -1.744 -8.858 1.00 0.26 O ATOM 912 CB VAL B 13 145.466 -3.031 -12.003 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.481 -1.795 -12.888 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.866 -3.344 -11.492 1.00 0.52 C ATOM 0 H VAL B 13 142.929 -3.011 -12.239 1.00 0.25 H new ATOM 0 HA VAL B 13 144.620 -3.765 -10.182 1.00 0.26 H new ATOM 0 HB VAL B 13 145.120 -3.861 -12.619 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.188 -1.941 -13.705 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.484 -1.628 -13.297 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.781 -0.929 -12.298 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.548 -3.440 -12.336 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.205 -2.537 -10.842 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.848 -4.279 -10.931 1.00 0.52 H new ATOM 924 N LYS B 14 144.532 -0.447 -10.560 1.00 0.24 N ATOM 925 CA LYS B 14 144.788 0.815 -9.861 1.00 0.25 C ATOM 926 C LYS B 14 144.177 0.822 -8.458 1.00 0.22 C ATOM 927 O LYS B 14 144.758 1.385 -7.532 1.00 0.29 O ATOM 928 CB LYS B 14 144.230 1.992 -10.668 1.00 0.34 C ATOM 929 CG LYS B 14 144.985 2.265 -11.959 1.00 0.87 C ATOM 930 CD LYS B 14 144.278 3.311 -12.809 1.00 0.75 C ATOM 931 CE LYS B 14 144.538 4.721 -12.296 1.00 0.70 C ATOM 932 NZ LYS B 14 144.513 5.731 -13.392 1.00 0.72 N ATOM 0 H LYS B 14 144.154 -0.336 -11.501 1.00 0.24 H new ATOM 0 HA LYS B 14 145.869 0.917 -9.761 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.184 1.795 -10.905 1.00 0.34 H new ATOM 0 HB3 LYS B 14 144.253 2.888 -10.048 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.994 2.605 -11.726 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.084 1.340 -12.527 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.617 3.231 -13.842 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.206 3.116 -12.810 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.787 4.979 -11.549 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.507 4.752 -11.797 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.695 6.676 -12.997 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.247 5.501 -14.092 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.580 5.721 -13.852 1.00 0.72 H new ATOM 946 N HIS B 15 143.008 0.193 -8.304 1.00 0.24 N ATOM 947 CA HIS B 15 142.332 0.130 -7.006 1.00 0.27 C ATOM 948 C HIS B 15 143.105 -0.754 -6.028 1.00 0.25 C ATOM 949 O HIS B 15 143.213 -0.433 -4.843 1.00 0.45 O ATOM 950 CB HIS B 15 140.906 -0.408 -7.168 1.00 0.33 C ATOM 951 CG HIS B 15 139.940 0.589 -7.733 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.625 0.672 -7.326 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.099 1.544 -8.681 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.018 1.633 -7.998 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.890 2.177 -8.826 1.00 0.76 N ATOM 0 H HIS B 15 142.512 -0.278 -9.060 1.00 0.24 H new ATOM 0 HA HIS B 15 142.290 1.142 -6.604 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.930 -1.283 -7.817 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.542 -0.742 -6.196 1.00 0.33 H new ATOM 0 HD2 HIS B 15 141.007 1.766 -9.221 1.00 0.74 H new ATOM 0 HE1 HIS B 15 136.984 1.924 -7.889 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.697 2.944 -9.470 1.00 0.76 H new ATOM 964 N LYS B 16 143.644 -1.864 -6.537 1.00 0.21 N ATOM 965 CA LYS B 16 144.415 -2.794 -5.715 1.00 0.27 C ATOM 966 C LYS B 16 145.789 -2.213 -5.376 1.00 0.36 C ATOM 967 O LYS B 16 146.248 -2.318 -4.238 1.00 0.69 O ATOM 968 CB LYS B 16 144.578 -4.137 -6.437 1.00 0.35 C ATOM 969 CG LYS B 16 143.626 -5.216 -5.942 1.00 0.46 C ATOM 970 CD LYS B 16 143.295 -6.218 -7.038 1.00 0.49 C ATOM 971 CE LYS B 16 144.055 -7.525 -6.859 1.00 0.53 C ATOM 972 NZ LYS B 16 145.407 -7.479 -7.484 1.00 0.61 N ATOM 0 H LYS B 16 143.560 -2.139 -7.516 1.00 0.21 H new ATOM 0 HA LYS B 16 143.869 -2.955 -4.785 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.420 -3.987 -7.505 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.604 -4.484 -6.312 1.00 0.35 H new