USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=11 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= 0 X(o=0,f=-0.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-1.3) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.0435 X(o=0.044,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= 0 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 X(o=0,f=-0.12) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= -0.111 K(o=-0.11,f=-1.3) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.044 X(o=0.044,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.027 -18.403 -19.489 1.00 0.77 N ATOM 2 CA GLY A 1 130.796 -18.360 -18.649 1.00 0.81 C ATOM 3 C GLY A 1 130.631 -17.038 -17.921 1.00 0.65 C ATOM 4 O GLY A 1 130.188 -16.051 -18.511 1.00 0.70 O ATOM 0 H1 GLY A 1 132.091 -19.326 -19.964 1.00 0.77 H new ATOM 0 H2 GLY A 1 131.986 -17.648 -20.204 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.863 -18.264 -18.887 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.924 -18.534 -19.280 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.829 -19.170 -17.920 1.00 0.81 H new ATOM 10 N SER A 2 130.988 -17.022 -16.635 1.00 0.55 N ATOM 11 CA SER A 2 130.879 -15.813 -15.817 1.00 0.48 C ATOM 12 C SER A 2 132.230 -15.122 -15.640 1.00 0.47 C ATOM 13 O SER A 2 132.274 -13.965 -15.218 1.00 0.71 O ATOM 14 CB SER A 2 130.275 -16.146 -14.451 1.00 0.54 C ATOM 15 OG SER A 2 128.863 -16.026 -14.474 1.00 0.67 O ATOM 0 H SER A 2 131.355 -17.833 -16.138 1.00 0.55 H new ATOM 0 HA SER A 2 130.220 -15.122 -16.343 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.552 -17.161 -14.165 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.688 -15.478 -13.695 1.00 0.54 H new ATOM 0 HG SER A 2 128.502 -16.246 -13.590 1.00 0.67 H new ATOM 21 N LEU A 3 133.325 -15.811 -15.983 1.00 0.38 N ATOM 22 CA LEU A 3 134.660 -15.215 -15.878 1.00 0.43 C ATOM 23 C LEU A 3 134.874 -14.263 -17.057 1.00 0.53 C ATOM 24 O LEU A 3 135.722 -14.493 -17.923 1.00 0.88 O ATOM 25 CB LEU A 3 135.774 -16.285 -15.829 1.00 0.48 C ATOM 26 CG LEU A 3 135.380 -17.705 -16.258 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.580 -18.442 -16.836 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.795 -18.476 -15.080 1.00 1.42 C ATOM 0 H LEU A 3 133.313 -16.770 -16.331 1.00 0.38 H new ATOM 0 HA LEU A 3 134.718 -14.663 -14.940 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.595 -15.952 -16.464 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.158 -16.331 -14.810 1.00 0.48 H new ATOM 0 HG LEU A 3 134.618 -17.630 -17.033 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.281 -19.447 -17.134 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.955 -17.902 -17.705 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.365 -18.506 -16.083 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.521 -19.481 -15.403 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.536 -18.540 -14.283 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.909 -17.959 -14.711 1.00 1.42 H new ATOM 40 N THR A 4 134.070 -13.198 -17.080 1.00 0.41 N ATOM 41 CA THR A 4 134.113 -12.192 -18.135 1.00 0.49 C ATOM 42 C THR A 4 133.723 -10.825 -17.563 1.00 0.39 C ATOM 43 O THR A 4 133.846 -10.602 -16.361 1.00 0.39 O ATOM 44 CB THR A 4 133.172 -12.590 -19.285 1.00 0.65 C ATOM 45 OG1 THR A 4 131.829 -12.686 -18.833 1.00 0.64 O ATOM 46 CG2 THR A 4 133.533 -13.911 -19.935 1.00 0.80 C ATOM 0 H THR A 4 133.369 -13.011 -16.363 1.00 0.41 H new ATOM 0 HA THR A 4 135.127 -12.128 -18.530 1.00 0.49 H new ATOM 0 HB THR A 4 133.283 -11.799 -20.026 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.249 -12.938 -19.582 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.827 -14.127 -20.737 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.541 -13.851 -20.346 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.491 -14.706 -19.191 1.00 0.80 H new ATOM 54 N TYR A 5 133.299 -9.903 -18.429 1.00 0.48 N ATOM 55 CA TYR A 5 132.928 -8.542 -18.020 1.00 0.46 C ATOM 56 C TYR A 5 132.098 -8.483 -16.731 1.00 0.42 C ATOM 57 O TYR A 5 132.317 -7.595 -15.905 1.00 0.47 O ATOM 58 CB TYR A 5 132.168 -7.851 -19.155 1.00 0.59 C ATOM 59 CG TYR A 5 131.741 -6.431 -18.841 1.00 0.52 C ATOM 60 CD1 TYR A 5 132.649 -5.497 -18.353 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.426 -6.027 -19.035 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.256 -4.203 -18.068 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.027 -4.736 -18.753 1.00 0.90 C ATOM 64 CZ TYR A 5 130.945 -3.827 -18.270 1.00 0.65 C ATOM 65 OH TYR A 5 130.552 -2.538 -17.989 1.00 0.79 O ATOM 0 H TYR A 5 133.202 -10.075 -19.430 1.00 0.48 H new ATOM 0 HA TYR A 5 133.862 -8.022 -17.806 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.797 -7.841 -20.045 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.283 -8.440 -19.396 1.00 0.59 H new ATOM 0 HD1 TYR A 5 133.677 -5.788 -18.194 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.703 -6.735 -19.413 1.00 0.81 H new ATOM 0 HE1 TYR A 5 132.973 -3.490 -17.689 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.001 -4.439 -18.910 1.00 0.90 H new ATOM 0 HH TYR A 5 129.598 -2.436 -18.187 1.00 0.79 H new ATOM 75 N GLU A 6 131.150 -9.408 -16.547 1.00 0.48 N ATOM 76 CA GLU A 6 130.315 -9.408 -15.340 1.00 0.50 C ATOM 77 C GLU A 6 131.111 -9.822 -14.097 1.00 0.38 C ATOM 78 O GLU A 6 130.679 -9.575 -12.969 1.00 0.47 O ATOM 79 CB GLU A 6 129.112 -10.339 -15.525 1.00 0.60 C ATOM 80 CG GLU A 6 127.859 -9.621 -16.001 1.00 0.65 C ATOM 81 CD GLU A 6 126.623 -10.499 -15.944 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.952 -10.514 -14.891 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.324 -11.169 -16.955 1.00 1.16 O ATOM 0 H GLU A 6 130.943 -10.157 -17.208 1.00 0.48 H new ATOM 0 HA GLU A 6 129.963 -8.388 -15.186 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.371 -11.117 -16.244 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.899 -10.837 -14.579 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.698 -8.734 -15.388 1.00 0.65 H new ATOM 0 HG3 GLU A 6 128.009 -9.278 -17.025 1.00 0.65 H new ATOM 90 N GLU A 7 132.273 -10.445 -14.307 1.00 0.30 N ATOM 91 CA GLU A 7 133.124 -10.882 -13.202 1.00 0.29 C ATOM 92 C GLU A 7 133.928 -9.714 -12.637 1.00 0.28 C ATOM 93 O GLU A 7 134.006 -9.541 -11.419 1.00 0.46 O ATOM 94 CB GLU A 7 134.077 -11.991 -13.658 1.00 0.40 C ATOM 95 CG GLU A 7 134.348 -13.040 -12.590 1.00 0.56 C ATOM 96 CD GLU A 7 135.501 -12.660 -11.680 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.668 -12.825 -12.097 1.00 1.01 O ATOM 98 OE2 GLU A 7 135.237 -12.196 -10.550 1.00 0.81 O ATOM 0 H GLU A 7 132.645 -10.657 -15.233 1.00 0.30 H new ATOM 0 HA GLU A 7 132.474 -11.272 -12.418 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.657 -12.480 -14.537 1.00 0.40 H new ATOM 0 HB3 GLU A 7 135.023 -11.543 -13.963 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.449 -13.184 -11.991 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.567 -13.994 -13.070 1.00 0.56 H new ATOM 105 N VAL A 8 134.521 -8.909 -13.525 1.00 0.34 N ATOM 106 CA VAL A 8 135.313 -7.755 -13.108 1.00 0.36 C ATOM 107 C VAL A 8 134.417 -6.627 -12.589 1.00 0.28 C ATOM 108 O VAL A 8 134.791 -5.912 -11.658 1.00 0.39 O ATOM 109 CB VAL A 8 136.204 -7.234 -14.262 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.366 -6.663 -15.399 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.201 -6.204 -13.748 1.00 0.77 C ATOM 0 H VAL A 8 134.466 -9.038 -14.535 1.00 0.34 H new ATOM 0 HA VAL A 8 135.960 -8.087 -12.296 1.00 0.36 H new ATOM 0 HB VAL A 8 136.762 -8.081 -14.661 1.00 0.54 H new ATOM 0 HG11 VAL A 8 136.023 -6.306 -16.192 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.710 -7.439 -15.793 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.764 -5.834 -15.027 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.818 -5.850 -14.574 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.663 -5.363 -13.311 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.837 -6.660 -12.990 1.00 0.77 H new ATOM 121 N LEU A 9 133.237 -6.471 -13.200 1.00 0.36 N ATOM 122 CA LEU A 9 132.294 -5.429 -12.794 1.00 0.49 C ATOM 123 C LEU A 9 131.998 -5.516 -11.297 1.00 0.53 C ATOM 124 O LEU A 9 132.135 -4.525 -10.577 1.00 0.73 O ATOM 125 CB LEU A 9 130.988 -5.535 -13.592 1.00 0.66 C ATOM 126 CG LEU A 9 130.528 -4.235 -14.262 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.225 -4.453 -15.017 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.364 -3.128 -13.228 1.00 0.72 C ATOM 0 H LEU A 9 132.915 -7.052 -13.974 1.00 0.36 H new ATOM 0 HA LEU A 9 132.755 -4.464 -13.003 1.00 0.49 H new ATOM 0 HB2 LEU A 9 131.111 -6.298 -14.361 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.199 -5.880 -12.924 1.00 0.66 H new ATOM 0 HG LEU A 9 131.293 -3.930 -14.976 1.00 0.65 H new ATOM 0 HD11 LEU A 9 128.915 -3.519 -15.485 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.372 -5.213 -15.785 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.453 -4.784 -14.322 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.037 -2.213 -13.723 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.620 -3.427 -12.490 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.318 -2.950 -12.731 1.00 0.72 H new ATOM 140 N GLN A 10 131.589 -6.702 -10.830 1.00 0.42 N ATOM 141 CA GLN A 10 131.273 -6.911 -9.414 1.00 0.49 C ATOM 142 C GLN A 10 132.494 -6.685 -8.515 1.00 0.43 C ATOM 143 O GLN A 10 132.343 -6.415 -7.323 1.00 0.50 O ATOM 144 CB GLN A 10 130.722 -8.325 -9.194 1.00 0.60 C ATOM 145 CG GLN A 10 129.374 -8.566 -9.855 1.00 0.69 C ATOM 146 CD GLN A 10 128.227 -7.950 -9.077 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.788 -6.839 -9.374 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.734 -8.668 -8.072 1.00 0.84 N ATOM 0 H GLN A 10 131.470 -7.531 -11.413 1.00 0.42 H new ATOM 0 HA GLN A 10 130.515 -6.177 -9.140 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.440 -9.049 -9.579 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.629 -8.507 -8.123 1.00 0.60 H new ATOM 0 HG2 GLN A 10 129.388 -8.152 -10.863 1.00 0.69 H new ATOM 0 HG3 GLN A 10 129.208 -9.639 -9.953 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.127 -9.585 -7.859 1.00 0.84 H new ATOM 0 HE22 GLN A 10 126.963 -8.302 -7.514 1.00 0.84 H new ATOM 157 N GLU A 11 133.699 -6.776 -9.088 1.00 0.41 N ATOM 158 CA GLU A 11 134.928 -6.557 -8.325 1.00 0.44 C ATOM 159 C GLU A 11 135.145 -5.062 -8.074 1.00 0.40 C ATOM 160 O GLU A 11 135.790 -4.677 -7.098 1.00 0.56 O ATOM 161 CB GLU A 11 136.133 -7.148 -9.060 1.00 0.52 C ATOM 162 CG GLU A 11 136.170 -8.669 -9.050 1.00 0.63 C ATOM 163 CD GLU A 11 137.303 -9.228 -9.889 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.462 -9.186 -9.426 1.00 1.64 O ATOM 165 OE2 GLU A 11 137.031 -9.707 -11.011 1.00 1.54 O ATOM 0 H GLU A 11 133.847 -6.999 -10.072 1.00 0.41 H new ATOM 0 HA GLU A 11 134.826 -7.062 -7.364 1.00 0.44 H new ATOM 0 HB2 GLU A 11 136.123 -6.800 -10.093 1.00 0.52 H new ATOM 0 HB3 GLU A 11 137.047 -6.768 -8.604 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.275 -9.020 -8.023 