USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 818 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 6 THR OG1 : rot 123:sc= 0.654 USER MOD Single : A 8 TYR OH : rot 30:sc= -0.735 USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= -0.128 (180deg=-0.674) USER MOD Single : A 21 SER OG : rot 37:sc= 0.15 USER MOD Single : A 25 ASN : amide:sc= -0.0153 K(o=-0.015,f=-0.63) USER MOD Single : A 27 SER OG : rot 41:sc= 0.0285 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-5.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= -0.17 (180deg=-0.787) USER MOD Single : A 53 SER OG : rot -14:sc= 0.686 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -122:sc= -1.98 (180deg=-4.75!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 78 MET CE :methyl -154:sc= -0.996 (180deg=-1.19) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= -0.108 (180deg=-0.598) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0481 USER MOD Single : A 91 GLN : amide:sc= -0.0551 X(o=-0.055,f=-0.17) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= 0.0493 (180deg=-0.00268) USER MOD Single : A 95 GLN : amide:sc= -1.58 K(o=-1.6,f=-3.1) USER MOD Single : A 96 THR OG1 : rot -84:sc= 1.29 USER MOD Single : B 1 LYS NZ :NH3+ -165:sc=-0.00915 (180deg=-0.191) USER MOD Single : B -4 SER OG : rot -48:sc= 0.486 USER MOD Single : B -7 PHE N :NH3+ 153:sc= 0.191 (180deg=0.044) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 7.225 -5.906 -8.687 1.00 43.45 N ATOM 43 CA LEU A 2 8.663 -5.879 -8.444 1.00 24.23 C ATOM 44 C LEU A 2 9.308 -7.203 -8.843 1.00 13.12 C ATOM 45 O LEU A 2 8.961 -8.259 -8.313 1.00 53.13 O ATOM 46 CB LEU A 2 8.945 -5.586 -6.969 1.00 43.21 C ATOM 47 CG LEU A 2 10.247 -4.842 -6.670 1.00 1.32 C ATOM 48 CD1 LEU A 2 10.678 -5.078 -5.231 1.00 1.34 C ATOM 49 CD2 LEU A 2 11.342 -5.274 -7.634 1.00 42.20 C ATOM 0 HA LEU A 2 9.095 -5.087 -9.055 1.00 24.23 H new ATOM 0 HB2 LEU A 2 8.116 -5.001 -6.570 1.00 43.21 H new ATOM 0 HB3 LEU A 2 8.958 -6.532 -6.427 1.00 43.21 H new ATOM 0 HG LEU A 2 10.072 -3.775 -6.805 1.00 1.32 H new ATOM 0 HD11 LEU A 2 11.606 -4.541 -5.036 1.00 1.34 H new ATOM 0 HD12 LEU A 2 9.902 -4.718 -4.555 1.00 1.34 H new ATOM 0 HD13 LEU A 2 10.835 -6.144 -5.068 1.00 1.34 H new ATOM 0 HD21 LEU A 2 12.261 -4.734 -7.406 1.00 42.20 H new ATOM 0 HD22 LEU A 2 11.515 -6.345 -7.531 1.00 42.20 H new ATOM 0 HD23 LEU A 2 11.035 -5.053 -8.656 1.00 42.20 H new ATOM 61 N PHE A 3 10.249 -7.138 -9.778 1.00 61.45 N ATOM 62 CA PHE A 3 10.944 -8.332 -10.248 1.00 15.31 C ATOM 63 C PHE A 3 12.456 -8.138 -10.192 1.00 21.30 C ATOM 64 O PHE A 3 12.968 -7.068 -10.520 1.00 22.44 O ATOM 65 CB PHE A 3 10.514 -8.669 -11.677 1.00 54.32 C ATOM 66 CG PHE A 3 9.064 -9.044 -11.794 1.00 40.04 C ATOM 67 CD1 PHE A 3 8.664 -10.364 -11.663 1.00 13.12 C ATOM 68 CD2 PHE A 3 8.102 -8.077 -12.036 1.00 13.23 C ATOM 69 CE1 PHE A 3 7.331 -10.712 -11.771 1.00 55.11 C ATOM 70 CE2 PHE A 3 6.767 -8.419 -12.145 1.00 12.25 C ATOM 71 CZ PHE A 3 6.381 -9.738 -12.011 1.00 32.10 C ATOM 0 H PHE A 3 10.549 -6.272 -10.226 1.00 61.45 H new ATOM 0 HA PHE A 3 10.677 -9.160 -9.591 1.00 15.31 H new ATOM 0 HB2 PHE A 3 10.712 -7.811 -12.319 1.00 54.32 H new ATOM 0 HB3 PHE A 3 11.125 -9.492 -12.047 1.00 54.32 H new ATOM 0 HD1 PHE A 3 9.402 -11.129 -11.474 1.00 13.12 H new ATOM 0 HD2 PHE A 3 8.398 -7.044 -12.141 1.00 13.23 H new ATOM 0 HE1 PHE A 3 7.032 -11.745 -11.668 1.00 55.11 H new ATOM 0 HE2 PHE A 3 6.027 -7.656 -12.335 1.00 12.25 H new ATOM 0 HZ PHE A 3 5.338 -10.008 -12.094 1.00 32.10 H new ATOM 81 N ALA A 4 13.165 -9.182 -9.774 1.00 11.33 N ATOM 82 CA ALA A 4 14.618 -9.128 -9.676 1.00 23.13 C ATOM 83 C ALA A 4 15.256 -10.374 -10.281 1.00 34.32 C ATOM 84 O ALA A 4 14.604 -11.409 -10.426 1.00 4.11 O ATOM 85 CB ALA A 4 15.044 -8.967 -8.224 1.00 32.22 C ATOM 0 H ALA A 4 12.756 -10.075 -9.498 1.00 11.33 H new ATOM 0 HA ALA A 4 14.963 -8.263 -10.243 1.00 23.13 H new ATOM 0 HB1 ALA A 4 16.132 -8.928 -8.166 1.00 32.22 H new ATOM 0 HB2 ALA A 4 14.626 -8.044 -7.822 1.00 32.22 H new ATOM 0 HB3 ALA A 4 14.680 -9.814 -7.642 1.00 32.22 H new ATOM 91 N VAL A 5 16.533 -10.268 -10.633 1.00 70.42 N ATOM 92 CA VAL A 5 17.259 -11.387 -11.223 1.00 33.35 C ATOM 93 C VAL A 5 18.522 -11.702 -10.429 1.00 41.34 C ATOM 94 O VAL A 5 19.347 -10.822 -10.179 1.00 61.31 O ATOM 95 CB VAL A 5 17.643 -11.099 -12.686 1.00 11.31 C ATOM 96 CG1 VAL A 5 18.440 -9.807 -12.784 1.00 55.41 C ATOM 97 CG2 VAL A 5 18.427 -12.264 -13.270 1.00 40.12 C ATOM 0 H VAL A 5 17.087 -9.419 -10.520 1.00 70.42 H new ATOM 0 HA VAL A 5 16.591 -12.248 -11.194 1.00 33.35 H new ATOM 0 HB VAL A 5 16.728 -10.979 -13.267 1.00 11.31 H new ATOM 0 HG11 VAL A 5 18.703 -9.620 -13.825 1.00 55.41 H new ATOM 0 HG12 VAL A 5 17.839 -8.979 -12.407 1.00 55.41 H new ATOM 0 HG13 VAL A 5 19.350 -9.895 -12.190 1.00 55.41 H new ATOM 0 HG21 VAL A 5 18.690 -12.043 -14.304 1.00 40.12 H new ATOM 0 HG22 VAL A 5 19.336 -12.418 -12.689 1.00 40.12 H new ATOM 0 HG23 VAL A 5 17.817 -13.167 -13.235 1.00 40.12 H new ATOM 107 N THR A 6 18.669 -12.963 -10.036 1.00 33.12 N ATOM 108 CA THR A 6 19.831 -13.395 -9.270 1.00 43.42 C ATOM 109 C THR A 6 21.102 -13.314 -10.108 1.00 3.51 C ATOM 110 O THR A 6 21.168 -13.860 -11.210 1.00 53.30 O ATOM 111 CB THR A 6 19.661 -14.836 -8.755 1.00 20.14 C ATOM 112 OG1 THR A 6 18.665 -15.517 -9.525 1.00 34.41 O ATOM 113 CG2 THR A 6 19.266 -14.842 -7.286 1.00 34.23 C ATOM 0 H THR A 6 17.997 -13.704 -10.236 1.00 33.12 H new ATOM 0 HA THR A 6 19.916 -12.721 -8.418 1.00 43.42 H new ATOM 0 HB THR A 6 20.616 -15.351 -8.860 1.00 20.14 H new ATOM 0 HG1 THR A 6 19.053 -16.326 -9.919 1.00 34.41 H new ATOM 0 HG21 THR A 6 19.152 -15.871 -6.944 1.00 34.23 H new ATOM 0 HG22 THR A 6 20.041 -14.349 -6.699 1.00 34.23 H new ATOM 0 HG23 THR A 6 18.322 -14.311 -7.161 1.00 34.23 H new ATOM 121 N LEU A 7 22.111 -12.630 -9.579 1.00 50.32 N ATOM 122 CA LEU A 7 23.382 -12.478 -10.279 1.00 2.34 C ATOM 123 C LEU A 7 24.432 -13.430 -9.714 1.00 13.43 C ATOM 124 O LEU A 7 25.450 -13.697 -10.352 1.00 40.31 O ATOM 125 CB LEU A 7 23.876 -11.034 -10.172 1.00 23.04 C ATOM 126 CG LEU A 7 22.937 -9.961 -10.723 1.00 43.42 C ATOM 127 CD1 LEU A 7 23.440 -8.573 -10.358 1.00 1.42 C ATOM 128 CD2 LEU A 7 22.797 -10.099 -12.232 1.00 42.12 C ATOM 0 H LEU A 7 22.074 -12.172 -8.668 1.00 50.32 H new ATOM 0 HA LEU A 7 23.222 -12.724 -11.329 1.00 2.34 H new ATOM 0 HB2 LEU A 7 24.070 -10.814 -9.122 1.00 23.04 H new ATOM 0 HB3 LEU A 7 24.829 -10.958 -10.695 1.00 23.04 H new ATOM 0 HG LEU A 7 21.954 -10.099 -10.272 1.00 43.42 H new ATOM 0 HD11 LEU A 7 22.759 -7.822 -10.759 1.00 1.42 H new ATOM 0 HD12 LEU A 7 23.488 -8.477 -9.273 1.00 1.42 H new ATOM 0 HD13 LEU A 7 24.434 -8.423 -10.780 1.00 1.42 H new ATOM 0 HD21 LEU A 7 22.125 -9.327 -12.607 1.00 42.12 H new ATOM 0 HD22 LEU A 7 23.775 -9.987 -12.700 1.00 42.12 H new ATOM 0 HD23 LEU A 7 22.390 -11.082 -12.471 1.00 42.12 H new ATOM 140 N TYR A 8 24.175 -13.940 -8.514 1.00 45.23 N ATOM 141 CA TYR A 8 25.098 -14.862 -7.863 1.00 60.21 C ATOM 142 C TYR A 8 24.355 -16.073 -7.306 1.00 44.12 C ATOM 143 O TYR A 8 23.141 -16.034 -7.112 1.00 0.21 O ATOM 144 CB TYR A 8 25.854 -14.152 -6.739 1.00 14.23 C ATOM 145 CG TYR A 8 26.490 -12.849 -7.166 1.00 42.41 C ATOM 146 CD1 TYR A 8 25.748 -11.675 -7.219 1.00 62.01 C ATOM 147 CD2 TYR A 8 27.833 -12.791 -7.518 1.00 1.02 C ATOM 148 CE1 TYR A 8 26.325 -10.482 -7.610 1.00 23.14 C ATOM 149 CE2 TYR A 8 28.419 -11.602 -7.908 1.00 72.30 C ATOM 150 CZ TYR A 8 27.661 -10.451 -7.953 1.00 11.24 C ATOM 151 OH TYR A 8 28.240 -9.265 -8.342 1.00 64.02 O ATOM 0 H TYR A 8 23.336 -13.731 -7.973 1.00 45.23 H new ATOM 0 HA TYR A 8 25.813 -15.208 -8.610 1.00 60.21 H new ATOM 0 HB2 TYR A 8 25.166 -13.958 -5.916 1.00 14.23 H new ATOM 0 HB3 TYR A 8 26.629 -14.817 -6.357 1.00 14.23 H new ATOM 0 HD1 TYR A 8 24.702 -11.696 -6.950 1.00 62.01 H new ATOM 0 HD2 TYR A 8 28.429 -13.691 -7.486 1.00 1.02 H new ATOM 0 HE1 TYR A 8 25.734 -9.579 -7.647 1.00 23.14 H new ATOM 0 HE2 TYR A 8 29.465 -11.574 -8.176 1.00 72.30 H new ATOM 0 HH TYR A 8 27.788 -8.519 -7.896 1.00 64.02 H new ATOM 161 N GLU A 9 25.096 -17.147 -7.051 1.00 72.33 N ATOM 162 CA GLU A 9 24.508 -18.370 -6.517 1.00 11.02 C ATOM 163 C GLU A 9 24.434 -18.317 -4.994 1.00 33.35 C ATOM 164 O GLU A 9 25.444 -18.465 -4.306 1.00 64.01 O ATOM 165 CB GLU A 9 25.322 -19.588 -6.957 1.00 22.41 C ATOM 166 CG GLU A 9 24.861 -20.890 -6.322 1.00 43.14 C ATOM 167 CD GLU A 9 24.451 -21.927 -7.350 1.00 45.21 C ATOM 168 OE1 GLU A 9 25.129 -22.028 -8.394 1.00 71.50 O ATOM 169 OE2 GLU A 9 23.453 -22.637 -7.110 1.00 33.15 O ATOM 0 H GLU A 9 26.103 -17.195 -7.205 1.00 72.33 H new ATOM 0 HA GLU A 9 23.495 -18.458 -6.910 1.00 11.02 H new ATOM 0 HB2 GLU A 9 25.263 -19.682 -8.041 1.00 22.41 H new ATOM 0 HB3 GLU A 9 26.370 -19.423 -6.708 1.00 22.41 H new ATOM 0 HG2 GLU A 9 25.664 -21.293 -5.705 1.00 43.14 H new ATOM 0 HG3 GLU A 9 24.020 -20.689 -5.659 1.00 43.14 H new ATOM 176 N PHE A 10 23.230 -18.105 -4.473 1.00 13.03 N ATOM 177 CA PHE A 10 23.023 -18.031 -3.031 1.00 54.12 C ATOM 178 C PHE A 10 22.842 -19.424 -2.435 1.00 42.03 C ATOM 179 O PHE A 10 21.993 -20.197 -2.879 1.00 52.22 O ATOM 180 CB PHE A 10 21.801 -17.166 -2.714 1.00 32.11 C ATOM 181 CG PHE A 10 21.767 -16.674 -1.295 1.00 40.43 C ATOM 182 CD1 PHE A 10 22.820 -15.936 -0.779 1.00 11.21 C ATOM 183 CD2 PHE A 10 20.682 -16.949 -0.478 1.00 65.11 C ATOM 184 CE1 PHE A 10 22.792 -15.481 0.526 1.00 52.30 C ATOM 185 CE2 PHE A 10 20.649 -16.496 0.827 1.00 33.42 C ATOM 186 CZ PHE A 10 21.705 -15.762 1.330 1.00 21.43 C ATOM 0 H PHE A 10 22.383 -17.981 -5.028 1.00 13.03 H new ATOM 0 HA PHE A 10 23.908 -17.576 -2.585 1.00 54.12 H new ATOM 0 HB2 PHE A 10 21.788 -16.309 -3.388 1.00 32.11 H new ATOM 0 HB3 PHE A 10 20.897 -17.742 -2.912 1.00 32.11 H new ATOM 0 HD1 PHE A 10 23.673 -15.714 -1.404 1.00 11.21 H new ATOM 0 HD2 PHE A 10 19.853 -17.523 -0.865 1.00 65.11 H new ATOM 0 HE1 PHE A 10 23.619 -14.907 0.916 1.00 52.30 H new ATOM 0 HE2 PHE A 10 19.797 -16.716 1.454 1.00 33.42 H new ATOM 0 HZ PHE A 10 21.681 -15.408 2.350 1.00 21.43 H new ATOM 196 N LYS A 11 23.648 -19.738 -1.427 1.00 22.42 N ATOM 197 CA LYS A 11 23.579 -21.037 -0.768 1.00 23.21 C ATOM 198 C LYS A 11 22.839 -20.934 0.562 1.00 4.00 C ATOM 199 O LYS A 11 23.408 -20.512 1.568 1.00 3.42 O ATOM 200 CB LYS A 11 24.987 -21.591 -0.539 1.00 23.23 C ATOM 201 CG LYS A 11 25.698 -21.995 -1.819 1.00 1.51 C ATOM 202 CD LYS A 11 27.177 -21.648 -1.769 1.00 14.50 C ATOM 203 CE LYS A 11 28.014 -22.665 -2.528 1.00 70.32 C ATOM 204 NZ LYS A 11 27.933 -24.019 -1.913 1.00 64.23 N ATOM 0 H LYS A 11 24.357 -19.110 -1.048 1.00 22.42 H new ATOM 0 HA LYS A 11 23.029 -21.717 -1.418 1.00 23.21 H new ATOM 0 HB2 LYS A 11 25.585 -20.839 -0.023 1.00 23.23 H new ATOM 0 HB3 LYS A 11 24.925 -22.456 0.121 1.00 23.23 H new ATOM 0 HG2 LYS A 11 25.580 -23.067 -1.979 1.00 1.51 H new ATOM 0 HG3 LYS A 11 25.234 -21.493 -2.668 1.00 1.51 H new ATOM 0 HD2 LYS A 11 27.334 -20.657 -2.194 1.00 14.50 H new ATOM 0 HD3 LYS A 11 27.507 -21.606 -0.731 1.00 14.50 H new ATOM 0 HE2 LYS A 11 27.675 -22.715 -3.563 1.00 70.32 H new ATOM 0 HE3 LYS A 11 29.053 -22.337 -2.549 1.00 70.32 H new ATOM 0 HZ1 LYS A 11 28.801 -24.550 -2.127 1.00 64.23 H new ATOM 0 HZ2 LYS A 11 27.828 -23.926 -0.882 1.00 64.23 H new ATOM 0 HZ3 LYS A 11 27.112 -24.528 -2.300 1.00 64.23 H new ATOM 218 N ALA A 12 21.569 -21.324 0.559 1.00 51.20 N ATOM 219 CA ALA A 12 20.753 -21.278 1.766 1.00 70.30 C ATOM 220 C ALA A 12 21.439 -22.001 2.920 1.00 21.40 C ATOM 221 O ALA A 12 22.190 -22.953 2.709 1.00 45.43 O ATOM 222 CB ALA A 12 19.383 -21.885 1.500 1.00 22.03 C ATOM 0 H ALA A 12 21.083 -21.675 -0.266 1.00 51.20 H new ATOM 0 HA ALA A 12 20.627 -20.233 2.050 1.00 70.30 H new ATOM 0 HB1 ALA A 12 18.784 -21.844 2.410 1.00 22.03 H new ATOM 0 HB2 ALA A 12 18.883 -21.323 0.711 1.00 22.03 H new ATOM 0 HB3 ALA A 12 19.499 -22.923 1.188 1.00 