ATOM 0 HG2 LYS B 16 144.074 -5.737 -5.096 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.707 -4.754 -5.582 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.223 -6.418 -7.036 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.537 -5.787 -8.009 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.155 -7.743 -5.796 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.481 -8.341 -7.299 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.888 -8.389 -7.338 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.312 -7.297 -8.504 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.966 -6.718 -7.047 1.00 0.61 H new ATOM 986 N GLU B 17 146.435 -1.594 -6.369 1.00 0.30 N ATOM 987 CA GLU B 17 147.752 -0.990 -6.180 1.00 0.38 C ATOM 988 C GLU B 17 147.673 0.253 -5.289 1.00 0.32 C ATOM 989 O GLU B 17 148.601 0.534 -4.529 1.00 0.40 O ATOM 990 CB GLU B 17 148.364 -0.625 -7.536 1.00 0.51 C ATOM 991 CG GLU B 17 149.860 -0.359 -7.480 1.00 0.80 C ATOM 992 CD GLU B 17 150.356 0.435 -8.673 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.714 -0.189 -9.694 1.00 1.47 O ATOM 994 OE2 GLU B 17 150.384 1.681 -8.588 1.00 1.49 O ATOM 0 H GLU B 17 146.063 -1.499 -7.314 1.00 0.30 H new ATOM 0 HA GLU B 17 148.388 -1.722 -5.682 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.174 -1.435 -8.240 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.861 0.260 -7.925 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.095 0.183 -6.564 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.393 -1.309 -7.433 1.00 0.80 H new ATOM 1001 N LEU B 18 146.558 0.986 -5.377 1.00 0.32 N ATOM 1002 CA LEU B 18 146.366 2.188 -4.564 1.00 0.34 C ATOM 1003 C LEU B 18 146.194 1.814 -3.095 1.00 0.35 C ATOM 1004 O LEU B 18 146.756 2.465 -2.212 1.00 0.66 O ATOM 1005 CB LEU B 18 145.152 2.989 -5.046 1.00 0.51 C ATOM 1006 CG LEU B 18 145.462 4.084 -6.071 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.187 4.544 -6.762 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.164 5.259 -5.404 1.00 0.75 C ATOM 0 H LEU B 18 145.780 0.768 -6.000 1.00 0.32 H new ATOM 0 HA LEU B 18 147.254 2.811 -4.671 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.430 2.298 -5.482 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.672 3.448 -4.181 1.00 0.51 H new ATOM 0 HG LEU B 18 146.131 3.669 -6.825 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.426 5.322 -7.487 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.726 3.700 -7.275 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.494 4.940 -6.020 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.376 6.026 -6.148 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.521 5.674 -4.628 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.098 4.919 -4.958 1.00 0.75 H new ATOM 1020 N LEU B 19 145.429 0.748 -2.842 1.00 0.45 N ATOM 1021 CA LEU B 19 145.201 0.271 -1.482 1.00 0.47 C ATOM 1022 C LEU B 19 146.500 -0.265 -0.882 1.00 0.33 C ATOM 1023 O LEU B 19 146.751 -0.109 0.315 1.00 0.45 O ATOM 1024 CB LEU B 19 144.127 -0.821 -1.472 1.00 0.63 C ATOM 1025 CG LEU B 19 142.702 -0.325 -1.220 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.687 -1.279 -1.835 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.452 -0.160 0.273 1.00 0.96 C ATOM 0 H LEU B 19 144.959 0.202 -3.564 1.00 0.45 H new ATOM 0 HA LEU B 19 144.854 1.108 -0.876 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.150 -1.341 -2.430 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.382 -1.553 -0.705 1.00 0.63 H new ATOM 0 HG LEU B 19 142.586 0.649 -1.696 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.679 -0.910 -1.645 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.854 -1.344 -2.910 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.801 -2.268 -1.390 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.434 0.193 0.435 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.587 -1.119 0.773 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.157 0.564 0.682 1.00 0.96 H new ATOM 1039 N ARG B 20 147.327 -0.887 -1.728 1.00 0.35 N ATOM 