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.221 -9.055 -9.423 1.00 0.63 H new ATOM 172 N LEU A 12 134.577 -4.225 -8.950 1.00 0.34 N ATOM 173 CA LEU A 12 134.683 -2.775 -8.811 1.00 0.34 C ATOM 174 C LEU A 12 133.773 -2.301 -7.679 1.00 0.31 C ATOM 175 O LEU A 12 134.206 -1.569 -6.788 1.00 0.39 O ATOM 176 CB LEU A 12 134.310 -2.074 -10.125 1.00 0.36 C ATOM 177 CG LEU A 12 135.236 -0.926 -10.546 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.279 0.153 -9.473 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.638 -1.446 -10.844 1.00 0.59 C ATOM 0 H LEU A 12 134.040 -4.531 -9.761 1.00 0.34 H new ATOM 0 HA LEU A 12 135.715 -2.519 -8.573 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.296 -2.817 -10.922 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.296 -1.685 -10.034 1.00 0.36 H new ATOM 0 HG LEU A 12 134.836 -0.483 -11.458 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.942 0.957 -9.792 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.276 0.550 -9.316 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.650 -0.275 -8.542 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.279 -0.616 -11.141 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.048 -1.920 -9.952 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.591 -2.175 -11.653 1.00 0.59 H new ATOM 191 N VAL A 13 132.512 -2.749 -7.712 1.00 0.26 N ATOM 192 CA VAL A 13 131.540 -2.395 -6.679 1.00 0.26 C ATOM 193 C VAL A 13 131.881 -3.069 -5.341 1.00 0.22 C ATOM 194 O VAL A 13 131.360 -2.682 -4.293 1.00 0.24 O ATOM 195 CB VAL A 13 130.100 -2.773 -7.100 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.895 -4.283 -7.070 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.082 -2.068 -6.215 1.00 0.53 C ATOM 0 H VAL A 13 132.144 -3.357 -8.444 1.00 0.26 H new ATOM 0 HA VAL A 13 131.591 -1.314 -6.553 1.00 0.26 H new ATOM 0 HB VAL A 13 129.950 -2.440 -8.127 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.874 -4.518 -7.371 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.594 -4.759 -7.758 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.070 -4.654 -6.060 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.075 -2.346 -6.526 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.236 -2.363 -5.177 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.205 -0.989 -6.307 1.00 0.53 H new ATOM 207 N LYS A 14 132.778 -4.061 -5.383 1.00 0.24 N ATOM 208 CA LYS A 14 133.208 -4.764 -4.180 1.00 0.23 C ATOM 209 C LYS A 14 134.285 -3.948 -3.470 1.00 0.21 C ATOM 210 O LYS A 14 134.164 -3.647 -2.282 1.00 0.28 O ATOM 211 CB LYS A 14 133.739 -6.158 -4.532 1.00 0.30 C ATOM 212 CG LYS A 14 134.097 -7.001 -3.318 1.00 0.84 C ATOM 213 CD LYS A 14 134.024 -8.489 -3.629 1.00 0.68 C ATOM 214 CE LYS A 14 133.358 -9.266 -2.503 1.00 0.73 C ATOM 215 NZ LYS A 14 133.115 -10.688 -2.875 1.00 0.75 N ATOM 0 H LYS A 14 133.218 -4.392 -6.242 1.00 0.24 H new ATOM 0 HA LYS A 14 132.353 -4.885 -3.515 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.988 -6.685 -5.120 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.622 -6.052 -5.163 1.00 0.30 H new ATOM 0 HG2 LYS A 14 135.102 -6.748 -2.982 1.00 0.84 H new ATOM 0 HG3 LYS A 14 133.418 -6.766 -2.498 1.00 0.84 H new ATOM 0 HD2 LYS A 14 133.468 -8.641 -4.554 1.00 0.68 H new ATOM 0 HD3 LYS A 14 135.029 -8.876 -3.794 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.987 -9.226 -1.614 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.411 -8.792 -2.246 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.660 -11.182 -2.081 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.494 -10.728 -3.708 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 134.021 -11.149 -3.096 1.00 0.75 H new ATOM 229 N HIS A 15 135.330 -3.582 -4.219 1.00 0.25 N ATOM 230 CA HIS A 15 136.426 -2.783 -3.679 1.00 0.27 C ATOM 231 C HIS A 15 135.891 -1.474 -3.104 1.00 0.23 C ATOM 232 O HIS A 15 136.006 -1.224 -1.905 1.00 0.43 O ATOM 233 CB HIS A 15 137.467 -2.488 -4.766 1.00 0.33 C ATOM 234 CG HIS A 15 138.442 -3.603 -4.988 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.271 -4.089 -4.000 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.723 -4.323 -6.100 1.00 0.72 C ATOM 237 CE1 HIS A 15 140.020 -5.059 -4.494 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.706 -5.220 -5.766 1.00 0.72 N ATOM 0 H HIS A 15 135.437 -3.829 -5.203 1.00 0.25 H new ATOM 0 HA HIS A 15 136.905 -3.353 -2.883 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.951 -2.277 -5.703 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.016 -1.586 -4.495 1.00 0.33 H new ATOM 0 HD2 HIS A 15 138.260 -4.212 -7.069 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.762 -5.624 -3.950 1.00 0.88 H new ATOM 0 HE2 HIS A 15 140.126 -5.901 -6.398 1.00 0.72 H new ATOM 247 N LYS A 16 135.327 -0.632 -3.977 1.00 0.21 N ATOM 248 CA LYS A 16 134.787 0.671 -3.583 1.00 0.25 C ATOM 249 C LYS A 16 133.962 0.613 -2.294 1.00 0.32 C ATOM 250 O LYS A 16 134.128 1.466 -1.421 1.00 0.62 O ATOM 251 CB LYS A 16 133.934 1.251 -4.715 1.00 0.37 C ATOM 252 CG LYS A 16 134.753 1.867 -5.840 1.00 0.50 C ATOM 253 CD LYS A 16 133.881 2.232 -7.032 1.00 0.57 C ATOM 254 CE LYS A 16 133.276 3.620 -6.880 1.00 0.59 C ATOM 255 NZ LYS A 16 131.789 3.596 -6.981 1.00 0.66 N ATOM 0 H LYS A 16 135.233 -0.835 -4.972 1.00 0.21 H new ATOM 0 HA LYS A 16 135.643 1.317 -3.387 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.304 0.462 -5.125 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.267 2.010 -4.305 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.262 2.759 -5.474 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.526 1.165 -6.155 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.476 2.192 -7.944 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.084 1.497 -7.139 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.567 4.039 -5.917 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.681 4.278 -7.649 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.418 4.561 -6.872 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.510 3.221 -7.910 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.400 2.989 -6.232 1.00 0.66 H new ATOM 269 N GLU A 17 133.070 -0.378 -2.168 1.00 0.32 N ATOM 270 CA GLU A 17 132.235 -0.507 -0.971 1.00 0.39 C ATOM 271 C GLU A 17 133.056 -0.958 0.238 1.00 0.32 C ATOM 272 O GLU A 17 132.812 -0.509 1.360 1.00 0.40 O ATOM 273 CB GLU A 17 131.092 -1.497 -1.231 1.00 0.51 C ATOM 274 CG GLU A 17 130.205 -1.750 -0.020 1.00 0.80 C ATOM 275 CD GLU A 17 130.499 -3.077 0.656 1.00 1.08 C ATOM 276 OE1 GLU A 17 129.987 -4.113 0.179 1.00 1.43 O ATOM 277 OE2 GLU A 17 131.239 -3.081 1.663 1.00 1.47 O ATOM 0 H GLU A 17 132.910 -1.096 -2.875 1.00 0.32 H new ATOM 0 HA GLU A 17 131.818 0.475 -0.745 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.476 -1.119 -2.047 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.515 -2.445 -1.563 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.341 -0.943 0.700 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.160 -1.728 -0.330 1.00 0.80 H new ATOM 284 N LEU A 18 134.042 -1.827 0.003 1.00 0.32 N ATOM 285 CA LEU A 18 134.908 -2.311 1.077 1.00 0.34 C ATOM 286 C LEU A 18 135.713 -1.151 1.656 1.00 0.33 C ATOM 287 O LEU A 18 135.888 -1.047 2.872 1.00 0.66 O ATOM 288 CB LEU A 18 135.850 -3.406 0.566 1.00 0.53 C ATOM 289 CG LEU A 18 135.395 -4.840 0.852 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.244 -5.834 0.073 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.459 -5.133 2.345 1.00 0.79 C ATOM 0 H LEU A 18 134.259 -2.208 -0.918 1.00 0.32 H new ATOM 0 HA LEU A 18 134.282 -2.739 1.860 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.970 -3.287 -0.511 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.832 -3.257 1.014 1.00 0.53 H new ATOM 0 HG LEU A 18 134.360 -4.945 0.527 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.907 -6.848 0.288 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.146 -5.638 -0.995 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.288 -5.729 0.367 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.132 -6.156 2.529 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.484 -5.011 2.696 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.807 -4.442 2.880 1.00 0.79 H new ATOM 303 N LEU A 19 136.179 -0.268 0.769 1.00 0.43 N ATOM 304 CA LEU A 19 136.944 0.908 1.172 1.00 0.44 C ATOM 305 C LEU A 19 136.052 1.891 1.933 1.00 0.30 C ATOM 306 O LEU A 19 136.513 2.576 2.848 1.00 0.45 O ATOM 307 CB LEU A 19 137.550 1.598 -0.058 1.00 0.57 C ATOM 308 CG LEU A 19 139.060 1.410 -0.236 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.438 1.482 -1.710 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.823 2.457 0.565 1.00 0.94 C ATOM 0 H LEU A 19 136.037 -0.349 -0.238 1.00 0.43 H new ATOM 0 HA LEU A 19 137.751 0.584 1.829 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.046 1.224 -0.949 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.338 2.665 0.003 1.00 0.57 H new ATOM 0 HG LEU A 19 139.332 0.423 0.139 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.514 1.346 -1.817 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.917 0.697 -2.258 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.153 2.455 -2.112 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.894 2.310 0.428 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.546 3.453 0.219 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.575 2.358 1.622 1.00 0.94 H new ATOM 322 N ARG A 20 134.771 1.957 1.544 1.00 0.32 N ATOM 323 CA ARG A 20 133.816 2.857 2.187 1.00 0.50 C ATOM 324 C ARG A 20 133.605 2.480 3.652 1.00 0.40 C ATOM 325 O ARG A 20 133.870 3.291 4.542 1.00 0.47 O ATOM 326 CB ARG A 20 132.478 2.850 1.442 1.00 0.78 C ATOM 327 CG ARG A 20 131.663 4.118 1.647 1.00 0.89 C ATOM 328 CD ARG A 20 130.772 4.410 0.450 1.00 0.98 C ATOM 329 NE ARG A 20 129.583 5.177 0.826 1.00 1.06 N ATOM 330 CZ ARG A 20 128.989 6.079 0.039 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.460 6.334 -1.180 1.00 1.74 N ATOM 332 NH2 ARG A 20 127.914 6.728 0.474 1.00 1.60 N ATOM 0 H ARG A 20 134.377 1.397 0.788 1.00 0.32 H new ATOM 0 HA ARG A 20 134.232 3.864 2.149 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.665 2.716 0.377 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.891 1.993 1.773 1.00 0.78 H new ATOM 0 HG2 ARG A 20 131.049 4.016 2.542 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.335 4.960 1.815 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.339 4.964 -0.298 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.467 3.471 -0.012 1.00 0.98 H new ATOM 0 HE ARG A 20 129.182 5.012 1.749 1.00 1.06 H new ATOM 0 HH11 ARG A 20 130.283 5.839 -1.523 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.998 7.025 -1.771 1.00 1.74 H new ATOM 0 HH21 ARG A 20 127.545 6.537 1.406 1.00 1.60 H new ATOM 0 HH22 ARG A 20 127.458 7.417 -0.124 1.00 1.60 H new ATOM 346 N ARG A 21 133.120 1.256 3.904 1.00 0.36 N ATOM 347 CA ARG A 21 132.870 0.785 5.269 1.00 0.37 C ATOM 348 C ARG A 21 134.077 1.005 6.177 1.00 0.35 C ATOM 349 O ARG A 21 133.919 1.381 7.337 1.00 0.49 O ATOM 