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= -0.553 X(o=-0.55,f=-0.059) 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= -0.0663 X(o=-0.066,f=-0.19) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.275 X(o=0.28,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 :FLIP no HE2:sc= -0.235 F(o=-0.88,f=-0.23) 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= -0.0488 X(o=-0.049,f=-0.18) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : B 41 MET CE :methyl -121:sc= -0.0245 (180deg=-0.503) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.272 -18.099 -19.710 1.00 0.77 N ATOM 2 CA GLY A 1 130.987 -18.075 -18.956 1.00 0.81 C ATOM 3 C GLY A 1 130.832 -16.824 -18.109 1.00 0.65 C ATOM 4 O GLY A 1 130.460 -15.766 -18.620 1.00 0.70 O ATOM 0 H1 GLY A 1 132.329 -18.972 -20.272 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.318 -17.276 -20.344 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.068 -18.065 -19.041 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.156 -18.139 -19.659 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.930 -18.954 -18.314 1.00 0.81 H new ATOM 10 N SER A 2 131.119 -16.948 -16.813 1.00 0.55 N ATOM 11 CA SER A 2 131.012 -15.818 -15.889 1.00 0.48 C ATOM 12 C SER A 2 132.364 -15.146 -15.654 1.00 0.47 C ATOM 13 O SER A 2 132.420 -14.068 -15.064 1.00 0.71 O ATOM 14 CB SER A 2 130.416 -16.277 -14.555 1.00 0.54 C ATOM 15 OG SER A 2 129.044 -16.608 -14.694 1.00 0.67 O ATOM 0 H SER A 2 131.427 -17.818 -16.379 1.00 0.55 H new ATOM 0 HA SER A 2 130.350 -15.083 -16.347 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.966 -17.143 -14.186 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.529 -15.487 -13.812 1.00 0.54 H new ATOM 0 HG SER A 2 128.688 -16.899 -13.829 1.00 0.67 H new ATOM 21 N LEU A 3 133.449 -15.764 -16.137 1.00 0.38 N ATOM 22 CA LEU A 3 134.786 -15.184 -15.990 1.00 0.43 C ATOM 23 C LEU A 3 135.022 -14.178 -17.114 1.00 0.53 C ATOM 24 O LEU A 3 135.950 -14.315 -17.914 1.00 0.88 O ATOM 25 CB LEU A 3 135.889 -16.262 -15.995 1.00 0.48 C ATOM 26 CG LEU A 3 135.418 -17.720 -15.976 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.563 -18.651 -16.346 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.852 -18.083 -14.610 1.00 1.42 C ATOM 0 H LEU A 3 133.427 -16.658 -16.628 1.00 0.38 H new ATOM 0 HA LEU A 3 134.836 -14.682 -15.024 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.507 -16.114 -16.881 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.530 -16.099 -15.129 1.00 0.48 H new ATOM 0 HG LEU A 3 134.625 -17.837 -16.715 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.213 -19.683 -16.328 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.922 -18.407 -17.346 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.376 -18.531 -15.629 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.523 -19.122 -14.617 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.622 -17.951 -13.850 1.00 1.42 H new ATOM 0 HD23 LEU A 3 134.005 -17.436 -14.384 1.00 1.42 H new ATOM 40 N THR A 4 134.148 -13.176 -17.174 1.00 0.41 N ATOM 41 CA THR A 4 134.212 -12.145 -18.198 1.00 0.49 C ATOM 42 C THR A 4 133.766 -10.799 -17.624 1.00 0.39 C ATOM 43 O THR A 4 133.825 -10.589 -16.414 1.00 0.39 O ATOM 44 CB THR A 4 133.340 -12.547 -19.397 1.00 0.65 C ATOM 45 OG1 THR A 4 132.001 -12.779 -18.993 1.00 0.64 O ATOM 46 CG2 THR A 4 133.828 -13.796 -20.100 1.00 0.80 C ATOM 0 H THR A 4 133.379 -13.059 -16.514 1.00 0.41 H new ATOM 0 HA THR A 4 135.242 -12.042 -18.539 1.00 0.49 H new ATOM 0 HB THR A 4 133.403 -11.708 -20.091 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.463 -13.032 -19.772 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.168 -14.024 -20.937 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.840 -13.633 -20.470 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.828 -14.631 -19.400 1.00 0.80 H new ATOM 54 N TYR A 5 133.361 -9.881 -18.501 1.00 0.48 N ATOM 55 CA TYR A 5 132.935 -8.533 -18.108 1.00 0.46 C ATOM 56 C TYR A 5 132.040 -8.503 -16.864 1.00 0.42 C ATOM 57 O TYR A 5 132.146 -7.577 -16.057 1.00 0.47 O ATOM 58 CB TYR A 5 132.203 -7.870 -19.276 1.00 0.59 C ATOM 59 CG TYR A 5 131.973 -6.385 -19.093 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.030 -5.485 -19.138 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.696 -5.886 -18.874 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.821 -4.130 -18.972 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.479 -4.532 -18.707 1.00 0.90 C ATOM 64 CZ TYR A 5 131.544 -3.658 -18.756 1.00 0.65 C ATOM 65 OH TYR A 5 131.332 -2.309 -18.590 1.00 0.79 O ATOM 0 H TYR A 5 133.318 -10.049 -19.506 1.00 0.48 H new ATOM 0 HA TYR A 5 133.842 -7.986 -17.850 1.00 0.46 H new ATOM 0 HB2 TYR A 5 132.777 -8.029 -20.189 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.240 -8.362 -19.415 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.032 -5.851 -19.306 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.859 -6.567 -18.834 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.654 -3.444 -19.011 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.479 -4.160 -18.539 1.00 0.90 H new ATOM 0 HH TYR A 5 130.377 -2.143 -18.449 1.00 0.79 H new ATOM 75 N GLU A 6 131.157 -9.494 -16.701 1.00 0.48 N ATOM 76 CA GLU A 6 130.259 -9.533 -15.542 1.00 0.50 C ATOM 77 C GLU A 6 130.995 -9.929 -14.257 1.00 0.38 C ATOM 78 O GLU A 6 130.481 -9.720 -13.156 1.00 0.47 O ATOM 79 CB GLU A 6 129.109 -10.512 -15.800 1.00 0.60 C ATOM 80 CG GLU A 6 127.850 -9.849 -16.339 1.00 0.65 C ATOM 81 CD GLU A 6 126.660 -10.016 -15.413 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.588 -9.285 -14.402 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.801 -10.876 -15.699 1.00 1.16 O ATOM 0 H GLU A 6 131.045 -10.273 -17.350 1.00 0.48 H new ATOM 0 HA GLU A 6 129.864 -8.527 -15.403 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.441 -11.270 -16.509 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.868 -11.028 -14.871 1.00 0.60 H new ATOM 0 HG2 GLU A 6 128.040 -8.787 -16.492 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.609 -10.273 -17.314 1.00 0.65 H new ATOM 90 N GLU A 7 132.196 -10.492 -14.401 1.00 0.30 N ATOM 91 CA GLU A 7 132.997 -10.903 -13.250 1.00 0.29 C ATOM 92 C GLU A 7 133.719 -9.705 -12.644 1.00 0.28 C ATOM 93 O GLU A 7 133.736 -9.535 -11.423 1.00 0.46 O ATOM 94 CB GLU A 7 134.018 -11.970 -13.657 1.00 0.40 C ATOM 95 CG GLU A 7 134.166 -13.091 -12.639 1.00 0.56 C ATOM 96 CD GLU A 7 135.323 -12.863 -11.685 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.142 -12.118 -10.698 1.00 0.81 O ATOM 98 OE2 GLU A 7 136.410 -13.429 -11.924 1.00 1.01 O ATOM 0 H GLU A 7 132.634 -10.673 -15.304 1.00 0.30 H new ATOM 0 HA GLU A 7 132.323 -11.325 -12.504 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.722 -12.397 -14.615 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.988 -11.495 -13.806 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.242 -13.183 -12.068 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.312 -14.036 -13.163 1.00 0.56 H new ATOM 105 N VAL A 8 134.305 -8.870 -13.504 1.00 0.34 N ATOM 106 CA VAL A 8 135.019 -7.680 -13.058 1.00 0.36 C ATOM 107 C VAL A 8 134.041 -6.585 -12.623 1.00 0.28 C ATOM 108 O VAL A 8 134.320 -5.838 -11.685 1.00 0.39 O ATOM 109 CB VAL A 8 135.956 -7.143 -14.165 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.158 -6.558 -15.322 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.931 -6.119 -13.599 1.00 0.77 C ATOM 0 H VAL A 8 134.297 -9.000 -14.516 1.00 0.34 H new ATOM 0 HA VAL A 8 135.627 -7.966 -12.200 1.00 0.36 H new ATOM 0 HB VAL A 8 136.535 -7.981 -14.552 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.842 -6.188 -16.086 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.519 -7.330 -15.751 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.540 -5.736 -14.959 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.580 -5.755 -14.396 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.375 -5.283 -13.174 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.537 -6.584 -12.822 1.00 0.77 H new ATOM 121 N LEU A 9 132.892 -6.500 -13.308 1.00 0.36 N ATOM 122 CA LEU A 9 131.870 -5.502 -12.984 1.00 0.49 C ATOM 123 C LEU A 9 131.507 -5.568 -11.502 1.00 0.53 C ATOM 124 O LEU A 9 131.615 -4.571 -10.784 1.00 0.73 O ATOM 125 CB LEU A 9 130.615 -5.718 -13.836 1.00 0.66 C ATOM 126 CG LEU A 9 130.418 -4.717 -14.977 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.202 -5.093 -15.810 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.275 -3.300 -14.434 1.00 0.72 C ATOM 0 H LEU A 9 132.650 -7.111 -14.088 1.00 0.36 H new ATOM 0 HA LEU A 9 132.279 -4.516 -13.204 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.651 -6.722 -14.258 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.742 -5.677 -13.184 1.00 0.66 H new ATOM 0 HG LEU A 9 131.300 -4.750 -15.616 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.076 -4.371 -16.617 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.344 -6.088 -16.232 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.313 -5.090 -15.179 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.136 -2.605 -15.262 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.412 -3.250 -13.770 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.175 -3.030 -13.881 1.00 0.72 H new ATOM 140 N GLN A 10 131.089 -6.753 -11.049 1.00 0.42 N ATOM 141 CA GLN A 10 130.724 -6.960 -9.647 1.00 0.49 C ATOM 142 C GLN A 10 131.945 -6.828 -8.731 1.00 0.43 C ATOM 143 O GLN A 10 131.803 -6.621 -7.524 1.00 0.50 O ATOM 144 CB GLN A 10 130.078 -8.338 -9.464 1.00 0.60 C ATOM 145 CG GLN A 10 128.559 -8.295 -9.406 1.00 0.69 C ATOM 146 CD GLN A 10 128.037 -7.997 -8.013 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.775 -6.844 -7.670 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.884 -9.037 -7.199 1.00 0.84 N ATOM 0 H GLN A 10 130.995 -7.583 -11.634 1.00 0.42 H new ATOM 0 HA GLN A 10 130.006 -6.188 -9.370 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.384 -8.985 -10.286 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.456 -8.788 -8.546 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.194 -7.535 -10.097 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.159 -9.251 -9.743 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.113 -9.977 -7.523 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.538 -8.895 -6.250 1.00 0.84 H new ATOM 157 N GLU A 11 133.144 -6.948 -9.309 1.00 0.41 N ATOM 158 CA GLU A 11 134.380 -6.836 -8.544 1.00 0.44 C ATOM 159 C GLU A 11 134.641 -5.386 -8.137 1.00 0.40 C ATOM 160 O GLU A 11 134.800 -5.099 -6.950 1.00 0.56 O ATOM 161 CB GLU A 11 135.564 -7.374 -9.353 1.00 0.52 C ATOM 162 CG GLU A 11 136.371 -8.435 -8.622 1.00 0.63 C ATOM 163 CD GLU A 11 137.828 -8.451 -9.039 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.144 -9.081 -10.070 1.00 1.64 O ATOM 165 OE2 GLU A 11 138.654 -7.832 -8.336 1.00 1.54 O ATOM 0 H GLU A 11 133.280 -7.123 -10.305 1.00 0.41 H new ATOM 0 HA GLU A 11 134.270 -7.434 -7.640 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.193 -7.792 -10.289 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.222 -6.545 -9.613 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.306 -8.259 -7.548 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.932 -9.415 -8.812 1.00 0.63 H new ATOM 172 N LEU A 12 134.698 -4.473 -9.121 1.00 0.34 N ATOM 173 CA LEU A 12 134.956 -3.053 -8.858 1.00 0.34 C ATOM 174 C LEU A 12 134.092 -2.505 -7.723 1.00 0.31 C ATOM 175 O LEU A 12 134.610 -1.847 -6.820 1.00 0.39 O ATOM 176 CB LEU A 12 134.719 -2.232 -10.136 1.00 0.36 C ATOM 177 CG LEU A 12 135.560 -0.956 -10.274 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.203 0.048 -9.188 1.00 0.65 C ATOM 179 CD2 LEU A 12 137.047 -1.283 -10.235 1.00 0.59 C ATOM 0 H LEU A 12 134.568 -4.697 -10.108 1.00 0.34 H new ATOM 0 HA LEU A 12 135.997 -2.965 -8.547 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.917 -2.870 -10.997 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.665 -1.957 -10.178 1.00 0.36 H new ATOM 0 HG LEU A 12 135.334 -0.506 -11.241 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.812 0.944 -9.307 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.149 0.312 -9.269 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.392 -0.392 -8.209 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.624 -0.364 -10.334 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.289 -1.763 -9.287 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.293 -1.957 -11.056 1.00 0.59 H new ATOM 191 N VAL A 13 132.779 -2.768 -7.766 1.00 0.26 N ATOM 192 CA VAL A 13 131.885 -2.279 -6.717 1.00 0.26 C ATOM 193 C VAL A 13 132.390 -2.726 -5.345 1.00 0.22 C ATOM 194 O VAL A 13 132.635 -1.891 -4.478 1.00 0.24 O ATOM 195 CB VAL A 13 130.409 -2.713 -6.928 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.278 -4.222 -7.070 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.531 -2.198 -5.794 1.00 0.53 C ATOM 0 H VAL A 13 132.322 -3.306 -8.502 1.00 0.26 H new ATOM 0 HA VAL A 13 131.896 -1.190 -6.770 1.00 0.26 H new ATOM 0 HB VAL A 13 130.067 -2.268 -7.862 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.230 -4.484 -7.216 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.859 -4.558 -7.929 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.651 -4.706 -6.167 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.501 -2.512 -5.960 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.886 -2.603 -4.846 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.578 -1.109 -5.763 1.00 0.53 H new ATOM 207 N LYS A 14 132.546 -4.041 -5.153 1.00 0.24 N ATOM 208 CA LYS A 14 133.030 -4.595 -3.886 1.00 0.23 C ATOM 209 C LYS A 14 134.280 -3.867 -3.385 1.00 0.21 C ATOM 210 O LYS A 14 134.423 -3.630 -2.185 1.00 0.28 O ATOM 211 CB LYS A 14 133.337 -6.085 -4.061 1.00 0.30 C ATOM 212 CG LYS A 14 133.373 -6.861 -2.757 1.00 0.84 C ATOM 213 CD LYS A 14 133.648 -8.338 -2.995 1.00 0.68 C ATOM 214 CE LYS A 14 132.991 -9.206 -1.933 1.00 0.73 C ATOM 215 NZ LYS A 14 132.892 -10.631 -2.358 1.00 0.75 N ATOM 0 H LYS A 14 132.342 -4.743 -5.864 1.00 0.24 H new ATOM 0 HA LYS A 14 132.246 -4.459 -3.141 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.585 -6.527 -4.715 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.299 -6.192 -4.563 1.00 0.30 H new ATOM 0 HG2 LYS A 14 134.143 -6.446 -2.107 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.422 -6.746 -2.237 1.00 0.84 H new ATOM 0 HD2 LYS A 14 133.278 -8.624 -3.980 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.724 -8.513 -2.995 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.564 -9.143 -1.008 1.00 0.73 H new ATOM 0 HE3 LYS A 14 131.994 -8.822 -1.717 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.438 -11.187 -1.605 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.324 -10.696 -3.227 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.845 -11.006 -2.539 1.00 0.75 H new ATOM 229 N HIS A 15 135.176 -3.505 -4.308 1.00 0.25 N ATOM 230 CA HIS A 15 136.406 -2.795 -3.953 1.00 0.27 C ATOM 231 C HIS A 15 136.096 -1.378 -3.472 1.00 0.23 C ATOM 232 O HIS A 15 136.716 -0.886 -2.527 1.00 0.43 O ATOM 233 CB HIS A 15 137.358 -2.740 -5.153 1.00 0.33 C ATOM 234 CG HIS A 15 138.052 -4.038 -5.431 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.401 -4.125 -5.705 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.578 -5.305 -5.479 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.725 -5.389 -5.911 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.637 -6.125 -5.779 1.00 0.72 N ATOM 0 H HIS A 15 135.072 -3.692 -5.305 1.00 0.25 H new ATOM 0 HA HIS A 15 136.888 -3.341 -3.142 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.796 -2.442 -6.038 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.107 -1.968 -4.976 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.556 -5.613 -5.312 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.712 -5.758 -6.147 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.591 -7.139 -5.883 1.00 0.72 H new ATOM 247 N LYS A 16 135.129 -0.730 -4.127 1.00 0.21 N ATOM 248 CA LYS A 16 134.726 0.626 -3.765 1.00 0.25 C ATOM 249 C LYS A 16 133.955 0.625 -2.447 1.00 0.32 C ATOM 250 O LYS A 16 134.214 1.452 -1.569 1.00 0.62 O ATOM 251 CB LYS A 16 133.870 1.245 -4.875 1.00 0.37 C ATOM 252 CG LYS A 16 134.668 1.657 -6.102 1.00 0.50 C ATOM 253 CD LYS A 16 133.783 2.318 -7.148 1.00 0.57 C ATOM 254 CE LYS A 16 133.410 3.739 -6.750 1.00 0.59 C ATOM 255 NZ LYS A 16 131.939 3.902 -6.576 1.00 0.66 N ATOM 0 H LYS A 16 134.611 -1.126 -4.912 1.00 0.21 H new ATOM 0 HA LYS A 16 135.627 1.227 -3.640 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.104 0.529 -5.174 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.352 2.118 -4.479 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.461 2.345 -5.807 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.151 0.781 -6.534 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.301 2.332 -8.107 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.877 1.728 -7.284 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.916 4.000 -5.821 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.764 4.434 -7.512 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.728 4.884 -6.305 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.457 3.678 -7.470 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.604 3.258 -5.831 1.00 0.66 H new ATOM 269 N GLU A 17 133.013 -0.315 -2.310 1.00 0.32 N ATOM 270 CA GLU A 17 132.214 -0.428 -1.093 1.00 0.39 C ATOM 271 C GLU A 17 133.123 -0.700 0.103 1.00 0.32 C ATOM 272 O GLU A 17 133.160 0.089 1.045 1.00 0.40 O ATOM 273 CB GLU A 17 131.172 -1.545 -1.249 1.00 0.51 C ATOM 274 CG GLU A 17 130.568 -2.025 0.064 1.00 0.80 C ATOM 275 CD GLU A 17 130.673 -3.530 0.238 1.00 1.08 C ATOM 276 OE1 GLU A 17 131.783 -4.018 0.540 1.00 1.47 O ATOM 277 OE2 GLU A 17 129.645 -4.221 0.070 1.00 1.43 O ATOM 0 H GLU A 17 132.789 -1.005 -3.027 1.00 0.32 H new ATOM 0 HA GLU A 17 131.688 0.511 -0.921 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.370 -1.190 -1.896 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.637 -2.392 -1.753 1.00 0.51 H new ATOM 0 HG2 GLU A 17 131.073 -1.531 0.894 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.520 -1.730 0.107 1.00 0.80 H new ATOM 284 N LEU A 18 133.836 -1.832 0.067 1.00 0.32 N ATOM 285 CA LEU A 18 134.739 -2.222 1.154 1.00 0.34 C ATOM 286 C LEU A 18 135.563 -1.039 1.664 1.00 0.33 C ATOM 287 O LEU A 18 135.753 -0.889 2.873 1.00 0.66 O ATOM 288 CB LEU A 18 135.676 -3.342 0.693 1.00 0.53 C ATOM 289 CG LEU A 18 135.049 -4.738 0.645 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.020 -5.738 0.035 1.00 0.86 C ATOM 291 CD2 LEU A 18 134.625 -5.183 2.039 1.00 0.79 C ATOM 0 H LEU A 18 133.804 -2.496 -0.707 1.00 0.32 H new ATOM 0 HA LEU A 18 134.119 -2.579 1.976 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.050 -3.095 -0.300 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.538 -3.371 1.360 1.00 0.53 H new ATOM 0 HG LEU A 18 134.160 -4.695 0.015 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.558 -6.725 0.009 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.272 -5.428 -0.979 1.00 0.86 H new ATOM 0 HD13 LEU A 18 136.927 -5.778 0.638 1.00 0.86 H new ATOM 0 HD21 LEU A 18 134.182 -6.177 1.984 1.00 0.79 H new ATOM 0 HD22 LEU A 18 135.496 -5.210 2.693 1.00 0.79 H new ATOM 0 HD23 LEU A 18 133.893 -4.481 2.438 1.00 0.79 H new ATOM 303 N LEU A 19 136.047 -0.195 0.745 1.00 0.43 N ATOM 304 CA LEU A 19 136.843 0.977 1.115 1.00 0.44 C ATOM 305 C LEU A 19 136.024 1.963 1.950 1.00 0.30 C ATOM 306 O LEU A 19 136.549 2.586 2.875 1.00 0.45 O ATOM 307 CB LEU A 19 137.371 1.678 -0.143 1.00 0.57 C ATOM 308 CG LEU A 19 138.869 1.508 -0.405 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.160 1.561 -1.899 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.665 2.574 0.336 1.00 0.94 C ATOM 0 H LEU A 19 135.901 -0.303 -0.259 1.00 0.43 H new ATOM 0 HA LEU A 19 137.683 0.633 1.718 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.823 1.301 -1.006 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.151 2.743 -0.065 1.00 0.57 H new ATOM 0 HG LEU A 19 139.175 0.531 -0.032 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.230 1.438 -2.066 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.620 0.760 -2.404 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.838 2.523 -2.298 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.728 2.438 0.138 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.356 3.562 -0.006 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.481 2.487 1.407 1.00 0.94 H new ATOM 322 N ARG A 20 134.738 2.099 1.616 1.00 0.32 N ATOM 323 CA ARG A 20 133.848 3.008 2.333 1.00 0.50 C ATOM 324 C ARG A 20 133.663 2.566 3.783 1.00 0.40 C ATOM 325 O ARG A 20 133.970 3.328 4.701 1.00 0.47 O ATOM 326 CB ARG A 20 132.491 3.107 1.628 1.00 0.78 C ATOM 327 CG ARG A 20 132.343 4.364 0.786 1.00 0.89 C ATOM 328 CD ARG A 20 131.017 4.392 0.043 1.00 0.98 C ATOM 329 NE ARG A 20 131.035 5.342 -1.072 1.00 1.06 N ATOM 330 CZ ARG A 20 130.006 6.124 -1.415 1.00 1.17 C ATOM 331 NH1 ARG A 20 128.856 6.072 -0.745 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.128 6.962 -2.440 1.00 1.60 N ATOM 0 H ARG A 20 134.292 1.590 0.853 1.00 0.32 H new ATOM 0 HA ARG A 20 134.311 3.995 2.335 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.355 2.233 0.991 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.698 3.083 2.375 1.00 0.78 H new ATOM 0 HG2 ARG A 20 132.419 5.242 1.427 1.00 0.89 H new ATOM 0 HG3 ARG A 20 133.163 4.420 0.070 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.791 3.394 -0.334 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.219 4.660 0.735 1.00 0.98 H new ATOM 0 HE ARG A 20 131.890 5.412 -1.624 1.00 1.06 H new ATOM 0 HH11 ARG A 20 128.752 5.430 0.041 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.079 6.674 -1.018 1.00 1.74 H new ATOM 0 HH21 ARG A 20 131.004 7.006 -2.961 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.346 7.560 -2.705 1.00 1.60 H new ATOM 346 N ARG A 21 133.156 1.341 3.993 1.00 0.36 N ATOM 347 CA ARG A 21 132.930 0.812 5.343 1.00 0.37 C ATOM 348 C ARG A 21 134.143 1.018 6.248 1.00 0.35 C ATOM 349 O ARG A 21 133.991 1.363 7.418 1.00 0.49 O ATOM 