22.03 H new ATOM 228 N GLU A 13 21.176 -21.543 4.140 1.00 73.02 N ATOM 229 CA GLU A 13 21.770 -22.147 5.327 1.00 41.53 C ATOM 230 C GLU A 13 20.690 -22.610 6.300 1.00 3.24 C ATOM 231 O GLU A 13 20.834 -23.640 6.959 1.00 1.21 O ATOM 232 CB GLU A 13 22.704 -21.151 6.019 1.00 35.21 C ATOM 233 CG GLU A 13 22.102 -19.766 6.184 1.00 14.12 C ATOM 234 CD GLU A 13 23.063 -18.785 6.827 1.00 40.14 C ATOM 235 OE1 GLU A 13 23.760 -19.178 7.785 1.00 1.32 O ATOM 236 OE2 GLU A 13 23.118 -17.624 6.370 1.00 42.23 O ATOM 0 H GLU A 13 20.556 -20.756 4.332 1.00 73.02 H new ATOM 0 HA GLU A 13 22.347 -23.017 5.012 1.00 41.53 H new ATOM 0 HB2 GLU A 13 22.973 -21.540 7.001 1.00 35.21 H new ATOM 0 HB3 GLU A 13 23.626 -21.071 5.444 1.00 35.21 H new ATOM 0 HG2 GLU A 13 21.800 -19.386 5.208 1.00 14.12 H new ATOM 0 HG3 GLU A 13 21.200 -19.836 6.791 1.00 14.12 H new ATOM 243 N ARG A 14 19.610 -21.841 6.386 1.00 75.14 N ATOM 244 CA ARG A 14 18.506 -22.171 7.280 1.00 50.25 C ATOM 245 C ARG A 14 17.242 -22.493 6.487 1.00 2.23 C ATOM 246 O ARG A 14 17.251 -22.487 5.256 1.00 20.32 O ATOM 247 CB ARG A 14 18.237 -21.012 8.241 1.00 53.20 C ATOM 248 CG ARG A 14 19.223 -20.936 9.395 1.00 35.44 C ATOM 249 CD ARG A 14 18.751 -21.758 10.585 1.00 22.00 C ATOM 250 NE ARG A 14 19.425 -21.368 11.821 1.00 54.02 N ATOM 251 CZ ARG A 14 19.195 -21.944 12.996 1.00 44.51 C ATOM 252 NH1 ARG A 14 18.315 -22.930 13.094 1.00 11.01 N ATOM 253 NH2 ARG A 14 19.848 -21.533 14.076 1.00 40.13 N ATOM 0 H ARG A 14 19.475 -20.985 5.848 1.00 75.14 H new ATOM 0 HA ARG A 14 18.788 -23.053 7.855 1.00 50.25 H new ATOM 0 HB2 ARG A 14 18.269 -20.075 7.685 1.00 53.20 H new ATOM 0 HB3 ARG A 14 17.228 -21.110 8.642 1.00 53.20 H new ATOM 0 HG2 ARG A 14 20.198 -21.296 9.066 1.00 35.44 H new ATOM 0 HG3 ARG A 14 19.352 -19.897 9.697 1.00 35.44 H new ATOM 0 HD2 ARG A 14 17.674 -21.637 10.705 1.00 22.00 H new ATOM 0 HD3 ARG A 14 18.933 -22.815 10.391 1.00 22.00 H new ATOM 0 HE ARG A 14 20.109 -20.613 11.780 1.00 54.02 H new ATOM 0 HH11 ARG A 14 17.812 -23.249 12.266 1.00 11.01 H new ATOM 0 HH12 ARG A 14 18.141 -23.370 13.998 1.00 11.01 H new ATOM 0 HH21 ARG A 14 20.527 -20.775 14.004 1.00 40.13 H new ATOM 0 HH22 ARG A 14 19.671 -21.975 14.978 1.00 40.13 H new ATOM 267 N ASP A 15 16.158 -22.773 7.202 1.00 71.23 N ATOM 268 CA ASP A 15 14.886 -23.097 6.566 1.00 61.21 C ATOM 269 C ASP A 15 14.305 -21.876 5.860 1.00 62.25 C ATOM 270 O ASP A 15 13.686 -21.995 4.802 1.00 0.20 O ATOM 271 CB ASP A 15 13.892 -23.623 7.603 1.00 4.41 C ATOM 272 CG ASP A 15 13.840 -22.756 8.846 1.00 51.22 C ATOM 273 OD1 ASP A 15 13.172 -21.702 8.805 1.00 3.54 O ATOM 274 OD2 ASP A 15 14.467 -23.131 9.858 1.00 23.44 O ATOM 0 H ASP A 15 16.134 -22.782 8.222 1.00 71.23 H new ATOM 0 HA ASP A 15 15.067 -23.873 5.822 1.00 61.21 H new ATOM 0 HB2 ASP A 15 12.899 -23.674 7.157 1.00 4.41 H new ATOM 0 HB3 ASP A 15 14.168 -24.640 7.884 1.00 4.41 H new ATOM 279 N ASP A 16 14.508 -20.704 6.451 1.00 22.55 N ATOM 280 CA ASP A 16 14.005 -19.461 5.879 1.00 33.31 C ATOM 281 C ASP A 16 14.734 -19.126 4.582 1.00 52.22 C ATOM 282 O ASP A 16 14.120 -18.685 3.611 1.00 43.23 O ATOM 283 CB ASP A 16 14.162 -18.314 6.879 1.00 61.25 C ATOM 284 CG ASP A 16 15.597 -18.134 7.332 1.00 25.40 C ATOM 285 OD1 ASP A 16 16.085 -18.983 8.107 1.00 21.21 O ATOM 286 OD2 ASP A 16 16.233 -17.144 6.913 1.00 60.34 O ATOM 0 H ASP A 16 15.018 -20.589 7.327 1.00 22.55 H new ATOM 0 HA ASP A 16 12.947 -19.595 5.655 1.00 33.31 H new ATOM 0 HB2 ASP A 16 13.809 -17.388 6.424 1.00 61.25 H new ATOM 0 HB3 ASP A 16 13.531 -18.504 7.747 1.00 61.25 H new ATOM 291 N GLU A 17 16.046 -19.337 4.575 1.00 63.02 N ATOM 292 CA GLU A 17 16.858 -19.055 3.397 1.00 5.21 C ATOM 293 C GLU A 17 16.410 -19.904 2.211 1.00 42.41 C ATOM 294 O GLU A 17 15.650 -20.860 2.369 1.00 22.01 O ATOM 295 CB GLU A 17 18.337 -19.315 3.695 1.00 35.31 C ATOM 296 CG GLU A 17 18.886 -18.471 4.832 1.00 2.24 C ATOM 297 CD GLU A 17 18.809 -16.984 4.545 1.00 12.11 C ATOM 298 OE1 GLU A 17 17.696 -16.422 4.618 1.00 60.10 O ATOM 299 OE2 GLU A 17 19.862 -16.382 4.248 1.00 60.25 O ATOM 0 H GLU A 17 16.569 -19.702 5.371 1.00 63.02 H new ATOM 0 HA GLU A 17 16.726 -18.004 3.140 1.00 5.21 H new ATOM 0 HB2 GLU A 17 18.470 -20.369 3.939 1.00 35.31 H new ATOM 0 HB3 GLU A 17 18.920 -19.120 2.795 1.00 35.31 H new ATOM 0 HG2 GLU A 17 18.330 -18.690 5.744 1.00 2.24 H new ATOM 0 HG3 GLU A 17 19.924 -18.748 5.017 1.00 2.24 H new ATOM 306 N LEU A 18 16.885 -19.547 1.023 1.00 44.12 N ATOM 307 CA LEU A 18 16.534 -20.275 -0.192 1.00 10.33 C ATOM 308 C LEU A 18 17.728 -20.368 -1.136 1.00 5.43 C ATOM 309 O LEU A 18 18.585 -19.484 -1.158 1.00 2.23 O ATOM 310 CB LEU A 18 15.363 -19.591 -0.899 1.00 14.31 C ATOM 311 CG LEU A 18 14.479 -20.493 -1.761 1.00 23.42 C ATOM 312 CD1 LEU A 18 13.759 -21.518 -0.897 1.00 44.44 C ATOM 313 CD2 LEU A 18 13.479 -19.663 -2.552 1.00 44.20 C ATOM 0 H LEU A 18 17.514 -18.758 0.875 1.00 44.12 H new ATOM 0 HA LEU A 18 16.240 -21.285 0.092 1.00 10.33 H new ATOM 0 HB2 LEU A 18 14.736 -19.116 -0.144 1.00 14.31 H new ATOM 0 HB3 LEU A 18 15.760 -18.796 -1.530 1.00 14.31 H new ATOM 0 HG LEU A 18 15.116 -21.026 -2.467 1.00 23.42 H new ATOM 0 HD11 LEU A 18 13.135 -22.151 -1.527 1.00 44.44 H new ATOM 0 HD12 LEU A 18 14.492 -22.134 -0.377 1.00 44.44 H new ATOM 0 HD13 LEU A 18 13.134 -21.004 -0.167 1.00 44.44 H new ATOM 0 HD21 LEU A 18 12.859 -20.322 -3.159 1.00 44.20 H new ATOM 0 HD22 LEU A 18 12.847 -19.102 -1.864 1.00 44.20 H new ATOM 0 HD23 LEU A 18 14.014 -18.969 -3.200 1.00 44.20 H new ATOM 325 N ASP A 19 17.777 -21.442 -1.915 1.00 65.13 N ATOM 326 CA ASP A 19 18.865 -21.649 -2.864 1.00 62.24 C ATOM 327 C ASP A 19 18.483 -21.136 -4.249 1.00 71.53 C ATOM 328 O ASP A 19 17.405 -21.440 -4.760 1.00 35.44 O ATOM 329 CB ASP A 19 19.230 -23.133 -2.939 1.00 11.31 C ATOM 330 CG ASP A 19 18.191 -23.948 -3.684 1.00 12.35 C ATOM 331 OD1 ASP A 19 16.988 -23.792 -3.384 1.00 41.14 O ATOM 332 OD2 ASP A 19 18.580 -24.741 -4.566 1.00 1.31 O ATOM 0 H ASP A 19 17.076 -22.183 -1.909 1.00 65.13 H new ATOM 0 HA ASP A 19 19.731 -21.087 -2.514 1.00 62.24 H new ATOM 0 HB2 ASP A 19 20.196 -23.242 -3.433 1.00 11.31 H new ATOM 0 HB3 ASP A 19 19.342 -23.528 -1.929 1.00 11.31 H new ATOM 337 N VAL A 20 19.374 -20.356 -4.853 1.00 12.25 N ATOM 338 CA VAL A 20 19.130 -19.800 -6.178 1.00 62.54 C ATOM 339 C VAL A 20 20.433 -19.636 -6.953 1.00 72.44 C ATOM 340 O VAL A 20 21.491 -19.407 -6.368 1.00 12.03 O ATOM 341 CB VAL A 20 18.421 -18.436 -6.094 1.00 13.03 C ATOM 342 CG1 VAL A 20 19.305 -17.417 -5.391 1.00 52.01 C ATOM 343 CG2 VAL A 20 18.033 -17.950 -7.482 1.00 60.42 C ATOM 0 H VAL A 20 20.272 -20.095 -4.445 1.00 12.25 H new ATOM 0 HA VAL A 20 18.484 -20.504 -6.702 1.00 62.54 H new ATOM 0 HB VAL A 20 17.509 -18.556 -5.509 1.00 13.03 H new ATOM 0 HG11 VAL A 20 18.787 -16.459 -5.341 1.00 52.01 H new ATOM 0 HG12 VAL A 20 19.527 -17.763 -4.381 1.00 52.01 H new ATOM 0 HG13 VAL A 20 20.235 -17.298 -5.946 1.00 52.01 H new ATOM 0 HG21 VAL A 20 17.533 -16.985 -7.403 1.00 60.42 H new ATOM 0 HG22 VAL A 20 18.929 -17.846 -8.095 1.00 60.42 H new ATOM 0 HG23 VAL A 20 17.359 -18.671 -7.945 1.00 60.42 H new ATOM 353 N SER A 21 20.348 -19.755 -8.275 1.00 31.24 N ATOM 354 CA SER A 21 21.521 -19.623 -9.131 1.00 31.32 C ATOM 355 C SER A 21 21.448 -18.344 -9.959 1.00 74.44 C ATOM 356 O SER A 21 20.382 -17.758 -10.150 1.00 10.11 O ATOM 357 CB SER A 21 21.643 -20.837 -10.055 1.00 1.34 C ATOM 358 OG SER A 21 22.409 -21.864 -9.449 1.00 1.40 O ATOM 0 H SER A 21 19.479 -19.942 -8.776 1.00 31.24 H new ATOM 0 HA SER A 21 22.403 -19.571 -8.492 1.00 31.32 H new ATOM 0 HB2 SER A 21 20.650 -21.215 -10.297 1.00 1.34 H new ATOM 0 HB3 SER A 21 22.108 -20.538 -10.994 1.00 1.34 H new ATOM 0 HG SER A 21 22.217 -21.891 -8.488 1.00 1.40 H new ATOM 364 N PRO A 22 22.608 -17.900 -10.465 1.00 21.44 N ATOM 365 CA PRO A 22 22.703 -16.687 -11.282 1.00 1.05 C ATOM 366 C PRO A 22 22.059 -16.860 -12.653 1.00 3.50 C ATOM 367 O PRO A 22 22.360 -17.809 -13.376 1.00 12.34 O ATOM 368 CB PRO A 22 24.212 -16.472 -11.423 1.00 1.45 C ATOM 369 CG PRO A 22 24.806 -17.827 -11.252 1.00 72.22 C ATOM 370 CD PRO A 22 23.917 -18.549 -10.278 1.00 33.23 C ATOM 0 HA PRO A 22 22.180 -15.846 -10.826 1.00 1.05 H new ATOM 0 HB2 PRO A 22 24.462 -16.050 -12.396 1.00 1.45 H new ATOM 0 HB3 PRO A 22 24.585 -15.778 -10.669 1.00 1.45 H new ATOM 0 HG2 PRO A 22 24.852 -18.356 -12.204 1.00 72.22 H new ATOM 0 HG3 PRO A 22 25.826 -17.761 -10.874 1.00 72.22 H new ATOM 0 HD2 PRO A 22 23.870 -19.617 -10.492 1.00 33.23 H new ATOM 0 HD3 PRO A 22 24.275 -18.444 -9.254 1.00 33.23 H new ATOM 378 N GLY A 23 21.172 -15.934 -13.006 1.00 34.52 N ATOM 379 CA GLY A 23 20.500 -16.003 -14.290 1.00 54.12 C ATOM 380 C GLY A 23 19.034 -16.366 -14.159 1.00 53.51 C ATOM 381 O GLY A 23 18.296 -16.359 -15.144 1.00 1.41 O ATOM 0 H GLY A 23 20.907 -15.138 -12.426 1.00 34.52 H new ATOM 0 HA2 GLY A 23 20.589 -15.041 -14.795 1.00 54.12 H new ATOM 0 HA3 GLY A 23 20.999 -16.741 -14.918 1.00 54.12 H new ATOM 385 N GLU A 24 18.611 -16.685 -12.940 1.00 4.23 N ATOM 386 CA GLU A 24 17.224 -17.055 -12.685 1.00 1.51 C ATOM 387 C GLU A 24 16.399 -15.833 -12.290 1.00 3.04 C ATOM 388 O GLU A 24 16.934 -14.847 -11.785 1.00 1.21 O ATOM 389 CB GLU A 24 17.149 -18.113 -11.582 1.00 42.42 C ATOM 390 CG GLU A 24 17.495 -19.514 -12.058 1.00 51.53 C ATOM 391 CD GLU A 24 16.450 -20.085 -12.997 1.00 44.25 C ATOM 392 OE1 GLU A 24 15.245 -19.899 -12.727 1.00 43.00 O ATOM 393 OE2 GLU A 24 16.837 -20.718 -14.002 1.00 4.50 O ATOM 0 H GLU A 24 19.209 -16.695 -12.114 1.00 4.23 H new ATOM 0 HA GLU A 24 16.811 -17.470 -13.604 1.00 1.51 H new ATOM 0 HB2 GLU A 24 17.828 -17.834 -10.776 1.00 42.42 H new ATOM 0 HB3 GLU A 24 16.143 -18.119 -11.163 1.00 42.42 H new ATOM 0 HG2 GLU A 24 18.460 -19.494 -12.564 1.00 51.53 H new ATOM 0 HG3 GLU A 24 17.601 -20.171 -11.195 1.00 51.53 H new ATOM 400 N ASN A 25 15.093 -15.907 -12.524 1.00 61.20 N ATOM 401 CA ASN A 25 14.194 -14.808 -12.194 1.00 13.31 C ATOM 402 C ASN A 25 13.540 -15.029 -10.833 1.00 71.44 C ATOM 403 O ASN A 25 13.145 -16.147 -10.496 1.00 45.34 O ATOM 404 CB ASN A 25 13.117 -14.660 -13.271 1.00 65.55 C ATOM 405 CG ASN A 25 13.697 -14.269 -14.617 1.00 74.03 C ATOM 406 OD1 ASN A 25 14.451 -15.028 -15.225 1.00 64.22 O ATOM 407 ND2 ASN A 25 13.345 -13.079 -15.089 1.00 11.51 N ATOM 0 H ASN A 25 14.634 -16.717 -12.941 1.00 61.20 H new ATOM 0 HA ASN A 25 14.783 -13.892 -12.150 1.00 13.31 H new ATOM 0 HB2 ASN A 25 12.575 -15.600 -13.371 1.00 65.55 H new ATOM 0 HB3 ASN A 25 12.394 -13.907 -12.957 1.00 65.55 H new ATOM 0 HD21 ASN A 25 13.703 -12.762 -15.990 1.00 11.51 H new ATOM 0 HD22 ASN A 25 12.717 -12.482 -14.551 1.00 11.51 H new ATOM 414 N LEU A 26 13.428 -13.958 -10.056 1.00 34.43 N ATOM 415 CA LEU A 26 12.821 -14.035 -8.731 1.00 53.22 C ATOM 416 C LEU A 26 11.788 -12.929 -8.541 1.00 12.41 C ATOM 417 O LEU A 26 11.980 -11.801 -8.995 1.00 43.05 O ATOM 418 CB LEU A 26 13.897 -13.935 -7.649 1.00 0.21 C ATOM 419 CG LEU A 26 14.800 -15.158 -7.485 1.00 51.02 C ATOM 420 CD1 LEU A 26 13.966 -16.420 -7.329 1.00 72.13 C ATOM 421 CD2 LEU A 26 15.746 -15.285 -8.670 1.00 41.13 C ATOM 0 H LEU A 26 13.749 -13.026 -10.320 1.00 34.43 H new ATOM 0 HA LEU A 26 12.316 -14.997 -8.645 1.00 53.22 H new ATOM 0 HB2 LEU A 26 14.525 -13.071 -7.868 1.00 0.21 H new ATOM 0 HB3 LEU A 26 13.407 -13.739 -6.695 1.00 0.21 H new ATOM 0 HG LEU A 26 15.396 -15.027 -6.582 1.00 51.02 H new ATOM 0 HD11 LEU A 26 14.626 -17.280 -7.214 1.00 72.13 H new ATOM 0 HD12 LEU A 26 13.330 -16.329 -6.448 1.00 72.13 H new ATOM 0 HD13 LEU A 26 13.344 -16.556 -8.213 1.00 72.13 H new ATOM 0 HD21 LEU A 26 16.381 -16.161 -8.536 1.00 41.13 H new ATOM 0 HD22 LEU A 26 15.167 -15.393 -9.587 1.00 41.13 H new ATOM 0 HD23 LEU A 26 16.368 -14.392 -8.736 1.00 41.13 H new ATOM 433 N SER A 27 10.692 -13.259 -7.864 1.00 44.13 N ATOM 434 CA SER A 27 9.628 -12.294 -7.615 1.00 10.02 