1040 CA ARG B 20 148.609 -1.436 -1.292 1.00 0.49 C ATOM 1041 C ARG B 20 149.517 -0.322 -0.782 1.00 0.40 C ATOM 1042 O ARG B 20 149.925 -0.341 0.381 1.00 0.49 O ATOM 1043 CB ARG B 20 149.286 -2.196 -2.438 1.00 0.76 C ATOM 1044 CG ARG B 20 148.749 -3.605 -2.632 1.00 0.85 C ATOM 1045 CD ARG B 20 149.855 -4.581 -3.001 1.00 0.96 C ATOM 1046 NE ARG B 20 149.378 -5.962 -3.034 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.173 -7.027 -3.157 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.491 -6.879 -3.272 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.646 -8.247 -3.168 1.00 1.59 N ATOM 0 H ARG B 20 147.129 -1.022 -2.719 1.00 0.35 H new ATOM 0 HA ARG B 20 148.426 -2.136 -0.476 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.154 -1.635 -3.363 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.358 -2.247 -2.246 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.260 -3.938 -1.716 1.00 0.85 H new ATOM 0 HG3 ARG B 20 147.991 -3.601 -3.415 1.00 0.85 H new ATOM 0 HD2 ARG B 20 150.263 -4.315 -3.976 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.669 -4.496 -2.281 1.00 0.96 H new ATOM 0 HE ARG B 20 148.374 -6.122 -2.958 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.902 -5.945 -3.267 1.00 1.68 H new ATOM 0 HH12 ARG B 20 152.090 -7.699 -3.365 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.637 -8.367 -3.083 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.251 -9.063 -3.262 1.00 1.59 H new ATOM 1063 N ARG B 21 149.833 0.649 -1.649 1.00 0.35 N ATOM 1064 CA ARG B 21 150.693 1.773 -1.276 1.00 0.35 C ATOM 1065 C ARG B 21 150.209 2.447 0.007 1.00 0.34 C ATOM 1066 O ARG B 21 151.020 2.835 0.843 1.00 0.47 O ATOM 1067 CB ARG B 21 150.738 2.799 -2.414 1.00 0.45 C ATOM 1068 CG ARG B 21 152.031 3.598 -2.477 1.00 0.70 C ATOM 1069 CD ARG B 21 152.160 4.341 -3.799 1.00 0.98 C ATOM 1070 NE ARG B 21 152.797 5.650 -3.642 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.801 6.598 -4.584 1.00 1.25 C ATOM 1072 NH1 ARG B 21 152.214 6.388 -5.760 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.398 7.762 -4.349 1.00 1.53 N ATOM 0 H ARG B 21 149.504 0.676 -2.614 1.00 0.35 H new ATOM 0 HA ARG B 21 151.694 1.381 -1.096 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.597 2.281 -3.362 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.902 3.489 -2.300 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.061 4.311 -1.653 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.881 2.928 -2.350 1.00 0.70 H new ATOM 0 HD2 ARG B 21 152.741 3.738 -4.497 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.171 4.471 -4.238 1.00 0.98 H new ATOM 0 HE ARG B 21 153.267 5.851 -2.759 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.755 5.497 -5.949 1.00 2.12 H new ATOM 0 HH12 ARG B 21 152.223 7.118 -6.472 1.00 2.12 H new ATOM 0 HH21 ARG B 21 153.852 7.930 -3.451 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.402 8.487 -5.066 1.00 1.53 H new ATOM 1087 N LYS B 22 148.884 2.588 0.152 1.00 0.30 N ATOM 1088 CA LYS B 22 148.298 3.218 1.339 1.00 0.36 C ATOM 1089 C LYS B 22 148.964 2.703 2.617 1.00 0.31 C ATOM 1090 O LYS B 22 149.305 3.486 3.505 1.00 0.36 O ATOM 1091 CB LYS B 22 146.787 2.963 1.393 1.00 0.47 C ATOM 1092 CG LYS B 22 145.965 4.234 1.540 1.00 0.69 C ATOM 1093 CD LYS B 22 144.472 3.944 1.496 1.00 0.86 C ATOM 1094 CE LYS B 22 143.941 3.525 2.859 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.454 4.689 3.651 1.00 0.70 N ATOM 0 H LYS B 22 148.201 2.274 -0.537 1.00 0.30 H new ATOM 0 HA LYS B 22 148.471 4.292 1.269 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.481 2.444 0.485 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.568 2.299 2.229 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.214 4.722 2.482 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.225 4.930 0.742 1.00 0.69 H new ATOM 0 HD2 LYS B 22 143.939 4.831 1.154 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.276 3.155 0.770 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.128 2.811 2.727 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.728 