350 CB ARG A 21 132.591 -0.682 5.273 1.00 0.47 C ATOM 351 CG ARG A 21 131.360 -1.070 6.077 1.00 0.71 C ATOM 352 CD ARG A 21 130.559 -2.160 5.380 1.00 0.94 C ATOM 353 NE ARG A 21 130.032 -3.146 6.324 1.00 0.95 N ATOM 354 CZ ARG A 21 130.712 -4.214 6.755 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.957 -4.440 6.340 1.00 2.03 N ATOM 356 NH2 ARG A 21 130.143 -5.058 7.609 1.00 1.50 N ATOM 0 H ARG A 21 132.895 0.700 3.244 1.00 0.36 H new ATOM 0 HA ARG A 21 132.093 1.363 5.772 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.436 -0.961 4.231 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.445 -1.256 5.633 1.00 0.47 H new ATOM 0 HG2 ARG A 21 131.664 -1.416 7.065 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.730 -0.193 6.226 1.00 0.71 H new ATOM 0 HD2 ARG A 21 129.733 -1.707 4.831 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.192 -2.662 4.648 1.00 0.94 H new ATOM 0 HE ARG A 21 129.084 -3.010 6.676 1.00 0.95 H new ATOM 0 HH11 ARG A 21 132.402 -3.795 5.687 1.00 2.03 H new ATOM 0 HH12 ARG A 21 132.466 -5.258 6.676 1.00 2.03 H new ATOM 0 HH21 ARG A 21 129.191 -4.890 7.934 1.00 1.50 H new ATOM 0 HH22 ARG A 21 130.658 -5.874 7.940 1.00 1.50 H new ATOM 370 N LYS A 22 135.344 0.800 5.705 1.00 0.33 N ATOM 371 CA LYS A 22 136.576 0.965 6.475 1.00 0.41 C ATOM 372 C LYS A 22 136.621 2.339 7.144 1.00 0.34 C ATOM 373 O LYS A 22 136.893 2.445 8.342 1.00 0.36 O ATOM 374 CB LYS A 22 137.802 0.779 5.576 1.00 0.56 C ATOM 375 CG LYS A 22 139.060 0.393 6.338 1.00 0.77 C ATOM 376 CD LYS A 22 140.192 0.009 5.398 1.00 0.95 C ATOM 377 CE LYS A 22 141.341 1.005 5.469 1.00 0.76 C ATOM 378 NZ LYS A 22 142.509 0.459 6.215 1.00 0.71 N ATOM 0 H LYS A 22 135.487 0.510 4.738 1.00 0.33 H new ATOM 0 HA LYS A 22 136.591 0.201 7.252 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.586 0.010 4.834 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.987 1.705 5.031 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.375 1.226 6.966 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.841 -0.442 7.003 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.556 -0.986 5.653 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.816 -0.042 4.376 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.650 1.274 4.459 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.998 1.920 5.952 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.268 1.169 6.239 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.222 0.226 7.187 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.854 -0.400 5.740 1.00 0.71 H new ATOM 392 N ASP A 23 136.351 3.385 6.362 1.00 0.34 N ATOM 393 CA ASP A 23 136.357 4.756 6.871 1.00 0.32 C ATOM 394 C ASP A 23 135.152 5.037 7.778 1.00 0.29 C ATOM 395 O ASP A 23 135.180 5.985 8.564 1.00 0.34 O ATOM 396 CB ASP A 23 136.375 5.748 5.706 1.00 0.37 C ATOM 397 CG ASP A 23 137.714 5.778 4.993 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.922 4.946 4.083 1.00 1.17 O ATOM 399 OD2 ASP A 23 138.556 6.630 5.346 1.00 1.15 O ATOM 0 H ASP A 23 136.125 3.308 5.370 1.00 0.34 H new ATOM 0 HA ASP A 23 137.258 4.879 7.471 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.593 5.483 4.994 1.00 0.37 H new ATOM 0 HB3 ASP A 23 136.142 6.746 6.078 1.00 0.37 H new ATOM 404 N THR A 24 134.105 4.208 7.684 1.00 0.27 N ATOM 405 CA THR A 24 132.909 4.372 8.516 1.00 0.28 C ATOM 406 C THR A 24 133.038 3.580 9.825 1.00 0.27 C ATOM 407 O THR A 24 132.415 3.927 10.830 1.00 0.32 O ATOM 408 CB THR A 24 131.660 3.928 7.735 1.00 0.31 C ATOM 409 OG1 THR A 24 131.279 4.919 6.795 1.00 0.52 O ATOM 410 CG2 THR A 24 130.454 3.643 8.611 1.00 0.53 C ATOM 0 H THR A 24 134.063 3.418 7.040 1.00 0.27 H new ATOM 0 HA THR A 24 132.808 5.427 8.772 1.00 0.28 H new ATOM 0 HB THR A 24 131.952 2.999 7.245 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.484 4.618 6.307 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.615 3.336 7.986 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.695 2.845 9.313 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.185 4.543 9.163 1.00 0.53 H new ATOM 418 N HIS A 25 133.865 2.528 9.812 1.00 0.27 N ATOM 419 CA HIS A 25 134.088 1.707 11.002 1.00 0.31 C ATOM 420 C HIS A 25 135.030 2.429 11.959 1.00 0.33 C ATOM 421 O HIS A 25 134.832 2.407 13.174 1.00 0.43 O ATOM 422 CB HIS A 25 134.662 0.335 10.625 1.00 0.37 C ATOM 423 CG HIS A 25 134.161 -0.791 11.482 1.00 0.38 C ATOM 424 ND1 HIS A 25 133.724 -0.620 12.782 1.00 0.92 N ATOM 425 CD2 HIS A 25 134.028 -2.112 11.216 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.345 -1.787 13.274 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.519 -2.707 12.344 1.00 0.75 N ATOM 0 H HIS A 25 134.389 2.228 8.990 1.00 0.27 H new ATOM 0 HA HIS A 25 133.129 1.546 11.495 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.417 0.123 9.584 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.749 0.375 10.695 1.00 0.37 H new ATOM 0 HD2 HIS A 25 134.276 -2.606 10.288 1.00 0.92 H new ATOM 0 HE1 HIS A 25 132.959 -1.958 14.268 1.00 0.79 H new ATOM 0 HE2 HIS A 25 133.309 -3.700 12.447 1.00 0.75 H new ATOM 436 N ILE A 26 136.040 3.098 11.397 1.00 0.31 N ATOM 437 CA ILE A 26 136.988 3.863 12.199 1.00 0.35 C ATOM 438 C ILE A 26 136.341 5.160 12.698 1.00 0.34 C ATOM 439 O ILE A 26 136.821 5.773 13.652 1.00 0.46 O ATOM 440 CB ILE A 26 138.275 4.204 11.412 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.943 4.987 10.136 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.047 2.935 11.077 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.864 6.164 9.892 1.00 0.68 C ATOM 0 H ILE A 26 136.219 3.123 10.393 1.00 0.31 H new ATOM 0 HA ILE A 26 137.265 3.236 13.047 1.00 0.35 H new ATOM 0 HB ILE A 26 138.903 4.834 12.042 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.995 4.312 9.282 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.916 5.346 10.197 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.950 3.194 10.523 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.321 2.422 11.999 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.424 2.280 10.469 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.571 6.671 8.973 1.00 0.68 H new ATOM 0 HD12 ILE A 26 138.795 6.860 10.728 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.891 5.810 9.799 1.00 0.68 H new ATOM 455 N ARG A 27 135.238 5.564 12.049 1.00 0.29 N ATOM 456 CA ARG A 27 134.513 6.773 12.427 1.00 0.35 C ATOM 457 C ARG A 27 133.474 6.467 13.506 1.00 0.34 C ATOM 458 O ARG A 27 133.284 7.259 14.430 1.00 0.39 O ATOM 459 CB ARG A 27 133.832 7.397 11.204 1.00 0.44 C ATOM 460 CG ARG A 27 133.492 8.869 11.381 1.00 0.52 C ATOM 461 CD ARG A 27 132.035 9.065 11.777 1.00 0.81 C ATOM 462 NE ARG A 27 131.228 9.586 10.673 1.00 0.91 N ATOM 463 CZ ARG A 27 129.893 9.538 10.633 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.205 8.990 11.632 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.244 10.042 9.589 1.00 1.68 N ATOM 0 H ARG A 27 134.832 5.064 11.258 1.00 0.29 H new ATOM 0 HA ARG A 27 135.232 7.486 12.830 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.485 7.285 10.338 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.918 6.845 10.987 1.00 0.44 H new ATOM 0 HG2 ARG A 27 134.138 9.303 12.144 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.692 9.403 10.452 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.620 8.114 12.111 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.979 9.752 12.622 1.00 0.81 H new ATOM 0 HE ARG A 27 131.715 10.012 9.885 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.697 8.602 12.437 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.186 8.958 11.592 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.765 10.464 8.820 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.225 10.007 9.556 1.00 1.68 H new ATOM 479 N GLU A 28 132.809 5.311 13.393 1.00 0.33 N ATOM 480 CA GLU A 28 131.804 4.912 14.378 1.00 0.38 C ATOM 481 C GLU A 28 132.475 4.557 15.705 1.00 0.37 C ATOM 482 O GLU A 28 131.965 4.895 16.775 1.00 0.47 O ATOM 483 CB GLU A 28 130.955 3.740 13.864 1.00 0.48 C ATOM 484 CG GLU A 28 131.743 2.468 13.591 1.00 0.81 C ATOM 485 CD GLU A 28 131.530 1.404 14.652 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.428 0.818 14.692 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.464 1.157 15.441 1.00 1.85 O ATOM 0 H GLU A 28 132.949 4.643 12.635 1.00 0.33 H new ATOM 0 HA GLU A 28 131.134 5.756 14.542 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.177 3.522 14.596 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.452 4.046 12.947 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.453 2.068 12.619 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.804 2.709 13.533 1.00 0.81 H new ATOM 494 N LEU A 29 133.633 3.891 15.627 1.00 0.34 N ATOM 495 CA LEU A 29 134.386 3.511 16.821 1.00 0.38 C ATOM 496 C LEU A 29 135.008 4.741 17.497 1.00 0.42 C ATOM 497 O LEU A 29 135.525 4.646 18.611 1.00 0.80 O ATOM 498 CB LEU A 29 135.477 2.496 16.464 1.00 0.48 C ATOM 499 CG LEU A 29 135.372 1.152 17.192 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.444 -0.002 16.201 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.468 1.027 18.242 1.00 0.58 C ATOM 0 H LEU A 29 134.066 3.606 14.749 1.00 0.34 H new ATOM 0 HA LEU A 29 133.691 3.051 17.524 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.446 2.314 15.390 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.449 2.937 16.685 1.00 0.48 H new ATOM 0 HG LEU A 29 134.407 1.109 17.696 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.368 -0.948 16.738 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.623 0.078 15.489 1.00 0.84 H new ATOM 0 HD13 LEU A 29 136.393 0.036 15.666 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.378 0.066 18.749 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.443 1.093 17.760 1.00 0.58 H new ATOM 0 HD23 LEU A 29 136.368 1.832 18.970 1.00 0.58 H new ATOM 513 N GLU A 30 134.928 5.901 16.830 1.00 0.42 N ATOM 514 CA GLU A 30 135.453 7.146 17.383 1.00 0.46 C ATOM 515 C GLU A 30 134.492 7.701 18.433 1.00 0.46 C ATOM 516 O GLU A 30 134.914 8.354 19.387 1.00 0.61 O ATOM 517 CB GLU A 30 135.684 8.180 16.275 1.00 0.51 C ATOM 518 CG GLU A 30 137.044 8.059 15.607 1.00 0.57 C ATOM 519 CD GLU A 30 138.132 8.804 16.357 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.688 8.233 17.319 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.428 9.958 15.982 1.00 1.24 O ATOM 0 H GLU A 30 134.504 5.997 15.907 1.00 0.42 H new ATOM 0 HA GLU A 30 136.412 6.934 17.857 1.00 0.46 H new ATOM 0 HB2 GLU A 30 134.906 8.071 15.519 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.582 9.180 16.696 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.315 7.006 15.532 1.00 0.57 H new ATOM 0 HG3 GLU A 30 136.980 8.445 14.589 1.00 0.57 H new ATOM 528 N ASP A 31 133.198 7.400 18.267 1.00 0.43 N ATOM 529 CA ASP A 31 132.176 7.831 19.215 1.00 0.58 C ATOM 530 C ASP A 31 132.090 6.837 20.376 1.00 0.59 C ATOM 531 O ASP A 31 131.713 7.199 21.492 1.00 0.78 O ATOM 532 CB ASP A 31 130.815 7.948 18.521 1.00 0.71 C ATOM 533 CG ASP A 31 129.891 8.930 19.218 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.933 