350 CB ARG A 21 132.506 -0.703 5.258 1.00 0.47 C ATOM 351 CG ARG A 21 131.009 -0.970 5.253 1.00 0.71 C ATOM 352 CD ARG A 21 130.707 -2.451 5.080 1.00 0.94 C ATOM 353 NE ARG A 21 130.794 -3.182 6.345 1.00 0.95 N ATOM 354 CZ ARG A 21 131.891 -3.814 6.779 1.00 1.19 C ATOM 355 NH1 ARG A 21 133.008 -3.815 6.054 1.00 2.03 N ATOM 356 NH2 ARG A 21 131.868 -4.448 7.947 1.00 1.50 N ATOM 0 H ARG A 21 132.894 0.576 3.178 1.00 0.36 H new ATOM 0 HA ARG A 21 132.037 1.367 5.664 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.952 -1.170 4.379 1.00 0.47 H new ATOM 0 HB3 ARG A 21 132.948 -1.182 6.132 1.00 0.47 H new ATOM 0 HG2 ARG A 21 130.572 -0.615 6.186 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.540 -0.406 4.447 1.00 0.71 H new ATOM 0 HD2 ARG A 21 129.708 -2.570 4.661 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.407 -2.882 4.364 1.00 0.94 H new ATOM 0 HE ARG A 21 129.963 -3.212 6.935 1.00 0.95 H new ATOM 0 HH11 ARG A 21 133.034 -3.330 5.157 1.00 2.03 H new ATOM 0 HH12 ARG A 21 133.837 -4.300 6.396 1.00 2.03 H new ATOM 0 HH21 ARG A 21 131.017 -4.452 8.509 1.00 1.50 H new ATOM 0 HH22 ARG A 21 132.702 -4.931 8.282 1.00 1.50 H new ATOM 370 N LYS A 22 135.279 0.762 5.648 1.00 0.33 N ATOM 371 CA LYS A 22 136.508 0.935 6.422 1.00 0.41 C ATOM 372 C LYS A 22 136.560 2.323 7.058 1.00 0.34 C ATOM 373 O LYS A 22 136.800 2.453 8.260 1.00 0.36 O ATOM 374 CB LYS A 22 137.738 0.716 5.536 1.00 0.56 C ATOM 375 CG LYS A 22 138.775 -0.207 6.154 1.00 0.77 C ATOM 376 CD LYS A 22 139.916 -0.495 5.190 1.00 0.95 C ATOM 377 CE LYS A 22 140.950 0.622 5.195 1.00 0.76 C ATOM 378 NZ LYS A 22 142.313 0.118 5.521 1.00 0.71 N ATOM 0 H LYS A 22 135.426 0.446 4.689 1.00 0.33 H new ATOM 0 HA LYS A 22 136.512 0.190 7.218 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.418 0.301 4.580 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.201 1.680 5.326 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.171 0.247 7.062 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.300 -1.144 6.447 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.395 -1.436 5.463 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.519 -0.620 4.183 1.00 0.95 H new ATOM 0 HE2 LYS A 22 140.966 1.106 4.218 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.661 1.381 5.922 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.987 0.910 5.514 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.305 -0.321 6.464 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.601 -0.588 4.813 1.00 0.71 H new ATOM 392 N ASP A 23 136.335 3.356 6.242 1.00 0.34 N ATOM 393 CA ASP A 23 136.354 4.739 6.716 1.00 0.32 C ATOM 394 C ASP A 23 135.181 5.042 7.653 1.00 0.29 C ATOM 395 O ASP A 23 135.236 6.008 8.418 1.00 0.34 O ATOM 396 CB ASP A 23 136.327 5.708 5.531 1.00 0.37 C ATOM 397 CG ASP A 23 137.529 6.632 5.516 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.494 7.661 6.222 1.00 1.15 O ATOM 399 OD2 ASP A 23 138.505 6.323 4.801 1.00 1.17 O ATOM 0 H ASP A 23 136.137 3.258 5.246 1.00 0.34 H new ATOM 0 HA ASP A 23 137.277 4.872 7.280 1.00 0.32 H new ATOM 0 HB2 ASP A 23 136.296 5.140 4.601 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.415 6.303 5.572 1.00 0.37 H new ATOM 404 N THR A 24 134.130 4.217 7.613 1.00 0.27 N ATOM 405 CA THR A 24 132.968 4.407 8.479 1.00 0.28 C ATOM 406 C THR A 24 133.143 3.647 9.799 1.00 0.27 C ATOM 407 O THR A 24 132.597 4.048 10.828 1.00 0.32 O ATOM 408 CB THR A 24 131.692 3.955 7.751 1.00 0.31 C ATOM 409 OG1 THR A 24 131.207 4.992 6.912 1.00 0.52 O ATOM 410 CG2 THR A 24 130.559 3.548 8.678 1.00 0.53 C ATOM 0 H THR A 24 134.062 3.412 6.990 1.00 0.27 H new ATOM 0 HA THR A 24 132.877 5.467 8.715 1.00 0.28 H new ATOM 0 HB THR A 24 131.991 3.076 7.179 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.395 4.689 6.454 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.696 3.243 8.086 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.882 2.716 9.304 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.285 4.393 9.310 1.00 0.53 H new ATOM 418 N HIS A 25 133.921 2.558 9.767 1.00 0.27 N ATOM 419 CA HIS A 25 134.183 1.760 10.964 1.00 0.31 C ATOM 420 C HIS A 25 135.153 2.500 11.882 1.00 0.33 C ATOM 421 O HIS A 25 134.978 2.514 13.101 1.00 0.43 O ATOM 422 CB HIS A 25 134.753 0.388 10.590 1.00 0.37 C ATOM 423 CG HIS A 25 134.213 -0.729 11.428 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.466 -0.846 12.779 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.424 -1.782 11.104 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.858 -1.921 13.249 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.219 -2.506 12.253 1.00 0.75 N ATOM 0 H HIS A 25 134.379 2.212 8.924 1.00 0.27 H new ATOM 0 HA HIS A 25 133.240 1.607 11.489 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.533 0.185 9.542 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.838 0.415 10.689 1.00 0.37 H new ATOM 0 HD2 HIS A 25 133.030 -2.010 10.125 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.880 -2.263 14.273 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.663 -3.358 12.325 1.00 0.75 H new ATOM 436 N ILE A 26 136.163 3.136 11.277 1.00 0.31 N ATOM 437 CA ILE A 26 137.151 3.911 12.027 1.00 0.35 C ATOM 438 C ILE A 26 136.507 5.166 12.634 1.00 0.34 C ATOM 439 O ILE A 26 137.031 5.744 13.587 1.00 0.46 O ATOM 440 CB ILE A 26 138.351 4.320 11.140 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.888 5.179 9.958 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.092 3.083 10.645 1.00 0.56 C ATOM 443 CD1 ILE A 26 139.027 5.819 9.193 1.00 0.68 C ATOM 0 H ILE A 26 136.315 3.127 10.268 1.00 0.31 H new ATOM 0 HA ILE A 26 137.521 3.271 12.828 1.00 0.35 H new ATOM 0 HB ILE A 26 139.035 4.916 11.744 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.305 4.560 9.276 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.223 5.961 10.326 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.933 3.388 10.022 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.460 2.513 11.498 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.414 2.462 10.060 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.626 6.412 8.371 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.597 6.465 9.861 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.680 5.042 8.795 1.00 0.68 H new ATOM 455 N ARG A 27 135.352 5.562 12.083 1.00 0.29 N ATOM 456 CA ARG A 27 134.609 6.722 12.569 1.00 0.35 C ATOM 457 C ARG A 27 133.613 6.292 13.651 1.00 0.34 C ATOM 458 O ARG A 27 133.400 7.006 14.633 1.00 0.39 O ATOM 459 CB ARG A 27 133.875 7.398 11.405 1.00 0.44 C ATOM 460 CG ARG A 27 132.785 8.369 11.835 1.00 0.52 C ATOM 461 CD ARG A 27 131.416 7.703 11.848 1.00 0.81 C ATOM 462 NE ARG A 27 130.546 8.253 12.890 1.00 0.91 N ATOM 463 CZ ARG A 27 129.670 9.246 12.694 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.545 9.817 11.497 1.00 1.19 N ATOM 465 NH2 ARG A 27 128.917 9.671 13.703 1.00 1.68 N ATOM 0 H ARG A 27 134.913 5.088 11.294 1.00 0.29 H new ATOM 0 HA ARG A 27 135.308 7.436 13.004 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.602 7.933 10.793 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.432 6.628 10.773 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.012 8.755 12.829 1.00 0.52 H new ATOM 0 HG3 ARG A 27 132.769 9.223 11.157 1.00 0.52 H new ATOM 0 HD2 ARG A 27 130.942 7.831 10.875 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.536 6.631 12.005 1.00 0.81 H new ATOM 0 HE ARG A 27 130.612 7.853 13.826 1.00 0.91 H new ATOM 0 HH11 ARG A 27 130.120 9.498 10.717 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.874 10.573 11.360 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.008 9.241 14.623 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.249 10.427 13.557 1.00 1.68 H new ATOM 479 N GLU A 28 133.020 5.109 13.462 1.00 0.33 N ATOM 480 CA GLU A 28 132.060 4.556 14.416 1.00 0.38 C ATOM 481 C GLU A 28 132.761 4.251 15.738 1.00 0.37 C ATOM 482 O GLU A 28 132.292 4.653 16.804 1.00 0.47 O ATOM 483 CB GLU A 28 131.415 3.287 13.832 1.00 0.48 C ATOM 484 CG GLU A 28 131.145 2.191 14.855 1.00 0.81 C ATOM 485 CD GLU A 28 130.665 0.899 14.223 1.00 1.22 C ATOM 486 OE1 GLU A 28 131.455 0.267 13.487 1.00 1.66 O ATOM 487 OE2 GLU A 28 129.502 0.514 14.467 1.00 1.85 O ATOM 0 H GLU A 28 133.191 4.515 12.651 1.00 0.33 H new ATOM 0 HA GLU A 28 131.273 5.286 14.604 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.475 3.560 13.353 1.00 0.48 H new ATOM 0 HB3 GLU A 28 132.066 2.888 13.054 1.00 0.48 H new ATOM 0 HG2 GLU A 28 132.056 1.996 15.420 1.00 0.81 H new ATOM 0 HG3 GLU A 28 130.397 2.541 15.566 1.00 0.81 H new ATOM 494 N LEU A 29 133.899 3.555 15.651 1.00 0.34 N ATOM 495 CA LEU A 29 134.689 3.211 16.832 1.00 0.38 C ATOM 496 C LEU A 29 135.260 4.469 17.490 1.00 0.42 C ATOM 497 O LEU A 29 135.669 4.436 18.650 1.00 0.80 O ATOM 498 CB LEU A 29 135.828 2.260 16.455 1.00 0.48 C ATOM 499 CG LEU A 29 135.711 0.847 17.031 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.822 -0.022 16.150 1.00 0.84 C ATOM 501 CD2 LEU A 29 137.093 0.227 17.187 1.00 0.58 C ATOM 0 H LEU A 29 134.292 3.219 14.772 1.00 0.34 H new ATOM 0 HA LEU A 29 134.031 2.713 17.544 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.877 2.190 15.368 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.770 2.695 16.789 1.00 0.48 H new ATOM 0 HG LEU A 29 135.248 0.910 18.016 1.00 0.49 H new ATOM 0 HD11 LEU A 29 134.752 -1.022 16.578 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.826 0.418 16.092 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.250 -0.084 15.150 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.997 -0.778 17.598 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.581 0.176 16.214 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.692 0.839 17.862 1.00 0.58 H new ATOM 513 N GLU A 30 135.246 5.587 16.756 1.00 0.42 N ATOM 514 CA GLU A 30 135.724 6.855 17.291 1.00 0.46 C ATOM 515 C GLU A 30 134.723 7.340 18.337 1.00 0.46 C ATOM 516 O GLU A 30 135.072 7.524 19.505 1.00 0.61 O ATOM 517 CB GLU A 30 135.905 7.887 16.168 1.00 0.51 C ATOM 518 CG GLU A 30 137.206 8.675 16.259 1.00 0.57 C ATOM 519 CD GLU A 30 137.403 9.338 17.610 1.00 0.91 C ATOM 520 OE1 GLU A 30 136.779 10.392 17.852 1.00 1.24 O ATOM 521 OE2 GLU A 30 138.184 8.803 18.426 1.00 1.33 O ATOM 0 H GLU A 30 134.909 5.634 15.794 1.00 0.42 H new ATOM 0 HA GLU A 30 136.700 6.721 17.757 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.869 7.374 15.207 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.067 8.584 16.189 1.00 0.51 H new ATOM 0 HG2 GLU A 30 138.044 8.006 16.063 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.218 9.438 15.481 1.00 0.57 H new ATOM 528 N ASP A 31 133.470 7.519 17.904 1.00 0.43 N ATOM 529 CA ASP A 31 132.389 7.949 18.792 1.00 0.58 C ATOM 530 C ASP A 31 132.229 6.975 19.966 1.00 0.59 C ATOM 531 O ASP A 31 131.791 7.362 21.052 1.00 0.78 O ATOM 532 CB ASP A 31 131.076 8.046 18.009 1.00 0.71 C ATOM 533 CG ASP A 31 130.993 9.308 17.174 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.613 10.364 17.725 1.00 1.65 O ATOM 535 OD2 ASP A 31 131.311 9.243 