3.014 3.413 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 143.101 4.359 4.572 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.235 5.359 3.799 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.685 5.163 3.135 1.00 0.70 H new ATOM 1109 N ASP B 23 149.173 1.386 2.684 1.00 0.32 N ATOM 1110 CA ASP B 23 149.827 0.766 3.833 1.00 0.32 C ATOM 1111 C ASP B 23 151.329 1.045 3.790 1.00 0.30 C ATOM 1112 O ASP B 23 151.896 1.588 4.735 1.00 0.37 O ATOM 1113 CB ASP B 23 149.568 -0.744 3.842 1.00 0.36 C ATOM 1114 CG ASP B 23 148.576 -1.155 4.913 1.00 0.75 C ATOM 1115 OD1 ASP B 23 147.358 -1.093 4.648 1.00 1.15 O ATOM 1116 OD2 ASP B 23 149.018 -1.538 6.017 1.00 1.11 O ATOM 0 H ASP B 23 148.897 0.730 1.954 1.00 0.32 H new ATOM 0 HA ASP B 23 149.414 1.193 4.747 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.192 -1.051 2.866 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.509 -1.270 4.001 1.00 0.36 H new ATOM 1121 N THR B 24 151.961 0.660 2.681 1.00 0.28 N ATOM 1122 CA THR B 24 153.401 0.859 2.488 1.00 0.29 C ATOM 1123 C THR B 24 153.835 2.288 2.853 1.00 0.27 C ATOM 1124 O THR B 24 154.932 2.489 3.374 1.00 0.32 O ATOM 1125 CB THR B 24 153.782 0.542 1.035 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.360 -0.766 0.682 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.270 0.631 0.761 1.00 0.55 C ATOM 0 H THR B 24 151.495 0.205 1.896 1.00 0.28 H new ATOM 0 HA THR B 24 153.925 0.177 3.158 1.00 0.29 H new ATOM 0 HB THR B 24 153.278 1.301 0.437 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.609 -0.950 -0.248 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.462 0.394 -0.285 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.619 1.641 0.974 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.800 -0.078 1.397 1.00 0.55 H new ATOM 1135 N HIS B 25 152.968 3.273 2.582 1.00 0.26 N ATOM 1136 CA HIS B 25 153.268 4.673 2.890 1.00 0.29 C ATOM 1137 C HIS B 25 153.184 4.938 4.393 1.00 0.31 C ATOM 1138 O HIS B 25 154.100 5.519 4.974 1.00 0.41 O ATOM 1139 CB HIS B 25 152.318 5.609 2.137 1.00 0.34 C ATOM 1140 CG HIS B 25 152.944 6.913 1.743 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.914 7.545 2.497 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.736 7.705 0.664 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.272 8.667 1.899 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.573 8.786 0.786 1.00 0.74 N ATOM 0 H HIS B 25 152.056 3.124 2.151 1.00 0.26 H new ATOM 0 HA HIS B 25 154.289 4.872 2.564 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.958 5.103 1.241 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.447 5.808 2.762 1.00 0.34 H new ATOM 0 HD1 HIS B 25 154.294 7.199 3.378 1.00 0.86 H new ATOM 0 HD2 HIS B 25 152.041 7.520 -0.142 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.011 9.368 2.259 1.00 0.72 H new ATOM 1153 N ILE B 26 152.096 4.497 5.030 1.00 0.29 N ATOM 1154 CA ILE B 26 151.949 4.684 6.474 1.00 0.35 C ATOM 1155 C ILE B 26 152.942 3.794 7.235 1.00 0.35 C ATOM 1156 O ILE B 26 153.190 4.002 8.424 1.00 0.47 O ATOM 1157 CB ILE B 26 150.503 4.413 6.969 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.033 3.002 6.598 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.548 5.455 6.401 1.00 0.54 C ATOM 1160 CD1 ILE B 26 150.499 1.930 7.559 1.00 0.68 C ATOM 0 H ILE B 26 151.318 4.017 4.578 1.00 0.29 H new ATOM 0 HA ILE B 26 152.168 5.732 6.679 1.00 0.35 H new ATOM 0 HB ILE B 26 150.505 4.485 8.057 1.00 0.41 H new ATOM 0 HG12 ILE B 26 148.944 2.991 6.557 1.00 0.40 H new ATOM 0 HG13 ILE B 26 150.392 2.761 5.598 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.537 5.254 6.756 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.856 6.448 6.728 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.566 5.410 5.312 1.00 0.54 H new ATOM 0 HD11 ILE B 26 150.127 0.960 7.230 1.00 0.68 H new ATOM 0 HD12 ILE B 26 151.589 1.912 7.583 1.00 0.68 H new ATOM 0 HD13 ILE B 26 150.118 2.145 8.557 1.00 0.68 H new ATOM 1172 N ARG B 27 153.526 2.815 6.526 1.00 0.31 