10.130 18.876 1.00 1.73 O ATOM 535 OD2 ASP A 31 129.127 8.498 20.107 1.00 1.65 O ATOM 0 H ASP A 31 132.838 6.858 17.481 1.00 0.43 H new ATOM 0 HA ASP A 31 132.451 8.811 19.604 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.963 8.263 17.488 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.341 6.967 18.490 1.00 0.71 H new ATOM 540 N TYR A 32 132.468 5.584 20.097 1.00 0.51 N ATOM 541 CA TYR A 32 132.465 4.527 21.105 1.00 0.56 C ATOM 542 C TYR A 32 133.551 4.789 22.147 1.00 0.55 C ATOM 543 O TYR A 32 133.351 4.548 23.338 1.00 0.64 O ATOM 544 CB TYR A 32 132.680 3.158 20.450 1.00 0.61 C ATOM 545 CG TYR A 32 131.402 2.513 19.958 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.417 2.108 20.852 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.180 2.310 18.601 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.250 1.518 20.407 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.015 1.720 18.150 1.00 1.19 C ATOM 550 CZ TYR A 32 129.053 1.327 19.056 1.00 1.23 C ATOM 551 OH TYR A 32 127.892 0.738 18.610 1.00 1.55 O ATOM 0 H TYR A 32 132.781 5.280 19.175 1.00 0.51 H new ATOM 0 HA TYR A 32 131.494 4.525 21.600 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.367 3.270 19.611 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.160 2.493 21.168 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.567 2.257 21.911 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.930 2.618 17.888 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.495 1.208 21.114 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.859 1.567 17.092 1.00 1.19 H new ATOM 0 HH TYR A 32 127.910 0.678 17.632 1.00 1.55 H new ATOM 561 N ILE A 33 134.696 5.301 21.687 1.00 0.53 N ATOM 562 CA ILE A 33 135.811 5.619 22.574 1.00 0.62 C ATOM 563 C ILE A 33 135.563 6.947 23.289 1.00 0.58 C ATOM 564 O ILE A 33 135.841 7.075 24.483 1.00 0.77 O ATOM 565 CB ILE A 33 137.152 5.696 21.805 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.430 4.374 21.083 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.298 6.037 22.751 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.393 4.507 19.922 1.00 0.85 C ATOM 0 H ILE A 33 134.872 5.503 20.703 1.00 0.53 H new ATOM 0 HA ILE A 33 135.880 4.814 23.306 1.00 0.62 H new ATOM 0 HB ILE A 33 137.075 6.489 21.061 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.833 3.657 21.798 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.488 3.964 20.718 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.231 6.086 22.190 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.107 7.001 23.222 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.377 5.268 23.519 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.542 3.531 19.459 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.983 5.199 19.186 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.349 4.887 20.284 1.00 0.85 H new ATOM 580 N ASP A 34 135.048 7.935 22.541 1.00 0.49 N ATOM 581 CA ASP A 34 134.760 9.272 23.077 1.00 0.54 C ATOM 582 C ASP A 34 134.160 9.226 24.484 1.00 0.44 C ATOM 583 O ASP A 34 134.447 10.093 25.297 1.00 0.47 O ATOM 584 CB ASP A 34 133.817 10.028 22.135 1.00 0.75 C ATOM 585 CG ASP A 34 134.504 11.198 21.452 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.275 10.962 20.498 1.00 1.49 O ATOM 587 OD2 ASP A 34 134.273 12.350 21.874 1.00 1.42 O ATOM 0 H ASP A 34 134.821 7.829 21.552 1.00 0.49 H new ATOM 0 HA ASP A 34 135.713 9.797 23.148 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.435 9.342 21.379 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.958 10.392 22.699 1.00 0.75 H new ATOM 592 N ASN A 35 133.335 8.215 24.766 1.00 0.53 N ATOM 593 CA ASN A 35 132.706 8.060 26.085 1.00 0.57 C ATOM 594 C ASN A 35 133.684 8.410 27.210 1.00 0.47 C ATOM 595 O ASN A 35 133.313 9.073 28.179 1.00 0.58 O ATOM 596 CB ASN A 35 132.188 6.631 26.269 1.00 0.74 C ATOM 597 CG ASN A 35 130.833 6.419 25.618 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.794 6.663 26.231 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.838 5.963 24.369 1.00 1.32 N ATOM 0 H ASN A 35 133.085 7.487 24.097 1.00 0.53 H new ATOM 0 HA ASN A 35 131.865 8.752 26.134 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.906 5.930 25.844 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.116 6.408 27.333 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.957 5.802 23.881 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.723 5.774 23.899 1.00 1.32 H new ATOM 606 N LEU A 36 134.942 7.983 27.057 1.00 0.42 N ATOM 607 CA LEU A 36 135.980 8.275 28.042 1.00 0.47 C ATOM 608 C LEU A 36 136.301 9.771 28.036 1.00 0.42 C ATOM 609 O LEU A 36 136.319 10.415 29.087 1.00 0.53 O ATOM 610 CB LEU A 36 137.251 7.467 27.749 1.00 0.66 C ATOM 611 CG LEU A 36 137.031 5.986 27.422 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.324 5.352 26.929 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.499 5.240 28.638 1.00 1.66 C ATOM 0 H LEU A 36 135.263 7.434 26.259 1.00 0.42 H new ATOM 0 HA LEU A 36 135.609 7.990 29.027 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.771 7.932 26.912 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.912 7.536 28.613 1.00 0.66 H new ATOM 0 HG LEU A 36 136.288 5.917 26.628 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.150 4.300 26.701 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.662 5.867 26.030 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.088 5.434 27.703 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.350 4.190 28.384 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.216 5.317 29.455 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.549 5.677 28.946 1.00 1.66 H new ATOM 625 N LEU A 37 136.533 10.318 26.838 1.00 0.36 N ATOM 626 CA LEU A 37 136.831 11.740 26.677 1.00 0.40 C ATOM 627 C LEU A 37 135.674 12.458 25.968 1.00 0.32 C ATOM 628 O LEU A 37 135.849 13.051 24.899 1.00 0.42 O ATOM 629 CB LEU A 37 138.139 11.922 25.897 1.00 0.56 C ATOM 630 CG LEU A 37 138.198 11.205 24.542 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.764 12.127 23.471 1.00 0.73 C ATOM 632 CD2 LEU A 37 139.027 9.933 24.648 1.00 0.63 C ATOM 0 H LEU A 37 136.519 9.793 25.964 1.00 0.36 H new ATOM 0 HA LEU A 37 136.951 12.184 27.665 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.300 12.988 25.733 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.964 11.566 26.514 1.00 0.56 H new ATOM 0 HG LEU A 37 137.183 10.931 24.254 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.798 11.600 22.518 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.129 13.008 23.376 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.771 12.435 23.751 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.058 9.437 23.678 1.00 0.63 H new ATOM 0 HD22 LEU A 37 140.041 10.184 24.960 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.577 9.265 25.382 1.00 0.63 H new ATOM 644 N VAL A 38 134.490 12.382 26.587 1.00 0.29 N ATOM 645 CA VAL A 38 133.267 13.001 26.071 1.00 0.41 C ATOM 646 C VAL A 38 132.231 13.119 27.197 1.00 0.38 C ATOM 647 O VAL A 38 132.508 12.733 28.336 1.00 0.61 O ATOM 648 CB VAL A 38 132.675 12.218 24.869 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.691 11.147 25.326 1.00 0.97 C ATOM 650 CG2 VAL A 38 132.016 13.173 23.881 1.00 0.99 C ATOM 0 H VAL A 38 134.354 11.885 27.467 1.00 0.29 H new ATOM 0 HA VAL A 38 133.526 13.995 25.707 1.00 0.41 H new ATOM 0 HB VAL A 38 133.498 11.711 24.365 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.297 10.620 24.457 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.201 10.439 25.979 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.870 11.615 25.869 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.607 12.606 23.045 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.213 13.715 24.380 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.757 13.882 23.511 1.00 0.99 H new ATOM 660 N ARG A 39 131.036 13.628 26.889 1.00 0.44 N ATOM 661 CA ARG A 39 129.987 13.753 27.895 1.00 0.47 C ATOM 662 C ARG A 39 129.249 12.420 28.043 1.00 0.53 C ATOM 663 O ARG A 39 128.767 11.854 27.059 1.00 0.86 O ATOM 664 CB ARG A 39 129.028 14.906 27.527 1.00 0.59 C ATOM 665 CG ARG A 39 127.555 14.521 27.386 1.00 0.75 C ATOM 666 CD ARG A 39 126.695 15.198 28.442 1.00 0.97 C ATOM 667 NE ARG A 39 126.566 16.638 28.210 1.00 0.93 N ATOM 668 CZ ARG A 39 125.564 17.387 28.681 1.00 1.00 C ATOM 669 NH1 ARG A 39 124.595 16.839 29.411 1.00 1.27 N ATOM 670 NH2 ARG A 39 125.533 18.689 28.420 1.00 1.48 N ATOM 0 H ARG A 39 130.775 13.957 25.959 1.00 0.44 H new ATOM 0 HA ARG A 39 130.433 13.996 28.860 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.111 15.681 28.289 1.00 0.59 H new ATOM 0 HB3 ARG A 39 129.362 15.346 26.587 1.00 0.59 H new ATOM 0 HG2 ARG A 39 127.199 14.799 26.394 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.452 13.439 27.471 1.00 0.75 H new ATOM 0 HD2 ARG A 39 125.705 14.743 28.448 1.00 0.97 H new ATOM 0 HD3 ARG A 39 127.130 15.028 29.427 1.00 0.97 H new ATOM 0 HE ARG A 39 127.286 17.099 27.654 1.00 0.93 H new ATOM 0 HH11 ARG A 39 124.613 15.840 29.615 1.00 1.27 H new ATOM 0 HH12 ARG A 39 123.834 17.418 29.766 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.273 19.115 27.861 1.00 1.48 H new ATOM 0 HH22 ARG A 39 124.770 19.263 28.778 1.00 1.48 H new ATOM 684 N VAL A 40 129.179 11.918 29.274 1.00 0.46 N ATOM 685 CA VAL A 40 128.509 10.645 29.547 1.00 0.53 C ATOM 686 C VAL A 40 127.113 10.865 30.125 1.00 0.53 C ATOM 687 O VAL A 40 126.905 11.756 30.952 1.00 0.66 O ATOM 688 CB VAL A 40 129.327 9.757 30.513 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.528 9.153 29.800 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.769 10.543 31.741 1.00 0.78 C ATOM 0 H VAL A 40 129.576 12.371 30.097 1.00 0.46 H new ATOM 0 HA VAL A 40 128.424 10.130 28.590 1.00 0.53 H new ATOM 0 HB VAL A 40 128.682 8.945 30.849 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.090 8.532 30.497 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.186 8.542 28.964 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.169 9.952 29.427 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.342 9.893 32.402 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.390 11.383 31.431 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.892 10.916 32.270 1.00 0.78 H new ATOM 700 N MET A 41 126.160 10.045 29.683 1.00 0.53 N ATOM 701 CA MET A 41 124.778 10.143 30.151 1.00 0.60 C ATOM 702 C MET A 41 124.475 9.061 31.183 1.00 0.86 C ATOM 703 O MET A 41 123.865 9.330 32.218 1.00 1.20 O ATOM 704 CB MET A 41 123.803 10.035 28.973 1.00 0.75 C ATOM 705 CG MET A 41 123.935 8.744 28.177 1.00 0.56 C ATOM 706 SD MET A 41 122.531 8.455 27.082 1.00 0.67 S ATOM 707 CE MET A 41 122.886 9.611 25.760 1.00 0.54 C ATOM 0 H MET A 41 126.320 9.304 29.000 1.00 0.53 H new ATOM 0 HA MET A 41 124.651 11.116 30.625 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.783 10.115 29.350 1.00 0.75 H new ATOM 0 HB3 MET A 41 123.963 10.880 28.304 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.850 8.778 27.586 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.032 7.905 28.866 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.104 