15.967 1.00 1.73 O ATOM 0 H ASP A 31 133.180 7.371 16.937 1.00 0.43 H new ATOM 0 HA ASP A 31 132.642 8.931 19.192 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.979 7.176 17.359 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.238 8.019 18.705 1.00 0.71 H new ATOM 540 N TYR A 32 132.607 5.712 19.742 1.00 0.51 N ATOM 541 CA TYR A 32 132.527 4.687 20.782 1.00 0.56 C ATOM 542 C TYR A 32 133.553 4.964 21.882 1.00 0.55 C ATOM 543 O TYR A 32 133.238 4.878 23.069 1.00 0.64 O ATOM 544 CB TYR A 32 132.754 3.296 20.182 1.00 0.61 C ATOM 545 CG TYR A 32 131.471 2.576 19.830 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.581 2.181 20.821 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.149 2.294 18.509 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.407 1.525 20.505 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.977 1.640 18.185 1.00 1.19 C ATOM 550 CZ TYR A 32 129.110 1.258 19.186 1.00 1.23 C ATOM 551 OH TYR A 32 127.942 0.604 18.866 1.00 1.55 O ATOM 0 H TYR A 32 132.971 5.378 18.850 1.00 0.51 H new ATOM 0 HA TYR A 32 131.529 4.717 21.220 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.366 3.391 19.285 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.319 2.691 20.891 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.811 2.390 21.855 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.826 2.591 17.722 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.726 1.223 21.287 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.741 1.429 17.153 1.00 1.19 H new ATOM 0 HH TYR A 32 127.884 0.495 17.894 1.00 1.55 H new ATOM 561 N ILE A 33 134.779 5.316 21.474 1.00 0.53 N ATOM 562 CA ILE A 33 135.854 5.630 22.419 1.00 0.62 C ATOM 563 C ILE A 33 135.720 7.059 22.966 1.00 0.58 C ATOM 564 O ILE A 33 136.471 7.461 23.857 1.00 0.77 O ATOM 565 CB ILE A 33 137.249 5.465 21.770 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.366 4.094 21.098 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.349 5.641 22.810 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.330 4.065 19.931 1.00 0.85 C ATOM 0 H ILE A 33 135.050 5.390 20.493 1.00 0.53 H new ATOM 0 HA ILE A 33 135.760 4.922 23.242 1.00 0.62 H new ATOM 0 HB ILE A 33 137.367 6.237 21.010 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.686 3.362 21.840 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.380 3.785 20.750 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.322 5.521 22.334 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.279 6.637 23.248 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.233 4.891 23.593 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.359 3.061 19.507 1.00 0.85 H new ATOM 0 HD12 ILE A 33 138.000 4.771 19.169 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.326 4.342 20.275 1.00 0.85 H new ATOM 580 N ASP A 34 134.753 7.819 22.441 1.00 0.49 N ATOM 581 CA ASP A 34 134.524 9.188 22.891 1.00 0.54 C ATOM 582 C ASP A 34 133.957 9.201 24.309 1.00 0.44 C ATOM 583 O ASP A 34 134.228 10.114 25.077 1.00 0.47 O ATOM 584 CB ASP A 34 133.571 9.914 21.937 1.00 0.75 C ATOM 585 CG ASP A 34 134.301 10.844 20.988 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.600 11.989 21.388 1.00 1.42 O ATOM 587 OD2 ASP A 34 134.574 10.428 19.844 1.00 1.49 O ATOM 0 H ASP A 34 134.119 7.506 21.705 1.00 0.49 H new ATOM 0 HA ASP A 34 135.481 9.709 22.894 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.009 9.179 21.361 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.847 10.486 22.517 1.00 0.75 H new ATOM 592 N ASN A 35 133.177 8.170 24.646 1.00 0.53 N ATOM 593 CA ASN A 35 132.572 8.047 25.976 1.00 0.57 C ATOM 594 C ASN A 35 133.574 8.407 27.075 1.00 0.47 C ATOM 595 O ASN A 35 133.214 9.045 28.065 1.00 0.58 O ATOM 596 CB ASN A 35 132.044 6.627 26.195 1.00 0.74 C ATOM 597 CG ASN A 35 130.634 6.450 25.663 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.658 6.639 26.389 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.520 6.086 24.389 1.00 1.32 N ATOM 0 H ASN A 35 132.949 7.404 24.012 1.00 0.53 H new ATOM 0 HA ASN A 35 131.739 8.748 26.029 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.707 5.915 25.704 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.060 6.396 27.260 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.596 5.953 23.977 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.356 5.940 23.823 1.00 1.32 H new ATOM 606 N LEU A 36 134.835 8.009 26.883 1.00 0.42 N ATOM 607 CA LEU A 36 135.893 8.306 27.847 1.00 0.47 C ATOM 608 C LEU A 36 136.168 9.810 27.893 1.00 0.42 C ATOM 609 O LEU A 36 136.249 10.402 28.971 1.00 0.53 O ATOM 610 CB LEU A 36 137.181 7.554 27.488 1.00 0.66 C ATOM 611 CG LEU A 36 137.002 6.084 27.091 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.313 5.512 26.576 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.487 5.266 28.268 1.00 1.66 C ATOM 0 H LEU A 36 135.146 7.480 26.068 1.00 0.42 H new ATOM 0 HA LEU A 36 135.556 7.976 28.830 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.668 8.077 26.665 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.858 7.601 28.341 1.00 0.66 H new ATOM 0 HG LEU A 36 136.263 6.032 26.292 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.170 4.468 26.298 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.639 6.078 25.704 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.071 5.579 27.357 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.367 4.226 27.964 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.200 5.324 29.091 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.525 5.662 28.593 1.00 1.66 H new ATOM 625 N LEU A 37 136.298 10.422 26.711 1.00 0.36 N ATOM 626 CA LEU A 37 136.551 11.858 26.603 1.00 0.40 C ATOM 627 C LEU A 37 135.425 12.552 25.823 1.00 0.32 C ATOM 628 O LEU A 37 135.658 13.172 24.783 1.00 0.42 O ATOM 629 CB LEU A 37 137.907 12.109 25.929 1.00 0.56 C ATOM 630 CG LEU A 37 138.121 11.381 24.597 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.786 12.302 23.583 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.950 10.120 24.804 1.00 0.63 C ATOM 0 H LEU A 37 136.231 9.941 25.814 1.00 0.36 H new ATOM 0 HA LEU A 37 136.577 12.280 27.608 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.018 13.180 25.761 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.697 11.811 26.618 1.00 0.56 H new ATOM 0 HG LEU A 37 137.147 11.089 24.205 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.929 11.767 22.644 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.152 13.172 23.411 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.753 12.627 23.966 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.092 9.617 23.848 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.921 10.387 25.221 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.431 9.452 25.492 1.00 0.63 H new ATOM 644 N VAL A 38 134.200 12.428 26.346 1.00 0.29 N ATOM 645 CA VAL A 38 133.005 13.023 25.737 1.00 0.41 C ATOM 646 C VAL A 38 131.898 13.180 26.788 1.00 0.38 C ATOM 647 O VAL A 38 132.099 12.840 27.957 1.00 0.61 O ATOM 648 CB VAL A 38 132.489 12.193 24.531 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.486 11.133 24.971 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.884 13.106 23.471 1.00 0.99 C ATOM 0 H VAL A 38 134.009 11.912 27.205 1.00 0.29 H new ATOM 0 HA VAL A 38 133.286 14.006 25.358 1.00 0.41 H new ATOM 0 HB VAL A 38 133.343 11.675 24.094 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.146 10.571 24.101 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.961 10.454 25.679 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.633 11.615 25.448 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.528 12.506 22.634 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.049 13.660 23.901 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.641 13.807 23.119 1.00 0.99 H new ATOM 660 N ARG A 39 130.728 13.672 26.374 1.00 0.44 N ATOM 661 CA ARG A 39 129.603 13.840 27.291 1.00 0.47 C ATOM 662 C ARG A 39 129.029 12.477 27.683 1.00 0.53 C ATOM 663 O ARG A 39 128.485 11.758 26.842 1.00 0.86 O ATOM 664 CB ARG A 39 128.515 14.709 26.646 1.00 0.59 C ATOM 665 CG ARG A 39 127.187 14.692 27.390 1.00 0.75 C ATOM 666 CD ARG A 39 127.292 15.387 28.738 1.00 0.97 C ATOM 667 NE ARG A 39 127.181 16.841 28.616 1.00 0.93 N ATOM 668 CZ ARG A 39 127.784 17.713 29.430 1.00 1.00 C ATOM 669 NH1 ARG A 39 128.540 17.289 30.440 1.00 1.27 N ATOM 670 NH2 ARG A 39 127.628 19.018 29.232 1.00 1.48 N ATOM 0 H ARG A 39 130.537 13.959 25.414 1.00 0.44 H new ATOM 0 HA ARG A 39 129.960 14.340 28.191 1.00 0.47 H new ATOM 0 HB2 ARG A 39 128.873 15.737 26.586 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.351 14.369 25.624 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.424 15.183 26.785 1.00 0.75 H new ATOM 0 HG3 ARG A 39 126.864 13.661 27.536 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.507 15.018 29.398 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.245 15.134 29.203 1.00 0.97 H new ATOM 0 HE ARG A 39 126.606 17.213 27.860 1.00 0.93 H new ATOM 0 HH11 ARG A 39 128.664 16.289 30.599 1.00 1.27 H new ATOM 0 HH12 ARG A 39 128.995 17.964 31.055 1.00 1.27 H new ATOM 0 HH21 ARG A 39 127.050 19.351 28.461 1.00 1.48 H new ATOM 0 HH22 ARG A 39 128.087 19.686 29.851 1.00 1.48 H new ATOM 684 N VAL A 40 129.156 12.127 28.963 1.00 0.46 N ATOM 685 CA VAL A 40 128.652 10.848 29.465 1.00 0.53 C ATOM 686 C VAL A 40 127.213 10.976 29.963 1.00 0.53 C ATOM 687 O VAL A 40 126.840 11.991 30.557 1.00 0.66 O ATOM 688 CB VAL A 40 129.535 10.284 30.602 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.862 9.782 30.053 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.762 11.327 31.690 1.00 0.78 C ATOM 0 H VAL A 40 129.603 12.710 29.671 1.00 0.46 H new ATOM 0 HA VAL A 40 128.683 10.154 28.625 1.00 0.53 H new ATOM 0 HB VAL A 40 129.008 9.442 31.050 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.468 9.389 30.869 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.679 8.992 29.324 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.391 10.604 29.571 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.386 10.903 32.476 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.260 12.197 31.262 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.803 11.628 32.111 1.00 0.78 H new ATOM 700 N MET A 41 126.411 9.939 29.717 1.00 0.53 N ATOM 701 CA MET A 41 125.011 9.927 30.138 1.00 0.60 C ATOM 702 C MET A 41 124.725 8.731 31.042 1.00 0.86 C ATOM 703 O MET A 41 123.892 8.808 31.946 1.00 1.20 O ATOM 704 CB MET A 41 124.083 9.897 28.918 1.00 0.75 C ATOM 705 CG MET A 41 124.325 8.717 27.986 1.00 0.56 C ATOM 706 SD MET A 41 122.878 8.309 26.991 1.00 0.67 S ATOM 707 CE MET A 41 122.915 9.627 25.779 1.00 0.54 C ATOM 0 H MET A 41 126.709 9.095 29.227 1.00 0.53 H new ATOM 0 HA MET A 41 124.822 10.840 30.702 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.049 9.870 29.261 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.208 10.823 28.356 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.162 8.946 27.326 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.613 