N ATOM 1173 CA ARG B 27 154.508 1.906 7.106 1.00 0.37 C ATOM 1174 C ARG B 27 155.917 2.494 6.988 1.00 0.34 C ATOM 1175 O ARG B 27 156.702 2.423 7.936 1.00 0.39 O ATOM 1176 CB ARG B 27 154.440 0.541 6.410 1.00 0.46 C ATOM 1177 CG ARG B 27 155.371 -0.503 7.007 1.00 0.53 C ATOM 1178 CD ARG B 27 156.194 -1.192 5.930 1.00 0.80 C ATOM 1179 NE ARG B 27 157.164 -2.133 6.491 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.188 -2.647 5.805 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.378 -2.319 4.528 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.024 -3.493 6.396 1.00 1.67 N ATOM 0 H ARG B 27 153.328 2.638 5.541 1.00 0.31 H new ATOM 0 HA ARG B 27 154.278 1.773 8.163 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.416 0.170 6.458 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.683 0.670 5.355 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.037 -0.029 7.729 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.787 -1.245 7.551 1.00 0.53 H new ATOM 0 HD2 ARG B 27 155.528 -1.723 5.250 1.00 0.80 H new ATOM 0 HD3 ARG B 27 156.719 -0.441 5.340 1.00 0.80 H new ATOM 0 HE ARG B 27 157.051 -2.413 7.465 1.00 0.90 H new ATOM 0 HH11 ARG B 27 157.739 -1.671 4.067 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.162 -2.716 4.011 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.884 -3.750 7.373 1.00 1.67 H new ATOM 0 HH22 ARG B 27 159.806 -3.886 5.873 1.00 1.67 H new ATOM 1196 N GLU B 28 156.230 3.089 5.828 1.00 0.33 N ATOM 1197 CA GLU B 28 157.544 3.700 5.617 1.00 0.36 C ATOM 1198 C GLU B 28 157.690 4.947 6.488 1.00 0.35 C ATOM 1199 O GLU B 28 158.745 5.176 7.082 1.00 0.44 O ATOM 1200 CB GLU B 28 157.782 4.038 4.137 1.00 0.47 C ATOM 1201 CG GLU B 28 156.780 5.017 3.543 1.00 0.78 C ATOM 1202 CD GLU B 28 157.361 6.403 3.337 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.174 6.575 2.404 1.00 1.62 O ATOM 1204 OE2 GLU B 28 157.002 7.318 4.107 1.00 1.79 O ATOM 0 H GLU B 28 155.597 3.158 5.031 1.00 0.33 H new ATOM 0 HA GLU B 28 158.303 2.974 5.909 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.784 4.453 4.029 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.756 3.115 3.558 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.425 4.631 2.587 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.913 5.086 4.200 1.00 0.78 H new ATOM 1211 N LEU B 29 156.613 5.736 6.583 1.00 0.33 N ATOM 1212 CA LEU B 29 156.609 6.942 7.410 1.00 0.38 C ATOM 1213 C LEU B 29 156.631 6.588 8.904 1.00 0.42 C ATOM 1214 O LEU B 29 156.817 7.463 9.751 1.00 0.79 O ATOM 1215 CB LEU B 29 155.379 7.799 7.098 1.00 0.46 C ATOM 1216 CG LEU B 29 155.627 9.310 7.101 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.421 9.889 5.708 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.719 10.000 8.111 1.00 0.59 C ATOM 0 H LEU B 29 155.734 5.558 6.096 1.00 0.33 H new ATOM 0 HA LEU B 29 157.510 7.510 7.177 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.992 7.511 6.120 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.602 7.572 7.828 1.00 0.46 H new ATOM 0 HG LEU B 29 156.661 9.488 7.395 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.602 10.964 5.730 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.116 9.419 5.012 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.398 9.700 5.383 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.910 11.073 8.098 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.677 9.814 7.850 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.919 9.607 9.108 1.00 0.59 H new ATOM 1230 N GLU B 30 156.478 5.295 9.214 1.00 0.43 N ATOM 1231 CA GLU B 30 156.516 4.825 10.593 1.00 0.45 C ATOM 1232 C GLU B 30 157.962 4.770 11.091 1.00 0.44 C ATOM 1233 O GLU B 30 158.222 4.957 12.280 1.00 0.58 O ATOM 1234 CB GLU B 30 155.850 3.452 10.717 1.00 0.51 C ATOM 1235 CG GLU B 30 154.593 3.467 11.572 1.00 0.58 C ATOM 1236 CD GLU B 30 154.898 3.580 13.055 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.230 4.695 13.511 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.807 2.553 13.759 1.00 1.26 O ATOM 