C ATOM 435 C SER A 27 9.717 -11.742 -6.195 1.00 42.34 C ATOM 436 O SER A 27 9.577 -12.481 -5.220 1.00 42.34 O ATOM 437 CB SER A 27 8.260 -12.943 -7.837 1.00 3.32 C ATOM 438 OG SER A 27 7.511 -12.233 -8.808 1.00 12.13 O ATOM 0 H SER A 27 10.518 -14.187 -7.478 1.00 44.13 H new ATOM 0 HA SER A 27 9.749 -11.468 -8.316 1.00 10.02 H new ATOM 0 HB2 SER A 27 8.392 -13.976 -8.159 1.00 3.32 H new ATOM 0 HB3 SER A 27 7.710 -12.970 -6.897 1.00 3.32 H new ATOM 0 HG SER A 27 8.099 -11.971 -9.547 1.00 12.13 H new ATOM 444 N ILE A 28 9.951 -10.438 -6.088 1.00 60.13 N ATOM 445 CA ILE A 28 10.058 -9.786 -4.789 1.00 50.01 C ATOM 446 C ILE A 28 8.682 -9.418 -4.244 1.00 2.02 C ATOM 447 O ILE A 28 7.774 -9.076 -5.002 1.00 72.21 O ATOM 448 CB ILE A 28 10.924 -8.515 -4.867 1.00 12.32 C ATOM 449 CG1 ILE A 28 12.269 -8.827 -5.526 1.00 30.03 C ATOM 450 CG2 ILE A 28 11.131 -7.929 -3.478 1.00 23.40 C ATOM 451 CD1 ILE A 28 13.213 -7.645 -5.563 1.00 35.32 C ATOM 0 H ILE A 28 10.070 -9.813 -6.885 1.00 60.13 H new ATOM 0 HA ILE A 28 10.534 -10.499 -4.116 1.00 50.01 H new ATOM 0 HB ILE A 28 10.405 -7.776 -5.478 1.00 12.32 H new ATOM 0 HG12 ILE A 28 12.746 -9.646 -4.988 1.00 30.03 H new ATOM 0 HG13 ILE A 28 12.094 -9.174 -6.544 1.00 30.03 H new ATOM 0 HG21 ILE A 28 11.745 -7.031 -3.550 1.00 23.40 H new ATOM 0 HG22 ILE A 28 10.165 -7.674 -3.043 1.00 23.40 H new ATOM 0 HG23 ILE A 28 11.632 -8.661 -2.845 1.00 23.40 H new ATOM 0 HD11 ILE A 28 14.146 -7.939 -6.044 1.00 35.32 H new ATOM 0 HD12 ILE A 28 12.756 -6.831 -6.126 1.00 35.32 H new ATOM 0 HD13 ILE A 28 13.419 -7.312 -4.546 1.00 35.32 H new ATOM 463 N CYS A 29 8.536 -9.488 -2.925 1.00 64.44 N ATOM 464 CA CYS A 29 7.271 -9.162 -2.278 1.00 1.54 C ATOM 465 C CYS A 29 7.437 -7.981 -1.326 1.00 33.44 C ATOM 466 O CYS A 29 6.490 -7.236 -1.075 1.00 2.02 O ATOM 467 CB CYS A 29 6.735 -10.375 -1.516 1.00 65.15 C ATOM 468 SG CYS A 29 6.734 -11.907 -2.477 1.00 14.10 S ATOM 0 H CYS A 29 9.278 -9.768 -2.284 1.00 64.44 H new ATOM 0 HA CYS A 29 6.556 -8.885 -3.053 1.00 1.54 H new ATOM 0 HB2 CYS A 29 7.336 -10.522 -0.619 1.00 65.15 H new ATOM 0 HB3 CYS A 29 5.717 -10.164 -1.187 1.00 65.15 H new ATOM 0 HG CYS A 29 6.266 -12.876 -1.748 1.00 14.10 H new ATOM 474 N ALA A 30 8.645 -7.819 -0.797 1.00 63.22 N ATOM 475 CA ALA A 30 8.935 -6.730 0.127 1.00 40.11 C ATOM 476 C ALA A 30 10.433 -6.614 0.387 1.00 61.40 C ATOM 477 O ALA A 30 11.226 -7.400 -0.133 1.00 21.11 O ATOM 478 CB ALA A 30 8.184 -6.933 1.435 1.00 65.53 C ATOM 0 H ALA A 30 9.439 -8.429 -0.993 1.00 63.22 H new ATOM 0 HA ALA A 30 8.600 -5.799 -0.331 1.00 40.11 H new ATOM 0 HB1 ALA A 30 8.410 -6.112 2.116 1.00 65.53 H new ATOM 0 HB2 ALA A 30 7.112 -6.957 1.239 1.00 65.53 H new ATOM 0 HB3 ALA A 30 8.491 -7.875 1.888 1.00 65.53 H new ATOM 484 N HIS A 31 10.815 -5.630 1.194 1.00 11.42 N ATOM 485 CA HIS A 31 12.219 -5.411 1.523 1.00 21.50 C ATOM 486 C HIS A 31 12.412 -5.297 3.032 1.00 22.11 C ATOM 487 O HIS A 31 11.447 -5.328 3.796 1.00 53.24 O ATOM 488 CB HIS A 31 12.736 -4.148 0.834 1.00 72.32 C ATOM 489 CG HIS A 31 12.245 -2.880 1.462 1.00 65.12 C ATOM 490 ND1 HIS A 31 13.086 -1.857 1.846 1.00 51.41 N ATOM 491 CD2 HIS A 31 10.992 -2.472 1.771 1.00 44.03 C ATOM 492 CE1 HIS A 31 12.371 -0.875 2.366 1.00 42.55 C ATOM 493 NE2 HIS A 31 11.098 -1.223 2.331 1.00 15.22 N ATOM 0 H HIS A 31 10.172 -4.971 1.633 1.00 11.42 H new ATOM 0 HA HIS A 31 12.788 -6.269 1.165 1.00 21.50 H new ATOM 0 HB2 HIS A 31 13.826 -4.154 0.852 1.00 72.32 H new ATOM 0 HB3 HIS A 31 12.434 -4.166 -0.213 1.00 72.32 H new ATOM 0 HD2 HIS A 31 10.079 -3.026 1.608 1.00 44.03 H new ATOM 0 HE1 HIS A 31 12.762 0.054 2.754 1.00 42.55 H new ATOM 0 HE2 HIS A 31 10.319 -0.656 2.666 1.00 15.22 H new ATOM 501 N TYR A 32 13.665 -5.166 3.455 1.00 74.10 N ATOM 502 CA TYR A 32 13.984 -5.051 4.873 1.00 44.42 C ATOM 503 C TYR A 32 15.052 -3.986 5.105 1.00 25.34 C ATOM 504 O TYR A 32 16.244 -4.237 4.925 1.00 42.13 O ATOM 505 CB TYR A 32 14.462 -6.396 5.421 1.00 71.52 C ATOM 506 CG TYR A 32 14.582 -6.428 6.928 1.00 62.54 C ATOM 507 CD1 TYR A 32 13.486 -6.734 7.725 1.00 22.22 C ATOM 508 CD2 TYR A 32 15.791 -6.152 7.554 1.00 62.21 C ATOM 509 CE1 TYR A 32 13.591 -6.764 9.102 1.00 1.04 C ATOM 510 CE2 TYR A 32 15.906 -6.181 8.930 1.00 33.12 C ATOM 511 CZ TYR A 32 14.803 -6.487 9.700 1.00 31.21 C ATOM 512 OH TYR A 32 14.913 -6.516 11.072 1.00 55.35 O ATOM 0 H TYR A 32 14.475 -5.137 2.836 1.00 74.10 H new ATOM 0 HA TYR A 32 13.078 -4.753 5.401 1.00 44.42 H new ATOM 0 HB2 TYR A 32 13.769 -7.175 5.104 1.00 71.52 H new ATOM 0 HB3 TYR A 32 15.431 -6.634 4.983 1.00 71.52 H new ATOM 0 HD1 TYR A 32 12.536 -6.952 7.260 1.00 22.22 H new ATOM 0 HD2 TYR A 32 16.656 -5.911 6.954 1.00 62.21 H new ATOM 0 HE1 TYR A 32 12.729 -7.003 9.707 1.00 1.04 H new ATOM 0 HE2 TYR A 32 16.854 -5.965 9.400 1.00 33.12 H new ATOM 0 HH TYR A 32 15.833 -6.299 11.331 1.00 55.35 H new ATOM 522 N ASP A 33 14.616 -2.798 5.508 1.00 1.00 N ATOM 523 CA ASP A 33 15.533 -1.694 5.768 1.00 64.42 C ATOM 524 C ASP A 33 16.422 -1.430 4.556 1.00 1.14 C ATOM 525 O ASP A 33 17.530 -0.908 4.688 1.00 35.14 O ATOM 526 CB ASP A 33 16.397 -1.999 6.993 1.00 40.41 C ATOM 527 CG ASP A 33 17.196 -0.794 7.452 1.00 72.45 C ATOM 528 OD1 ASP A 33 16.828 0.339 7.078 1.00 11.31 O ATOM 529 OD2 ASP A 33 18.188 -0.986 8.185 1.00 43.44 O ATOM 0 H ASP A 33 13.633 -2.574 5.662 1.00 1.00 H new ATOM 0 HA ASP A 33 14.941 -0.800 5.964 1.00 64.42 H new ATOM 0 HB2 ASP A 33 15.759 -2.340 7.808 1.00 40.41 H new ATOM 0 HB3 ASP A 33 17.079 -2.816 6.759 1.00 40.41 H new ATOM 534 N TYR A 34 15.930 -1.794 3.378 1.00 62.14 N ATOM 535 CA TYR A 34 16.681 -1.600 2.143 1.00 40.41 C ATOM 536 C TYR A 34 17.967 -2.420 2.152 1.00 20.42 C ATOM 537 O TYR A 34 18.923 -2.104 1.445 1.00 12.30 O ATOM 538 CB TYR A 34 17.010 -0.118 1.949 1.00 33.33 C ATOM 539 CG TYR A 34 15.821 0.796 2.141 1.00 32.12 C ATOM 540 CD1 TYR A 34 15.499 1.295 3.397 1.00 11.41 C ATOM 541 CD2 TYR A 34 15.020 1.161 1.066 1.00 32.11 C ATOM 542 CE1 TYR A 34 14.413 2.130 3.577 1.00 42.21 C ATOM 543 CE2 TYR A 34 13.933 1.996 1.236 1.00 11.54 C ATOM 544 CZ TYR A 34 13.633 2.478 2.494 1.00 44.13 C ATOM 545 OH TYR A 34 12.552 3.311 2.668 1.00 32.45 O ATOM 0 H TYR A 34 15.014 -2.225 3.252 1.00 62.14 H new ATOM 0 HA TYR A 34 16.061 -1.940 1.314 1.00 40.41 H new ATOM 0 HB2 TYR A 34 17.794 0.167 2.651 1.00 33.33 H new ATOM 0 HB3 TYR A 34 17.412 0.028 0.946 1.00 33.33 H new ATOM 0 HD1 TYR A 34 16.108 1.026 4.247 1.00 11.41 H new ATOM 0 HD2 TYR A 34 15.251 0.785 0.080 1.00 32.11 H new ATOM 0 HE1 TYR A 34 14.176 2.508 4.560 1.00 42.21 H new ATOM 0 HE2 TYR A 34 13.321 2.270 0.389 1.00 11.54 H new ATOM 0 HH TYR A 34 12.110 3.458 1.806 1.00 32.45 H new ATOM 555 N GLU A 35 17.981 -3.477 2.959 1.00 61.12 N ATOM 556 CA GLU A 35 19.149 -4.344 3.061 1.00 42.12 C ATOM 557 C GLU A 35 18.857 -5.722 2.474 1.00 41.24 C ATOM 558 O GLU A 35 19.589 -6.209 1.612 1.00 3.41 O ATOM 559 CB GLU A 35 19.584 -4.482 4.521 1.00 12.54 C ATOM 560 CG GLU A 35 19.528 -3.177 5.299 1.00 60.04 C ATOM 561 CD GLU A 35 20.338 -2.074 4.646 1.00 41.14 C ATOM 562 OE1 GLU A 35 21.185 -2.389 3.784 1.00 73.33 O ATOM 563 OE2 GLU A 35 20.125 -0.895 4.997 1.00 14.41 O ATOM 0 H GLU A 35 17.197 -3.753 3.551 1.00 61.12 H new ATOM 0 HA GLU A 35 19.958 -3.888 2.490 1.00 42.12 H new ATOM 0 HB2 GLU A 35 18.947 -5.216 5.013 1.00 12.54 H new ATOM 0 HB3 GLU A 35 20.602 -4.871 4.553 1.00 12.54 H new ATOM 0 HG2 GLU A 35 18.490 -2.856 5.389 1.00 60.04 H new ATOM 0 HG3 GLU A 35 19.899 -3.345 6.310 1.00 60.04 H new ATOM 570 N TRP A 36 17.784 -6.344 2.947 1.00 74.13 N ATOM 571 CA TRP A 36 17.395 -7.666 2.469 1.00 34.34 C ATOM 572 C TRP A 36 16.131 -7.588 1.620 1.00 32.40 C ATOM 573 O TRP A 36 15.236 -6.788 1.893 1.00 30.12 O ATOM 574 CB TRP A 36 17.173 -8.612 3.651 1.00 74.55 C ATOM 575 CG TRP A 36 18.401 -8.820 4.484 1.00 14.14 C ATOM 576 CD1 TRP A 36 18.850 -8.019 5.495 1.00 34.14 C ATOM 577 CD2 TRP A 36 19.337 -9.897 4.377 1.00 24.31 C ATOM 578 NE1 TRP A 36 20.009 -8.534 6.023 1.00 2.11 N ATOM 579 CE2 TRP A 36 20.329 -9.686 5.355 1.00 30.10 C ATOM 580 CE3 TRP A 36 19.434 -11.021 3.552 1.00 40.23 C ATOM 581 CZ2 TRP A 36 21.402 -10.557 5.527 1.00 51.42 C ATOM 582 CZ3 TRP A 36 20.500 -11.884 3.723 1.00 13.43 C ATOM 583 CH2 TRP A 36 21.472 -11.648 4.705 1.00 73.52 C ATOM 0 H TRP A 36 17.168 -5.955 3.661 1.00 74.13 H new ATOM 0 HA TRP A 36 18.203 -8.053 1.848 1.00 34.34 H new ATOM 0 HB2 TRP A 36 16.378 -8.214 4.282 1.00 74.55 H new ATOM 0 HB3 TRP A 36 16.829 -9.576 3.276 1.00 74.55 H new ATOM 0 HD1 TRP A 36 18.365 -7.114 5.830 1.00 34.14 H new ATOM 0 HE1 TRP A 36 20.545 -8.125 6.789 1.00 2.11 H new ATOM 0 HE3 TRP A 36 18.689 -11.212 2.794 1.00 40.23 H new ATOM 0 HZ2 TRP A 36 22.152 -10.377 6.283 1.00 51.42 H new ATOM 0 HZ3 TRP A 36 20.585 -12.755 3.090 1.00 13.43 H new ATOM 0 HH2 TRP A 36 22.293 -12.341 4.815 1.00 73.52 H new ATOM 594 N PHE A 37 16.063 -8.424 0.589 1.00 24.31 N ATOM 595 CA PHE A 37 14.908 -8.449 -0.301 1.00 5.02 C ATOM 596 C PHE A 37 14.210 -9.805 -0.248 1.00 41.41 C ATOM 597 O PHE A 37 14.850 -10.849 -0.375 1.00 35.34 O ATOM 598 CB PHE A 37 15.338 -8.139 -1.736 1.00 75.15 C ATOM 599 CG PHE A 37 14.972 -6.753 -2.186 1.00 31.35 C ATOM 600 CD1 PHE A 37 13.676 -6.283 -2.041 1.00 64.35 C ATOM 601 CD2 PHE A 37 15.924 -5.920 -2.751 1.00 73.32 C ATOM 602 CE1 PHE A 37 13.337 -5.009 -2.455 1.00 3.24 C ATOM 603 CE2 PHE A 37 15.591 -4.645 -3.166 1.00 15.52 C ATOM 604 CZ PHE A 37 14.296 -4.188 -3.016 1.00 53.03 C ATOM 0 H PHE A 37 16.794 -9.093 0.349 1.00 24.31 H new ATOM 0 HA PHE A 37 14.205 -7.686 0.033 1.00 5.02 H new ATOM 0 HB2 PHE A 37 16.417 -8.266 -1.819 1.00 75.15 H new ATOM 0 HB3 PHE A 37 14.879 -8.864 -2.409 1.00 75.15 H new ATOM 0 HD1 PHE A 37 12.923 -6.919 -1.600 1.00 64.35 H new ATOM 0 HD2 PHE A 37 16.938 -6.271 -2.868 1.00 73.32 H new ATOM 0 HE1 PHE A 37 12.323 -4.655 -2.340 1.00 3.24 H new ATOM 0 HE2 PHE A 37 16.342 -4.006 -3.607 1.00 15.52 H new ATOM 0 HZ PHE A 37 14.034 -3.191 -3.337 1.00 53.03 H new ATOM 614 N ILE A 38 12.895 -9.779 -0.060 1.00 10.10 N ATOM 615 CA ILE A 38 12.110 -11.005 0.009 1.00 14.11 C ATOM 616 C ILE A 38 11.657 -11.447 -1.378 1.00 51.34 C ATOM 617 O ILE A 38 10.633 -10.987 -1.884 1.00 65.11 O ATOM 618 CB ILE A 38 10.872 -10.831 0.909 1.00 1.22 C ATOM 619 CG1 ILE A 38 11.256 -10.119 2.208 1.00 34.45 C ATOM 620 CG2 ILE A 38 10.239 -12.182 1.206 1.00 55.22 C ATOM 621 CD1 ILE A 38 12.337 -10.831 2.991 1.00 60.33 C ATOM 0 H ILE A 38 12.351 -8.923 0.047 1.00 10.10 H new ATOM 0 HA ILE A 38 12.757 -11.770 0.438 1.00 14.11 H new ATOM 0 HB ILE A 38 10.141 -10.218 0.382 1.00 1.22 H new ATOM 0 HG12 ILE A 38 11.594 -9.110 1.973 1.00 34.45 H new ATOM 0 HG13 ILE A 38 10.370 -10.021 2.835 1.00 34.45 H new ATOM 0 HG21 ILE A 38 9.366 -12.042 1.843 1.00 55.22 H new ATOM 0 HG22 ILE A 38 9.935 -12.655 0.272 1.00 55.22 H new ATOM 0 HG23 ILE A 38 10.962 -12.818 1.716 1.00 55.22 H new ATOM 0 HD11 ILE A 38 12.558 -10.270 3.899 1.00 60.33 H new ATOM 0 HD12 ILE A 38 11.995 -11.831 3.257 1.00 60.33 H new ATOM 0 HD13 ILE A 38 13.238 -10.906 2.382 1.00 60.33 H new ATOM 633 N ALA A 39 12.426 -12.343 -1.988 1.00 51.23 N ATOM 634 CA ALA A 39 12.102 -12.850 -3.316 1.00 21.12 C ATOM 635 C ALA A 39 11.666 -14.310 -3.254 1.00 60.13 C ATOM 636 O ALA A 39 11.991 -15.027 -2.307 1.00 55.41 O ATOM 637 CB ALA A 39 13.295 -12.692 -4.247 1.00 23.44 C ATOM 0 H ALA A 39 13.278 -12.733 -1.584 1.00 51.23 H new ATOM 0 HA ALA A 39 11.270 -12.266 -3.708 1.00 21.12 H new ATOM 0 HB1 ALA A 39 13.039 -13.075 -5.235 1.00 23.44 H new ATOM 0 HB2 ALA A 39 13.559 -11.637 -4.324 1.00 23.44 H new ATOM 0 HB3 ALA A 39 14.143 -13.251 -3.850 1.00 23.44 H new ATOM 643 N LYS A 40 10.928 -14.746 -4.270 1.00 1.42 N ATOM 644 CA LYS A 40 10.447 -16.121 -4.332 1.00 42.44 C ATOM 645 C LYS A 40 10.712 -16.728 -5.706 1.00 42.34 C ATOM 646 O LYS A 40 10.880 -16.022 -6.701 1.00 62.33 O ATOM 647 CB LYS A 40 8.950 -16.174 -4.020 1.00 1.23 C ATOM 648 CG LYS A 40 8.155 -15.048 -4.658 1.00 1.34 C ATOM 649 CD LYS A 40 6.660 -15.305 -4.576 1.00 72.23 C ATOM 650 CE LYS A 40 5.895 -14.477 -5.598 1.00 3.25 C ATOM 651 NZ LYS A 40 6.034 -15.028 -6.974 1.00 51.41 N ATOM 0 H LYS A 40 10.650 -14.166 -5.062 1.00 1.42 H new ATOM 0 HA LYS A 40 10.988 -16.703 -3.586 1.00 42.44 H new ATOM 0 HB2 LYS A 40 8.550 -17.129 -4.362 1.00 1.23 H new ATOM 0 HB3 LYS A 40 8.811 -16.138 -2.939 1.00 1.23 H new ATOM 0 HG2 LYS A 40 8.391 -14.107 -4.160 1.00 1.34 H new ATOM 0 HG3 LYS A 40 8.450 -14.939 -5.702 1.00 1.34 H new ATOM 0 HD2 LYS A 40 6.462 -16.364 -4.743 1.00 72.23 H new ATOM 0 HD3 LYS A 40 6.303 -15.068 -3.574 1.00 72.23 H new ATOM 0 HE2 LYS A 40 4.840 -14.446 -5.324 1.00 3.25 H new ATOM 0 HE3 LYS A 40 6.260 -13.450 -5.580 1.00 3.25 H new ATOM 0 HZ1 LYS A 40 5.938 -14.259 -7.667 1.00 51.41 H new ATOM 0 HZ2 LYS A 40 6.969 -15.472 -7.077 1.00 51.41 H new ATOM 0 HZ3 LYS A 40 5.293 -15.738 -7.140 1.00 51.41 H new ATOM 665 N PRO A 41 10.750 -18.067 -5.765 1.00 75.23 N ATOM 666 CA PRO A 41 10.992 -18.798 -7.013 1.00 35.23 C ATOM 667 C PRO A 41 9.821 -18.690 -7.984 1.00 62.42 C ATOM 668 O PRO A 41 8.725 -19.177 -7.706 1.00 14.52 O ATOM 669 CB PRO A 41 11.168 -20.246 -6.547 1.00 2.41 C ATOM 670 CG PRO A 41 10.420 -20.324 -5.261 1.00 50.11 C ATOM 671 CD PRO A 41 10.558 -18.971 -4.619 1.00 32.22 C ATOM 0 HA PRO A 41 11.850 -18.403 -7.557 1.00 35.23 H new ATOM 0 HB2 PRO A 41 10.770 -20.949 -7.279 1.00 2.41 H new ATOM 0 HB3 PRO A 41 12.221 -20.492 -6.408 1.00 2.41 H new ATOM 0 HG2 PRO A 41 9.372 -20.569 -5.433 1.00 50.11 H new ATOM 0 HG3 PRO A 41 10.828 -21.104 -4.619 1.00 50.11 H new ATOM 0 HD2 PRO A 41 9.671 -18.707 -4.043 1.00 32.22 H new ATOM 0 HD3 PRO A 41 11.405 -18.936 -3.933 1.00 32.22 H new ATOM 679 N ILE A 42 10.062 -18.051 -9.124 1.00 75.41 N ATOM 680 CA ILE A 42 9.027 -17.882 -10.137 1.00 42.10 C ATOM 681 C ILE A 42 8.851 -19.153 -10.961 1.00 34.14 C ATOM 682 O ILE A 42 7.729 -19.585 -11.221 1.00 54.12 O ATOM 683 CB ILE A 42 9.353 -16.711 -11.084 1.00 34.44 C ATOM 684 CG1 ILE A 42 9.492 -15.410 -10.291 1.00 50.24 C ATOM 685 CG2 ILE A 42 8.275 -16.577 -12.149 1.00 41.41 C ATOM 686 CD1 ILE A 42 9.870 -14.220 -11.146 1.00 33.03 C ATOM 0 H ILE A 42 10.964 -17.642 -9.369 1.00 75.41 H new ATOM 0 HA ILE A 42 8.100 -17.664 -9.607 1.00 42.10 H new ATOM 0 HB ILE A 42 10.302 -16.915 -11.579 1.00 34.44 H new ATOM 0 HG12 ILE A 42 8.550 -15.199 -9.785 1.00 50.24 H new ATOM 0 HG13 ILE A 42 10.246 -15.545 -9.516 1.00 50.24 H new ATOM 0 HG21 ILE A 42 8.519 -15.746 -12.811 1.00 41.41 H new ATOM 0 HG22 ILE A 42 8.220 -17.498 -12.729 1.00 41.41 H new ATOM 0 HG23 ILE A 42 7.313 -16.391 -11.672 1.00 41.41 H new ATOM 0 HD11 ILE A 42 9.951 -13.332 -10.519 1.00 33.03 H new ATOM 0 HD12 ILE A 42 10.827 -14.410 -11.631 1.00 33.03 H new ATOM 0 HD13 ILE A 42 9.104 -14.059 -11.905 1.00 33.03 H new ATOM 769 N PRO A 47 8.428 -19.031 -0.408 1.00 70.31 N ATOM 770 CA PRO A 47 9.122 -17.750 -0.246 1.00 71.21 C ATOM 771 C PRO A 47 10.361 -17.869 0.635 1.00 35.22 C ATOM 772 O PRO A 47 10.349 -18.567 1.648 1.00 13.25 O ATOM 773 CB PRO A 47 8.072 -16.860 0.424 1.00 21.53 C ATOM 774 CG PRO A 47 7.168 -17.809 1.133 1.00 23.30 C ATOM 775 CD PRO A 47 7.132 -19.054 0.291 1.00 71.25 C ATOM 0 HA PRO A 47 9.486 -17.361 -1.197 1.00 71.21 H new ATOM 0 HB2 PRO A 47 8.533 -16.158 1.119 1.00 21.53 H new ATOM 0 HB3 PRO A 47 7.527 -16.268 -0.311 1.00 21.53 H new ATOM 0 HG2 PRO A 47 7.538 -18.026 2.135 1.00 23.30 H new ATOM 0 HG3 PRO A 47 6.170 -17.386 1.247 1.00 23.30 H new ATOM 0 HD2 PRO A 47 7.021 -19.950 0.902 1.00 71.25 H new ATOM 0 HD3 PRO A 47 6.297 -19.041 -0.410 1.00 71.25 H new ATOM 783 N GLY A 48 11.429 -17.183 0.242 1.00 3.52 N ATOM 784 CA GLY A 48 12.661 -17.225 1.008 1.00 1.13 C ATOM 785 C GLY A 48 13.188 -15.842 1.336 1.00 13.13 C ATOM 786 O GLY A 48 12.413 -14.914 1.572 1.00 13.10 O ATOM 0 H GLY A 48 11.464 -16.599 -0.593 1.00 3.52 H new ATOM 0 HA2 GLY A 48 12.491 -17.774 1.934 1.00 1.13 H new ATOM 0 HA3 GLY A 48 13.416 -17.774 0.446 1.00 1.13 H new ATOM 790 N LEU A 49 14.509 -15.702 1.353 1.00 33.44 N ATOM 791 CA LEU A 49 15.139 -14.422 1.657 1.00 71.21 C ATOM 792 C LEU A 49 16.454 -14.270 0.899 1.00 1.45 C ATOM 793 O LEU A 49 17.306 -15.158 0.928 1.00 11.11 O ATOM 794 CB LEU A 49 15.386 -14.297 3.161 1.00 22.03 C ATOM 795 CG LEU A 49 15.129 -12.919 3.771 1.00 5.43 C ATOM 796 CD1 LEU A 49 14.485 -13.053 5.142 1.00 20.22 C ATOM 797 CD2 LEU A 49 16.426 -12.127 3.865 1.00 53.14 C ATOM 0 H LEU A 49 15.165 -16.459 1.160 1.00 33.44 H new ATOM 0 HA LEU A 49 14.464 -13.627 1.340 1.00 71.21 H new ATOM 0 HB2 LEU A 49 14.755 -15.023 3.674 1.00 22.03 H new ATOM 0 HB3 LEU A 49 16.420 -14.575 3.363 1.00 22.03 H new ATOM 0 HG LEU A 49 14.442 -12.378 3.121 1.00 5.43 H new ATOM 0 HD11 LEU A 49 14.310 -12.062 5.560 1.00 20.22 H new ATOM 0 HD12 LEU A 49 13.536 -13.580 5.048 1.00 20.22 H new ATOM 0 HD13 LEU A 49 15.147 -13.613 5.802 1.00 20.22 H new ATOM 0 HD21 LEU A 49 16.224 -11.149 4.301 1.00 53.14 H new ATOM 0 HD22 LEU A 49 17.136 -12.665 4.493 1.00 53.14 H new ATOM 0 HD23 LEU A 49 16.847 -11.999 2.868 1.00 53.14 H new ATOM 809 N VAL A 50 16.614 -13.136 0.224 1.00 72.14 N ATOM 810 CA VAL A 50 17.827 -12.865 -0.539 1.00 34.11 C ATOM 811 C VAL A 50 18.225 -11.397 -0.434 1.00 60.32 C ATOM 812 O VAL A 50 17.405 -10.493 -0.592 1.00 13.21 O ATOM 813 CB VAL A 50 17.650 -13.233 -2.024 1.00 53.01 C ATOM 814 CG1 VAL A 50 16.540 -12.403 -2.652 1.00 4.34 C ATOM 815 CG2 VAL A 50 18.958 -13.047 -2.778 1.00 52.10 C ATOM 0 H VAL A 50 15.919 -12.390 0.190 1.00 72.14 H new ATOM 0 HA VAL A 50 18.616 -13.484 -0.111 1.00 34.11 H new ATOM 0 HB VAL A 50 17.366 -14.283 -2.089 1.00 53.01 H new ATOM 0 HG11 VAL A 50 16.430 -12.677 -3.701 1.00 4.34 H new ATOM 0 HG12 VAL A 50 15.603 -12.592 -2.127 1.00 4.34 H new ATOM 0 HG13 VAL A 50 16.791 -11.345 -2.578 1.00 4.34 H new ATOM 0 HG21 VAL A 50 18.815 -13.312 -3.826 1.00 52.10 H new ATOM 0 HG22 VAL A 50 19.274 -12.006 -2.706 1.00 52.10 H new ATOM 0 HG23 VAL A 50 19.723 -13.690 -2.343 1.00 52.10 H new ATOM 825 N PRO A 51 19.515 -11.153 -0.162 1.00 44.51 N ATOM 826 CA PRO A 51 20.053 -9.795 -0.031 1.00 61.12 C ATOM 827 C PRO A 51 20.093 -9.056 -1.364 1.00 74.15 C ATOM 828 O PRO A 51 20.201 -9.673 -2.424 1.00 45.45 O ATOM 829 CB PRO A 51 21.472 -10.025 0.495 1.00 1.10 C ATOM 830 CG PRO A 51 21.830 -11.395 0.033 1.00 63.03 C ATOM 831 CD PRO A 51 20.549 -12.182 0.038 1.00 20.11 C ATOM 0 HA PRO A 51 19.437 -9.174 0.620 1.00 61.12 H new ATOM 0 HB2 PRO A 51 22.165 -9.281 0.102 1.00 1.10 H new ATOM 0 HB3 PRO A 51 21.508 -9.952 1.582 1.00 1.10 H new ATOM 0 HG2 PRO A 51 22.268 -11.368 -0.965 1.00 63.03 H new ATOM 0 HG3 PRO A 51 22.569 -11.849 0.693 1.00 63.03 H new ATOM 0 HD2 PRO A 51 20.533 -12.928 -0.757 1.00 20.11 H new ATOM 0 HD3 PRO A 51 20.409 -12.715 0.978 1.00 20.11 H new ATOM 839 N VAL A 52 20.004 -7.731 -1.304 1.00 71.14 N ATOM 840 CA VAL A 52 20.031 -6.908 -2.507 1.00 42.23 C ATOM 841 C VAL A 52 21.357 -7.057 -3.246 1.00 34.14 C ATOM 842 O VAL A 52 21.444 -6.795 -4.445 1.00 72.22 O ATOM 843 CB VAL A 52 19.806 -5.421 -2.175 1.00 10.21 C ATOM 844 CG1 VAL A 52 19.568 -4.619 -3.446 1.00 23.43 C ATOM 845 CG2 VAL A 52 18.642 -5.262 -1.209 1.00 13.32 C ATOM 0 H VAL A 52 19.913 -7.205 -0.435 1.00 71.14 H new ATOM 0 HA VAL A 52 19.220 -7.257 -3.147 1.00 42.23 H new ATOM 0 HB VAL A 52 20.704 -5.034 -1.694 1.00 10.21 H new ATOM 0 HG11 VAL A 52 19.411 -3.571 -3.191 1.00 23.43 H new ATOM 0 HG12 VAL A 52 20.436 -4.707 -4.100 1.00 23.43 H new ATOM 0 HG13 VAL A 52 18.686 -5.003 -3.959 1.00 23.43 H new ATOM 0 HG21 VAL A 52 18.497 -4.205 -0.985 1.00 13.32 H new ATOM 0 HG22 VAL A 52 17.736 -5.665 -1.662 1.00 13.32 H new ATOM 0 HG23 VAL A 52 18.858 -5.802 -0.287 1.00 13.32 H new ATOM 855 N SER A 53 22.387 -7.480 -2.521 1.00 22.35 N ATOM 856 CA SER A 53 23.710 -7.662 -3.106 1.00 4.22 C ATOM 857 C SER A 53 23.779 -8.962 -3.901 1.00 21.11 C ATOM 858 O SER A 53 24.797 -9.270 -4.521 1.00 72.35 O ATOM 859 CB SER A 53 24.780 -7.663 -2.011 1.00 55.25 C ATOM 860 OG SER A 53 26.062 -7.931 -2.552 1.00 11.34 O ATOM 0 H SER A 53 22.331 -7.703 -1.527 1.00 22.35 H new ATOM 0 HA SER A 53 23.896 -6.831 -3.786 1.00 4.22 H new ATOM 0 HB2 SER A 53 24.789 -6.697 -1.506 1.00 55.25 H new ATOM 0 HB3 SER A 53 24.535 -8.413 -1.259 1.00 55.25 H new ATOM 0 HG SER A 53 25.966 -8.276 -3.464 1.00 11.34 H new ATOM 866 N TYR A 54 22.689 -9.721 -3.877 1.00 10.30 N ATOM 867 CA TYR A 54 22.625 -10.989 -4.593 1.00 31.31 C ATOM 868 C TYR A 54 21.450 -11.007 -5.566 1.00 43.35 C ATOM 869 O TYR A 54 21.020 -12.067 -6.020 1.00 30.33 O ATOM 870 CB TYR A 54 22.500 -12.151 -3.605 1.00 43.43 C ATOM 871 CG TYR A 54 23.807 -12.525 -2.943 1.00 60.43 C ATOM 872 CD1 TYR A 54 24.508 -11.604 -2.175 1.00 22.22 C ATOM 873 CD2 TYR A 54 24.341 -13.800 -3.087 1.00 40.11 C ATOM 874 CE1 TYR A 54 25.703 -11.942 -1.569 1.00 11.23 C ATOM 875 CE2 TYR A 54 25.534 -14.147 -2.483 1.00 42.34 C ATOM 876 CZ TYR A 54 26.211 -13.214 -1.725 1.00 64.35 C ATOM 877 OH TYR A 54 27.401 -13.555 -1.124 1.00 30.43 O ATOM 0 H TYR A 54 21.838 -9.480 -3.369 1.00 10.30 H new ATOM 0 HA TYR A 54 23.547 -11.102 -5.163 1.00 31.31 H new ATOM 0 HB2 TYR A 54 21.775 -11.886 -2.835 1.00 43.43 H new ATOM 0 HB3 TYR A 54 22.105 -13.022 -4.129 1.00 43.43 H new ATOM 0 HD1 TYR A 54 24.112 -10.607 -2.049 1.00 22.22 H new ATOM 0 HD2 TYR A 54 23.814 -14.532 -3.681 1.00 40.11 H new ATOM 0 HE1 TYR A 54 26.236 -11.213 -0.976 1.00 11.23 H new ATOM 0 HE2 TYR A 54 25.934 -15.143 -2.603 1.00 42.34 H new ATOM 0 HH TYR A 54 27.617 -14.488 -1.332 1.00 30.43 H new ATOM 887 N VAL A 55 20.936 -9.823 -5.884 1.00 41.23 N ATOM 888 CA VAL A 55 19.813 -9.700 -6.805 1.00 55.33 C ATOM 889 C VAL A 55 19.813 -8.339 -7.494 1.00 33.53 C ATOM 890 O VAL A 55 20.261 -7.344 -6.924 1.00 72.33 O ATOM 891 CB VAL A 55 18.468 -9.895 -6.080 1.00 20.53 C ATOM 892 CG1 VAL A 55 18.225 -11.370 -5.795 1.00 13.45 C ATOM 893 CG2 VAL A 55 18.433 -9.082 -4.794 1.00 65.55 C ATOM 0 H VAL A 55 21.280 -8.935 -5.517 1.00 41.23 H new ATOM 0 HA VAL A 55 19.931 -10.483 -7.554 1.00 55.33 H new ATOM 0 HB VAL A 55 17.669 -9.538 -6.730 1.00 20.53 H new ATOM 0 HG11 VAL A 55 17.270 -11.489 -5.282 1.00 13.45 H new ATOM 0 HG12 VAL A 55 18.204 -11.923 -6.734 1.00 13.45 H new ATOM 0 HG13 VAL A 55 19.026 -11.755 -5.164 1.00 13.45 H new ATOM 0 HG21 VAL A 55 17.476 -9.232 -4.295 1.00 65.55 H new ATOM 0 HG22 VAL A 55 19.240 -9.406 -4.137 1.00 65.55 H new ATOM 0 HG23 VAL A 55 18.559 -8.025 -5.028 1.00 65.55 H new ATOM 903 N ARG A 56 19.307 -8.304 -8.722 1.00 72.22 N ATOM 904 CA ARG A 56 19.249 -7.066 -9.489 1.00 41.33 C ATOM 905 C ARG A 56 17.803 -6.670 -9.775 1.00 4.01 C ATOM 906 O ARG A 56 17.069 -7.401 -10.441 1.00 24.15 O ATOM 907 CB ARG A 56 20.016 -7.219 -10.804 1.00 3.11 C ATOM 908 CG ARG A 56 19.752 -6.099 -11.797 1.00 65.02 C ATOM 909 CD ARG A 56 20.539 -6.298 -13.083 1.00 63.12 C ATOM 910 NE ARG A 56 21.838 -5.632 -13.039 1.00 22.12 N ATOM 911 CZ ARG A 56 22.858 -5.957 -13.826 1.00 11.13 C ATOM 912 NH1 ARG A 56 22.730 -6.933 -14.714 1.00 34.24 N ATOM 913 NH2 ARG A 56 24.009 -5.304 -13.726 1.00 32.12 N ATOM 0 H ARG A 56 18.931 -9.119 -9.207 1.00 72.22 H new ATOM 0 HA ARG A 56 19.713 -6.279 -8.895 1.00 41.33 H new ATOM 0 HB2 ARG A 56 21.084 -7.259 -10.589 1.00 3.11 H new ATOM 0 HB3 ARG A 56 19.748 -8.171 -11.263 1.00 3.11 H new ATOM 0 HG2 ARG A 56 18.687 -6.056 -12.024 1.00 65.02 H new ATOM 0 HG3 ARG A 56 20.021 -5.143 -11.349 1.00 65.02 H new ATOM 0 HD2 ARG A 56 20.684 -7.364 -13.258 1.00 63.12 H new ATOM 0 HD3 ARG A 56 19.962 -5.913 -13.924 1.00 63.12 H new ATOM 0 HE ARG A 56 21.969 -4.876 -12.367 1.00 22.12 H new ATOM 0 HH11 ARG A 56 21.847 -7.437 -14.794 1.00 34.24 H new ATOM 0 HH12 ARG A 56 23.515 -7.180 -15.317 1.00 34.24 H new ATOM 0 HH21 ARG A 56 24.111 -4.552 -13.045 1.00 32.12 H new ATOM 0 HH22 ARG A 