9.550 25.003 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.923 10.623 26.162 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.847 9.364 25.309 1.00 0.54 H new TER 717 MET A 41 ATOM 718 N GLY B 1 135.035 4.490 -27.690 1.00 0.61 N ATOM 719 CA GLY B 1 136.488 4.180 -27.830 1.00 0.61 C ATOM 720 C GLY B 1 136.882 2.885 -27.142 1.00 0.52 C ATOM 721 O GLY B 1 136.814 1.812 -27.743 1.00 0.60 O ATOM 0 H1 GLY B 1 134.822 5.383 -28.178 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.474 3.723 -28.112 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.795 4.580 -26.682 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.741 4.115 -28.888 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.072 5.000 -27.412 1.00 0.61 H new ATOM 727 N SER B 2 137.296 2.989 -25.879 1.00 0.50 N ATOM 728 CA SER B 2 137.707 1.819 -25.100 1.00 0.49 C ATOM 729 C SER B 2 136.965 1.756 -23.767 1.00 0.47 C ATOM 730 O SER B 2 137.521 1.313 -22.761 1.00 0.63 O ATOM 731 CB SER B 2 139.224 1.841 -24.862 1.00 0.55 C ATOM 732 OG SER B 2 139.912 2.433 -25.954 1.00 0.67 O ATOM 0 H SER B 2 137.356 3.872 -25.372 1.00 0.50 H new ATOM 0 HA SER B 2 137.452 0.928 -25.673 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.442 2.395 -23.949 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.585 0.824 -24.711 1.00 0.55 H new ATOM 0 HG SER B 2 140.875 2.434 -25.772 1.00 0.67 H new ATOM 738 N LEU B 3 135.696 2.173 -23.772 1.00 0.48 N ATOM 739 CA LEU B 3 134.870 2.133 -22.567 1.00 0.55 C ATOM 740 C LEU B 3 134.180 0.775 -22.467 1.00 0.65 C ATOM 741 O LEU B 3 132.959 0.681 -22.329 1.00 1.02 O ATOM 742 CB LEU B 3 133.838 3.266 -22.581 1.00 0.62 C ATOM 743 CG LEU B 3 134.333 4.600 -22.016 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.317 5.258 -22.974 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.158 5.526 -21.732 1.00 0.76 C ATOM 0 H LEU B 3 135.221 2.541 -24.596 1.00 0.48 H new ATOM 0 HA LEU B 3 135.507 2.273 -21.694 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.508 3.424 -23.608 1.00 0.62 H new ATOM 0 HB3 LEU B 3 132.965 2.949 -22.011 1.00 0.62 H new ATOM 0 HG LEU B 3 134.852 4.405 -21.078 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.656 6.205 -22.553 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.173 4.600 -23.125 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.827 5.441 -23.930 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.527 6.470 -21.331 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.611 5.714 -22.656 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.493 5.058 -21.006 1.00 0.76 H new ATOM 757 N THR B 4 134.990 -0.278 -22.554 1.00 0.46 N ATOM 758 CA THR B 4 134.508 -1.649 -22.494 1.00 0.55 C ATOM 759 C THR B 4 135.398 -2.472 -21.563 1.00 0.42 C ATOM 760 O THR B 4 136.069 -1.916 -20.697 1.00 0.43 O ATOM 761 CB THR B 4 134.483 -2.252 -23.905 1.00 0.72 C ATOM 762 OG1 THR B 4 135.773 -2.217 -24.491 1.00 0.70 O ATOM 763 CG2 THR B 4 133.533 -1.538 -24.845 1.00 0.90 C ATOM 0 H THR B 4 136.001 -0.200 -22.668 1.00 0.46 H new ATOM 0 HA THR B 4 133.493 -1.662 -22.096 1.00 0.55 H new ATOM 0 HB THR B 4 134.138 -3.277 -23.773 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.735 -2.608 -25.389 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.564 -2.015 -25.825 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.519 -1.591 -24.448 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.831 -0.494 -24.940 1.00 0.90 H new ATOM 771 N TYR B 5 135.376 -3.794 -21.722 1.00 0.50 N ATOM 772 CA TYR B 5 136.160 -4.710 -20.884 1.00 0.45 C ATOM 773 C TYR B 5 137.591 -4.225 -20.612 1.00 0.41 C ATOM 774 O TYR B 5 138.110 -4.436 -19.515 1.00 0.46 O ATOM 775 CB TYR B 5 136.209 -6.088 -21.544 1.00 0.57 C ATOM 776 CG TYR B 5 136.744 -7.181 -20.644 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.010 -7.637 -19.556 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.985 -7.756 -20.884 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.496 -8.634 -18.734 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.478 -8.754 -20.066 1.00 0.92 C ATOM 781 CZ TYR B 5 137.731 -9.190 -18.993 1.00 0.67 C ATOM 782 OH TYR B 5 138.219 -10.183 -18.176 1.00 0.84 O ATOM 0 H TYR B 5 134.816 -4.264 -22.434 1.00 0.50 H new ATOM 0 HA TYR B 5 135.657 -4.755 -19.918 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.205 -6.359 -21.871 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.831 -6.030 -22.438 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.042 -7.204 -19.350 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.574 -7.418 -21.724 1.00 0.80 H new ATOM 0 HE1 TYR B 5 135.912 -8.977 -17.893 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.445 -9.191 -20.267 1.00 0.92 H new ATOM 0 HH TYR B 5 139.100 -10.467 -18.497 1.00 0.84 H new ATOM 792 N GLU B 6 138.235 -3.587 -21.596 1.00 0.49 N ATOM 793 CA GLU B 6 139.607 -3.098 -21.421 1.00 0.50 C ATOM 794 C GLU B 6 139.667 -1.852 -20.530 1.00 0.38 C ATOM 795 O GLU B 6 140.735 -1.495 -20.029 1.00 0.44 O ATOM 796 CB GLU B 6 140.233 -2.784 -22.783 1.00 0.62 C ATOM 797 CG GLU B 6 141.061 -3.926 -23.354 1.00 0.68 C ATOM 798 CD GLU B 6 142.518 -3.551 -23.545 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.265 -3.537 -22.544 1.00 1.01 O ATOM 800 OE2 GLU B 6 142.913 -3.270 -24.697 1.00 1.14 O ATOM 0 H GLU B 6 137.832 -3.398 -22.514 1.00 0.49 H new ATOM 0 HA GLU B 6 140.170 -3.889 -20.927 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.440 -2.534 -23.488 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.865 -1.901 -22.688 1.00 0.62 H new ATOM 0 HG2 GLU B 6 140.995 -4.786 -22.688 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.640 -4.232 -24.312 1.00 0.68 H new ATOM 807 N GLU B 7 138.518 -1.206 -20.321 1.00 0.32 N ATOM 808 CA GLU B 7 138.444 -0.015 -19.479 1.00 0.29 C ATOM 809 C GLU B 7 138.398 -0.402 -18.005 1.00 0.27 C ATOM 810 O GLU B 7 139.096 0.189 -17.178 1.00 0.43 O ATOM 811 CB GLU B 7 137.212 0.822 -19.834 1.00 0.43 C ATOM 812 CG GLU B 7 137.478 2.320 -19.853 1.00 0.57 C ATOM 813 CD GLU B 7 137.113 2.994 -18.544 1.00 0.72 C ATOM 814 OE1 GLU B 7 137.936 2.954 -17.605 1.00 0.80 O ATOM 815 OE2 GLU B 7 136.003 3.560 -18.458 1.00 1.00 O ATOM 0 H GLU B 7 137.626 -1.490 -20.725 1.00 0.32 H new ATOM 0 HA GLU B 7 139.338 0.581 -19.660 1.00 0.29 H new ATOM 0 HB2 GLU B 7 136.844 0.514 -20.813 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.420 0.611 -19.115 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.533 2.495 -20.066 1.00 0.57 H new ATOM 0 HG3 GLU B 7 136.909 2.776 -20.663 1.00 0.57 H new ATOM 822 N VAL B 8 137.577 -1.404 -17.683 1.00 0.35 N ATOM 823 CA VAL B 8 137.444 -1.880 -16.311 1.00 0.37 C ATOM 824 C VAL B 8 138.663 -2.710 -15.899 1.00 0.28 C ATOM 825 O VAL B 8 139.086 -2.665 -14.744 1.00 0.40 O ATOM 826 CB VAL B 8 136.152 -2.709 -16.130 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.247 -4.039 -16.865 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.848 -2.923 -14.653 1.00 0.78 C ATOM 0 H VAL B 8 136.995 -1.900 -18.358 1.00 0.35 H new ATOM 0 HA VAL B 8 137.384 -1.004 -15.665 1.00 0.37 H new ATOM 0 HB VAL B 8 135.328 -2.145 -16.567 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.325 -4.601 -16.720 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.398 -3.857 -17.929 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.087 -4.612 -16.472 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.934 -3.509 -14.551 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.675 -3.456 -14.185 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.716 -1.957 -14.165 1.00 0.78 H new ATOM 838 N LEU B 9 139.225 -3.465 -16.853 1.00 0.35 N ATOM 839 CA LEU B 9 140.401 -4.298 -16.589 1.00 0.49 C ATOM 840 C LEU B 9 141.517 -3.468 -15.958 1.00 0.52 C ATOM 841 O LEU B 9 141.997 -3.787 -14.868 1.00 0.74 O ATOM 842 CB LEU B 9 140.904 -4.946 -17.885 1.00 0.65 C ATOM 843 CG LEU B 9 140.589 -6.436 -18.037 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.047 -6.938 -19.398 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.244 -7.243 -16.922 1.00 0.76 C ATOM 0 H LEU B 9 138.883 -3.514 -17.813 1.00 0.35 H new ATOM 0 HA LEU B 9 140.109 -5.083 -15.892 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.471 -4.412 -18.731 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.984 -4.812 -17.943 1.00 0.65 H new ATOM 0 HG LEU B 9 139.509 -6.568 -17.963 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.816 -7.999 -19.491 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.531 -6.384 -20.182 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.122 -6.791 -19.497 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.007 -8.299 -17.050 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.325 -7.106 -16.961 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.869 -6.901 -15.957 1.00 0.76 H new ATOM 857 N GLN B 10 141.914 -2.393 -16.646 1.00 0.41 N ATOM 858 CA GLN B 10 142.961 -1.501 -16.150 1.00 0.48 C ATOM 859 C GLN B 10 142.507 -0.760 -14.888 1.00 0.42 C ATOM 860 O GLN B 10 143.332 -0.246 -14.132 1.00 0.48 O ATOM 861 CB GLN B 10 143.360 -0.494 -17.234 1.00 0.58 C ATOM 862 CG GLN B 10 144.632 -0.872 -17.977 1.00 0.66 C ATOM 863 CD GLN B 10 145.887 -0.414 -17.256 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.481 -1.166 -16.484 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.296 0.827 -17.504 1.00 0.83 N ATOM 0 H GLN B 10 141.524 -2.121 -17.549 1.00 0.41 H new ATOM 0 HA GLN B 10 143.827 -2.112 -15.893 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.544 -0.402 -17.951 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.494 0.486 -16.776 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.666 -1.954 -18.105 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.610 -0.433 -18.975 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.773 1.417 -18.152 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.133 1.189 -17.047 1.00 0.83 H new ATOM 874 N GLU B 11 141.190 -0.708 -14.664 1.00 0.40 N ATOM 875 CA GLU B 11 140.635 -0.038 -13.495 1.00 0.42 C ATOM 876 C GLU B 11 140.890 -0.849 -12.225 1.00 0.37 C ATOM 877 O GLU B 11 141.474 -0.333 -11.271 1.00 0.54 O ATOM 878 CB GLU B 11 139.131 0.198 -13.673 1.00 0.48 C ATOM 879 CG GLU B 11 138.712 1.645 -13.473 1.00 0.62 C ATOM 880 CD GLU B 11 137.293 1.775 -12.955 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.354 1.735 -13.779 1.00 1.61 O ATOM 882 OE2 GLU B 11 137.119 1.916 -11.726 1.00 1.53 O ATOM 0 H GLU B 11 140.492 -1.124 -15.281 1.00 0.40 H new ATOM 0 HA GLU B 11 141.134 0.926 -13.394 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.838 -0.121 -14.673 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.588 -0.429 -12.966 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.396 2.124 -12.772 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.800 2.179 -14.419 1.00 0.62 H new ATOM 889 N LEU B 12 140.443 -2.116 -12.206 1.00 0.32 N ATOM 890 CA LEU B 12 140.616 -2.991 -11.042 1.00 0.30 C ATOM 891 C LEU B 12 142.043 -2.965 -10.499 1.00 0.28 C ATOM 892 O LEU B 12 142.238 -2.811 -9.293 1.00 0.36 O ATOM 893 CB LEU B 12 140.226 -4.432 -11.407 1.00 0.32 C ATOM 894 CG LEU