7.847 28.576 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.078 9.511 25.090 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.838 10.589 26.285 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.852 9.584 25.223 1.00 0.54 H new TER 717 MET A 41 ATOM 718 N GLY B 1 134.907 4.207 -27.910 1.00 0.61 N ATOM 719 CA GLY B 1 136.376 3.957 -27.936 1.00 0.61 C ATOM 720 C GLY B 1 136.771 2.725 -27.141 1.00 0.52 C ATOM 721 O GLY B 1 136.460 1.600 -27.536 1.00 0.60 O ATOM 0 H1 GLY B 1 134.690 5.058 -28.467 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.409 3.390 -28.317 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.596 4.347 -26.928 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.703 3.839 -28.969 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.896 4.827 -27.535 1.00 0.61 H new ATOM 727 N SER B 2 137.455 2.942 -26.016 1.00 0.50 N ATOM 728 CA SER B 2 137.895 1.843 -25.153 1.00 0.49 C ATOM 729 C SER B 2 137.074 1.779 -23.866 1.00 0.47 C ATOM 730 O SER B 2 137.544 1.265 -22.849 1.00 0.63 O ATOM 731 CB SER B 2 139.383 1.991 -24.824 1.00 0.55 C ATOM 732 OG SER B 2 140.171 1.949 -26.001 1.00 0.67 O ATOM 0 H SER B 2 137.717 3.869 -25.681 1.00 0.50 H new ATOM 0 HA SER B 2 137.740 0.910 -25.695 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.552 2.933 -24.303 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.690 1.193 -24.148 1.00 0.55 H new ATOM 0 HG SER B 2 141.117 2.047 -25.765 1.00 0.67 H new ATOM 738 N LEU B 3 135.832 2.271 -23.921 1.00 0.48 N ATOM 739 CA LEU B 3 134.943 2.231 -22.767 1.00 0.55 C ATOM 740 C LEU B 3 134.264 0.863 -22.716 1.00 0.65 C ATOM 741 O LEU B 3 133.039 0.750 -22.814 1.00 1.02 O ATOM 742 CB LEU B 3 133.903 3.357 -22.847 1.00 0.62 C ATOM 743 CG LEU B 3 134.332 4.685 -22.217 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.381 5.373 -23.081 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.123 5.591 -22.012 1.00 0.76 C ATOM 0 H LEU B 3 135.425 2.699 -24.752 1.00 0.48 H new ATOM 0 HA LEU B 3 135.519 2.382 -21.854 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.660 3.532 -23.895 1.00 0.62 H new ATOM 0 HB3 LEU B 3 132.988 3.020 -22.359 1.00 0.62 H new ATOM 0 HG LEU B 3 134.776 4.479 -21.243 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.674 6.315 -22.617 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.255 4.728 -23.175 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.966 5.569 -24.070 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.445 6.531 -21.563 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.651 5.791 -22.974 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.408 5.100 -21.352 1.00 0.76 H new ATOM 757 N THR B 4 135.089 -0.177 -22.583 1.00 0.46 N ATOM 758 CA THR B 4 134.621 -1.556 -22.538 1.00 0.55 C ATOM 759 C THR B 4 135.475 -2.366 -21.555 1.00 0.42 C ATOM 760 O THR B 4 136.094 -1.795 -20.659 1.00 0.43 O ATOM 761 CB THR B 4 134.668 -2.168 -23.949 1.00 0.72 C ATOM 762 OG1 THR B 4 135.944 -1.985 -24.540 1.00 0.70 O ATOM 763 CG2 THR B 4 133.641 -1.575 -24.892 1.00 0.90 C ATOM 0 H THR B 4 136.102 -0.083 -22.504 1.00 0.46 H new ATOM 0 HA THR B 4 133.589 -1.579 -22.189 1.00 0.55 H new ATOM 0 HB THR B 4 134.447 -3.226 -23.808 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.950 -2.384 -25.435 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.727 -2.050 -25.869 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.641 -1.744 -24.494 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.815 -0.504 -24.993 1.00 0.90 H new ATOM 771 N TYR B 5 135.473 -3.691 -21.700 1.00 0.50 N ATOM 772 CA TYR B 5 136.219 -4.592 -20.810 1.00 0.45 C ATOM 773 C TYR B 5 137.628 -4.094 -20.457 1.00 0.41 C ATOM 774 O TYR B 5 138.057 -4.238 -19.311 1.00 0.46 O ATOM 775 CB TYR B 5 136.307 -5.982 -21.443 1.00 0.57 C ATOM 776 CG TYR B 5 137.055 -6.999 -20.606 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.742 -7.200 -19.266 1.00 0.69 C ATOM 778 CD2 TYR B 5 138.076 -7.760 -21.162 1.00 0.80 C ATOM 779 CE1 TYR B 5 137.427 -8.129 -18.506 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.764 -8.690 -20.408 1.00 0.92 C ATOM 781 CZ TYR B 5 138.436 -8.871 -19.081 1.00 0.67 C ATOM 782 OH TYR B 5 139.118 -9.799 -18.327 1.00 0.84 O ATOM 0 H TYR B 5 134.956 -4.173 -22.435 1.00 0.50 H new ATOM 0 HA TYR B 5 135.664 -4.626 -19.873 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.298 -6.350 -21.626 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.796 -5.897 -22.414 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.951 -6.621 -18.812 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.336 -7.622 -22.201 1.00 0.80 H new ATOM 0 HE1 TYR B 5 137.173 -8.273 -17.466 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.555 -9.273 -20.856 1.00 0.92 H new ATOM 0 HH TYR B 5 139.797 -10.237 -18.882 1.00 0.84 H new ATOM 792 N GLU B 6 138.353 -3.517 -21.421 1.00 0.49 N ATOM 793 CA GLU B 6 139.709 -3.023 -21.158 1.00 0.50 C ATOM 794 C GLU B 6 139.700 -1.771 -20.273 1.00 0.38 C ATOM 795 O GLU B 6 140.725 -1.411 -19.690 1.00 0.44 O ATOM 796 CB GLU B 6 140.432 -2.725 -22.475 1.00 0.62 C ATOM 797 CG GLU B 6 141.295 -3.876 -22.968 1.00 0.68 C ATOM 798 CD GLU B 6 142.189 -3.483 -24.129 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.324 -3.026 -23.877 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.756 -3.636 -25.290 1.00 1.14 O ATOM 0 H GLU B 6 138.029 -3.381 -22.379 1.00 0.49 H new ATOM 0 HA GLU B 6 140.242 -3.807 -20.621 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.693 -2.482 -23.239 1.00 0.62 H new ATOM 0 HB3 GLU B 6 141.058 -1.842 -22.345 1.00 0.62 H new ATOM 0 HG2 GLU B 6 141.912 -4.239 -22.146 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.652 -4.702 -23.273 1.00 0.68 H new ATOM 807 N GLU B 7 138.540 -1.119 -20.166 1.00 0.32 N ATOM 808 CA GLU B 7 138.402 0.081 -19.344 1.00 0.29 C ATOM 809 C GLU B 7 138.254 -0.282 -17.868 1.00 0.27 C ATOM 810 O GLU B 7 138.905 0.317 -17.010 1.00 0.43 O ATOM 811 CB GLU B 7 137.195 0.910 -19.795 1.00 0.43 C ATOM 812 CG GLU B 7 137.410 2.411 -19.679 1.00 0.57 C ATOM 813 CD GLU B 7 137.048 2.947 -18.306 1.00 0.72 C ATOM 814 OE1 GLU B 7 135.841 3.128 -18.037 1.00 1.00 O ATOM 815 OE2 GLU B 7 137.973 3.184 -17.499 1.00 0.80 O ATOM 0 H GLU B 7 137.683 -1.404 -20.640 1.00 0.32 H new ATOM 0 HA GLU B 7 139.308 0.675 -19.470 1.00 0.29 H new ATOM 0 HB2 GLU B 7 136.962 0.664 -20.831 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.328 0.628 -19.198 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.454 2.643 -19.892 1.00 0.57 H new ATOM 0 HG3 GLU B 7 136.810 2.920 -20.434 1.00 0.57 H new ATOM 822 N VAL B 8 137.401 -1.270 -17.576 1.00 0.35 N ATOM 823 CA VAL B 8 137.177 -1.712 -16.202 1.00 0.37 C ATOM 824 C VAL B 8 138.374 -2.505 -15.673 1.00 0.28 C ATOM 825 O VAL B 8 138.709 -2.414 -14.491 1.00 0.40 O ATOM 826 CB VAL B 8 135.887 -2.560 -16.083 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.017 -3.879 -16.834 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.533 -2.797 -14.621 1.00 0.78 C ATOM 0 H VAL B 8 136.857 -1.776 -18.274 1.00 0.35 H new ATOM 0 HA VAL B 8 137.057 -0.816 -15.594 1.00 0.37 H new ATOM 0 HB VAL B 8 135.075 -1.999 -16.545 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.094 -4.450 -16.730 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.203 -3.680 -17.889 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.847 -4.453 -16.421 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.624 -3.395 -14.559 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.349 -3.327 -14.130 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.372 -1.839 -14.126 1.00 0.78 H new ATOM 838 N LEU B 9 139.013 -3.284 -16.553 1.00 0.35 N ATOM 839 CA LEU B 9 140.172 -4.088 -16.169 1.00 0.49 C ATOM 840 C LEU B 9 141.244 -3.221 -15.505 1.00 0.52 C ATOM 841 O LEU B 9 141.696 -3.527 -14.401 1.00 0.74 O ATOM 842 CB LEU B 9 140.764 -4.809 -17.387 1.00 0.65 C ATOM 843 CG LEU B 9 140.967 -6.318 -17.216 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.564 -6.926 -18.477 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.858 -6.606 -16.014 1.00 0.76 C ATOM 0 H LEU B 9 138.746 -3.373 -17.533 1.00 0.35 H new ATOM 0 HA LEU B 9 139.833 -4.834 -15.450 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.109 -4.641 -18.242 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.725 -4.354 -17.627 1.00 0.65 H new ATOM 0 HG LEU B 9 139.993 -6.775 -17.042 1.00 0.65 H new ATOM 0 HD11 LEU B 9 141.700 -7.998 -18.335 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.892 -6.754 -19.317 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.528 -6.462 -18.683 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.990 -7.683 -15.909 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.829 -6.133 -16.160 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.392 -6.208 -15.112 1.00 0.76 H new ATOM 857 N GLN B 10 141.648 -2.139 -16.183 1.00 0.41 N ATOM 858 CA GLN B 10 142.667 -1.230 -15.654 1.00 0.48 C ATOM 859 C GLN B 10 142.221 -0.564 -14.347 1.00 0.42 C ATOM 860 O GLN B 10 143.057 -0.114 -13.563 1.00 0.48 O ATOM 861 CB GLN B 10 143.013 -0.154 -16.690 1.00 0.58 C ATOM 862 CG GLN B 10 143.696 -0.700 -17.935 1.00 0.66 C ATOM 863 CD GLN B 10 145.162 -1.013 -17.703 1.00 0.81 C ATOM 864 OE1 GLN B 10 145.527 -2.154 -17.419 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.013 0.002 -17.820 1.00 0.83 N ATOM 0 H GLN B 10 141.284 -1.874 -17.098 1.00 0.41 H new ATOM 0 HA GLN B 10 143.552 -1.829 -15.440 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.099 0.361 -16.984 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.662 0.589 -16.226 1.00 0.58 H new ATOM 0 HG2 GLN B 10 143.182 -1.604 -18.261 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.606 0.026 -18.743 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.668 0.932 -18.057 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.011 -0.150 -17.673 1.00 0.83 H new ATOM 874 N GLU B 11 140.907 -0.522 -14.102 1.00 0.40 N ATOM 875 CA GLU B 11 140.374 0.069 -12.874 1.00 0.42 C ATOM 876 C GLU B 11 140.573 -0.879 -11.687 1.00 0.37 C ATOM 877 O GLU B 11 140.662 -0.439 -10.540 1.00 0.54 O ATOM 878 CB GLU B 11 138.888 0.402 -13.035 1.00 0.48 C ATOM 879 CG GLU B 11 138.622 1.587 -13.951 1.00 0.62 C ATOM 880 CD GLU B 11 137.141 1.816 -14.189 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.470 2.352 -13.283 1.00 1.61 O ATOM 882 OE2 GLU B 11 136.653 1.458 -15.283 1.00 1.53 O ATOM 0 H GLU B 11 140.197 -0.889 -14.736 1.00 0.40 H new ATOM 0 HA GLU B 11 140.920 0.992 -12.680 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.369 -0.473 -13.427 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.463 0.611 -12.053 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.060 2.485 -13.515 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.119 1.422 -14.907 1.00 0.62 H new ATOM 889 N LEU B 12 140.675 -2.180 -11.981 1.00 0.32 N ATOM 890 CA LEU B 12 140.900 -3.189 -10.948 1.00 0.30 C ATOM 891 C LEU B 12 142.350 -3.122 -10.473 1.00 0.28 C ATOM 892 O LEU B 12 142.617 -3.054 -9.272 1.00 0.36 O ATOM 893 CB LEU B 12 140.574 -4.592 -11.477 1.00 0.32 C ATOM 894 CG LEU B 12 139.769 -5.484 -10.523 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.510 -5.675 -9.207 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.382 -4.900 -10.281 1.00 0.54 C ATOM 0 H LEU B 12 140.605 -2.556 -12.927 1.00 0.32 H new ATOM 0 HA LEU B 12 140.238 -2.984 -10.107 1.00 0.30 H new ATOM 0 HB2 LEU B 12 140.018 -4.490 -12.409 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.509 -5.097 -11.718 1.00 0.32 H new ATOM 0 HG LEU B 12 139.651 -6.461 -10.991 1.00 0.38 H new ATOM 0 HD11 LEU B 12 139.920 -6.311 -8.546 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.475 -6.145 -9.398 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.666 -4.706 -8.733 1.00 0.62 H new ATOM 0 HD21 LEU B 12 137.828 -5.548 -9.602 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.477 -3.908 -9.839 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.848 -4.826 -11.228 1.00 0.54 H new ATOM 908 N VAL B 13 143.283 -3.119 -11.432 1.00 0.25 N ATOM 909 CA VAL B 13 144.710 -3.033 -11.123 1.00 0.26 C ATOM 910 C VAL B 13 145.083 -1.642 -10.585 1.00 0.22 C ATOM 911 O VAL B 13 146.157 -1.460 -10.009 1.00 0.26 O ATOM 912 CB VAL B 13 145.579 -3.359 -12.360 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.524 -2.232 -13.385 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.016 -3.643 -11.944 1.00 0.52 C ATOM 0 H VAL B 13 143.073 -3.175 -12.428 1.00 0.25 H new ATOM 0 HA VAL B 13 144.910 -3.775 -10.350 1.00 0.26 H new ATOM 0 HB VAL B 13 145.173 -4.255 -12.830 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.145 -2.490 -14.243 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.494 -2.088 -13.712 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.894 -1.311 -12.934 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.612 -3.870 -12.828 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.429 -2.768 -11.443 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.036 -4.494 -11.264 1.00 0.52 H new ATOM 924 N LYS B 14 144.171 -0.676 -10.748 1.00 0.24 N ATOM 925 CA LYS B 14 144.386 0.678 -10.254 1.00 0.25 C ATOM 926 C LYS B 14 144.044 0.741 -8.769 1.00 0.22 C ATOM 927 O LYS B 14 144.859 1.174 -7.953 1.00 0.29 O ATOM 928 CB LYS B 14 143.537 1.680 -11.042 1.00 0.34 C ATOM 929 CG LYS B 14 143.797 3.131 -10.667 1.00 0.87 C ATOM 930 CD LYS B 14 143.444 4.074 -11.808 1.00 0.75 C ATOM 931 CE LYS B 14 144.494 5.161 -11.982 1.00 0.70 C ATOM 932 NZ LYS B 14 144.256 5.975 -13.208 1.00 0.72 N ATOM 0 H LYS B 14 143.277 -0.813 -11.220 1.00 0.24 H new ATOM 0 HA LYS B 14 145.435 0.943 -10.390 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.731 1.549 -12.107 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.483 1.456 -10.880 1.00 0.34 H new ATOM 0 HG2 LYS B 14 143.212 3.390 -9.785 1.00 0.87 H new ATOM 0 HG3 LYS B 14 144.847 3.257 -10.401 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.350 3.507 -12.734 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.474 4.532 -11.615 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.490 5.812 -11.108 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.483 4.705 -12.036 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.993 6.704 -13.289 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.285 5.358 -14.045 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.323 6.431 -13.146 1.00 0.72 H new ATOM 946 N HIS B 15 142.833 0.287 -8.429 1.00 0.24 N ATOM 947 CA HIS B 15 142.376 0.270 -7.042 1.00 0.27 C ATOM 948 C HIS B 15 143.340 -0.538 -6.177 1.00 0.25 C ATOM 949 O HIS B 15 143.963 0.002 -5.263 1.00 0.45 O ATOM 950 CB HIS B 15 140.966 -0.327 -6.945 1.00 0.33 C ATOM 951 CG HIS B 15 139.873 0.649 -7.251 1.00 0.47 C ATOM 952 ND1 HIS B 15 139.681 1.815 -6.540 1.00 0.85 N ATOM 953 CD2 HIS B 15 138.904 0.624 -8.197 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.641 2.463 -7.033 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.153 1.762 -8.040 1.00 0.76 N ATOM 0 H HIS B 15 142.153 -0.073 -9.099 1.00 0.24 H new ATOM 0 HA HIS B 15 142.347 1.298 -6.680 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.891 -1.170 -7.632 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.817 -0.721 -5.940 1.00 0.33 H new ATOM 0 HD1 HIS B 15 140.253 2.128 -5.756 1.00 0.85 H new ATOM 0 HD2 HIS B 15 138.751 -0.148 -8.937 1.00 0.74 H new ATOM 0 HE1 HIS B 15 138.255 3.406 -6.674 1.00 0.89 H new ATOM 964 N LYS B 16 143.440 -1.839 -6.462 1.00 0.21 N ATOM 965 CA LYS B 16 144.309 -2.750 -5.711 1.00 0.27 C ATOM 966 C LYS B 16 145.696 -2.162 -5.430 1.00 0.36 C ATOM 967 O LYS B 16 146.189 -2.265 -4.305 1.00 0.69 O ATOM 968 CB LYS B 16 144.454 -4.077 -6.462 1.00 0.35 C ATOM 969 CG LYS B 16 143.255 -5.000 -6.305 1.00 0.46 C ATOM 970 CD LYS B 16 143.349 -6.202 -7.233 1.00 0.49 C ATOM 971 CE LYS B 16 144.146 -7.336 -6.604 1.00 0.53 C ATOM 972 NZ LYS B 16 145.290 -7.756 -7.461 1.00 0.61 N ATOM 0 H LYS B 16 142.923 -2.290 -7.217 1.00 0.21 H new ATOM 0 HA LYS B 16 143.830 -2.913 -4.746 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.607 -3.871 -7.521 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.347 -4.591 -6.106 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.191 -5.341 -5.272 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.339 -4.447 -6.516 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.346 -6.553 -7.477 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.819 -5.903 -8.170 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.520 -7.020 -5.630 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.489 -8.189 -6.432 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.806 -8.530 -6.996 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 144.933 -8.082 -8.382 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.931 -6.950 -7.604 1.00 0.61 H new ATOM 986 N GLU B 17 146.331 -1.553 -6.439 1.00 0.30 N ATOM 987 CA GLU B 17 147.662 -0.967 -6.262 1.00 0.38 C ATOM 988 C GLU B 17 147.607 0.299 -5.404 1.00 0.32 C ATOM 989 O GLU B 17 148.508 0.549 -4.601 1.00 0.40 O ATOM 990 CB GLU B 17 148.285 -0.651 -7.627 1.00 0.51 C ATOM 991 CG GLU B 17 149.646 0.027 -7.544 1.00 0.80 C ATOM 992 CD GLU B 17 149.577 1.518 -7.816 1.00 1.10 C ATOM 993 OE1 GLU B 17 149.558 1.905 -9.004 1.00 1.47 O ATOM 994 OE2 GLU B 17 149.543 2.301 -6.842 1.00 1.49 O ATOM 0 H GLU B 17 145.947 -1.454 -7.379 1.00 0.30 H new ATOM 0 HA GLU B 17 148.283 -1.697 -5.743 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.386 -1.578 -8.192 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.604 -0.009 -8.186 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.069 -0.138 -6.553 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.323 -0.438 -8.261 1.00 0.80 H new ATOM 1001 N LEU B 18 146.535 1.081 -5.559 1.00 0.32 N ATOM 1002 CA LEU B 18 146.361 2.303 -4.775 1.00 0.34 C ATOM 1003 C LEU B 18 146.218 1.955 -3.294 1.00 0.35 C ATOM 1004 O LEU B 18 146.777 2.632 -2.429 1.00 0.66 O ATOM 1005 CB LEU B 18 145.135 3.087 -5.255 1.00 0.51 C ATOM 1006 CG LEU B 18 145.436 4.241 -6.215 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.151 4.767 -6.838 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.179 5.357 -5.492 1.00 0.75 C ATOM 0 H LEU B 18 145.779 0.890 -6.217 1.00 0.32 H new ATOM 0 HA LEU B 18 147.242 2.930 -4.911 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.451 2.395 -5.746 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.615 3.486 -4.384 1.00 0.51 H new ATOM 0 HG LEU B 18 146.075 3.866 -7.015 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.385 5.587 -7.517 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.660 3.966 -7.391 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.486 5.125 -6.052 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.385 6.169 -6.190 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.566 5.730 -4.672 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.119 4.972 -5.097 1.00 0.75 H new ATOM 1020 N LEU B 19 145.481 0.876 -3.021 1.00 0.45 N ATOM 1021 CA LEU B 19 145.274 0.401 -1.657 1.00 0.47 C ATOM 1022 C LEU B 19 146.582 -0.138 -1.074 1.00 0.33 C ATOM 1023 O LEU B 19 146.832 -0.012 0.126 1.00 0.45 O ATOM 1024 CB LEU B 19 144.200 -0.693 -1.629 1.00 0.63 C ATOM 1025 CG LEU B 19 142.846 -0.267 -1.053 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.721 -1.088 -1.669 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.845 -0.407 0.463 1.00 0.96 C ATOM 0 H LEU B 19 145.016 0.314 -3.734 1.00 0.45 H new ATOM 0 HA LEU B 19 144.938 1.241 -1.049 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.046 -1.054 -2.646 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.576 -1.533 -1.046 1.00 0.63 H new ATOM 0 HG LEU B 19 142.679 0.781 -1.301 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.767 -0.771 -1.248 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.709 -0.937 -2.748 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.881 -2.144 -1.452 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.876 -0.100 0.856 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.034 -1.446 0.733 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.625 0.225 0.887 1.00 0.96 H new ATOM 1039 N ARG B 20 147.413 -0.742 -1.934 1.00 0.35 N ATOM 1040 CA ARG B 20 148.692 -1.302 -1.505 1.00 0.49 C ATOM 1041 C ARG B 20 149.630 -0.209 -0.996 1.00 0.40 C ATOM 1042 O ARG B 20 150.045 -0.244 0.164 1.00 0.49 O ATOM 1043 CB ARG B 20 149.357 -2.075 -2.649 1.00 0.76 C ATOM 1044 CG ARG B 20 150.335 -3.139 -2.174 1.00 0.85 C ATOM 1045 CD ARG B 20 150.430 -4.292 -3.160 1.00 0.96 C ATOM 1046 NE ARG B 20 151.728 -4.966 -3.092 1.00 1.06 N ATOM 1047 CZ ARG B 20 151.910 -6.273 -3.305 1.00 1.13 C ATOM 1048 NH1 ARG B 20 150.882 -7.062 -3.610 1.00 1.68 N ATOM 1049 NH2 ARG B 20 153.130 -6.791 -3.216 1.00 1.59 N ATOM 0 H ARG B 20 147.219 -0.853 -2.929 1.00 0.35 H new ATOM 0 HA ARG B 20 148.492 -1.992 -0.685 1.00 0.49 H new ATOM 0 HB2 ARG B 20 148.584 -2.548 -3.255 1.00 0.76 H new ATOM 0 HB3 ARG B 20 149.883 -1.372 -3.295 1.00 0.76 H new ATOM 0 HG2 ARG B 20 151.321 -2.694 -2.038 1.00 0.85 H new ATOM 0 HG3 ARG B 20 150.019 -3.516 -1.201 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.637 -5.011 -2.955 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.268 -3.919 -4.171 1.00 0.96 H new ATOM 0 HE ARG B 20 152.547 -4.401 -2.867 1.00 1.06 H new ATOM 0 HH11 ARG B 20 149.943 -6.671 -3.683 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.033 -8.058 -3.770 1.00 1.68 H new ATOM 0 HH21 ARG B 20 153.923 -6.192 -2.986 1.00 1.59 H new ATOM 0 HH22 ARG B 20 153.274 -7.788 -3.378 1.00 1.59 H new ATOM 1063 N ARG B 21 149.971 0.757 -1.861 1.00 0.35 N ATOM 1064 CA ARG B 21 150.867 1.854 -1.488 1.00 0.35 C ATOM 1065 C ARG B 21 150.435 2.526 -0.187 1.00 0.34 C ATOM 1066 O ARG B 21 151.276 2.876 0.639 1.00 0.47 O ATOM 1067 CB ARG B 21 150.919 2.899 -2.607 1.00 0.45 C ATOM 1068 CG ARG B 21 152.087 2.719 -3.563 1.00 0.70 C ATOM 1069 CD ARG B 21 151.999 3.680 -4.740 1.00 0.98 C ATOM 1070 NE ARG B 21 152.525 5.006 -4.408 1.00 0.97 N ATOM 1071 CZ ARG B 21 151.779 6.026 -3.969 1.00 1.25 C ATOM 1072 NH1 ARG B 21 150.464 5.889 -3.805 1.00 2.12 N ATOM 