56 24.791 -5.554 -14.331 1.00 32.12 H new ATOM 927 N ILE A 57 17.402 -5.510 -9.267 1.00 13.22 N ATOM 928 CA ILE A 57 16.045 -5.017 -9.468 1.00 34.32 C ATOM 929 C ILE A 57 15.820 -4.602 -10.918 1.00 34.12 C ATOM 930 O ILE A 57 16.457 -3.672 -11.414 1.00 21.53 O ATOM 931 CB ILE A 57 15.738 -3.820 -8.549 1.00 44.32 C ATOM 932 CG1 ILE A 57 16.139 -4.139 -7.108 1.00 31.45 C ATOM 933 CG2 ILE A 57 14.263 -3.456 -8.627 1.00 21.33 C ATOM 934 CD1 ILE A 57 15.333 -5.262 -6.491 1.00 43.43 C ATOM 0 H ILE A 57 17.997 -4.894 -8.713 1.00 13.22 H new ATOM 0 HA ILE A 57 15.372 -5.837 -9.219 1.00 34.32 H new ATOM 0 HB ILE A 57 16.321 -2.963 -8.887 1.00 44.32 H new ATOM 0 HG12 ILE A 57 17.196 -4.405 -7.084 1.00 31.45 H new ATOM 0 HG13 ILE A 57 16.022 -3.242 -6.500 1.00 31.45 H new ATOM 0 HG21 ILE A 57 14.062 -2.608 -7.972 1.00 21.33 H new ATOM 0 HG22 ILE A 57 14.008 -3.190 -9.653 1.00 21.33 H new ATOM 0 HG23 ILE A 57 13.661 -4.308 -8.312 1.00 21.33 H new ATOM 0 HD11 ILE A 57 15.671 -5.434 -5.469 1.00 43.43 H new ATOM 0 HD12 ILE A 57 14.277 -4.990 -6.483 1.00 43.43 H new ATOM 0 HD13 ILE A 57 15.469 -6.172 -7.076 1.00 43.43 H new ATOM 946 N ILE A 58 14.908 -5.296 -11.591 1.00 44.35 N ATOM 947 CA ILE A 58 14.597 -4.997 -12.984 1.00 1.12 C ATOM 948 C ILE A 58 13.090 -4.974 -13.218 1.00 24.14 C ATOM 949 O ILE A 58 12.310 -5.334 -12.336 1.00 54.23 O ATOM 950 CB ILE A 58 15.238 -6.023 -13.937 1.00 33.33 C ATOM 951 CG1 ILE A 58 14.814 -7.442 -13.552 1.00 61.41 C ATOM 952 CG2 ILE A 58 16.753 -5.893 -13.915 1.00 3.25 C ATOM 953 CD1 ILE A 58 14.895 -8.428 -14.697 1.00 35.13 C ATOM 0 H ILE A 58 14.372 -6.068 -11.195 1.00 44.35 H new ATOM 0 HA ILE A 58 15.010 -4.011 -13.195 1.00 1.12 H new ATOM 0 HB ILE A 58 14.891 -5.822 -14.951 1.00 33.33 H new ATOM 0 HG12 ILE A 58 15.446 -7.793 -12.736 1.00 61.41 H new ATOM 0 HG13 ILE A 58 13.791 -7.418 -13.176 1.00 61.41 H new ATOM 0 HG21 ILE A 58 17.191 -6.625 -14.594 1.00 3.25 H new ATOM 0 HG22 ILE A 58 17.037 -4.889 -14.232 1.00 3.25 H new ATOM 0 HG23 ILE A 58 17.119 -6.071 -12.904 1.00 3.25 H new ATOM 0 HD11 ILE A 58 14.580 -9.413 -14.352 1.00 35.13 H new ATOM 0 HD12 ILE A 58 14.242 -8.101 -15.506 1.00 35.13 H new ATOM 0 HD13 ILE A 58 15.922 -8.482 -15.059 1.00 35.13 H new ATOM 965 N ASP A 59 12.689 -4.551 -14.411 1.00 10.41 N ATOM 966 CA ASP A 59 11.275 -4.484 -14.763 1.00 3.43 C ATOM 967 C ASP A 59 10.949 -5.460 -15.888 1.00 55.24 C ATOM 968 O ASP A 59 11.778 -5.718 -16.762 1.00 3.54 O ATOM 969 CB ASP A 59 10.898 -3.061 -15.179 1.00 44.01 C ATOM 970 CG ASP A 59 9.409 -2.800 -15.068 1.00 20.54 C ATOM 971 OD1 ASP A 59 8.667 -3.741 -14.714 1.00 53.13 O ATOM 972 OD2 ASP A 59 8.986 -1.656 -15.333 1.00 32.13 O ATOM 0 H ASP A 59 13.323 -4.249 -15.151 1.00 10.41 H new ATOM 0 HA ASP A 59 10.693 -4.763 -13.885 1.00 3.43 H new ATOM 0 HB2 ASP A 59 11.436 -2.348 -14.554 1.00 44.01 H new ATOM 0 HB3 ASP A 59 11.218 -2.889 -16.207 1.00 44.01 H new ATOM 977 N LEU A 60 9.736 -6.001 -15.862 1.00 33.04 N ATOM 978 CA LEU A 60 9.299 -6.950 -16.879 1.00 71.55 C ATOM 979 C LEU A 60 9.040 -6.245 -18.207 1.00 13.02 C ATOM 980 O LEU A 60 9.299 -6.798 -19.275 1.00 54.44 O ATOM 981 CB LEU A 60 8.033 -7.676 -16.419 1.00 4.12 C ATOM 982 CG LEU A 60 8.250 -8.953 -15.606 1.00 11.20 C ATOM 983 CD1 LEU A 60 6.917 -9.534 -15.159 1.00 43.33 C ATOM 984 CD2 LEU A 60 9.034 -9.974 -16.417 1.00 22.45 C ATOM 0 H LEU A 60 9.037 -5.798 -15.147 1.00 33.04 H new ATOM 0 HA LEU A 60 10.096 -7.679 -17.025 1.00 71.55 H new ATOM 0 HB2 LEU A 60 7.439 -6.985 -15.821 1.00 4.12 H new ATOM 0 HB3 LEU A 60 7.441 -7.926 -17.300 1.00 4.12 H new ATOM 0 HG LEU A 60 8.830 -8.702 -14.718 1.00 11.20 H new ATOM 0 HD11 LEU A 60 7.091 -10.442 -14.582 1.00 43.33 H new ATOM 0 HD12 LEU A 60 6.392 -8.806 -14.540 1.00 43.33 H new ATOM 0 HD13 LEU A 60 6.312 -9.771 -16.034 1.00 43.33 H new ATOM 0 HD21 LEU A 60 9.179 -10.876 -15.823 1.00 22.45 H new ATOM 0 HD22 LEU A 60 8.481 -10.221 -17.323 1.00 22.45 H new ATOM 0 HD23 LEU A 60 10.004 -9.557 -16.687 1.00 22.45 H new ATOM 996 N MET A 61 8.529 -5.020 -18.130 1.00 70.43 N ATOM 997 CA MET A 61 8.238 -4.238 -19.326 1.00 63.01 C ATOM 998 C MET A 61 9.498 -3.556 -19.849 1.00 45.02 C ATOM 999 O MET A 61 9.601 -3.248 -21.037 1.00 4.34 O ATOM 1000 CB MET A 61 7.164 -3.191 -19.028 1.00 11.44 C ATOM 1001 CG MET A 61 5.983 -3.738 -18.242 1.00 3.10 C ATOM 1002 SD MET A 61 5.153 -5.095 -19.091 1.00 24.12 S ATOM 1003 CE MET A 61 5.387 -6.424 -17.913 1.00 61.31 C ATOM 0 H MET A 61 8.308 -4.548 -17.253 1.00 70.43 H new ATOM 0 HA MET A 61 7.869 -4.918 -20.094 1.00 63.01 H new ATOM 0 HB2 MET A 61 7.613 -2.371 -18.469 1.00 11.44 H new ATOM 0 HB3 MET A 61 6.803 -2.775 -19.969 1.00 11.44 H new ATOM 0 HG2 MET A 61 6.328 -4.082 -17.267 1.00 3.10 H new ATOM 0 HG3 MET A 61 5.268 -2.935 -18.062 1.00 3.10 H new ATOM 0 HE1 MET A 61 5.915 -7.248 -18.394 1.00 61.31 H new ATOM 0 HE2 MET A 61 5.972 -6.062 -17.068 1.00 61.31 H new ATOM 0 HE3 MET A 61 4.416 -6.772 -17.560 1.00 61.31 H new ATOM 1013 N ASP A 62 10.454 -3.323 -18.956 1.00 32.10 N ATOM 1014 CA ASP A 62 11.708 -2.678 -19.328 1.00 73.10 C ATOM 1015 C ASP A 62 12.841 -3.121 -18.408 1.00 33.32 C ATOM 1016 O ASP A 62 13.294 -2.377 -17.538 1.00 34.45 O ATOM 1017 CB ASP A 62 11.558 -1.157 -19.277 1.00 40.21 C ATOM 1018 CG ASP A 62 12.484 -0.451 -20.249 1.00 34.24 C ATOM 1019 OD1 ASP A 62 13.491 -1.064 -20.660 1.00 3.20 O ATOM 1020 OD2 ASP A 62 12.200 0.713 -20.598 1.00 52.43 O ATOM 0 H ASP A 62 10.384 -3.571 -17.969 1.00 32.10 H new ATOM 0 HA ASP A 62 11.954 -2.977 -20.347 1.00 73.10 H new ATOM 0 HB2 ASP A 62 10.526 -0.889 -19.503 1.00 40.21 H new ATOM 0 HB3 ASP A 62 11.764 -0.808 -18.265 1.00 40.21 H new ATOM 1025 N PRO A 63 13.310 -4.363 -18.602 1.00 41.30 N ATOM 1026 CA PRO A 63 14.396 -4.933 -17.799 1.00 34.21 C ATOM 1027 C PRO A 63 15.740 -4.274 -18.089 1.00 73.23 C ATOM 1028 O PRO A 63 16.725 -4.520 -17.395 1.00 22.43 O ATOM 1029 CB PRO A 63 14.418 -6.403 -18.225 1.00 75.24 C ATOM 1030 CG PRO A 63 13.839 -6.408 -19.598 1.00 41.13 C ATOM 1031 CD PRO A 63 12.818 -5.305 -19.621 1.00 55.30 C ATOM 0 HA PRO A 63 14.233 -4.787 -16.731 1.00 34.21 H new ATOM 0 HB2 PRO A 63 15.433 -6.801 -18.222 1.00 75.24 H new ATOM 0 HB3 PRO A 63 13.831 -7.021 -17.546 1.00 75.24 H new ATOM 0 HG2 PRO A 63 14.612 -6.240 -20.348 1.00 41.13 H new ATOM 0 HG3 PRO A 63 13.379 -7.370 -19.824 1.00 41.13 H new ATOM 0 HD2 PRO A 63 12.754 -4.837 -20.603 1.00 55.30 H new ATOM 0 HD3 PRO A 63 11.822 -5.675 -19.379 1.00 55.30 H new ATOM 1039 N ALA A 64 15.772 -3.435 -19.120 1.00 31.34 N ATOM 1040 CA ALA A 64 16.995 -2.739 -19.500 1.00 34.02 C ATOM 1041 C ALA A 64 17.067 -1.362 -18.849 1.00 42.21 C ATOM 1042 O ALA A 64 18.124 -0.731 -18.822 1.00 23.45 O ATOM 1043 CB ALA A 64 17.082 -2.615 -21.014 1.00 3.23 C ATOM 0 H ALA A 64 14.965 -3.221 -19.706 1.00 31.34 H new ATOM 0 HA ALA A 64 17.843 -3.324 -19.145 1.00 34.02 H new ATOM 0 HB1 ALA A 64 18.000 -2.093 -21.284 1.00 3.23 H new ATOM 0 HB2 ALA A 64 17.085 -3.609 -21.461 1.00 3.23 H new ATOM 0 HB3 ALA A 64 16.224 -2.054 -21.383 1.00 3.23 H new ATOM 1049 N LYS A 65 15.937 -0.899 -18.326 1.00 75.34 N ATOM 1050 CA LYS A 65 15.871 0.403 -17.675 1.00 11.41 C ATOM 1051 C LYS A 65 16.522 0.356 -16.296 1.00 70.33 C ATOM 1052 O LYS A 65 17.387 1.173 -15.979 1.00 71.51 O ATOM 1053 CB LYS A 65 14.416 0.860 -17.548 1.00 11.41 C ATOM 1054 CG LYS A 65 14.261 2.364 -17.401 1.00 43.23 C ATOM 1055 CD LYS A 65 12.867 2.738 -16.927 1.00 72.13 C ATOM 1056 CE LYS A 65 11.828 2.507 -18.014 1.00 42.53 C ATOM 1057 NZ LYS A 65 10.691 3.463 -17.906 1.00 70.24 N ATOM 0 H LYS A 65 15.053 -1.408 -18.341 1.00 75.34 H new ATOM 0 HA LYS A 65 16.417 1.117 -18.291 1.00 11.41 H new ATOM 0 HB2 LYS A 65 13.862 0.530 -18.427 1.00 11.41 H new ATOM 0 HB3 LYS A 65 13.964 0.371 -16.685 1.00 11.41 H new ATOM 0 HG2 LYS A 65 15.000 2.739 -16.693 1.00 43.23 H new ATOM 0 HG3 LYS A 65 14.463 2.846 -18.357 1.00 43.23 H new ATOM 0 HD2 LYS A 65 12.611 2.149 -16.046 1.00 72.13 H new ATOM 0 HD3 LYS A 65 12.853 3.785 -16.625 1.00 72.13 H new ATOM 0 HE2 LYS A 65 12.297 2.609 -18.993 1.00 42.53 H new ATOM 0 HE3 LYS A 65 11.452 1.486 -17.946 1.00 42.53 H new ATOM 0 HZ1 LYS A 65 10.005 3.273 -18.664 1.00 70.24 H new ATOM 0 HZ2 LYS A 65 10.227 3.348 -16.982 1.00 70.24 H new ATOM 0 HZ3 LYS A 65 11.046 4.436 -17.996 1.00 70.24 H new ATOM 1071 N TYR A 66 16.102 -0.606 -15.482 1.00 22.11 N ATOM 1072 CA TYR A 66 16.644 -0.759 -14.137 1.00 61.40 C ATOM 1073 C TYR A 66 17.772 -1.787 -14.118 1.00 35.02 C ATOM 1074 O TYR A 66 18.077 -2.371 -13.078 1.00 55.14 O ATOM 1075 CB TYR A 66 15.540 -1.179 -13.165 1.00 3.45 C ATOM 1076 CG TYR A 66 14.496 -0.109 -12.937 1.00 33.42 C ATOM 1077 CD1 TYR A 66 13.451 0.071 -13.834 1.00 54.12 C ATOM 1078 CD2 TYR A 66 14.554 0.720 -11.823 1.00 74.23 C ATOM 1079 CE1 TYR A 66 12.495 1.047 -13.630 1.00 54.33 C ATOM 1080 CE2 TYR A 66 13.601 1.698 -11.611 1.00 22.45 C ATOM 1081 CZ TYR A 66 12.574 1.858 -12.517 1.00 61.21 C ATOM 1082 OH TYR A 66 11.623 2.830 -12.310 1.00 11.33 O ATOM 0 H TYR A 66 15.388 -1.291 -15.730 1.00 22.11 H new ATOM 0 HA TYR A 66 17.048 0.203 -13.824 1.00 61.40 H new ATOM 0 HB2 TYR A 66 15.052 -2.075 -13.548 1.00 3.45 H new ATOM 0 HB3 TYR A 66 15.991 -1.445 -12.209 1.00 3.45 H new ATOM 0 HD1 TYR A 66 13.385 -0.563 -14.706 1.00 54.12 H new ATOM 0 HD2 TYR A 66 15.357 0.598 -11.111 1.00 74.23 H new ATOM 0 HE1 TYR A 66 11.690 1.174 -14.338 1.00 54.33 H new ATOM 0 HE2 TYR A 66 13.660 2.334 -10.740 1.00 22.45 H new ATOM 0 HH TYR A 66 11.823 3.312 -11.481 1.00 11.33 H new ATOM 1092 N ALA A 67 18.387 -2.002 -15.276 1.00 3.32 N ATOM 1093 CA ALA A 67 19.483 -2.956 -15.393 1.00 72.10 C ATOM 1094 C ALA A 67 20.821 -2.297 -15.076 1.00 61.23 C ATOM 1095 O ALA A 67 21.794 -2.974 -14.743 1.00 35.22 O ATOM 1096 CB ALA A 67 19.508 -3.562 -16.788 1.00 72.14 C ATOM 0 H ALA A 67 18.145 -1.529 -16.146 1.00 3.32 H new ATOM 0 HA ALA A 67 19.319 -3.751 -14.666 1.00 72.10 H new ATOM 0 HB1 ALA A 67 20.331 -4.273 -16.861 1.00 72.14 H new ATOM 0 HB2 ALA A 67 18.566 -4.077 -16.978 1.00 72.14 H new ATOM 0 HB3 ALA A 67 19.644 -2.771 -17.526 1.00 72.14 H new ATOM 1102 N SER A 68 20.864 -0.973 -15.184 1.00 34.14 N ATOM 1103 CA SER A 68 22.085 -0.223 -14.913 1.00 35.11 C ATOM 1104 C SER A 68 22.098 0.294 -13.477 1.00 72.54 C ATOM 1105 O SER A 68 23.154 0.602 -12.926 1.00 43.21 O ATOM 1106 CB SER A 68 22.216 0.947 -15.889 1.00 44.33 C ATOM 1107 OG SER A 68 23.575 1.298 -16.085 1.00 25.22 O ATOM 0 H SER A 68 20.067 -0.397 -15.457 1.00 34.14 H new ATOM 0 HA SER A 68 22.933 -0.895 -15.046 1.00 35.11 H new ATOM 0 HB2 SER A 68 21.765 0.680 -16.845 1.00 44.33 H new ATOM 0 HB3 SER A 68 21.667 1.807 -15.506 1.00 44.33 H new ATOM 0 HG SER A 68 23.632 2.047 -16.714 1.00 25.22 H new ATOM 1113 N VAL A 69 20.915 0.385 -12.877 1.00 42.12 N ATOM 1114 CA VAL A 69 20.789 0.863 -11.506 1.00 1.05 C ATOM 1115 C VAL A 69 21.727 0.107 -10.572 1.00 22.24 C ATOM 1116 O VAL A 69 22.028 -1.066 -10.793 1.00 72.34 O ATOM 1117 CB VAL A 69 19.344 0.719 -10.991 1.00 63.45 C ATOM 1118 CG1 VAL A 69 18.972 -0.749 -10.850 1.00 21.42 C ATOM 1119 CG2 VAL A 69 19.174 1.450 -9.669 1.00 3.33 C ATOM 0 H VAL A 69 20.031 0.134 -13.319 1.00 42.12 H new ATOM 0 HA VAL A 69 21.061 1.919 -11.513 1.00 1.05 H new ATOM 0 HB VAL A 69 18.670 1.172 -11.719 1.00 63.45 H new ATOM 0 HG11 VAL A 69 17.948 -0.831 -10.485 1.00 21.42 H new ATOM 0 HG12 VAL A 69 19.052 -1.239 -11.820 1.00 21.42 H new ATOM 0 HG13 VAL A 69 19.649 -1.230 -10.143 1.00 21.42 H new ATOM 0 HG21 VAL A 69 18.147 1.337 -9.320 1.00 3.33 H new ATOM 0 HG22 VAL A 69 19.856 1.029 -8.930 1.00 3.33 H new ATOM 0 HG23 VAL A 69 19.396 2.508 -9.807 1.00 3.33 H new ATOM 1129 N ASP A 70 22.186 0.786 -9.526 1.00 62.12 N ATOM 1130 CA ASP A 70 23.090 0.178 -8.556 1.00 73.13 C ATOM 1131 C ASP A 70 22.328 -0.277 -7.315 1.00 61.54 C ATOM 1132 O ASP A 70 21.920 0.539 -6.489 1.00 51.30 O ATOM 1133 CB ASP A 70 