B 12 139.678 -5.286 -10.255 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.743 -5.509 -9.192 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.440 -4.640 -9.648 1.00 0.54 C ATOM 0 H LEU B 12 139.958 -2.555 -12.988 1.00 0.32 H new ATOM 0 HA LEU B 12 139.961 -2.614 -10.256 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.476 -4.397 -12.197 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.102 -4.932 -11.821 1.00 0.32 H new ATOM 0 HG LEU B 12 139.394 -6.258 -10.659 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.331 -6.117 -8.386 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.596 -6.023 -9.634 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.066 -4.547 -8.793 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.068 -5.261 -8.833 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.696 -3.653 -9.263 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.669 -4.543 -10.412 1.00 0.54 H new ATOM 908 N VAL B 13 143.041 -3.113 -11.380 1.00 0.25 N ATOM 909 CA VAL B 13 144.436 -3.096 -10.940 1.00 0.26 C ATOM 910 C VAL B 13 144.722 -1.819 -10.148 1.00 0.22 C ATOM 911 O VAL B 13 145.148 -1.892 -8.998 1.00 0.26 O ATOM 912 CB VAL B 13 145.443 -3.253 -12.111 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.221 -2.207 -13.194 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.877 -3.202 -11.597 1.00 0.52 C ATOM 0 H VAL B 13 142.910 -3.243 -12.383 1.00 0.25 H new ATOM 0 HA VAL B 13 144.578 -3.963 -10.295 1.00 0.26 H new ATOM 0 HB VAL B 13 145.269 -4.230 -12.563 1.00 0.33 H new ATOM 0 HG11 VAL B 13 145.946 -2.352 -13.994 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.213 -2.307 -13.595 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.345 -1.211 -12.769 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.567 -3.314 -12.433 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.054 -2.245 -11.106 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.037 -4.011 -10.884 1.00 0.52 H new ATOM 924 N LYS B 14 144.486 -0.654 -10.764 1.00 0.24 N ATOM 925 CA LYS B 14 144.713 0.637 -10.110 1.00 0.25 C ATOM 926 C LYS B 14 144.102 0.681 -8.707 1.00 0.22 C ATOM 927 O LYS B 14 144.697 1.239 -7.785 1.00 0.29 O ATOM 928 CB LYS B 14 144.120 1.758 -10.968 1.00 0.34 C ATOM 929 CG LYS B 14 144.694 3.131 -10.667 1.00 0.87 C ATOM 930 CD LYS B 14 144.093 4.196 -11.571 1.00 0.75 C ATOM 931 CE LYS B 14 145.079 5.324 -11.835 1.00 0.70 C ATOM 932 NZ LYS B 14 144.686 6.147 -13.014 1.00 0.72 N ATOM 0 H LYS B 14 144.136 -0.581 -11.719 1.00 0.24 H new ATOM 0 HA LYS B 14 145.789 0.775 -10.007 1.00 0.25 H new ATOM 0 HB2 LYS B 14 144.290 1.526 -12.019 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.041 1.785 -10.818 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.502 3.386 -9.625 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.776 3.111 -10.796 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.793 3.745 -12.517 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.192 4.600 -11.110 1.00 0.75 H new ATOM 0 HE2 LYS B 14 145.144 5.962 -10.954 1.00 0.70 H new ATOM 0 HE3 LYS B 14 146.072 4.906 -12.000 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 145.385 6.904 -13.158 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.649 5.545 -13.861 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.750 6.568 -12.847 1.00 0.72 H new ATOM 946 N HIS B 15 142.916 0.084 -8.549 1.00 0.24 N ATOM 947 CA HIS B 15 142.234 0.053 -7.254 1.00 0.27 C ATOM 948 C HIS B 15 142.985 -0.835 -6.262 1.00 0.25 C ATOM 949 O HIS B 15 143.094 -0.503 -5.081 1.00 0.45 O ATOM 950 CB HIS B 15 140.798 -0.455 -7.417 1.00 0.33 C ATOM 951 CG HIS B 15 139.864 0.554 -8.012 1.00 0.47 C ATOM 952 ND1 HIS B 15 140.013 1.382 -9.073 1.00 0.85 N flip ATOM 953 CD2 HIS B 15 138.602 0.797 -7.513 1.00 0.74 C flip ATOM 954 CE1 HIS B 15 138.850 2.102 -9.193 1.00 0.89 C flip ATOM 955 NE2 HIS B 15 138.015 1.730 -8.241 1.00 0.76 N flip ATOM 0 H HIS B 15 142.410 -0.383 -9.302 1.00 0.24 H new ATOM 0 HA HIS B 15 142.211 1.070 -6.864 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.806 -1.344 -8.047 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.417 -0.759 -6.442 1.00 0.33 H new ATOM 0 HD1 HIS B 15 140.836 1.457 -9.671 1.00 0.85 H new ATOM 0 HD2 HIS B 15 138.162 0.302 -6.660 1.00 0.74 H new ATOM 0 HE1 HIS B 15 138.651 2.851 -9.945 1.00 0.89 H new ATOM 964 N LYS B 16 143.512 -1.957 -6.758 1.00 0.21 N ATOM 965 CA LYS B 16 144.267 -2.890 -5.925 1.00 0.27 C ATOM 966 C LYS B 16 145.632 -2.305 -5.564 1.00 0.36 C ATOM 967 O LYS B 16 146.051 -2.362 -4.406 1.00 0.69 O ATOM 968 CB LYS B 16 144.441 -4.231 -6.643 1.00 0.35 C ATOM 969 CG LYS B 16 143.173 -5.070 -6.683 1.00 0.46 C ATOM 970 CD LYS B 16 143.413 -6.414 -7.354 1.00 0.49 C ATOM 971 CE LYS B 16 144.174 -7.367 -6.443 1.00 0.53 C ATOM 972 NZ LYS B 16 145.492 -7.758 -7.019 1.00 0.61 N ATOM 0 H LYS B 16 143.428 -2.240 -7.734 1.00 0.21 H new ATOM 0 HA LYS B 16 143.706 -3.057 -5.006 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.777 -4.046 -7.663 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.227 -4.800 -6.147 1.00 0.35 H new ATOM 0 HG2 LYS B 16 142.809 -5.229 -5.668 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.394 -4.528 -7.220 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.457 -6.859 -7.630 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.974 -6.266 -8.277 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.328 -6.895 -5.473 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.574 -8.261 -6.271 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.977 -8.407 -6.367 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.345 -8.232 -7.933 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.075 -6.908 -7.159 1.00 0.61 H new ATOM 986 N GLU B 17 146.317 -1.737 -6.562 1.00 0.30 N ATOM 987 CA GLU B 17 147.630 -1.134 -6.345 1.00 0.38 C ATOM 988 C GLU B 17 147.520 0.005 -5.334 1.00 0.32 C ATOM 989 O GLU B 17 148.148 -0.040 -4.279 1.00 0.40 O ATOM 990 CB GLU B 17 148.203 -0.626 -7.675 1.00 0.51 C ATOM 991 CG GLU B 17 149.351 0.364 -7.524 1.00 0.80 C ATOM 992 CD GLU B 17 149.115 1.651 -8.295 1.00 1.10 C ATOM 993 OE1 GLU B 17 148.303 2.481 -7.833 1.00 1.49 O ATOM 994 OE2 GLU B 17 149.740 1.828 -9.362 1.00 1.47 O ATOM 0 H GLU B 17 145.983 -1.684 -7.524 1.00 0.30 H new ATOM 0 HA GLU B 17 148.308 -1.888 -5.944 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.549 -1.480 -8.258 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.403 -0.153 -8.245 1.00 0.51 H new ATOM 0 HG2 GLU B 17 149.489 0.597 -6.468 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.274 -0.100 -7.871 1.00 0.80 H new ATOM 1001 N LEU B 18 146.734 1.033 -5.675 1.00 0.32 N ATOM 1002 CA LEU B 18 146.547 2.197 -4.804 1.00 0.34 C ATOM 1003 C LEU B 18 146.359 1.791 -3.340 1.00 0.35 C ATOM 1004 O LEU B 18 146.908 2.433 -2.442 1.00 0.66 O ATOM 1005 CB LEU B 18 145.342 3.022 -5.267 1.00 0.51 C ATOM 1006 CG LEU B 18 145.593 3.912 -6.488 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.299 4.566 -6.947 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.646 4.968 -6.174 1.00 0.75 C ATOM 0 H LEU B 18 146.216 1.081 -6.552 1.00 0.32 H new ATOM 0 HA LEU B 18 147.452 2.800 -4.873 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.522 2.341 -5.496 1.00 0.51 H new ATOM 0 HB3 LEU B 18 145.013 3.651 -4.440 1.00 0.51 H new ATOM 0 HG LEU B 18 145.967 3.286 -7.298 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.497 5.194 -7.815 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.576 3.795 -7.214 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.895 5.178 -6.141 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.811 5.590 -7.054 1.00 0.75 H new ATOM 0 HD22 LEU B 18 146.302 5.591 -5.348 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.580 4.479 -5.895 1.00 0.75 H new ATOM 1020 N LEU B 19 145.591 0.721 -3.101 1.00 0.45 N ATOM 1021 CA LEU B 19 145.345 0.235 -1.742 1.00 0.47 C ATOM 1022 C LEU B 19 146.639 -0.241 -1.080 1.00 0.33 C ATOM 1023 O LEU B 19 146.835 -0.046 0.121 1.00 0.45 O ATOM 1024 CB LEU B 19 144.327 -0.911 -1.765 1.00 0.63 C ATOM 1025 CG LEU B 19 142.936 -0.560 -1.230 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.872 -1.406 -1.915 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.883 -0.747 0.280 1.00 0.96 C ATOM 0 H LEU B 19 145.131 0.177 -3.831 1.00 0.45 H new ATOM 0 HA LEU B 19 144.945 1.065 -1.159 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.225 -1.264 -2.791 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.725 -1.740 -1.180 1.00 0.63 H new ATOM 0 HG LEU B 19 142.734 0.488 -1.452 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.890 -1.143 -1.522 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.895 -1.220 -2.989 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.068 -2.461 -1.725 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.887 -0.493 0.643 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.105 -1.785 0.526 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.619 -0.097 0.753 1.00 0.96 H new ATOM 1039 N ARG B 20 147.518 -0.860 -1.871 1.00 0.35 N ATOM 1040 CA ARG B 20 148.793 -1.360 -1.364 1.00 0.49 C ATOM 1041 C ARG B 20 149.684 -0.214 -0.889 1.00 0.40 C ATOM 1042 O ARG B 20 150.076 -0.185 0.279 1.00 0.49 O ATOM 1043 CB ARG B 20 149.515 -2.189 -2.431 1.00 0.76 C ATOM 1044 CG ARG B 20 149.371 -3.688 -2.226 1.00 0.85 C ATOM 1045 CD ARG B 20 150.034 -4.477 -3.343 1.00 0.96 C ATOM 1046 NE ARG B 20 149.551 -5.858 -3.399 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.322 -6.919 -3.661 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.622 -6.772 -3.910 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.787 -8.135 -3.678 1.00 1.59 N ATOM 0 H ARG B 20 147.368 -1.026 -2.866 1.00 0.35 H new ATOM 0 HA ARG B 20 148.581 -2.003 -0.510 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.124 -1.924 -3.413 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.574 -1.929 -2.429 1.00 0.76 H new ATOM 0 HG2 ARG B 20 149.814 -3.968 -1.270 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.314 -3.948 -2.175 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.842 -3.986 -4.297 1.00 0.96 H new ATOM 0 HD3 ARG B 20 151.114 -4.476 -3.196 1.00 0.96 H new ATOM 0 HE ARG B 20 148.559 -6.022 -3.226 1.00 1.06 H new ATOM 0 HH11 ARG B 20 152.041 -5.842 -3.902 1.00 1.68 H new ATOM 0 HH12 ARG B 20 152.199 -7.589 -4.108 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.792 -8.257 -3.492 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.372 -8.947 -3.877 1.00 1.59 H new ATOM 1063 N ARG B 21 150.012 0.726 -1.789 1.00 0.35 N ATOM 1064 CA ARG B 21 150.864 1.870 -1.446 1.00 0.35 C ATOM 1065 C ARG B 21 150.422 2.546 -0.150 1.00 0.34 C ATOM 1066 O ARG B 21 151.259 2.930 0.664 1.00 0.47 O ATOM 1067 CB ARG B 21 150.853 2.894 -2.588 1.00 0.45 C ATOM 1068 CG ARG B 21 152.238 3.358 -3.009 1.00 0.70 C ATOM 1069 CD ARG B 21 152.318 3.588 -4.512 1.00 0.98 C ATOM 1070 NE ARG B 21 153.112 4.771 -4.847 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.626 6.015 -4.894 1.00 1.25 C ATOM 1072 NH1 ARG B 21 151.346 6.256 -4.618 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.427 