0 H GLU B 30 156.327 4.559 8.524 1.00 0.43 H new ATOM 0 HA GLU B 30 155.959 5.527 11.214 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.599 3.087 9.721 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.563 2.747 11.145 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.962 4.303 11.270 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.023 2.556 11.390 1.00 0.58 H new ATOM 1245 N ASP B 31 158.903 4.555 10.162 1.00 0.41 N ATOM 1246 CA ASP B 31 160.328 4.522 10.493 1.00 0.55 C ATOM 1247 C ASP B 31 160.883 5.949 10.590 1.00 0.57 C ATOM 1248 O ASP B 31 161.894 6.191 11.252 1.00 0.76 O ATOM 1249 CB ASP B 31 161.104 3.726 9.439 1.00 0.69 C ATOM 1250 CG ASP B 31 161.647 2.420 9.985 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.711 2.446 10.640 1.00 1.66 O ATOM 1252 OD2 ASP B 31 161.008 1.371 9.760 1.00 1.74 O ATOM 0 H ASP B 31 158.699 4.401 9.174 1.00 0.41 H new ATOM 0 HA ASP B 31 160.448 4.031 11.459 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.451 3.519 8.591 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.930 4.332 9.065 1.00 0.69 H new ATOM 1257 N TYR B 32 160.181 6.892 9.948 1.00 0.49 N ATOM 1258 CA TYR B 32 160.565 8.300 9.980 1.00 0.56 C ATOM 1259 C TYR B 32 160.246 8.887 11.354 1.00 0.56 C ATOM 1260 O TYR B 32 161.037 9.646 11.915 1.00 0.67 O ATOM 1261 CB TYR B 32 159.844 9.088 8.881 1.00 0.60 C ATOM 1262 CG TYR B 32 160.543 9.031 7.539 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.611 9.874 7.252 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.135 8.134 6.560 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.251 9.823 6.028 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.771 8.077 5.334 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.828 8.924 5.073 1.00 1.21 C ATOM 1268 OH TYR B 32 162.464 8.870 3.853 1.00 1.53 O ATOM 0 H TYR B 32 159.343 6.699 9.400 1.00 0.49 H new ATOM 0 HA TYR B 32 161.637 8.375 9.798 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.832 8.700 8.771 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.754 10.129 9.191 1.00 0.60 H new ATOM 0 HD1 TYR B 32 161.946 10.580 7.998 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.307 7.470 6.760 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.079 10.485 5.821 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.442 7.373 4.584 1.00 1.17 H new ATOM 0 HH TYR B 32 162.044 8.182 3.295 1.00 1.53 H new ATOM 1278 N ILE B 33 159.089 8.499 11.898 1.00 0.54 N ATOM 1279 CA ILE B 33 158.664 8.951 13.221 1.00 0.64 C ATOM 1280 C ILE B 33 159.332 8.114 14.323 1.00 0.58 C ATOM 1281 O ILE B 33 159.317 8.495 15.494 1.00 0.78 O ATOM 1282 CB ILE B 33 157.128 8.867 13.384 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.420 9.553 12.210 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.694 9.492 14.704 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.056 8.974 11.901 1.00 0.87 C ATOM 0 H ILE B 33 158.430 7.871 11.439 1.00 0.54 H new ATOM 0 HA ILE B 33 158.971 9.993 13.316 1.00 0.64 H new ATOM 0 HB ILE B 33 156.844 7.815 13.390 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.313 10.615 12.432 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.048 9.475 11.322 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.610 9.423 14.800 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.166 8.961 15.531 1.00 0.98 H new ATOM 0 HG23 ILE B 33 156.994 10.540 14.727 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.616 9.509 11.060 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.158 7.919 11.647 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.411 9.077 12.774 1.00 0.87 H new ATOM 1297 N ASP B 34 159.937 6.984 13.931 1.00 0.46 N ATOM 1298 CA ASP B 34 160.627 6.109 14.877 1.00 0.50 C ATOM 1299 C ASP B 34 161.920 6.760 15.371 1.00 0.40 C ATOM 1300 O ASP B 34 162.308 6.573 16.516 1.00 0.45 O ATOM 1301 CB ASP B 34 160.933 4.753 14.233 1.00 0.69 C ATOM 1302 CG ASP B 34 160.134 3.623 14.857 1.00 0.82 C ATOM 1303 OD1 ASP B 34 158.893 3.621 14.713 1.00 1.34 O ATOM 1304 OD2 ASP B 34 160.751 2.740 