1073 NH2 ARG B 21 152.354 7.192 -3.692 1.00 1.53 N ATOM 0 H ARG B 21 149.638 0.798 -2.824 1.00 0.35 H new ATOM 0 HA ARG B 21 151.857 1.425 -1.335 1.00 0.35 H new ATOM 0 HB2 ARG B 21 149.989 2.857 -3.173 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.977 3.892 -2.161 1.00 0.45 H new ATOM 0 HG2 ARG B 21 153.023 2.881 -3.029 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.103 1.693 -3.930 1.00 0.70 H new ATOM 0 HD2 ARG B 21 152.554 3.271 -5.584 1.00 0.98 H new ATOM 0 HD3 ARG B 21 150.960 3.771 -5.056 1.00 0.98 H new ATOM 0 HE ARG B 21 153.527 5.162 -4.519 1.00 0.97 H new ATOM 0 HH11 ARG B 21 150.014 4.998 -4.015 1.00 2.12 H new ATOM 0 HH12 ARG B 21 149.907 6.675 -3.470 1.00 2.12 H new ATOM 0 HH21 ARG B 21 153.360 7.306 -3.814 1.00 1.53 H new ATOM 0 HH22 ARG B 21 151.789 7.972 -3.357 1.00 1.53 H new ATOM 1087 N LYS B 22 149.123 2.710 -0.013 1.00 0.30 N ATOM 1088 CA LYS B 22 148.590 3.345 1.192 1.00 0.36 C ATOM 1089 C LYS B 22 149.125 2.663 2.451 1.00 0.31 C ATOM 1090 O LYS B 22 149.628 3.328 3.359 1.00 0.36 O ATOM 1091 CB LYS B 22 147.059 3.309 1.187 1.00 0.47 C ATOM 1092 CG LYS B 22 146.419 4.647 1.522 1.00 0.69 C ATOM 1093 CD LYS B 22 144.905 4.595 1.383 1.00 0.86 C ATOM 1094 CE LYS B 22 144.247 4.003 2.621 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.245 4.930 3.217 1.00 0.70 N ATOM 0 H LYS B 22 148.414 2.429 -0.690 1.00 0.30 H new ATOM 0 HA LYS B 22 148.918 4.384 1.196 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.714 2.986 0.204 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.719 2.563 1.905 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.682 4.931 2.541 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.819 5.417 0.863 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.520 5.600 1.212 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.640 3.999 0.510 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.761 3.063 2.359 1.00 0.70 H new ATOM 0 HE3 LYS B 22 145.012 3.770 3.362 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.821 4.489 4.058 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.713 5.817 3.491 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.501 5.132 2.519 1.00 0.70 H new ATOM 1109 N ASP B 23 149.014 1.333 2.494 1.00 0.32 N ATOM 1110 CA ASP B 23 149.486 0.551 3.637 1.00 0.32 C ATOM 1111 C ASP B 23 151.015 0.570 3.755 1.00 0.30 C ATOM 1112 O ASP B 23 151.554 0.289 4.827 1.00 0.37 O ATOM 1113 CB ASP B 23 148.995 -0.895 3.530 1.00 0.36 C ATOM 1114 CG ASP B 23 148.158 -1.307 4.726 1.00 0.75 C ATOM 1115 OD1 ASP B 23 148.747 -1.695 5.756 1.00 1.11 O ATOM 1116 OD2 ASP B 23 146.915 -1.239 4.632 1.00 1.15 O ATOM 0 H ASP B 23 148.600 0.775 1.748 1.00 0.32 H new ATOM 0 HA ASP B 23 149.076 1.012 4.535 1.00 0.32 H new ATOM 0 HB2 ASP B 23 148.406 -1.010 2.620 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.852 -1.562 3.442 1.00 0.36 H new ATOM 1121 N THR B 24 151.711 0.911 2.666 1.00 0.28 N ATOM 1122 CA THR B 24 153.172 0.974 2.674 1.00 0.29 C ATOM 1123 C THR B 24 153.656 2.379 3.063 1.00 0.27 C ATOM 1124 O THR B 24 154.741 2.532 3.624 1.00 0.32 O ATOM 1125 CB THR B 24 153.724 0.568 1.299 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.809 -0.844 1.198 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.100 1.134 0.992 1.00 0.55 C ATOM 0 H THR B 24 151.285 1.147 1.770 1.00 0.28 H new ATOM 0 HA THR B 24 153.546 0.274 3.421 1.00 0.29 H new ATOM 0 HB THR B 24 153.021 0.984 0.578 1.00 0.32 H new ATOM 0 HG1 THR B 24 154.161 -1.088 0.316 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.418 0.801 0.004 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.058 2.223 1.012 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.812 0.784 1.739 1.00 0.55 H new ATOM 1135 N HIS B 25 152.830 3.394 2.783 1.00 0.26 N ATOM 1136 CA HIS B 25 153.163 4.776 3.125 1.00 0.29 C ATOM 1137 C HIS B 25 153.012 4.992 4.629 1.00 0.31 C ATOM 1138 O HIS B 25 153.842 5.650 5.257 1.00 0.41 O ATOM 1139 CB HIS B 25 152.273 5.757 2.359 1.00 0.34 C ATOM 1140 CG HIS B 25 153.005 6.970 1.873 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.543 7.915 2.722 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.295 7.388 0.617 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.129 8.861 2.010 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.994 8.565 0.731 1.00 0.74 N ATOM 0 H HIS B 25 151.928 3.281 2.321 1.00 0.26 H new ATOM 0 HA HIS B 25 154.198 4.961 2.839 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.829 5.244 1.506 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.452 6.071 3.004 1.00 0.34 H new ATOM 0 HD2 HIS B 25 153.027 6.889 -0.302 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.633 9.730 2.407 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.351 9.120 -0.047 1.00 0.74 H new ATOM 1153 N ILE B 26 151.954 4.406 5.203 1.00 0.29 N ATOM 1154 CA ILE B 26 151.699 4.502 6.640 1.00 0.35 C ATOM 1155 C ILE B 26 152.760 3.724 7.432 1.00 0.35 C ATOM 1156 O ILE B 26 152.964 3.972 8.622 1.00 0.47 O ATOM 1157 CB ILE B 26 150.291 3.975 7.008 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.137 2.503 6.606 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.215 4.827 6.344 1.00 0.54 C ATOM 1160 CD1 ILE B 26 148.885 1.855 7.156 1.00 0.68 C ATOM 0 H ILE B 26 151.261 3.860 4.691 1.00 0.29 H new ATOM 0 HA ILE B 26 151.750 5.558 6.905 1.00 0.35 H new ATOM 0 HB ILE B 26 150.171 4.045 8.089 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.126 2.431 5.518 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.007 1.947 6.954 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.230 4.444 6.612 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.307 5.859 6.683 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.337 4.788 5.262 1.00 0.54 H new ATOM 0 HD11 ILE B 26 148.841 0.815 6.832 1.00 0.68 H new ATOM 0 HD12 ILE B 26 148.903 1.895 8.245 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.008 2.387 6.787 1.00 0.68 H new ATOM 1172 N ARG B 27 153.450 2.803 6.748 1.00 0.31 N ATOM 1173 CA ARG B 27 154.513 2.006 7.357 1.00 0.37 C ATOM 1174 C ARG B 27 155.860 2.717 7.198 1.00 0.34 C ATOM 1175 O ARG B 27 156.700 2.687 8.101 1.00 0.39 O ATOM 1176 CB ARG B 27 154.560 0.617 6.711 1.00 0.46 C ATOM 1177 CG ARG B 27 155.840 -0.157 6.989 1.00 0.53 C ATOM 1178 CD ARG B 27 156.852 0.013 5.863 1.00 0.80 C ATOM 1179 NE ARG B 27 158.231 -0.022 6.352 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.989 -1.125 6.392 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.507 -2.297 5.982 1.00 1.21 N ATOM 1182 NH2 ARG B 27 160.236 -1.054 6.846 1.00 1.67 N ATOM 0 H ARG B 27 153.286 2.593 5.763 1.00 0.31 H new ATOM 0 HA ARG B 27 154.306 1.889 8.421 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.711 0.034 7.068 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.441 0.726 5.633 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.277 0.186 7.927 1.00 0.53 H new ATOM 0 HG3 ARG B 27 155.607 -1.215 7.113 1.00 0.53 H new ATOM 0 HD2 ARG B 27 156.709 -0.777 5.126 1.00 0.80 H new ATOM 0 HD3 ARG B 27 156.672 0.960 5.354 1.00 0.80 H new ATOM 0 HE ARG B 27 158.641 0.851 6.684 1.00 0.90 H new ATOM 0 HH11 ARG B 27 157.551 -2.361 5.633 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.094 -3.130 6.017 1.00 1.21 H new ATOM 0 HH21 ARG B 27 160.613 -0.161 7.163 1.00 1.67 H new ATOM 0 HH22 ARG B 27 160.816 -1.893 6.878 1.00 1.67 H new ATOM 1196 N GLU B 28 156.047 3.364 6.044 1.00 0.33 N ATOM 1197 CA GLU B 28 157.274 4.103 5.752 1.00 0.36 C ATOM 1198 C GLU B 28 157.404 5.294 6.701 1.00 0.35 C ATOM 1199 O GLU B 28 158.449 5.488 7.323 1.00 0.44 O ATOM 1200 CB GLU B 28 157.266 4.571 4.286 1.00 0.47 C ATOM 1201 CG GLU B 28 157.888 5.944 4.063 1.00 0.78 C ATOM 1202 CD GLU B 28 157.715 6.446 2.642 1.00 1.17 C ATOM 1203 OE1 GLU B 28 156.560 6.703 2.238 1.00 1.62 O ATOM 1204 OE2 GLU B 28 158.735 6.587 1.934 1.00 1.79 O ATOM 0 H GLU B 28 155.357 3.389 5.293 1.00 0.33 H new ATOM 0 HA GLU B 28 158.133 3.449 5.901 1.00 0.36 H new ATOM 0 HB2 GLU B 28 157.801 3.840 3.680 1.00 0.47 H new ATOM 0 HB3 GLU B 28 156.237 4.589 3.928 1.00 0.47 H new ATOM 0 HG2 GLU B 28 157.438 6.658 4.753 1.00 0.78 H new ATOM 0 HG3 GLU B 28 158.951 5.899 4.300 1.00 0.78 H new ATOM 1211 N LEU B 29 156.321 6.068 6.821 1.00 0.33 N ATOM 1212 CA LEU B 29 156.289 7.225 7.713 1.00 0.38 C ATOM 1213 C LEU B 29 156.391 6.789 9.179 1.00 0.42 C ATOM 1214 O LEU B 29 156.709 7.597 10.050 1.00 0.79 O ATOM 1215 CB LEU B 29 155.003 8.027 7.502 1.00 0.46 C ATOM 1216 CG LEU B 29 155.197 9.421 6.903 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.284 9.347 5.384 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.066 10.342 7.339 1.00 0.59 C ATOM 0 H LEU B 29 155.453 5.911 6.308 1.00 0.33 H new ATOM 0 HA LEU B 29 157.147 7.855 7.476 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.341 7.457 6.850 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.495 8.128 8.461 1.00 0.46 H new ATOM 0 HG LEU B 29 156.137 9.831 7.272 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.422 10.349 4.978 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.129 8.720 5.098 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.364 8.918 4.987 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.215 11.331 6.906 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.114 9.936 6.997 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.058 10.419 8.426 1.00 0.59 H new ATOM 1230 N GLU B 30 156.171 5.495 9.432 1.00 0.43 N ATOM 1231 CA GLU B 30 156.288 4.952 10.778 1.00 0.45 C ATOM 1232 C GLU B 30 157.766 4.934 11.164 1.00 0.44 C ATOM 1233 O GLU B 30 158.170 5.569 12.141 1.00 0.58 O ATOM 1234 CB GLU B 30 155.674 3.548 10.858 1.00 0.51 C ATOM 1235 CG GLU B 30 154.796 3.328 12.084 1.00 0.58 C ATOM 1236 CD GLU B 30 155.502 3.660 13.386 1.00 0.93 C ATOM 1237 OE1 GLU B 30 156.312 2.831 13.851 1.00 1.26 O ATOM 1238 OE2 GLU B 30 155.243 4.749 13.942 1.00 1.35 O ATOM 0 H GLU B 30 155.912 4.811 8.721 1.00 0.43 H new ATOM 0 HA GLU B 30 155.737 5.579 11.479 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.080 3.370 9.961 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.477 2.811 10.861 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.899 3.941 11.997 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.470 2.288 12.109 1.00 0.58 H new ATOM 1245 N ASP B 31 158.568 4.224 10.363 1.00 0.41 N ATOM 1246 CA ASP B 31 160.014 4.139 10.578 1.00 0.55 C ATOM 1247 C ASP B 31 160.650 5.536 10.575 1.00 0.57 C ATOM 1248 O ASP B 31 161.679 5.760 11.215 1.00 0.76 O ATOM 1249 CB ASP B 31 160.651 3.271 9.489 1.00 0.69 C ATOM 1250 CG ASP B 31 160.449 1.788 9.740 1.00 1.28 C ATOM 1251 OD1 ASP B 31 161.235 1.203 10.515 1.00 1.66 O ATOM 1252 OD2 ASP B 31 159.501 1.214 9.163 1.00 1.74 O ATOM 0 H ASP B 31 158.236 3.697 9.555 1.00 0.41 H new ATOM 0 HA ASP B 31 160.192 3.684 11.552 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.223 3.535 8.522 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.718 3.486 9.435 1.00 0.69 H new ATOM 1257 N TYR B 32 160.015 6.473 9.861 1.00 0.49 N ATOM 1258 CA TYR B 32 160.500 7.849 9.790 1.00 