7.025 -5.218 1.00 1.53 N ATOM 0 H ARG B 21 149.699 0.714 -2.760 1.00 0.35 H new ATOM 0 HA ARG B 21 151.874 1.489 -1.297 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.349 2.458 -3.450 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.267 3.761 -2.281 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.488 4.280 -2.485 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.977 2.613 -2.714 1.00 0.70 H new ATOM 0 HD2 ARG B 21 152.756 2.711 -4.990 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.312 3.702 -4.915 1.00 0.98 H new ATOM 0 HE ARG B 21 154.101 4.637 -5.058 1.00 0.97 H new ATOM 0 HH11 ARG B 21 150.725 5.487 -4.367 1.00 2.12 H new ATOM 0 HH12 ARG B 21 150.987 7.210 -4.657 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.409 6.849 -5.430 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.059 7.976 -5.255 1.00 1.53 H new ATOM 1087 N LYS B 22 149.107 2.694 0.034 1.00 0.30 N ATOM 1088 CA LYS B 22 148.567 3.327 1.237 1.00 0.36 C ATOM 1089 C LYS B 22 149.131 2.674 2.500 1.00 0.31 C ATOM 1090 O LYS B 22 149.600 3.363 3.407 1.00 0.36 O ATOM 1091 CB LYS B 22 147.037 3.248 1.245 1.00 0.47 C ATOM 1092 CG LYS B 22 146.381 4.307 2.117 1.00 0.69 C ATOM 1093 CD LYS B 22 144.871 4.333 1.931 1.00 0.86 C ATOM 1094 CE LYS B 22 144.144 3.894 3.194 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.525 5.044 3.911 1.00 0.70 N ATOM 0 H LYS B 22 148.400 2.385 -0.633 1.00 0.30 H new ATOM 0 HA LYS B 22 148.867 4.375 1.227 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.670 3.351 0.224 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.734 2.261 1.595 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.615 4.113 3.164 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.795 5.286 1.874 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.554 5.340 1.660 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.594 3.678 1.105 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.371 3.170 2.934 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.845 3.388 3.858 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 143.040 4.701 4.765 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.265 5.723 4.182 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.837 5.512 3.287 1.00 0.70 H new ATOM 1109 N ASP B 23 149.085 1.341 2.544 1.00 0.32 N ATOM 1110 CA ASP B 23 149.593 0.586 3.689 1.00 0.32 C ATOM 1111 C ASP B 23 151.127 0.605 3.755 1.00 0.30 C ATOM 1112 O ASP B 23 151.702 0.344 4.812 1.00 0.37 O ATOM 1113 CB ASP B 23 149.089 -0.858 3.630 1.00 0.36 C ATOM 1114 CG ASP B 23 147.607 -0.965 3.940 1.00 0.75 C ATOM 1115 OD1 ASP B 23 146.791 -0.807 3.007 1.00 1.15 O ATOM 1116 OD2 ASP B 23 147.263 -1.203 5.117 1.00 1.11 O ATOM 0 H ASP B 23 148.700 0.762 1.798 1.00 0.32 H new ATOM 0 HA ASP B 23 149.219 1.067 4.592 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.281 -1.267 2.638 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.651 -1.466 4.339 1.00 0.36 H new ATOM 1121 N THR B 24 151.786 0.925 2.634 1.00 0.28 N ATOM 1122 CA THR B 24 153.250 0.990 2.586 1.00 0.29 C ATOM 1123 C THR B 24 153.752 2.402 2.926 1.00 0.27 C ATOM 1124 O THR B 24 154.878 2.569 3.397 1.00 0.32 O ATOM 1125 CB THR B 24 153.751 0.560 1.197 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.696 -0.851 1.059 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.174 0.992 0.895 1.00 0.55 C ATOM 0 H THR B 24 151.328 1.143 1.749 1.00 0.28 H new ATOM 0 HA THR B 24 153.649 0.305 3.334 1.00 0.29 H new ATOM 0 HB THR B 24 153.086 1.059 0.493 1.00 0.32 H new ATOM 0 HG1 THR B 24 154.017 -1.105 0.169 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.454 0.651 -0.102 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.241 2.079 0.939 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.850 0.556 1.630 1.00 0.55 H new ATOM 1135 N HIS B 25 152.897 3.409 2.710 1.00 0.26 N ATOM 1136 CA HIS B 25 153.246 4.796 3.017 1.00 0.29 C ATOM 1137 C HIS B 25 153.138 5.036 4.519 1.00 0.31 C ATOM 1138 O HIS B 25 153.977 5.717 5.109 1.00 0.41 O ATOM 1139 CB HIS B 25 152.343 5.773 2.256 1.00 0.34 C ATOM 1140 CG HIS B 25 153.045 7.018 1.797 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.157 7.541 2.429 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.786 7.845 0.756 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.547 8.633 1.797 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.733 8.839 0.779 1.00 0.74 N ATOM 0 H HIS B 25 151.961 3.287 2.324 1.00 0.26 H new ATOM 0 HA HIS B 25 154.274 4.971 2.698 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.923 5.264 1.389 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.507 6.054 2.897 1.00 0.34 H new ATOM 0 HD2 HIS B 25 151.984 7.742 0.041 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.389 9.252 2.067 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.797 9.612 0.116 1.00 0.74 H new ATOM 1153 N ILE B 26 152.115 4.442 5.138 1.00 0.29 N ATOM 1154 CA ILE B 26 151.922 4.561 6.580 1.00 0.35 C ATOM 1155 C ILE B 26 152.939 3.692 7.328 1.00 0.35 C ATOM 1156 O ILE B 26 153.186 3.900 8.516 1.00 0.47 O ATOM 1157 CB ILE B 26 150.493 4.157 7.011 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.176 2.722 6.574 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.469 5.130 6.441 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.487 1.902 7.644 1.00 0.68 C ATOM 0 H ILE B 26 151.411 3.876 4.663 1.00 0.29 H new ATOM 0 HA ILE B 26 152.070 5.610 6.835 1.00 0.35 H new ATOM 0 HB ILE B 26 150.441 4.199 8.099 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.543 2.752 5.687 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.103 2.225 6.287 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.469 4.831 6.754 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.678 6.135 6.808 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.526 5.122 5.353 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.293 0.898 7.265 1.00 0.68 H new ATOM 0 HD12 ILE B 26 150.127 1.840 8.524 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.543 2.376 7.914 1.00 0.68 H new ATOM 1172 N ARG B 27 153.538 2.726 6.615 1.00 0.31 N ATOM 1173 CA ARG B 27 154.538 1.836 7.197 1.00 0.37 C ATOM 1174 C ARG B 27 155.936 2.447 7.089 1.00 0.34 C ATOM 1175 O ARG B 27 156.739 2.333 8.015 1.00 0.39 O ATOM 1176 CB ARG B 27 154.508 0.468 6.508 1.00 0.46 C ATOM 1177 CG ARG B 27 155.126 -0.646 7.339 1.00 0.53 C ATOM 1178 CD ARG B 27 156.562 -0.928 6.921 1.00 0.80 C ATOM 1179 NE ARG B 27 156.684 -2.179 6.171 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.736 -2.498 5.412 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.764 -1.661 5.293 1.00 1.21 N ATOM 1182 NH2 ARG B 27 157.760 -3.662 4.771 1.00 1.67 N ATOM 0 H ARG B 27 153.342 2.546 5.630 1.00 0.31 H new ATOM 0 HA ARG B 27 154.298 1.703 8.252 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.474 0.208 6.279 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.037 0.537 5.558 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.101 -0.371 8.393 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.531 -1.553 7.232 1.00 0.53 H new ATOM 0 HD2 ARG B 27 156.930 -0.103 6.311 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.194 -0.975 7.808 1.00 0.80 H new ATOM 0 HE ARG B 27 155.918 -2.849 6.232 1.00 0.90 H new ATOM 0 HH11 ARG B 27 158.753 -0.767 5.784 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.563 -1.914 4.711 1.00 1.21 H new ATOM 0 HH21 ARG B 27 156.976 -4.309 4.859 1.00 1.67 H new ATOM 0 HH22 ARG B 27 158.562 -3.908 4.191 1.00 1.67 H new ATOM 1196 N GLU B 28 156.221 3.105 5.959 1.00 0.33 N ATOM 1197 CA GLU B 28 157.523 3.740 5.756 1.00 0.36 C ATOM 1198 C GLU B 28 157.666 4.963 6.663 1.00 0.35 C ATOM 1199 O GLU B 28 158.736 5.204 7.224 1.00 0.44 O ATOM 1200 CB GLU B 28 157.730 4.128 4.284 1.00 0.47 C ATOM 1201 CG GLU B 28 156.727 5.143 3.758 1.00 0.78 C ATOM 1202 CD GLU B 28 157.320 6.532 3.608 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.140 6.733 2.686 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.964 7.420 4.410 1.00 1.79 O ATOM 0 H GLU B 28 155.572 3.210 5.179 1.00 0.33 H new ATOM 0 HA GLU B 28 158.296 3.018 6.020 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.735 4.532 4.165 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.674 3.228 3.672 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.350 4.807 2.792 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.874 5.188 4.435 1.00 0.78 H new ATOM 1211 N LEU B 29 156.572 5.717 6.821 1.00 0.33 N ATOM 1212 CA LEU B 29 156.567 6.898 7.683 1.00 0.38 C ATOM 1213 C LEU B 29 156.640 6.503 9.167 1.00 0.42 C ATOM 1214 O LEU B 29 156.830 7.360 10.031 1.00 0.79 O ATOM 1215 CB LEU B 29 155.315 7.742 7.424 1.00 0.46 C ATOM 1216 CG LEU B 29 155.586 9.178 6.965 1.00 0.47 C ATOM 1217 CD1 LEU B 29 154.782 9.502 5.715 1.00 0.82 C ATOM 1218 CD2 LEU B 29 155.266 10.164 8.081 1.00 0.59 C ATOM 0 H LEU B 29 155.681 5.528 6.362 1.00 0.33 H new ATOM 0 HA LEU B 29 157.450 7.490 7.445 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.709 7.243 6.668 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.722 7.774 8.338 1.00 0.46 H new ATOM 0 HG LEU B 29 156.645 9.267 6.721 1.00 0.47 H new ATOM 0 HD11 LEU B 29 154.988 10.526 5.405 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.062 8.817 4.915 1.00 0.82 H new ATOM 0 HD13 LEU B 29 153.718 9.395 5.929 1.00 0.82 H new ATOM 0 HD21 LEU B 29 155.464 11.179 7.737 1.00 0.59 H new ATOM 0 HD22 LEU B 29 154.215 10.073 8.357 1.00 0.59 H new ATOM 0 HD23 LEU B 29 155.889 9.946 8.949 1.00 0.59 H new ATOM 1230 N GLU B 30 156.527 5.198 9.448 1.00 0.43 N ATOM 1231 CA GLU B 30 156.617 4.693 10.815 1.00 0.45 C ATOM 1232 C GLU B 30 158.078 4.643 11.261 1.00 0.44 C ATOM 1233 O GLU B 30 158.378 4.807 12.444 1.00 0.58 O ATOM 1234 CB GLU B 30 155.979 3.305 10.928 1.00 0.51 C ATOM 1235 CG GLU B 30 154.481 3.346 11.184 1.00 0.58 C ATOM 1236 CD GLU B 30 154.142 3.484 12.656 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.137 4.628 13.159 1.00 1.35 O ATOM 1238 OE2 GLU B 30 153.883 2.450 13.305 1.00 1.26 O ATOM 0 H GLU B 30 156.373 4.477 8.743 1.00 0.43 H new ATOM 0 HA GLU B 30 156.070 5.372 11.469 1.00 0.45 H new ATOM 0 HB2 GLU B 30 156.168 2.751 10.008 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.463 2.756 11.736 1.00 0.51 H new ATOM 0 HG2 GLU B 30 154.046 4.181 10.635 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.025 2.436 10.794 1.00 0.58 H new ATOM 1245 N ASP B 31 158.985 4.455 10.295 1.00 0.41 N ATOM 1246 CA ASP B 31 160.418 4.427 10.573 1.00 0.55 C ATOM 1247 C ASP B 31 160.975 5.854 10.591 1.00 0.57 C ATOM 1248 O ASP B 31 161.967 6.137 11.266 1.00 0.76 O ATOM 1249 CB ASP B 31 161.151 3.589 9.521 1.00 0.69 C ATOM 1250 CG ASP B 31 162.453 3.012 10.044 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.426 1.898 10.607 1.00 1.74 O ATOM 1252 OD2 ASP B 31 163.501 3.676 9.892 1.00 1.66 O ATOM 0 H ASP B 31 158.747 4.320 9.312 1.00 0.41 H new ATOM 0 HA ASP B 31 160.575 3.971 11.551 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.503 2.776 9.192 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.356 4.207 8.647 1.00 0.69 H new ATOM 1257 N TYR B 32 160.304 