24.188 1.166 -8.162 1.00 24.14 C ATOM 1134 CG ASP A 70 25.564 0.529 -8.154 1.00 2.05 C ATOM 1135 OD1 ASP A 70 25.641 -0.714 -8.068 1.00 64.20 O ATOM 1136 OD2 ASP A 70 26.564 1.274 -8.232 1.00 33.11 O ATOM 0 H ASP A 70 21.947 1.758 -9.328 1.00 62.12 H new ATOM 0 HA ASP A 70 23.548 -0.696 -9.020 1.00 73.13 H new ATOM 0 HB2 ASP A 70 24.184 2.006 -8.857 1.00 24.14 H new ATOM 0 HB3 ASP A 70 23.972 1.570 -7.173 1.00 24.14 H new ATOM 1141 N THR A 71 22.139 -1.588 -7.191 1.00 13.51 N ATOM 1142 CA THR A 71 21.424 -2.152 -6.053 1.00 4.23 C ATOM 1143 C THR A 71 22.222 -1.984 -4.765 1.00 3.23 C ATOM 1144 O THR A 71 21.661 -1.689 -3.709 1.00 71.23 O ATOM 1145 CB THR A 71 21.122 -3.647 -6.265 1.00 31.24 C ATOM 1146 OG1 THR A 71 22.006 -4.191 -7.251 1.00 51.23 O ATOM 1147 CG2 THR A 71 19.679 -3.851 -6.702 1.00 1.24 C ATOM 0 H THR A 71 22.471 -2.278 -7.865 1.00 13.51 H new ATOM 0 HA THR A 71 20.484 -1.607 -5.968 1.00 4.23 H new ATOM 0 HB THR A 71 21.274 -4.163 -5.317 1.00 31.24 H new ATOM 0 HG1 THR A 71 21.808 -5.142 -7.378 1.00 51.23 H new ATOM 0 HG21 THR A 71 19.489 -4.915 -6.846 1.00 1.24 H new ATOM 0 HG22 THR A 71 19.008 -3.463 -5.935 1.00 1.24 H new ATOM 0 HG23 THR A 71 19.504 -3.322 -7.639 1.00 1.24 H new ATOM 1155 N TYR A 72 23.534 -2.172 -4.858 1.00 72.31 N ATOM 1156 CA TYR A 72 24.409 -2.043 -3.699 1.00 70.11 C ATOM 1157 C TYR A 72 24.219 -0.690 -3.021 1.00 14.13 C ATOM 1158 O TYR A 72 24.134 -0.603 -1.796 1.00 24.45 O ATOM 1159 CB TYR A 72 25.871 -2.216 -4.115 1.00 74.35 C ATOM 1160 CG TYR A 72 26.848 -2.059 -2.973 1.00 44.20 C ATOM 1161 CD1 TYR A 72 26.728 -2.824 -1.820 1.00 21.25 C ATOM 1162 CD2 TYR A 72 27.892 -1.144 -3.046 1.00 73.34 C ATOM 1163 CE1 TYR A 72 27.619 -2.683 -0.773 1.00 33.42 C ATOM 1164 CE2 TYR A 72 28.788 -0.998 -2.005 1.00 53.13 C ATOM 1165 CZ TYR A 72 28.647 -1.769 -0.871 1.00 30.44 C ATOM 1166 OH TYR A 72 29.537 -1.625 0.169 1.00 33.42 O ATOM 0 H TYR A 72 24.015 -2.414 -5.724 1.00 72.31 H new ATOM 0 HA TYR A 72 24.145 -2.826 -2.988 1.00 70.11 H new ATOM 0 HB2 TYR A 72 25.999 -3.203 -4.559 1.00 74.35 H new ATOM 0 HB3 TYR A 72 26.109 -1.486 -4.888 1.00 74.35 H new ATOM 0 HD1 TYR A 72 25.925 -3.541 -1.740 1.00 21.25 H new ATOM 0 HD2 TYR A 72 28.004 -0.537 -3.932 1.00 73.34 H new ATOM 0 HE1 TYR A 72 27.511 -3.285 0.117 1.00 33.42 H new ATOM 0 HE2 TYR A 72 29.595 -0.284 -2.079 1.00 53.13 H new ATOM 0 HH TYR A 72 30.200 -0.941 -0.060 1.00 33.42 H new ATOM 1176 N ASP A 73 24.151 0.364 -3.827 1.00 21.13 N ATOM 1177 CA ASP A 73 23.969 1.714 -3.306 1.00 72.03 C ATOM 1178 C ASP A 73 22.620 1.849 -2.607 1.00 10.24 C ATOM 1179 O ASP A 73 21.572 1.853 -3.253 1.00 1.32 O ATOM 1180 CB ASP A 73 24.076 2.738 -4.437 1.00 54.22 C ATOM 1181 CG ASP A 73 25.513 3.092 -4.764 1.00 61.32 C ATOM 1182 OD1 ASP A 73 26.230 2.222 -5.302 1.00 52.32 O ATOM 1183 OD2 ASP A 73 25.922 4.238 -4.481 1.00 72.34 O ATOM 0 H ASP A 73 24.219 0.310 -4.843 1.00 21.13 H new ATOM 0 HA ASP A 73 24.756 1.905 -2.577 1.00 72.03 H new ATOM 0 HB2 ASP A 73 23.591 2.342 -5.329 1.00 54.22 H new ATOM 0 HB3 ASP A 73 23.537 3.643 -4.156 1.00 54.22 H new ATOM 1188 N ARG A 74 22.654 1.959 -1.283 1.00 23.54 N ATOM 1189 CA ARG A 74 21.435 2.091 -0.495 1.00 54.41 C ATOM 1190 C ARG A 74 20.604 3.278 -0.975 1.00 71.13 C ATOM 1191 O ARG A 74 19.387 3.309 -0.794 1.00 42.14 O ATOM 1192 CB ARG A 74 21.775 2.260 0.987 1.00 72.21 C ATOM 1193 CG ARG A 74 22.270 3.652 1.344 1.00 74.12 C ATOM 1194 CD ARG A 74 23.655 3.914 0.774 1.00 21.45 C ATOM 1195 NE ARG A 74 24.595 2.848 1.111 1.00 63.12 N ATOM 1196 CZ ARG A 74 25.777 2.698 0.523 1.00 4.34 C ATOM 1197 NH1 ARG A 74 26.162 3.542 -0.424 1.00 71.13 N ATOM 1198 NH2 ARG A 74 26.578 1.703 0.884 1.00 13.33 N ATOM 0 H ARG A 74 23.513 1.959 -0.733 1.00 23.54 H new ATOM 0 HA ARG A 74 20.849 1.181 -0.625 1.00 54.41 H new ATOM 0 HB2 ARG A 74 20.890 2.035 1.582 1.00 72.21 H new ATOM 0 HB3 ARG A 74 22.538 1.531 1.261 1.00 72.21 H new ATOM 0 HG2 ARG A 74 21.571 4.397 0.962 1.00 74.12 H new ATOM 0 HG3 ARG A 74 22.294 3.764 2.428 1.00 74.12 H new ATOM 0 HD2 ARG A 74 23.589 4.010 -0.310 1.00 21.45 H new ATOM 0 HD3 ARG A 74 24.031 4.863 1.156 1.00 21.45 H new ATOM 0 HE ARG A 74 24.330 2.183 1.837 1.00 63.12 H new ATOM 0 HH11 ARG A 74 25.550 4.309 -0.703 1.00 71.13 H new ATOM 0 HH12 ARG A 74 27.070 3.424 -0.874 1.00 71.13 H new ATOM 0 HH21 ARG A 74 26.286 1.053 1.614 1.00 13.33 H new ATOM 0 HH22 ARG A 74 27.485 1.589 0.432 1.00 13.33 H new ATOM 1212 N GLU A 75 21.271 4.252 -1.587 1.00 72.42 N ATOM 1213 CA GLU A 75 20.594 5.440 -2.092 1.00 15.32 C ATOM 1214 C GLU A 75 19.657 5.086 -3.244 1.00 24.45 C ATOM 1215 O GLU A 75 18.468 5.398 -3.208 1.00 13.31 O ATOM 1216 CB GLU A 75 21.617 6.480 -2.553 1.00 53.15 C ATOM 1217 CG GLU A 75 21.930 7.533 -1.504 1.00 42.31 C ATOM 1218 CD GLU A 75 22.745 8.686 -2.059 1.00 74.32 C ATOM 1219 OE1 GLU A 75 23.892 8.449 -2.490 1.00 24.42 O ATOM 1220 OE2 GLU A 75 22.233 9.825 -2.063 1.00 41.11 O ATOM 0 H GLU A 75 22.279 4.241 -1.745 1.00 72.42 H new ATOM 0 HA GLU A 75 20.000 5.860 -1.280 1.00 15.32 H new ATOM 0 HB2 GLU A 75 22.540 5.971 -2.831 1.00 53.15 H new ATOM 0 HB3 GLU A 75 21.242 6.973 -3.450 1.00 53.15 H new ATOM 0 HG2 GLU A 75 20.997 7.918 -1.091 1.00 42.31 H new ATOM 0 HG3 GLU A 75 22.475 7.070 -0.682 1.00 42.31 H new ATOM 1227 N GLN A 76 20.205 4.432 -4.263 1.00 34.50 N ATOM 1228 CA GLN A 76 19.419 4.035 -5.426 1.00 10.52 C ATOM 1229 C GLN A 76 18.269 3.120 -5.020 1.00 20.34 C ATOM 1230 O GLN A 76 17.104 3.412 -5.288 1.00 51.54 O ATOM 1231 CB GLN A 76 20.308 3.332 -6.453 1.00 1.41 C ATOM 1232 CG GLN A 76 21.541 4.133 -6.840 1.00 1.13 C ATOM 1233 CD GLN A 76 21.485 4.637 -8.268 1.00 63.14 C ATOM 1234 OE1 GLN A 76 22.444 4.214 -9.083 1.00 2.42 O flip ATOM 1235 NE2 GLN A 76 20.590 5.398 -8.636 1.00 64.35 N flip ATOM 0 H GLN A 76 21.189 4.166 -4.307 1.00 34.50 H new ATOM 0 HA GLN A 76 19.001 4.936 -5.875 1.00 10.52 H new ATOM 0 HB2 GLN A 76 20.622 2.369 -6.051 1.00 1.41 H new ATOM 0 HB3 GLN A 76 19.722 3.127 -7.349 1.00 1.41 H new ATOM 0 HG2 GLN A 76 21.646 4.981 -6.163 1.00 1.13 H new ATOM 0 HG3 GLN A 76 22.428 3.512 -6.712 1.00 1.13 H new ATOM 0 HE21 GLN A 76 19.872 5.698 -7.976 1.00 64.35 H new ATOM 0 HE22 GLN A 76 20.566 5.728 -9.601 1.00 64.35 H new ATOM 1244 N VAL A 77 18.604 2.009 -4.371 1.00 3.14 N ATOM 1245 CA VAL A 77 17.600 1.050 -3.926 1.00 53.35 C ATOM 1246 C VAL A 77 16.512 1.734 -3.106 1.00 1.32 C ATOM 1247 O VAL A 77 15.354 1.317 -3.121 1.00 5.23 O ATOM 1248 CB VAL A 77 18.231 -0.075 -3.085 1.00 70.04 C ATOM 1249 CG1 VAL A 77 18.257 0.309 -1.614 1.00 30.53 C ATOM 1250 CG2 VAL A 77 17.477 -1.380 -3.291 1.00 64.34 C ATOM 0 H VAL A 77 19.564 1.751 -4.142 1.00 3.14 H new ATOM 0 HA VAL A 77 17.157 0.617 -4.823 1.00 53.35 H new ATOM 0 HB VAL A 77 19.259 -0.220 -3.416 1.00 70.04 H new ATOM 0 HG11 VAL A 77 18.706 -0.498 -1.035 1.00 30.53 H new ATOM 0 HG12 VAL A 77 18.844 1.218 -1.486 1.00 30.53 H new ATOM 0 HG13 VAL A 77 17.239 0.482 -1.265 1.00 30.53 H new ATOM 0 HG21 VAL A 77 17.936 -2.164 -2.689 1.00 64.34 H new ATOM 0 HG22 VAL A 77 16.438 -1.252 -2.988 1.00 64.34 H new ATOM 0 HG23 VAL A 77 17.516 -1.660 -4.344 1.00 64.34 H new ATOM 1260 N MET A 78 16.893 2.788 -2.391 1.00 33.14 N ATOM 1261 CA MET A 78 15.949 3.531 -1.564 1.00 53.53 C ATOM 1262 C MET A 78 14.937 4.275 -2.430 1.00 51.32 C ATOM 1263 O MET A 78 13.727 4.122 -2.260 1.00 62.25 O ATOM 1264 CB MET A 78 16.694 4.521 -0.666 1.00 34.20 C ATOM 1265 CG MET A 78 16.919 4.007 0.747 1.00 45.41 C ATOM 1266 SD MET A 78 17.462 5.302 1.878 1.00 45.51 S ATOM 1267 CE MET A 78 19.240 5.098 1.799 1.00 61.34 C ATOM 0 H MET A 78 17.848 3.146 -2.368 1.00 33.14 H new ATOM 0 HA MET A 78 15.412 2.818 -0.939 1.00 53.53 H new ATOM 0 HB2 MET A 78 17.658 4.754 -1.117 1.00 34.20 H new ATOM 0 HB3 MET A 78 16.130 5.453 -0.620 1.00 34.20 H new ATOM 0 HG2 MET A 78 15.994 3.567 1.121 1.00 45.41 H new ATOM 0 HG3 MET A 78 17.664 3.212 0.726 1.00 45.41 H new ATOM 0 HE1 MET A 78 19.689 5.461 2.724 1.00 61.34 H new ATOM 0 HE2 MET A 78 19.480 4.043 1.669 1.00 61.34 H new ATOM 0 HE3 MET A 78 19.634 5.666 0.957 1.00 61.34 H new ATOM 1277 N LYS A 79 15.439 5.082 -3.359 1.00 4.13 N ATOM 1278 CA LYS A 79 14.580 5.850 -4.252 1.00 62.54 C ATOM 1279 C LYS A 79 13.616 4.934 -4.999 1.00 75.21 C ATOM 1280 O LYS A 79 12.446 5.270 -5.187 1.00 32.13 O ATOM 1281 CB LYS A 79 15.427 6.640 -5.252 1.00 55.55 C ATOM 1282 CG LYS A 79 16.347 7.658 -4.600 1.00 73.40 C ATOM 1283 CD LYS A 79 17.598 7.890 -5.430 1.00 3.24 C ATOM 1284 CE LYS A 79 18.472 8.979 -4.827 1.00 3.24 C ATOM 1285 NZ LYS A 79 18.005 10.341 -5.209 1.00 20.52 N ATOM 0 H LYS A 79 16.438 5.221 -3.513 1.00 4.13 H new ATOM 0 HA LYS A 79 13.998 6.546 -3.648 1.00 62.54 H new ATOM 0 HB2 LYS A 79 16.027 5.943 -5.837 1.00 55.55 H new ATOM 0 HB3 LYS A 79 14.765 7.155 -5.949 1.00 55.55 H new ATOM 0 HG2 LYS A 79 15.815 8.600 -4.471 1.00 73.40 H new ATOM 0 HG3 LYS A 79 16.628 7.312 -3.605 1.00 73.40 H new ATOM 0 HD2 LYS A 79 18.167 6.963 -5.500 1.00 3.24 H new ATOM 0 HD3 LYS A 79 17.316 8.169 -6.445 1.00 3.24 H new ATOM 0 HE2 LYS A 79 18.470 8.886 -3.741 1.00 3.24 H new ATOM 0 HE3 LYS A 79 19.502 8.842 -5.157 1.00 3.24 H new ATOM 0 HZ1 LYS A 79 18.627 11.055 -4.778 1.00 20.52 H new ATOM 0 HZ2 LYS A 79 18.030 10.439 -6.244 1.00 20.52 H new ATOM 0 HZ3 LYS A 79 17.031 10.481 -4.872 1.00 20.52 H new ATOM 1299 N ILE A 80 14.113 3.776 -5.421 1.00 52.22 N ATOM 1300 CA ILE A 80 13.294 2.812 -6.145 1.00 34.23 C ATOM 1301 C ILE A 80 12.175 2.269 -5.262 1.00 53.20 C ATOM 1302 O ILE A 80 11.000 2.330 -5.625 1.00 14.03 O ATOM 1303 CB ILE A 80 14.138 1.634 -6.666 1.00 3.15 C ATOM 1304 CG1 ILE A 80 15.212 2.137 -7.633 1.00 32.40 C ATOM 1305 CG2 ILE A 80 13.248 0.603 -7.343 1.00 23.44 C ATOM 1306 CD1 ILE A 80 16.100 1.038 -8.174 1.00 20.04 C ATOM 0 H ILE A 80 15.079 3.483 -5.274 1.00 52.22 H new ATOM 0 HA ILE A 80 12.861 3.341 -6.994 1.00 34.23 H new ATOM 0 HB ILE A 80 14.632 1.157 -5.819 1.00 3.15 H new ATOM 0 HG12 ILE A 80 14.729 2.646 -8.467 1.00 32.40 H new ATOM 0 HG13 ILE A 80 15.831 2.876 -7.124 1.00 32.40 H new ATOM 0 HG21 ILE A 80 13.859 -0.223 -7.706 1.00 23.44 H new ATOM 0 HG22 ILE A 80 12.517 0.227 -6.627 1.00 23.44 H new ATOM 0 HG23 ILE A 80 12.728 1.066 -8.182 1.00 23.44 H new ATOM 0 HD11 ILE A 80 16.838 1.467 -8.852 1.00 20.04 H new ATOM 0 HD12 ILE A 80 16.611 0.543 -7.348 1.00 20.04 H new ATOM 0 HD13 ILE A 80 15.492 0.311 -8.712 1.00 20.04 H new ATOM 1318 N ILE A 81 12.548 1.741 -4.101 1.00 72.35 N ATOM 1319 CA ILE A 81 11.575 1.190 -3.166 1.00 4.25 C ATOM 1320 C ILE A 81 10.573 2.252 -2.726 1.00 42.10 C ATOM 1321 O ILE A 81 9.422 1.944 -2.416 1.00 62.24 O ATOM 1322 CB ILE A 81 12.264 0.603 -1.919 1.00 74.22 C ATOM 1323 CG1 ILE A 81 13.124 -0.602 -2.305 1.00 71.31 C ATOM 1324 CG2 ILE A 81 11.227 0.209 -0.878 1.00 32.30 C ATOM 1325 CD1 ILE A 81 14.000 -1.105 -1.179 1.00 11.31 C ATOM 0 H ILE A 81 13.516 1.683 -3.786 1.00 72.35 H new ATOM 0 HA ILE A 81 11.049 0.393 -3.691 1.00 4.25 H new ATOM 0 HB ILE A 81 12.913 1.365 -1.487 1.00 74.22 H new ATOM 0 HG12 ILE A 81 12.473 -1.411 -2.637 1.00 71.31 H new ATOM 0 HG13 ILE A 81 13.755 -0.332 -3.152 1.00 71.31 H new ATOM 0 HG21 ILE A 81 11.729 -0.204 -0.003 1.00 32.30 H new ATOM 0 HG22 ILE A 81 10.653 1.088 -0.586 1.00 32.30 H new ATOM 0 HG23 ILE A 81 10.556 -0.540 -1.298 1.00 32.30 H new ATOM 0 HD11 ILE A 81 14.581 -1.960 -1.524 1.00 11.31 H new ATOM 0 HD12 ILE A 81 14.676 -0.311 -0.861 1.00 11.31 H new ATOM 0 HD13 ILE A 81 13.375 -1.407 -0.339 1.00 11.31 H new ATOM 1337 N ASP A 82 11.018 3.504 -2.703 1.00 31.31 N ATOM 1338 CA ASP A 82 10.159 4.613 -2.304 1.00 63.03 C ATOM 1339 C ASP A 82 9.098 4.887 -3.365 1.00 34.31 C ATOM 1340 O ASP A 82 7.906 4.938 -3.064 1.00 74.00 O ATOM 1341 CB ASP A 82 10.995 5.872 -2.064 1.00 75.43 C ATOM 1342 CG ASP A 82 10.223 6.946 -1.323 1.00 21.42 C ATOM 1343 OD1 ASP A 82 9.986 6.775 -0.108 1.00 42.13 O ATOM 1344 OD2 