15.488 1.00 1.46 O ATOM 0 H ASP B 34 159.960 6.658 12.965 1.00 0.46 H new ATOM 0 HA ASP B 34 159.969 5.949 15.732 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.715 4.803 13.166 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.997 4.539 14.331 1.00 0.69 H new ATOM 1309 N ASN B 35 162.573 7.527 14.492 1.00 0.52 N ATOM 1310 CA ASN B 35 163.822 8.220 14.831 1.00 0.58 C ATOM 1311 C ASN B 35 163.729 8.881 16.209 1.00 0.49 C ATOM 1312 O ASN B 35 164.695 8.874 16.973 1.00 0.61 O ATOM 1313 CB ASN B 35 164.161 9.274 13.771 1.00 0.78 C ATOM 1314 CG ASN B 35 164.413 8.669 12.400 1.00 0.90 C ATOM 1315 OD1 ASN B 35 165.012 7.600 12.279 1.00 1.65 O ATOM 1316 ND2 ASN B 35 163.959 9.355 11.355 1.00 1.31 N ATOM 0 H ASN B 35 162.256 7.685 13.535 1.00 0.52 H new ATOM 0 HA ASN B 35 164.617 7.475 14.857 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.342 9.990 13.702 1.00 0.78 H new ATOM 0 HB3 ASN B 35 165.044 9.829 14.086 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.102 8.999 10.410 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.467 10.237 11.499 1.00 1.31 H new ATOM 1323 N LEU B 36 162.552 9.432 16.526 1.00 0.44 N ATOM 1324 CA LEU B 36 162.326 10.074 17.820 1.00 0.51 C ATOM 1325 C LEU B 36 162.380 9.037 18.943 1.00 0.47 C ATOM 1326 O LEU B 36 163.036 9.250 19.964 1.00 0.59 O ATOM 1327 CB LEU B 36 160.971 10.794 17.838 1.00 0.71 C ATOM 1328 CG LEU B 36 160.715 11.743 16.662 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.228 12.035 16.527 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.501 13.036 16.833 1.00 1.64 C ATOM 0 H LEU B 36 161.744 9.445 15.903 1.00 0.44 H new ATOM 0 HA LEU B 36 163.114 10.810 17.978 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.180 10.044 17.856 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.893 11.362 18.765 1.00 0.71 H new ATOM 0 HG LEU B 36 161.055 11.256 15.748 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.065 12.710 15.687 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.689 11.104 16.354 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.864 12.500 17.443 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.305 13.695 15.988 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.195 13.529 17.756 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.567 12.811 16.878 1.00 1.64 H new ATOM 1342 N LEU B 37 161.695 7.909 18.735 1.00 0.41 N ATOM 1343 CA LEU B 37 161.669 6.822 19.713 1.00 0.48 C ATOM 1344 C LEU B 37 162.243 5.538 19.105 1.00 0.41 C ATOM 1345 O LEU B 37 161.558 4.515 19.018 1.00 0.54 O ATOM 1346 CB LEU B 37 160.236 6.584 20.208 1.00 0.65 C ATOM 1347 CG LEU B 37 159.187 6.387 19.107 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.243 5.246 19.463 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.410 7.676 18.874 1.00 0.69 C ATOM 0 H LEU B 37 161.149 7.726 17.893 1.00 0.41 H new ATOM 0 HA LEU B 37 162.288 7.108 20.563 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.233 5.704 20.852 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.937 7.431 20.825 1.00 0.65 H new ATOM 0 HG LEU B 37 159.703 6.126 18.183 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.506 5.122 18.669 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.813 4.324 19.576 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.733 5.474 20.399 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.670 7.518 18.089 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.906 7.968 19.795 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.098 8.465 18.570 1.00 0.69 H new ATOM 1361 N VAL B 38 163.506 5.607 18.675 1.00 0.36 N ATOM 1362 CA VAL B 38 164.185 4.463 18.058 1.00 0.49 C ATOM 1363 C VAL B 38 164.019 3.198 18.907 1.00 0.67 C ATOM 1364 O VAL B 38 163.703 3.280 20.093 1.00 1.35 O ATOM 1365 CB VAL B 38 165.691 4.754 17.841 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.352 3.644 17.035 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.885 6.098 17.151 1.00 0.89 C ATOM 0 H VAL B 38 164.081 6.447 18.743 1.00 0.36 H new ATOM 0 HA VAL B 38 163.719 