6.748 9.856 1.00 0.49 N ATOM 1258 CA TYR B 32 160.696 8.153 9.791 1.00 0.56 C ATOM 1259 C TYR B 32 160.443 8.834 11.135 1.00 0.56 C ATOM 1260 O TYR B 32 161.235 9.669 11.575 1.00 0.67 O ATOM 1261 CB TYR B 32 159.929 8.875 8.679 1.00 0.60 C ATOM 1262 CG TYR B 32 160.584 8.764 7.319 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.816 9.355 7.070 1.00 1.15 C ATOM 1264 CD2 TYR B 32 159.969 8.068 6.284 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.417 9.257 5.829 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.564 7.966 5.041 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.787 8.561 4.819 1.00 1.21 C ATOM 1268 OH TYR B 32 162.382 8.463 3.582 1.00 1.53 O ATOM 0 H TYR B 32 159.483 6.518 9.296 1.00 0.49 H new ATOM 0 HA TYR B 32 161.761 8.204 9.565 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.920 8.467 8.621 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.832 9.929 8.941 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.313 9.900 7.859 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.011 7.600 6.454 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.375 9.723 5.651 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.073 7.423 4.247 1.00 1.17 H new ATOM 0 HH TYR B 32 161.809 7.939 2.984 1.00 1.53 H new ATOM 1278 N ILE B 33 159.341 8.455 11.788 1.00 0.54 N ATOM 1279 CA ILE B 33 158.988 9.009 13.092 1.00 0.64 C ATOM 1280 C ILE B 33 159.808 8.344 14.198 1.00 0.58 C ATOM 1281 O ILE B 33 160.272 9.016 15.119 1.00 0.78 O ATOM 1282 CB ILE B 33 157.481 8.833 13.399 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.632 9.496 12.310 1.00 0.84 C ATOM 1284 CG2 ILE B 33 157.139 9.412 14.768 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.222 8.951 12.225 1.00 0.87 C ATOM 0 H ILE B 33 158.679 7.766 11.432 1.00 0.54 H new ATOM 0 HA ILE B 33 159.213 10.075 13.059 1.00 0.64 H new ATOM 0 HB ILE B 33 157.256 7.766 13.412 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.587 10.569 12.499 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.123 9.362 11.346 1.00 0.84 H new ATOM 0 HG21 ILE B 33 156.075 9.278 14.964 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.717 8.897 15.535 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.380 10.475 14.784 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.680 9.467 11.433 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.257 7.884 12.005 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.713 9.109 13.176 1.00 0.87 H new ATOM 1297 N ASP B 34 159.970 7.016 14.097 1.00 0.46 N ATOM 1298 CA ASP B 34 160.726 6.229 15.081 1.00 0.50 C ATOM 1299 C ASP B 34 161.997 6.940 15.557 1.00 0.40 C ATOM 1300 O ASP B 34 162.367 6.814 16.715 1.00 0.45 O ATOM 1301 CB ASP B 34 161.086 4.859 14.498 1.00 0.69 C ATOM 1302 CG ASP B 34 160.341 3.728 15.185 1.00 0.82 C ATOM 1303 OD1 ASP B 34 159.141 3.543 14.892 1.00 1.46 O ATOM 1304 OD2 ASP B 34 160.958 3.031 16.018 1.00 1.34 O ATOM 0 H ASP B 34 159.582 6.460 13.335 1.00 0.46 H new ATOM 0 HA ASP B 34 160.080 6.105 15.950 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.857 4.848 13.432 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.159 4.696 14.595 1.00 0.69 H new ATOM 1309 N ASN B 35 162.654 7.681 14.661 1.00 0.52 N ATOM 1310 CA ASN B 35 163.880 8.416 15.002 1.00 0.58 C ATOM 1311 C ASN B 35 163.774 9.053 16.391 1.00 0.49 C ATOM 1312 O ASN B 35 164.729 9.020 17.169 1.00 0.61 O ATOM 1313 CB ASN B 35 164.167 9.496 13.954 1.00 0.78 C ATOM 1314 CG ASN B 35 164.865 8.939 12.727 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.092 8.853 12.685 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.086 8.558 11.720 1.00 1.31 N ATOM 0 H ASN B 35 162.358 7.789 13.691 1.00 0.52 H new ATOM 0 HA ASN B 35 164.704 7.702 15.013 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.230 9.966 13.654 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.786 10.275 14.399 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.501 8.177 10.870 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.073 8.647 11.797 1.00 1.31 H new ATOM 1323 N LEU B 36 162.598 9.605 16.703 1.00 0.44 N ATOM 1324 CA LEU B 36 162.357 10.219 18.008 1.00 0.51 C ATOM 1325 C LEU B 36 162.341 9.144 19.097 1.00 0.47 C ATOM 1326 O LEU B 36 163.022 9.270 20.116 1.00 0.59 O ATOM 1327 CB LEU B 36 161.027 10.985 18.011 1.00 0.71 C ATOM 1328 CG LEU B 36 160.778 11.879 16.791 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.348 12.400 16.796 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.769 13.035 16.759 1.00 1.64 C ATOM 0 H LEU B 36 161.800 9.638 16.069 1.00 0.44 H new ATOM 0 HA LEU B 36 163.163 10.924 18.210 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.213 10.264 18.084 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.986 11.604 18.907 1.00 0.71 H new ATOM 0 HG LEU B 36 160.924 11.280 15.892 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.188 13.033 15.923 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.654 11.560 16.767 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.176 12.981 17.702 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.574 13.657 15.885 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.658 13.634 17.663 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.784 12.642 16.706 1.00 1.64 H new ATOM 1342 N LEU B 37 161.572 8.077 18.858 1.00 0.41 N ATOM 1343 CA LEU B 37 161.475 6.962 19.798 1.00 0.48 C ATOM 1344 C LEU B 37 162.119 5.700 19.210 1.00 0.41 C ATOM 1345 O LEU B 37 161.459 4.672 19.042 1.00 0.54 O ATOM 1346 CB LEU B 37 160.004 6.691 20.148 1.00 0.65 C ATOM 1347 CG LEU B 37 159.078 6.461 18.946 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.170 5.263 19.188 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.254 7.709 18.661 1.00 0.69 C ATOM 0 H LEU B 37 161.006 7.964 18.017 1.00 0.41 H new ATOM 0 HA LEU B 37 162.012 7.231 20.708 1.00 0.48 H new ATOM 0 HB2 LEU B 37 159.957 5.815 20.796 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.623 7.534 20.724 1.00 0.65 H new ATOM 0 HG LEU B 37 159.696 6.250 18.073 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.522 5.117 18.324 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.778 4.371 19.340 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.560 5.442 20.073 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.603 7.528 17.806 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.647 7.952 19.534 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.921 8.542 18.440 1.00 0.69 H new ATOM 1361 N VAL B 38 163.413 5.786 18.888 1.00 0.36 N ATOM 1362 CA VAL B 38 164.142 4.656 18.307 1.00 0.49 C ATOM 1363 C VAL B 38 163.902 3.376 19.112 1.00 0.67 C ATOM 1364 O VAL B 38 163.657 3.432 20.316 1.00 1.35 O ATOM 1365 CB VAL B 38 165.660 4.948 18.229 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.443 3.704 17.828 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.937 6.089 17.259 1.00 0.89 C ATOM 0 H VAL B 38 163.976 6.626 19.020 1.00 0.36 H new ATOM 0 HA VAL B 38 163.763 4.512 17.295 1.00 0.49 H new ATOM 0 HB VAL B 38 165.993 5.247 19.223 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.506 3.942 17.782 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.279 2.918 18.565 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.105 3.361 16.850 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.009 6.279 17.218 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.578 5.818 16.266 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.422 6.988 17.598 1.00 0.89 H new ATOM 1377 N ARG B 39 163.949 2.234 18.416 1.00 0.54 N ATOM 1378 CA ARG B 39 163.714 0.917 19.024 1.00 0.62 C ATOM 1379 C ARG B 39 164.543 0.700 20.294 1.00 0.51 C ATOM 1380 O ARG B 39 165.616 0.092 20.256 1.00 0.63 O ATOM 1381 CB ARG B 39 164.010 -0.191 18.007 1.00 0.93 C ATOM 1382 CG ARG B 39 162.992 -0.270 16.878 1.00 1.15 C ATOM 1383 CD ARG B 39 163.613 -0.814 15.600 1.00 1.41 C ATOM 1384 NE ARG B 39 163.265 -2.218 15.373 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.978 -3.253 15.827 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.083 -3.056 16.543 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.581 -4.494 15.565 1.00 2.18 N ATOM 0 H ARG B 39 164.151 2.196 17.417 1.00 0.54 H new ATOM 0 HA ARG B 39 162.664 0.880 19.315 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.000 -0.027 17.581 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.041 -1.149 18.525 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.162 -0.909 17.180 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.580 0.721 16.689 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.279 -0.216 14.752 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.697 -0.714 15.653 1.00 1.41 H new ATOM 0 HE ARG B 39 162.423 -2.419 14.833 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.394 -2.107 16.751 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.619 -3.854 16.884 1.00 2.06 H new ATOM 0 HH21 ARG B 39 162.734 -4.654 15.019 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.123 -5.286 15.910 1.00 2.18 H new ATOM 1401 N VAL B 40 164.023 1.197 21.418 1.00 0.43 N ATOM 1402 CA VAL B 40 164.682 1.066 22.716 1.00 0.56 C ATOM 1403 C VAL B 40 163.641 1.073 23.841 1.00 0.71 C ATOM 1404 O VAL B 40 163.639 1.957 24.701 1.00 1.15 O ATOM 1405 CB VAL B 40 165.710 2.200 22.957 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.487 1.960 24.246 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.665 2.334 21.777 1.00 0.65 C ATOM 0 H VAL B 40 163.136 1.700 21.453 1.00 0.43 H new ATOM 0 HA VAL B 40 165.218 0.117 22.714 1.00 0.56 H new ATOM 0 HB VAL B 40 165.158 3.135 23.055 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.203 2.768 24.395 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.795 1.928 25.088 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.020 1.011 24.179 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.375 3.137 21.973 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.205 1.398 21.638 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.098 2.563 20.875 1.00 0.65 H new ATOM 1417 N MET B 41 162.747 0.083 23.819 1.00 0.60 N ATOM 1418 CA MET B 41 161.692 -0.026 24.827 1.00 0.74 C ATOM 1419 C MET B 41 162.072 -1.030 25.913 1.00 0.91 C ATOM 1420 O MET B 41 162.370 -2.195 25.569 1.00 0.91 O ATOM 1421 CB MET B 41 160.367 -0.436 24.173 1.00 0.73 C ATOM 1422 CG MET B 41 159.940 0.474 23.030 1.00 0.74 C ATOM 1423 SD MET B 41 159.362 -0.446 21.591 1.00 0.86 S ATOM 1424 CE MET B 41 159.731 0.712 20.275 1.00 0.70 C ATOM 1425 OXT MET B 41 162.069 -0.643 27.101 1.00 1.13 O ATOM 0 H MET B 41 162.733 -0.654 23.114 1.00 0.60 H new ATOM 0 HA MET B 41 161.570 0.952 25.292 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.457 -1.456 23.799 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.585 -0.443 24.932 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.147 1.137 23.375 1.00 0.74 H new ATOM 0 HG3 MET B 41 160.780 1.105 22.740 1.00 0.74 H new ATOM 0 HE1 MET B 41 158.813 0.965 19.745 1.00 0.70 H new ATOM 0 HE2 MET B 41 160.166 1.617 20.698 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.439 0.260 19.580 1.00 0.70 H new TER 1435 MET B 41