ASP A 82 9.857 7.957 -1.957 1.00 10.14 O ATOM 0 H ASP A 82 11.968 3.776 -2.956 1.00 31.31 H new ATOM 0 HA ASP A 82 9.657 4.337 -1.377 1.00 63.03 H new ATOM 0 HB2 ASP A 82 11.886 5.610 -1.494 1.00 75.43 H new ATOM 0 HB3 ASP A 82 11.334 6.267 -3.021 1.00 75.43 H new ATOM 1349 N GLU A 83 9.540 5.063 -4.606 1.00 72.42 N ATOM 1350 CA GLU A 83 8.627 5.333 -5.711 1.00 12.15 C ATOM 1351 C GLU A 83 7.743 4.122 -5.995 1.00 13.13 C ATOM 1352 O GLU A 83 6.597 4.263 -6.424 1.00 65.42 O ATOM 1353 CB GLU A 83 9.411 5.712 -6.969 1.00 12.34 C ATOM 1354 CG GLU A 83 9.892 7.154 -6.974 1.00 61.54 C ATOM 1355 CD GLU A 83 10.280 7.645 -5.593 1.00 62.33 C ATOM 1356 OE1 GLU A 83 9.372 7.986 -4.808 1.00 11.25 O ATOM 1357 OE2 GLU A 83 11.493 7.687 -5.299 1.00 21.15 O ATOM 0 H GLU A 83 10.524 5.024 -4.872 1.00 72.42 H new ATOM 0 HA GLU A 83 7.988 6.168 -5.424 1.00 12.15 H new ATOM 0 HB2 GLU A 83 10.272 5.050 -7.064 1.00 12.34 H new ATOM 0 HB3 GLU A 83 8.782 5.544 -7.843 1.00 12.34 H new ATOM 0 HG2 GLU A 83 10.749 7.245 -7.642 1.00 61.54 H new ATOM 0 HG3 GLU A 83 9.106 7.794 -7.375 1.00 61.54 H new ATOM 1364 N PHE A 84 8.283 2.933 -5.752 1.00 62.43 N ATOM 1365 CA PHE A 84 7.545 1.696 -5.983 1.00 43.22 C ATOM 1366 C PHE A 84 6.609 1.396 -4.816 1.00 71.35 C ATOM 1367 O PHE A 84 5.811 0.459 -4.870 1.00 45.23 O ATOM 1368 CB PHE A 84 8.514 0.530 -6.188 1.00 21.32 C ATOM 1369 CG PHE A 84 8.960 0.363 -7.612 1.00 52.44 C ATOM 1370 CD1 PHE A 84 9.417 1.450 -8.340 1.00 52.25 C ATOM 1371 CD2 PHE A 84 8.922 -0.880 -8.223 1.00 44.54 C ATOM 1372 CE1 PHE A 84 9.827 1.300 -9.652 1.00 32.02 C ATOM 1373 CE2 PHE A 84 9.331 -1.036 -9.534 1.00 45.14 C ATOM 1374 CZ PHE A 84 9.785 0.055 -10.249 1.00 43.21 C ATOM 0 H PHE A 84 9.229 2.799 -5.395 1.00 62.43 H new ATOM 0 HA PHE A 84 6.945 1.823 -6.884 1.00 43.22 H new ATOM 0 HB2 PHE A 84 9.390 0.681 -5.557 1.00 21.32 H new ATOM 0 HB3 PHE A 84 8.036 -0.391 -5.855 1.00 21.32 H new ATOM 0 HD1 PHE A 84 9.453 2.425 -7.877 1.00 52.25 H new ATOM 0 HD2 PHE A 84 8.569 -1.737 -7.668 1.00 44.54 H new ATOM 0 HE1 PHE A 84 10.180 2.155 -10.209 1.00 32.02 H new ATOM 0 HE2 PHE A 84 9.296 -2.010 -9.999 1.00 45.14 H new ATOM 0 HZ PHE A 84 10.107 -0.065 -11.273 1.00 43.21 H new ATOM 1384 N LYS A 85 6.712 2.197 -3.762 1.00 30.14 N ATOM 1385 CA LYS A 85 5.875 2.019 -2.581 1.00 3.43 C ATOM 1386 C LYS A 85 5.919 0.574 -2.095 1.00 4.21 C ATOM 1387 O LYS A 85 4.892 -0.001 -1.736 1.00 34.15 O ATOM 1388 CB LYS A 85 4.431 2.421 -2.888 1.00 41.35 C ATOM 1389 CG LYS A 85 4.219 3.924 -2.956 1.00 21.22 C ATOM 1390 CD LYS A 85 4.620 4.483 -4.310 1.00 40.44 C ATOM 1391 CE LYS A 85 3.784 5.699 -4.681 1.00 21.11 C ATOM 1392 NZ LYS A 85 2.346 5.352 -4.853 1.00 21.35 N ATOM 0 H LYS A 85 7.367 2.976 -3.701 1.00 30.14 H new ATOM 0 HA LYS A 85 6.264 2.661 -1.791 1.00 3.43 H new ATOM 0 HB2 LYS A 85 4.133 1.977 -3.838 1.00 41.35 H new ATOM 0 HB3 LYS A 85 3.776 2.004 -2.123 1.00 41.35 H new ATOM 0 HG2 LYS A 85 3.171 4.154 -2.762 1.00 21.22 H new ATOM 0 HG3 LYS A 85 4.802 4.410 -2.174 1.00 21.22 H new ATOM 0 HD2 LYS A 85 5.675 4.757 -4.294 1.00 40.44 H new ATOM 0 HD3 LYS A 85 4.502 3.713 -5.072 1.00 40.44 H new ATOM 0 HE2 LYS A 85 3.884 6.459 -3.906 1.00 21.11 H new ATOM 0 HE3 LYS A 85 4.166 6.134 -5.605 1.00 21.11 H new ATOM 0 HZ1 LYS A 85 1.900 6.033 -5.500 1.00 21.35 H new ATOM 0 HZ2 LYS A 85 2.265 4.394 -5.249 1.00 21.35 H new ATOM 0 HZ3 LYS A 85 1.868 5.387 -3.930 1.00 21.35 H new ATOM 1406 N ILE A 86 7.115 -0.006 -2.085 1.00 52.25 N ATOM 1407 CA ILE A 86 7.292 -1.383 -1.641 1.00 52.31 C ATOM 1408 C ILE A 86 7.348 -1.466 -0.120 1.00 22.35 C ATOM 1409 O ILE A 86 8.224 -0.891 0.527 1.00 40.24 O ATOM 1410 CB ILE A 86 8.575 -2.003 -2.226 1.00 14.40 C ATOM 1411 CG1 ILE A 86 8.794 -1.516 -3.660 1.00 23.11 C ATOM 1412 CG2 ILE A 86 8.497 -3.521 -2.182 1.00 75.32 C ATOM 1413 CD1 ILE A 86 10.024 -2.104 -4.316 1.00 1.13 C ATOM 0 H ILE A 86 7.975 0.456 -2.379 1.00 52.25 H new ATOM 0 HA ILE A 86 6.430 -1.945 -2.002 1.00 52.31 H new ATOM 0 HB ILE A 86 9.424 -1.685 -1.621 1.00 14.40 H new ATOM 0 HG12 ILE A 86 7.918 -1.767 -4.258 1.00 23.11 H new ATOM 0 HG13 ILE A 86 8.878 -0.429 -3.657 1.00 23.11 H new ATOM 0 HG21 ILE A 86 9.411 -3.945 -2.599 1.00 75.32 H new ATOM 0 HG22 ILE A 86 8.383 -3.850 -1.149 1.00 75.32 H new ATOM 0 HG23 ILE A 86 7.641 -3.858 -2.767 1.00 75.32 H new ATOM 0 HD11 ILE A 86 10.117 -1.715 -5.330 1.00 1.13 H new ATOM 0 HD12 ILE A 86 10.909 -1.832 -3.741 1.00 1.13 H new ATOM 0 HD13 ILE A 86 9.934 -3.190 -4.351 1.00 1.13 H new ATOM 1425 N PRO A 87 6.393 -2.202 0.468 1.00 12.45 N ATOM 1426 CA PRO A 87 6.313 -2.381 1.921 1.00 2.52 C ATOM 1427 C PRO A 87 7.448 -3.244 2.462 1.00 12.00 C ATOM 1428 O PRO A 87 8.026 -4.054 1.737 1.00 43.24 O ATOM 1429 CB PRO A 87 4.967 -3.081 2.119 1.00 32.31 C ATOM 1430 CG PRO A 87 4.711 -3.782 0.830 1.00 64.15 C ATOM 1431 CD PRO A 87 5.317 -2.916 -0.240 1.00 1.43 C ATOM 0 HA PRO A 87 6.398 -1.434 2.454 1.00 2.52 H new ATOM 0 HB2 PRO A 87 5.005 -3.784 2.951 1.00 32.31 H new ATOM 0 HB3 PRO A 87 4.177 -2.364 2.343 1.00 32.31 H new ATOM 0 HG2 PRO A 87 5.161 -4.775 0.830 1.00 64.15 H new ATOM 0 HG3 PRO A 87 3.642 -3.916 0.664 1.00 64.15 H new ATOM 0 HD2 PRO A 87 5.706 -3.511 -1.066 1.00 1.43 H new ATOM 0 HD3 PRO A 87 4.586 -2.226 -0.661 1.00 1.43 H new ATOM 1439 N THR A 88 7.762 -3.067 3.742 1.00 41.24 N ATOM 1440 CA THR A 88 8.828 -3.829 4.379 1.00 31.25 C ATOM 1441 C THR A 88 8.348 -5.221 4.774 1.00 32.14 C ATOM 1442 O THR A 88 7.177 -5.558 4.600 1.00 55.43 O ATOM 1443 CB THR A 88 9.362 -3.108 5.631 1.00 24.55 C ATOM 1444 OG1 THR A 88 8.932 -1.743 5.632 1.00 42.34 O ATOM 1445 CG2 THR A 88 10.882 -3.167 5.682 1.00 14.13 C ATOM 0 H THR A 88 7.293 -2.402 4.357 1.00 41.24 H new ATOM 0 HA THR A 88 9.633 -3.919 3.649 1.00 31.25 H new ATOM 0 HB THR A 88 8.965 -3.613 6.511 1.00 24.55 H new ATOM 0 HG1 THR A 88 9.275 -1.293 6.432 1.00 42.34 H new ATOM 0 HG21 THR A 88 11.236 -2.651 6.575 1.00 14.13 H new ATOM 0 HG22 THR A 88 11.205 -4.208 5.712 1.00 14.13 H new ATOM 0 HG23 THR A 88 11.295 -2.684 4.796 1.00 14.13 H new ATOM 1453 N VAL A 89 9.260 -6.027 5.309 1.00 72.23 N ATOM 1454 CA VAL A 89 8.929 -7.383 5.730 1.00 14.05 C ATOM 1455 C VAL A 89 7.804 -7.379 6.759 1.00 35.03 C ATOM 1456 O VAL A 89 6.796 -8.066 6.594 1.00 50.43 O ATOM 1457 CB VAL A 89 10.154 -8.100 6.328 1.00 13.25 C ATOM 1458 CG1 VAL A 89 9.780 -9.499 6.792 1.00 31.43 C ATOM 1459 CG2 VAL A 89 11.288 -8.150 5.316 1.00 52.01 C ATOM 0 H VAL A 89 10.234 -5.764 5.461 1.00 72.23 H new ATOM 0 HA VAL A 89 8.602 -7.920 4.840 1.00 14.05 H new ATOM 0 HB VAL A 89 10.496 -7.535 7.195 1.00 13.25 H new ATOM 0 HG11 VAL A 89 10.658 -9.990 7.211 1.00 31.43 H new ATOM 0 HG12 VAL A 89 9.002 -9.434 7.553 1.00 31.43 H new ATOM 0 HG13 VAL A 89 9.411 -10.077 5.945 1.00 31.43 H new ATOM 0 HG21 VAL A 89 12.145 -8.660 5.755 1.00 52.01 H new ATOM 0 HG22 VAL A 89 10.960 -8.691 4.428 1.00 52.01 H new ATOM 0 HG23 VAL A 89 11.573 -7.135 5.038 1.00 52.01 H new ATOM 1469 N GLU A 90 7.983 -6.600 7.822 1.00 61.33 N ATOM 1470 CA GLU A 90 6.982 -6.508 8.878 1.00 42.40 C ATOM 1471 C GLU A 90 5.605 -6.200 8.297 1.00 30.41 C ATOM 1472 O GLU A 90 4.621 -6.864 8.623 1.00 1.34 O ATOM 1473 CB GLU A 90 7.374 -5.428 9.889 1.00 52.31 C ATOM 1474 CG GLU A 90 8.449 -5.871 10.867 1.00 51.21 C ATOM 1475 CD GLU A 90 9.043 -4.713 11.645 1.00 14.32 C ATOM 1476 OE1 GLU A 90 8.290 -4.054 12.393 1.00 2.14 O ATOM 1477 OE2 GLU A 90 10.259 -4.465 11.506 1.00 15.12 O ATOM 0 H GLU A 90 8.811 -6.024 7.974 1.00 61.33 H new ATOM 0 HA GLU A 90 6.936 -7.472 9.385 1.00 42.40 H new ATOM 0 HB2 GLU A 90 7.725 -4.548 9.350 1.00 52.31 H new ATOM 0 HB3 GLU A 90 6.488 -5.127 10.448 1.00 52.31 H new ATOM 0 HG2 GLU A 90 8.025 -6.593 11.565 1.00 51.21 H new ATOM 0 HG3 GLU A 90 9.242 -6.383 10.322 1.00 51.21 H new ATOM 1484 N GLN A 91 5.545 -5.190 7.435 1.00 34.33 N ATOM 1485 CA GLN A 91 4.288 -4.794 6.810 1.00 23.30 C ATOM 1486 C GLN A 91 3.682 -5.953 6.025 1.00 42.23 C ATOM 1487 O GLN A 91 2.471 -6.172 6.058 1.00 3.34 O ATOM 1488 CB GLN A 91 4.510 -3.596 5.885 1.00 31.32 C ATOM 1489 CG GLN A 91 5.259 -2.449 6.544 1.00 32.22 C ATOM 1490 CD GLN A 91 4.730 -2.125 7.928 1.00 71.35 C ATOM 1491 OE1 GLN A 91 3.523 -1.978 8.125 1.00 64.13 O ATOM 1492 NE2 GLN A 91 5.632 -2.013 8.895 1.00 2.42 N ATOM 0 H GLN A 91 6.351 -4.632 7.154 1.00 34.33 H new ATOM 0 HA GLN A 91 3.592 -4.511 7.599 1.00 23.30 H new ATOM 0 HB2 GLN A 91 5.065 -3.924 5.006 1.00 31.32 H new ATOM 0 HB3 GLN A 91 3.543 -3.234 5.535 1.00 31.32 H new ATOM 0 HG2 GLN A 91 6.317 -2.703 6.614 1.00 32.22 H new ATOM 0 HG3 GLN A 91 5.185 -1.562 5.914 1.00 32.22 H new ATOM 0 HE21 GLN A 91 6.622 -2.143 8.687 1.00 2.42 H new ATOM 0 HE22 GLN A 91 5.335 -1.797 9.847 1.00 2.42 H new ATOM 1501 N TRP A 92 4.531 -6.690 5.319 1.00 64.52 N ATOM 1502 CA TRP A 92 4.079 -7.827 4.524 1.00 12.23 C ATOM 1503 C TRP A 92 3.506 -8.922 5.417 1.00 3.13 C ATOM 1504 O TRP A 92 2.474 -9.515 5.105 1.00 33.31 O ATOM 1505 CB TRP A 92 5.233 -8.384 3.689 1.00 1.35 C ATOM 1506 CG TRP A 92 4.841 -9.556 2.841 1.00 2.41 C ATOM 1507 CD1 TRP A 92 3.865 -9.586 1.887 1.00 71.43 C ATOM 1508 CD2 TRP A 92 5.416 -10.867 2.873 1.00 51.54 C ATOM 1509 NE1 TRP A 92 3.798 -10.838 1.323 1.00 41.42 N ATOM 1510 CE2 TRP A 92 4.740 -11.641 1.910 1.00 53.04 C ATOM 1511 CE3 TRP A 92 6.437 -11.461 3.619 1.00 41.04 C ATOM 1512 CZ2 TRP A 92 5.052 -12.978 1.677 1.00 44.44 C ATOM 1513 CZ3 TRP A 92 6.746 -12.788 3.386 1.00 10.33 C ATOM 1514 CH2 TRP A 92 6.056 -13.534 2.422 1.00 63.05 C ATOM 0 H TRP A 92 5.536 -6.521 5.280 1.00 64.52 H new ATOM 0 HA TRP A 92 3.291 -7.480 3.855 1.00 12.23 H new ATOM 0 HB2 TRP A 92 5.622 -7.594 3.047 1.00 1.35 H new ATOM 0 HB3 TRP A 92 6.043 -8.681 4.355 1.00 1.35 H new ATOM 0 HD1 TRP A 92 3.238 -8.750 1.615 1.00 71.43 H new ATOM 0 HE1 TRP A 92 3.152 -11.123 0.587 1.00 41.42 H new ATOM 0 HE3 TRP A 92 6.975 -10.894 4.364 1.00 41.04 H new ATOM 0 HZ2 TRP A 92 4.521 -13.555 0.935 1.00 44.44 H new ATOM 0 HZ3 TRP A 92 7.533 -13.258 3.957 1.00 10.33 H new ATOM 0 HH2 TRP A 92 6.322 -14.569 2.264 1.00 63.05 H new ATOM 1525 N LYS A 93 4.183 -9.186 6.530 1.00 14.31 N ATOM 1526 CA LYS A 93 3.741 -10.209 7.470 1.00 13.13 C ATOM 1527 C LYS A 93 2.371 -9.864 8.046 1.00 40.21 C ATOM 1528 O LYS A 93 1.459 -10.691 8.041 1.00 11.41 O ATOM 1529 CB LYS A 93 4.758 -10.363 8.603 1.00 32.13 C ATOM 1530 CG LYS A 93 6.163 -10.679 8.121 1.00 51.24 C ATOM 1531 CD LYS A 93 6.396 -12.177 8.023 1.00 75.21 C ATOM 1532 CE LYS A 93 6.187 -12.682 6.603 1.00 24.13 C ATOM 1533 NZ LYS A 93 5.660 -14.075 6.582 1.00 44.34 N ATOM 0 H LYS A 93 5.040 -8.705 6.803 1.00 14.31 H new ATOM 0 HA LYS A 93 3.661 -11.153 6.930 1.00 13.13 H new ATOM 0 HB2 LYS A 93 4.782 -9.442 9.186 1.00 32.13 H new ATOM 0 HB3 LYS A 93 4.426 -11.156 9.273 1.00 32.13 H new ATOM 0 HG2 LYS A 93 6.326 -10.220 7.146 1.00 51.24 H new ATOM 0 HG3 LYS A 93 6.890 -10.241 8.805 1.00 51.24 H new ATOM 0 HD2 LYS A 93 7.410 -12.411 8.348 1.00 75.21 H new ATOM 0 HD3 LYS A 93 5.717 -12.697 8.699 1.00 75.21 H new ATOM 0 HE2 LYS A 93 5.493 -12.023 6.082 1.00 24.13 H new ATOM 0 HE3 LYS A 93 7.132 -12.643 6.061 1.00 24.13 H new ATOM 0 HZ1 LYS A 93 5.248 -14.276 5.648 1.00 44.34 H new ATOM 0 HZ2 LYS A 93 6.435 -14.742 6.770 1.00 44.34 H new ATOM 0 HZ3 LYS A 93 4.928 -14.180 7.313 1.00 44.34 H new ATOM 1547 N ASP A 94 2.234 -8.638 8.540 1.00 73.24 N ATOM 1548 CA ASP A 94 0.974 -8.183 9.117 1.00 41.15 C ATOM 1549 C ASP A 94 -0.141 -8.209 8.076 1.00 40.42 C ATOM 1550 O ASP A 94 -1.268 -8.605 8.371 1.00 52.34 O ATOM 1551 CB ASP A 94 1.129 -6.770 9.682 1.00 75.21 C ATOM 1552 CG ASP A 94 1.705 -6.768 11.084 1.00 43.41 C ATOM 1553 OD1 ASP A 94 2.565 -7.626 11.374 1.00 43.23 O ATOM 1554 OD2 ASP A 94 1.297 -5.907 11.891 1.00 3.22 O ATOM 0 H ASP A 94 2.979 -7.942 8.552 1.00 73.24 H new ATOM 0 HA ASP A 94 0.706 -8.862 9.926 1.00 41.15 H new ATOM 0 HB2 ASP A 94 1.776 -6.188 9.026 1.00 75.21 