4.297 17.087 1.00 0.49 H new ATOM 0 HB VAL B 38 166.168 4.794 18.820 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.409 3.874 16.898 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.253 2.699 17.568 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.868 3.564 16.061 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.950 6.283 17.008 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.386 6.085 16.182 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.459 6.889 17.768 1.00 0.89 H new ATOM 1377 N ARG B 39 164.213 2.036 18.271 1.00 0.54 N ATOM 1378 CA ARG B 39 164.067 0.734 18.933 1.00 0.62 C ATOM 1379 C ARG B 39 164.839 0.662 20.257 1.00 0.51 C ATOM 1380 O ARG B 39 165.966 0.163 20.309 1.00 0.63 O ATOM 1381 CB ARG B 39 164.525 -0.388 17.993 1.00 0.93 C ATOM 1382 CG ARG B 39 163.802 -1.706 18.219 1.00 1.15 C ATOM 1383 CD ARG B 39 164.360 -2.808 17.331 1.00 1.41 C ATOM 1384 NE ARG B 39 163.652 -2.901 16.054 1.00 1.58 N ATOM 1385 CZ ARG B 39 164.101 -3.583 14.997 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.257 -4.242 15.057 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.390 -3.608 13.875 1.00 2.18 N ATOM 0 H ARG B 39 164.474 1.972 17.287 1.00 0.54 H new ATOM 0 HA ARG B 39 163.010 0.607 19.169 1.00 0.62 H new ATOM 0 HB2 ARG B 39 164.371 -0.071 16.961 1.00 0.93 H new ATOM 0 HB3 ARG B 39 165.596 -0.544 18.122 1.00 0.93 H new ATOM 0 HG2 ARG B 39 163.895 -1.998 19.265 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.739 -1.578 18.017 1.00 1.15 H new ATOM 0 HD2 ARG B 39 165.418 -2.622 17.145 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.291 -3.762 17.853 1.00 1.41 H new ATOM 0 HE ARG B 39 162.760 -2.415 15.965 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.808 -4.229 15.915 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.592 -4.760 14.244 1.00 2.06 H new ATOM 0 HH21 ARG B 39 162.503 -3.107 13.822 1.00 2.18 H new ATOM 0 HH22 ARG B 39 163.731 -4.128 13.067 1.00 2.18 H new ATOM 1401 N VAL B 40 164.209 1.162 21.322 1.00 0.43 N ATOM 1402 CA VAL B 40 164.799 1.165 22.660 1.00 0.56 C ATOM 1403 C VAL B 40 163.695 1.153 23.722 1.00 0.71 C ATOM 1404 O VAL B 40 163.432 2.166 24.376 1.00 1.15 O ATOM 1405 CB VAL B 40 165.714 2.397 22.885 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.338 2.360 24.274 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.796 2.476 21.817 1.00 0.65 C ATOM 0 H VAL B 40 163.277 1.575 21.280 1.00 0.43 H new ATOM 0 HA VAL B 40 165.411 0.267 22.748 1.00 0.56 H new ATOM 0 HB VAL B 40 165.095 3.291 22.809 1.00 0.60 H new ATOM 0 HG11 VAL B 40 166.976 3.234 24.410 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.550 2.365 25.027 1.00 1.04 H new ATOM 0 HG13 VAL B 40 166.935 1.455 24.380 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.423 3.349 21.998 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.409 1.575 21.852 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.332 2.561 20.834 1.00 0.65 H new ATOM 1417 N MET B 41 163.041 0.002 23.876 1.00 0.60 N ATOM 1418 CA MET B 41 161.954 -0.142 24.844 1.00 0.74 C ATOM 1419 C MET B 41 162.245 -1.270 25.833 1.00 0.91 C ATOM 1420 O MET B 41 162.515 -2.404 25.380 1.00 0.91 O ATOM 1421 CB MET B 41 160.627 -0.403 24.122 1.00 0.73 C ATOM 1422 CG MET B 41 160.385 0.515 22.932 1.00 0.74 C ATOM 1423 SD MET B 41 158.882 0.101 22.025 1.00 0.86 S ATOM 1424 CE MET B 41 159.298 0.699 20.389 1.00 0.70 C ATOM 1425 OXT MET B 41 162.201 -1.010 27.054 1.00 1.13 O ATOM 0 H MET B 41 163.245 -0.844 23.343 1.00 0.60 H new ATOM 0 HA MET B 41 161.876 0.790 25.403 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.607 -1.438 23.781 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.808 -0.286 24.832 1.00 0.73 H new ATOM 0 HG2 MET B 41 160.321 1.546 23.281 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.239 0.459 22.256 1.00 0.74 H new ATOM 0 HE1 MET B 41 158.465 0.514 19.711 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.499 1.769 20.433 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.184 0.178 20.025 1.00 0.70 H new