0.56 C ATOM 1259 C TYR B 32 160.332 8.543 11.143 1.00 0.56 C ATOM 1260 O TYR B 32 161.244 9.222 11.617 1.00 0.67 O ATOM 1261 CB TYR B 32 159.758 8.625 8.699 1.00 0.60 C ATOM 1262 CG TYR B 32 160.486 8.645 7.374 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.704 9.301 7.239 1.00 1.15 C ATOM 1264 CD2 TYR B 32 159.958 8.006 6.260 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.373 9.320 6.031 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.622 8.019 5.049 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.828 8.678 4.939 1.00 1.21 C ATOM 1268 OH TYR B 32 162.491 8.695 3.734 1.00 1.53 O ATOM 0 H TYR B 32 159.164 6.300 9.326 1.00 0.49 H new ATOM 0 HA TYR B 32 161.560 7.828 9.538 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.772 8.183 8.556 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.602 9.650 9.035 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.134 9.804 8.093 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.013 7.490 6.342 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.318 9.835 5.942 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.199 7.515 4.193 1.00 1.17 H new ATOM 0 HH TYR B 32 161.973 8.196 3.069 1.00 1.53 H new ATOM 1278 N ILE B 33 159.166 8.346 11.769 1.00 0.54 N ATOM 1279 CA ILE B 33 158.877 8.932 13.082 1.00 0.64 C ATOM 1280 C ILE B 33 159.516 8.113 14.216 1.00 0.58 C ATOM 1281 O ILE B 33 159.471 8.518 15.380 1.00 0.78 O ATOM 1282 CB ILE B 33 157.353 9.036 13.334 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.662 9.728 12.155 1.00 0.84 C ATOM 1284 CG2 ILE B 33 157.075 9.791 14.628 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.218 9.313 11.965 1.00 0.87 C ATOM 0 H ILE B 33 158.406 7.784 11.386 1.00 0.54 H new ATOM 0 HA ILE B 33 159.307 9.933 13.076 1.00 0.64 H new ATOM 0 HB ILE B 33 156.951 8.027 13.429 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.704 10.807 12.304 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.216 9.510 11.242 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.999 9.854 14.788 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.536 9.264 15.463 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.491 10.796 14.559 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.796 9.844 11.112 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.169 8.239 11.784 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.648 9.556 12.862 1.00 0.87 H new ATOM 1297 N ASP B 34 160.129 6.977 13.869 1.00 0.46 N ATOM 1298 CA ASP B 34 160.789 6.128 14.857 1.00 0.50 C ATOM 1299 C ASP B 34 162.051 6.802 15.394 1.00 0.40 C ATOM 1300 O ASP B 34 162.414 6.608 16.547 1.00 0.45 O ATOM 1301 CB ASP B 34 161.139 4.768 14.248 1.00 0.69 C ATOM 1302 CG ASP B 34 160.160 3.684 14.655 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.325 3.115 15.754 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.227 3.406 13.874 1.00 1.46 O ATOM 0 H ASP B 34 160.180 6.627 12.912 1.00 0.46 H new ATOM 0 HA ASP B 34 160.098 5.974 15.686 1.00 0.50 H new ATOM 0 HB2 ASP B 34 161.153 4.852 13.161 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.144 4.482 14.558 1.00 0.69 H new ATOM 1309 N ASN B 35 162.706 7.598 14.543 1.00 0.52 N ATOM 1310 CA ASN B 35 163.926 8.316 14.922 1.00 0.58 C ATOM 1311 C ASN B 35 163.790 8.939 16.313 1.00 0.49 C ATOM 1312 O ASN B 35 164.741 8.936 17.096 1.00 0.61 O ATOM 1313 CB ASN B 35 164.252 9.401 13.893 1.00 0.78 C ATOM 1314 CG ASN B 35 165.067 8.866 12.732 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.297 8.895 12.758 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.384 8.370 11.704 1.00 1.31 N ATOM 0 H ASN B 35 162.409 7.762 13.581 1.00 0.52 H new ATOM 0 HA ASN B 35 164.742 7.594 14.947 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.324 9.831 13.515 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.802 10.207 14.379 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.880 7.994 10.896 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.364 8.366 11.724 1.00 1.31 H new ATOM 1323 N LEU B 36 162.596 9.455 16.619 1.00 0.44 N ATOM 1324 CA LEU B 36 162.328 10.062 17.922 1.00 0.51 C ATOM 1325 C LEU B 36 162.371 9.002 19.024 1.00 0.47 C ATOM 1326 O LEU B 36 163.005 9.200 20.062 1.00 0.59 O ATOM 1327 CB LEU B 36 160.962 10.759 17.925 1.00 0.71 C ATOM 1328 CG LEU B 36 160.650 11.612 16.690 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.205 12.086 16.725 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.600 12.798 16.599 1.00 1.64 C ATOM 0 H LEU B 36 161.801 9.464 15.980 1.00 0.44 H new ATOM 0 HA LEU B 36 163.101 10.806 18.114 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.187 9.999 18.025 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.901 11.395 18.808 1.00 0.71 H new ATOM 0 HG LEU B 36 160.791 10.995 15.802 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.999 12.690 15.842 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.539 11.223 16.738 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.040 12.685 17.621 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.360 13.389 15.715 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.495 13.418 17.490 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.626 12.438 16.527 1.00 1.64 H new ATOM 1342 N LEU B 37 161.697 7.874 18.782 1.00 0.41 N ATOM 1343 CA LEU B 37 161.658 6.771 19.741 1.00 0.48 C ATOM 1344 C LEU B 37 162.237 5.492 19.125 1.00 0.41 C ATOM 1345 O LEU B 37 161.551 4.473 19.019 1.00 0.54 O ATOM 1346 CB LEU B 37 160.219 6.529 20.217 1.00 0.65 C ATOM 1347 CG LEU B 37 159.179 6.363 19.102 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.216 5.231 19.431 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.423 7.666 18.879 1.00 0.69 C ATOM 0 H LEU B 37 161.170 7.702 17.926 1.00 0.41 H new ATOM 0 HA LEU B 37 162.271 7.044 20.600 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.205 5.635 20.840 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.918 7.363 20.851 1.00 0.65 H new ATOM 0 HG LEU B 37 159.701 6.108 18.180 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.486 5.129 18.628 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.772 4.299 19.536 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.699 5.453 20.365 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.689 7.530 18.084 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.913 7.953 19.799 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.125 8.450 18.594 1.00 0.69 H new ATOM 1361 N VAL B 38 163.507 5.558 18.717 1.00 0.36 N ATOM 1362 CA VAL B 38 164.189 4.415 18.106 1.00 0.49 C ATOM 1363 C VAL B 38 164.000 3.151 18.949 1.00 0.67 C ATOM 1364 O VAL B 38 163.742 3.236 20.150 1.00 1.35 O ATOM 1365 CB VAL B 38 165.699 4.702 17.920 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.408 3.522 17.270 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.905 5.966 17.095 1.00 0.89 C ATOM 0 H VAL B 38 164.085 6.394 18.799 1.00 0.36 H new ATOM 0 HA VAL B 38 163.742 4.253 17.125 1.00 0.49 H new ATOM 0 HB VAL B 38 166.135 4.854 18.907 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.467 3.753 17.152 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.297 2.639 17.900 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.968 3.327 16.292 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.972 6.152 16.975 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.446 5.839 16.115 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.445 6.812 17.605 1.00 0.89 H new ATOM 1377 N ARG B 39 164.109 1.988 18.297 1.00 0.54 N ATOM 1378 CA ARG B 39 163.931 0.688 18.957 1.00 0.62 C ATOM 1379 C ARG B 39 164.759 0.568 20.241 1.00 0.51 C ATOM 1380 O ARG B 39 165.868 0.029 20.234 1.00 0.63 O ATOM 1381 CB ARG B 39 164.290 -0.449 17.994 1.00 0.93 C ATOM 1382 CG ARG B 39 163.238 -0.696 16.924 1.00 1.15 C ATOM 1383 CD ARG B 39 163.855 -1.250 15.648 1.00 1.41 C ATOM 1384 NE ARG B 39 163.662 -2.695 15.524 1.00 1.58 N ATOM 1385 CZ ARG B 39 164.513 -3.613 15.994 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.624 -3.247 16.632 1.00 2.06 N ATOM 1387 NH2 ARG B 39 164.250 -4.905 15.826 1.00 2.18 N ATOM 0 H ARG B 39 164.322 1.920 17.302 1.00 0.54 H new ATOM 0 HA ARG B 39 162.881 0.612 19.238 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.240 -0.219 17.511 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.437 -1.365 18.566 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.492 -1.395 17.301 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.718 0.236 16.702 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.413 -0.751 14.786 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.921 -1.025 15.634 1.00 1.41 H new ATOM 0 HE ARG B 39 162.822 -3.024 15.047 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.833 -2.258 16.766 1.00 2.06 H new ATOM 0 HH12 ARG B 39 166.266 -3.956 16.986 1.00 2.06 H new ATOM 0 HH21 ARG B 39 163.401 -5.194 15.340 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.897 -5.608 16.183 1.00 2.18 H new ATOM 1401 N VAL B 40 164.198 1.073 21.342 1.00 0.43 N ATOM 1402 CA VAL B 40 164.854 1.032 22.649 1.00 0.56 C ATOM 1403 C VAL B 40 163.805 1.000 23.765 1.00 0.71 C ATOM 1404 O VAL B 40 163.718 1.919 24.583 1.00 1.15 O ATOM 1405 CB VAL B 40 165.793 2.247 22.860 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.596 2.090 24.146 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.724 2.431 21.669 1.00 0.65 C ATOM 0 H VAL B 40 163.281 1.519 21.352 1.00 0.43 H new ATOM 0 HA VAL B 40 165.458 0.125 22.682 1.00 0.56 H new ATOM 0 HB VAL B 40 165.173 3.139 22.947 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.249 2.953 24.275 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.915 2.020 24.994 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.200 1.184 24.090 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.372 3.290 21.843 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.334 1.536 21.542 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.134 2.598 20.768 1.00 0.65 H new ATOM 1417 N MET B 41 162.999 -0.064 23.782 1.00 0.60 N ATOM 1418 CA MET B 41 161.946 -0.217 24.786 1.00 0.74 C ATOM 1419 C MET B 41 162.192 -1.449 25.656 1.00 0.91 C ATOM 1420 O MET B 41 162.346 -2.555 25.093 1.00 0.91 O ATOM 1421 CB MET B 41 160.570 -0.318 24.113 1.00 0.73 C ATOM 1422 CG MET B 41 160.366 0.669 22.972 1.00 0.74 C ATOM 1423 SD MET B 41 160.768 -0.041 21.363 1.00 0.86 S ATOM 1424 CE MET B 41 159.398 0.552 20.374 1.00 0.70 C ATOM 1425 OXT MET B 41 162.229 -1.297 26.895 1.00 1.13 O ATOM 0 H MET B 41 163.056 -0.831 23.112 1.00 0.60 H new ATOM 0 HA MET B 41 161.964 0.666 25.425 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.436 -1.331 23.732 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.797 -0.155 24.864 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.329 1.005 22.968 1.00 0.74 H new ATOM 0 HG3 MET B 41 160.986 1.549 23.142 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.507 0.194 19.350 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.461 0.182 20.791 1.00 0.70 H new ATOM 0 HE3 MET B 41 159.391 1.642 20.378 1.00 0.70 H new TER 1435 MET B 41