H new ATOM 0 HB3 ASP A 94 0.157 -6.277 9.691 1.00 75.21 H new ATOM 1559 N GLN A 95 0.182 -7.783 6.859 1.00 43.30 N ATOM 1560 CA GLN A 95 -0.793 -7.755 5.775 1.00 31.55 C ATOM 1561 C GLN A 95 -1.335 -9.153 5.496 1.00 73.31 C ATOM 1562 O GLN A 95 -2.548 -9.362 5.443 1.00 41.13 O ATOM 1563 CB GLN A 95 -0.162 -7.177 4.508 1.00 74.24 C ATOM 1564 CG GLN A 95 0.040 -5.671 4.561 1.00 74.41 C ATOM 1565 CD GLN A 95 1.224 -5.212 3.734 1.00 4.12 C ATOM 1566 OE1 GLN A 95 1.757 -5.966 2.919 1.00 1.33 O ATOM 1567 NE2 GLN A 95 1.644 -3.969 3.940 1.00 53.10 N ATOM 0 H GLN A 95 1.111 -7.453 6.599 1.00 43.30 H new ATOM 0 HA GLN A 95 -1.622 -7.118 6.082 1.00 31.55 H new ATOM 0 HB2 GLN A 95 0.801 -7.659 4.340 1.00 74.24 H new ATOM 0 HB3 GLN A 95 -0.794 -7.421 3.654 1.00 74.24 H new ATOM 0 HG2 GLN A 95 -0.862 -5.174 4.204 1.00 74.41 H new ATOM 0 HG3 GLN A 95 0.184 -5.364 5.597 1.00 74.41 H new ATOM 0 HE21 GLN A 95 1.173 -3.378 4.625 1.00 53.10 H new ATOM 0 HE22 GLN A 95 2.438 -3.605 3.413 1.00 53.10 H new ATOM 1576 N THR A 96 -0.429 -10.110 5.317 1.00 11.51 N ATOM 1577 CA THR A 96 -0.816 -11.487 5.041 1.00 31.34 C ATOM 1578 C THR A 96 -1.570 -12.093 6.220 1.00 63.12 C ATOM 1579 O THR A 96 -2.607 -12.732 6.043 1.00 61.30 O ATOM 1580 CB THR A 96 0.411 -12.363 4.727 1.00 63.24 C ATOM 1581 OG1 THR A 96 1.537 -11.923 5.495 1.00 70.44 O ATOM 1582 CG2 THR A 96 0.749 -12.308 3.244 1.00 25.24 C ATOM 0 H THR A 96 0.578 -9.956 5.358 1.00 11.51 H new ATOM 0 HA THR A 96 -1.469 -11.463 4.169 1.00 31.34 H new ATOM 0 HB THR A 96 0.172 -13.393 4.992 1.00 63.24 H new ATOM 0 HG1 THR A 96 1.977 -11.179 5.034 1.00 70.44 H new ATOM 0 HG21 THR A 96 1.619 -12.934 3.046 1.00 25.24 H new ATOM 0 HG22 THR A 96 -0.099 -12.671 2.664 1.00 25.24 H new ATOM 0 HG23 THR A 96 0.970 -11.279 2.959 1.00 25.24 H new ATOM 1941 N PHE B -7 9.988 -14.138 9.529 1.00 11.10 N ATOM 1942 CA PHE B -7 11.273 -14.101 8.840 1.00 13.43 C ATOM 1943 C PHE B -7 12.316 -13.365 9.676 1.00 64.11 C ATOM 1944 O PHE B -7 13.202 -13.984 10.267 1.00 41.22 O ATOM 1945 CB PHE B -7 11.125 -13.423 7.477 1.00 51.15 C ATOM 1946 CG PHE B -7 10.502 -14.306 6.433 1.00 43.51 C ATOM 1947 CD1 PHE B -7 9.125 -14.391 6.311 1.00 33.33 C ATOM 1948 CD2 PHE B -7 11.294 -15.049 5.573 1.00 25.01 C ATOM 1949 CE1 PHE B -7 8.549 -15.203 5.352 1.00 24.43 C ATOM 1950 CE2 PHE B -7 10.725 -15.863 4.612 1.00 52.43 C ATOM 1951 CZ PHE B -7 9.350 -15.939 4.501 1.00 43.03 C ATOM 0 H1 PHE B -7 9.221 -14.206 8.830 1.00 11.10 H new ATOM 0 H2 PHE B -7 9.956 -14.965 10.159 1.00 11.10 H new ATOM 0 H3 PHE B -7 9.870 -13.270 10.090 1.00 11.10 H new ATOM 0 HA PHE B -7 11.609 -15.128 8.693 1.00 13.43 H new ATOM 0 HB2 PHE B -7 10.518 -12.525 7.591 1.00 51.15 H new ATOM 0 HB3 PHE B -7 12.108 -13.102 7.131 1.00 51.15 H new ATOM 0 HD1 PHE B -7 8.494 -13.816 6.973 1.00 33.33 H new ATOM 0 HD2 PHE B -7 12.369 -14.991 5.655 1.00 25.01 H new ATOM 0 HE1 PHE B -7 7.474 -15.262 5.268 1.00 24.43 H new ATOM 0 HE2 PHE B -7 11.354 -16.439 3.949 1.00 52.43 H new ATOM 0 HZ PHE B -7 8.902 -16.573 3.750 1.00 43.03 H new ATOM 1961 N ILE B -6 12.205 -12.042 9.719 1.00 3.22 N ATOM 1962 CA ILE B -6 13.138 -11.222 10.482 1.00 3.11 C ATOM 1963 C ILE B -6 14.583 -11.561 10.130 1.00 12.20 C ATOM 1964 O ILE B -6 15.280 -12.260 10.866 1.00 13.30 O ATOM 1965 CB ILE B -6 12.936 -11.401 11.998 1.00 33.22 C ATOM 1966 CG1 ILE B -6 11.450 -11.308 12.351 1.00 53.22 C ATOM 1967 CG2 ILE B -6 13.734 -10.359 12.766 1.00 4.32 C ATOM 1968 CD1 ILE B -6 10.802 -10.017 11.900 1.00 32.34 C ATOM 0 H ILE B -6 11.478 -11.515 9.235 1.00 3.22 H new ATOM 0 HA ILE B -6 12.935 -10.184 10.217 1.00 3.11 H new ATOM 0 HB ILE B -6 13.297 -12.389 12.283 1.00 33.22 H new ATOM 0 HG12 ILE B -6 10.924 -12.147 11.897 1.00 53.22 H new ATOM 0 HG13 ILE B -6 11.334 -11.406 13.430 1.00 53.22 H new ATOM 0 HG21 ILE B -6 13.580 -10.499 13.836 1.00 4.32 H new ATOM 0 HG22 ILE B -6 14.793 -10.468 12.534 1.00 4.32 H new ATOM 0 HG23 ILE B -6 13.401 -9.362 12.479 1.00 4.32 H new ATOM 0 HD11 ILE B -6 9.749 -10.020 12.183 1.00 32.34 H new ATOM 0 HD12 ILE B -6 11.303 -9.173 12.374 1.00 32.34 H new ATOM 0 HD13 ILE B -6 10.886 -9.927 10.817 1.00 32.34 H new ATOM 1980 N PRO B -5 15.046 -11.053 8.978 1.00 32.11 N ATOM 1981 CA PRO B -5 16.413 -11.287 8.503 1.00 53.42 C ATOM 1982 C PRO B -5 17.453 -10.565 9.353 1.00 41.04 C ATOM 1983 O PRO B -5 17.797 -9.414 9.085 1.00 42.13 O ATOM 1984 CB PRO B -5 16.396 -10.719 7.081 1.00 10.45 C ATOM 1985 CG PRO B -5 15.311 -9.698 7.094 1.00 33.11 C ATOM 1986 CD PRO B -5 14.271 -10.212 8.051 1.00 14.41 C ATOM 0 HA PRO B -5 16.688 -12.341 8.553 1.00 53.42 H new ATOM 0 HB2 PRO B -5 17.356 -10.273 6.821 1.00 10.45 H new ATOM 0 HB3 PRO B -5 16.197 -11.499 6.346 1.00 10.45 H new ATOM 0 HG2 PRO B -5 15.691 -8.728 7.415 1.00 33.11 H new ATOM 0 HG3 PRO B -5 14.891 -9.562 6.097 1.00 33.11 H new ATOM 0 HD2 PRO B -5 13.768 -9.398 8.572 1.00 14.41 H new ATOM 0 HD3 PRO B -5 13.500 -10.786 7.537 1.00 14.41 H new ATOM 1994 N SER B -4 17.951 -11.249 10.378 1.00 72.02 N ATOM 1995 CA SER B -4 18.950 -10.671 11.269 1.00 30.52 C ATOM 1996 C SER B -4 20.340 -11.212 10.950 1.00 64.15 C ATOM 1997 O SER B -4 21.166 -11.398 11.843 1.00 24.52 O ATOM 1998 CB SER B -4 18.597 -10.970 12.727 1.00 30.44 C ATOM 1999 OG SER B -4 19.425 -10.237 13.613 1.00 23.32 O ATOM 0 H SER B -4 17.679 -12.204 10.612 1.00 72.02 H new ATOM 0 HA SER B -4 18.955 -9.592 11.117 1.00 30.52 H new ATOM 0 HB2 SER B -4 17.552 -10.720 12.910 1.00 30.44 H new ATOM 0 HB3 SER B -4 18.708 -12.037 12.920 1.00 30.44 H new ATOM 0 HG SER B -4 20.362 -10.336 13.343 1.00 23.32 H new ATOM 2005 N ARG B -3 20.591 -11.462 9.669 1.00 41.05 N ATOM 2006 CA ARG B -3 21.880 -11.982 9.230 1.00 64.42 C ATOM 2007 C ARG B -3 22.798 -10.851 8.776 1.00 55.42 C ATOM 2008 O ARG B -3 22.353 -9.747 8.461 1.00 52.42 O ATOM 2009 CB ARG B -3 21.688 -12.986 8.091 1.00 45.41 C ATOM 2010 CG ARG B -3 20.295 -13.591 8.041 1.00 41.23 C ATOM 2011 CD ARG B -3 20.292 -14.923 7.307 1.00 4.12 C ATOM 2012 NE ARG B -3 20.992 -15.962 8.058 1.00 63.35 N ATOM 2013 CZ ARG B -3 20.488 -16.559 9.132 1.00 73.34 C ATOM 2014 NH1 ARG B -3 19.286 -16.222 9.579 1.00 50.14 N ATOM 2015 NH2 ARG B -3 21.186 -17.496 9.761 1.00 74.45 N ATOM 0 H ARG B -3 19.918 -11.313 8.917 1.00 41.05 H new ATOM 0 HA ARG B -3 22.346 -12.487 10.076 1.00 64.42 H new ATOM 0 HB2 ARG B -3 21.894 -12.490 7.142 1.00 45.41 H new ATOM 0 HB3 ARG B -3 22.419 -13.787 8.197 1.00 45.41 H new ATOM 0 HG2 ARG B -3 19.922 -13.732 9.055 1.00 41.23 H new ATOM 0 HG3 ARG B -3 19.614 -12.899 7.545 1.00 41.23 H new ATOM 0 HD2 ARG B -3 19.263 -15.236 7.127 1.00 4.12 H new ATOM 0 HD3 ARG B -3 20.763 -14.801 6.332 1.00 4.12 H new ATOM 0 HE ARG B -3 21.919 -16.245 7.740 1.00 63.35 H new ATOM 0 HH11 ARG B -3 18.746 -15.503 9.098 1.00 50.14 H new ATOM 0 HH12 ARG B -3 18.901 -16.682 10.404 1.00 50.14 H new ATOM 0 HH21 ARG B -3 22.111 -17.758 9.420 1.00 74.45 H new ATOM 0 HH22 ARG B -3 20.798 -17.954 10.586 1.00 74.45 H new ATOM 2029 N PRO B -2 24.109 -11.129 8.741 1.00 21.23 N ATOM 2030 CA PRO B -2 25.116 -10.148 8.327 1.00 3.35 C ATOM 2031 C PRO B -2 25.044 -9.836 6.837 1.00 55.24 C ATOM 2032 O PRO B -2 25.504 -10.618 6.006 1.00 22.41 O ATOM 2033 CB PRO B -2 26.441 -10.835 8.666 1.00 5.10 C ATOM 2034 CG PRO B -2 26.132 -12.292 8.633 1.00 50.24 C ATOM 2035 CD PRO B -2 24.710 -12.424 9.103 1.00 11.02 C ATOM 0 HA PRO B -2 24.978 -9.188 8.825 1.00 3.35 H new ATOM 0 HB2 PRO B -2 27.216 -10.578 7.944 1.00 5.10 H new ATOM 0 HB3 PRO B -2 26.806 -10.530 9.647 1.00 5.10 H new ATOM 0 HG2 PRO B -2 26.249 -12.693 7.626 1.00 50.24 H new ATOM 0 HG3 PRO B -2 26.810 -12.850 9.279 1.00 50.24 H new ATOM 0 HD2 PRO B -2 24.201 -13.254 8.614 1.00 11.02 H new ATOM 0 HD3 PRO B -2 24.657 -12.606 10.176 1.00 11.02 H new ATOM 2043 N ALA B -1 24.462 -8.688 6.505 1.00 45.44 N ATOM 2044 CA ALA B -1 24.332 -8.272 5.114 1.00 40.33 C ATOM 2045 C ALA B -1 25.671 -8.351 4.389 1.00 64.30 C ATOM 2046 O ALA B -1 26.583 -7.560 4.630 1.00 0.31 O ATOM 2047 CB ALA B -1 23.771 -6.860 5.036 1.00 54.34 C ATOM 0 H ALA B -1 24.073 -8.030 7.180 1.00 45.44 H new ATOM 0 HA ALA B -1 23.640 -8.955 4.620 1.00 40.33 H new ATOM 0 HB1 ALA B -1 23.679 -6.562 3.992 1.00 54.34 H new ATOM 0 HB2 ALA B -1 22.789 -6.832 5.509 1.00 54.34 H new ATOM 0 HB3 ALA B -1 24.442 -6.173 5.552 1.00 54.34 H new ATOM 2053 N PRO B 0 25.796 -9.329 3.480 1.00 71.43 N ATOM 2054 CA PRO B 0 27.021 -9.536 2.701 1.00 11.55 C ATOM 2055 C PRO B 0 27.254 -8.425 1.683 1.00 64.11 C ATOM 2056 O PRO B 0 26.308 -7.813 1.188 1.00 14.11 O ATOM 2057 CB PRO B 0 26.770 -10.868 1.992 1.00 61.34 C ATOM 2058 CG PRO B 0 25.287 -10.979 1.906 1.00 11.22 C ATOM 2059 CD PRO B 0 24.750 -10.309 3.141 1.00 61.11 C ATOM 0 HA PRO B 0 27.910 -9.535 3.331 1.00 11.55 H new ATOM 0 HB2 PRO B 0 27.226 -10.881 1.002 1.00 61.34 H new ATOM 0 HB3 PRO B 0 27.197 -11.700 2.551 1.00 61.34 H new ATOM 0 HG2 PRO B 0 24.911 -10.495 1.005 1.00 11.22 H new ATOM 0 HG3 PRO B 0 24.976 -12.023 1.861 1.00 11.22 H new ATOM 0 HD2 PRO B 0 23.792 -9.825 2.951 1.00 61.11 H new ATOM 0 HD3 PRO B 0 24.592 -11.023 3.949 1.00 61.11 H new ATOM 2067 N LYS B 1 28.521 -8.170 1.373 1.00 51.32 N ATOM 2068 CA LYS B 1 28.880 -7.134 0.411 1.00 12.14 C ATOM 2069 C LYS B 1 29.140 -7.736 -0.966 1.00 21.34 C ATOM 2070 O LYS B 1 29.386 -8.934 -1.109 1.00 44.03 O ATOM 2071 CB LYS B 1 30.119 -6.373 0.889 1.00 15.22 C ATOM 2072 CG LYS B 1 29.794 -5.149 1.728 1.00 24.15 C ATOM 2073 CD LYS B 1 29.265 -5.537 3.099 1.00 73.12 C ATOM 2074 CE LYS B 1 29.232 -4.344 4.042 1.00 24.41 C ATOM 2075 NZ LYS B 1 30.602 -3.912 4.436 1.00 12.14 N ATOM 0 H LYS B 1 29.317 -8.667 1.774 1.00 51.32 H new ATOM 0 HA LYS B 1 28.043 -6.441 0.332 1.00 12.14 H new ATOM 0 HB2 LYS B 1 30.747 -7.047 1.472 1.00 15.22 H new ATOM 0 HB3 LYS B 1 30.703 -6.064 0.022 1.00 15.22 H new ATOM 0 HG2 LYS B 1 30.689 -4.537 1.842 1.00 24.15 H new ATOM 0 HG3 LYS B 1 29.054 -4.538 1.211 1.00 24.15 H new ATOM 0 HD2 LYS B 1 28.262 -5.951 2.999 1.00 73.12 H new ATOM 0 HD3 LYS B 1 29.892 -6.321 3.524 1.00 73.12 H new ATOM 0 HE2 LYS B 1 28.714 -3.515 3.561 1.00 24.41 H new ATOM 0 HE3 LYS B 1 28.661 -4.602 4.934 1.00 24.41 H new ATOM 0 HZ1 LYS B 1 30.543 -3.279 5.259 1.00 12.14 H new ATOM 0 HZ2 LYS B 1 31.172 -4.747 4.681 1.00 12.14 H new ATOM 0 HZ3 LYS B 1 31.049 -3.409 3.643 1.00 12.14 H new ATOM 2089 N PRO B 2 29.086 -6.888 -2.003 1.00 62.23 N ATOM 2090 CA PRO B 2 29.316 -7.315 -3.387 1.00 15.40 C ATOM 2091 C PRO B 2 30.771 -7.691 -3.644 1.00 13.00 C ATOM 2092 O PRO B 2 31.659 -7.423 -2.834 1.00 74.03 O ATOM 2093 CB PRO B 2 28.929 -6.081 -4.207 1.00 24.10 C ATOM 2094 CG PRO B 2 29.128 -4.932 -3.279 1.00 72.34 C ATOM 2095 CD PRO B 2 28.798 -5.447 -1.906 1.00 32.42 C ATOM 0 HA PRO B 2 28.744 -8.208 -3.639 1.00 15.40 H new ATOM 0 HB2 PRO B 2 29.553 -5.985 -5.096 1.00 24.10 H new ATOM 0 HB3 PRO B 2 27.895 -6.140 -4.548 1.00 24.10 H new ATOM 0 HG2 PRO B 2 30.155 -4.568 -3.323 1.00 72.34 H new ATOM 0 HG3 PRO B 2 28.482 -4.096 -3.548 1.00 72.34 H new ATOM 0 HD2 PRO B 2 29.406 -4.966 -1.140 1.00 32.42 H new ATOM 0 HD3 PRO B 2 27.755 -5.262 -1.648 1.00 32.42 H new ATOM 2103 N PRO B 3 31.023 -8.327 -4.798 1.00 5.34 N ATOM 2104 CA PRO B 3 32.371 -8.752 -5.188 1.00 73.52 C ATOM 2105 C PRO B 3 33.276 -7.573 -5.526 1.00 62.03 C ATOM 2106 O PRO B 3 32.808 -6.529 -5.980 1.00 70.03 O ATOM 2107 CB PRO B 3 32.125 -9.611 -6.431 1.00 70.51 C ATOM 2108 CG PRO B 3 30.839 -9.109 -6.991 1.00 1.32 C ATOM 2109 CD PRO B 3 30.014 -8.678 -5.810 1.00 34.51 C ATOM 0 HA PRO B 3 32.882 -9.279 -4.382 1.00 73.52 H new ATOM 0 HB2 PRO B 3 32.937 -9.508 -7.151 1.00 70.51 H new ATOM 0 HB3 PRO B 3 32.059 -10.668 -6.175 1.00 70.51 H new ATOM 0 HG2 PRO B 3 31.009 -8.276 -7.673 1.00 1.32 H new ATOM 0 HG3 PRO B 3 30.330 -9.888 -7.559 1.00 1.32 H new ATOM 0 HD2 PRO B 3 29.377 -7.828 -6.054 1.00 34.51 H new ATOM 0 HD3 PRO B 3 29.359 -9.478 -5.464 1.00 34.51 H new