USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -170:sc= -0.678 (180deg=-0.85) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -170:sc= -0.396 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 6:sc= 0.665 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.701 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.9 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.93! C(o=-3.9!,f=-6.1!) USER MOD Single : A 64 HIS : no HD1:sc= -4.52! C(o=-4.5!,f=-5.2!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 6:sc= 0.643 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0435) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 3.794 0.857 -0.693 1.00 35.40 N ATOM 2 CA HIS A 1 3.211 0.065 -1.770 1.00 73.34 C ATOM 3 C HIS A 1 3.748 -1.363 -1.747 1.00 32.22 C ATOM 4 O HIS A 1 4.607 -1.727 -2.550 1.00 12.53 O ATOM 5 CB HIS A 1 3.506 0.711 -3.124 1.00 63.12 C ATOM 6 CG HIS A 1 2.699 1.944 -3.388 1.00 52.41 C ATOM 7 ND1 HIS A 1 3.132 3.212 -3.060 1.00 34.21 N ATOM 8 CD2 HIS A 1 1.479 2.100 -3.954 1.00 61.21 C ATOM 9 CE1 HIS A 1 2.212 4.093 -3.411 1.00 4.21 C ATOM 10 NE2 HIS A 1 1.200 3.444 -3.956 1.00 54.24 N ATOM 0 H1 HIS A 1 3.414 1.824 -0.729 1.00 35.40 H new ATOM 0 H2 HIS A 1 3.557 0.425 0.223 1.00 35.40 H new ATOM 0 H3 HIS A 1 4.828 0.887 -0.804 1.00 35.40 H new ATOM 0 HA HIS A 1 2.132 0.031 -1.619 1.00 73.34 H new ATOM 0 HB2 HIS A 1 4.565 0.963 -3.174 1.00 63.12 H new ATOM 0 HB3 HIS A 1 3.313 -0.015 -3.914 1.00 63.12 H new ATOM 0 HD2 HIS A 1 0.844 1.313 -4.333 1.00 61.21 H new ATOM 0 HE1 HIS A 1 2.277 5.162 -3.275 1.00 4.21 H new ATOM 0 HE2 HIS A 1 0.349 3.872 -4.320 1.00 54.24 H new ATOM 18 N MET A 2 3.236 -2.167 -0.821 1.00 23.53 N ATOM 19 CA MET A 2 3.665 -3.556 -0.693 1.00 52.45 C ATOM 20 C MET A 2 2.681 -4.494 -1.386 1.00 2.25 C ATOM 21 O MET A 2 1.467 -4.344 -1.251 1.00 32.32 O ATOM 22 CB MET A 2 3.799 -3.937 0.782 1.00 65.00 C ATOM 23 CG MET A 2 5.186 -3.685 1.351 1.00 44.22 C ATOM 24 SD MET A 2 5.220 -3.745 3.153 1.00 54.25 S ATOM 25 CE MET A 2 4.767 -5.453 3.443 1.00 73.21 C ATOM 0 H MET A 2 2.524 -1.881 -0.149 1.00 23.53 H new ATOM 0 HA MET A 2 4.637 -3.656 -1.176 1.00 52.45 H new ATOM 0 HB2 MET A 2 3.069 -3.373 1.362 1.00 65.00 H new ATOM 0 HB3 MET A 2 3.553 -4.992 0.900 1.00 65.00 H new ATOM 0 HG2 MET A 2 5.878 -4.428 0.954 1.00 44.22 H new ATOM 0 HG3 MET A 2 5.540 -2.709 1.017 1.00 44.22 H new ATOM 0 HE1 MET A 2 4.571 -5.602 4.505 1.00 73.21 H new ATOM 0 HE2 MET A 2 3.871 -5.694 2.871 1.00 73.21 H new ATOM 0 HE3 MET A 2 5.583 -6.104 3.129 1.00 73.21 H new ATOM 35 N SER A 3 3.214 -5.460 -2.126 1.00 75.45 N ATOM 36 CA SER A 3 2.382 -6.420 -2.843 1.00 31.40 C ATOM 37 C SER A 3 2.808 -7.851 -2.527 1.00 0.22 C ATOM 38 O SER A 3 3.940 -8.095 -2.107 1.00 33.55 O ATOM 39 CB SER A 3 2.464 -6.173 -4.350 1.00 60.05 C ATOM 40 OG SER A 3 3.806 -5.985 -4.764 1.00 63.41 O ATOM 0 H SER A 3 4.217 -5.599 -2.245 1.00 75.45 H new ATOM 0 HA SER A 3 1.351 -6.285 -2.516 1.00 31.40 H new ATOM 0 HB2 SER A 3 2.030 -7.018 -4.884 1.00 60.05 H new ATOM 0 HB3 SER A 3 1.873 -5.295 -4.610 1.00 60.05 H new ATOM 0 HG SER A 3 3.831 -5.831 -5.731 1.00 63.41 H new ATOM 46 N LEU A 4 1.894 -8.793 -2.732 1.00 11.52 N ATOM 47 CA LEU A 4 2.173 -10.200 -2.469 1.00 62.12 C ATOM 48 C LEU A 4 1.569 -11.087 -3.553 1.00 54.32 C ATOM 49 O LEU A 4 0.525 -10.766 -4.123 1.00 34.45 O ATOM 50 CB LEU A 4 1.623 -10.603 -1.100 1.00 4.43 C ATOM 51 CG LEU A 4 1.674 -9.527 -0.014 1.00 31.33 C ATOM 52 CD1 LEU A 4 0.363 -8.759 0.038 1.00 54.10 C ATOM 53 CD2 LEU A 4 1.983 -10.150 1.340 1.00 72.42 C ATOM 0 H LEU A 4 0.953 -8.608 -3.080 1.00 11.52 H new ATOM 0 HA LEU A 4 3.254 -10.337 -2.474 1.00 62.12 H new ATOM 0 HB2 LEU A 4 0.587 -10.916 -1.225 1.00 4.43 H new ATOM 0 HB3 LEU A 4 2.179 -11.472 -0.749 1.00 4.43 H new ATOM 0 HG LEU A 4 2.472 -8.827 -0.260 1.00 31.33 H new ATOM 0 HD11 LEU A 4 0.418 -7.998 0.816 1.00 54.10 H new ATOM 0 HD12 LEU A 4 0.183 -8.281 -0.925 1.00 54.10 H new ATOM 0 HD13 LEU A 4 -0.453 -9.447 0.260 1.00 54.10 H new ATOM 0 HD21 LEU A 4 2.015 -9.370 2.101 1.00 72.42 H new ATOM 0 HD22 LEU A 4 1.207 -10.872 1.594 1.00 72.42 H new ATOM 0 HD23 LEU A 4 2.948 -10.655 1.297 1.00 72.42 H new ATOM 65 N THR A 5 2.230 -12.205 -3.833 1.00 64.22 N ATOM 66 CA THR A 5 1.758 -13.139 -4.848 1.00 23.14 C ATOM 67 C THR A 5 0.751 -14.123 -4.263 1.00 42.12 C ATOM 68 O THR A 5 0.972 -14.692 -3.194 1.00 4.41 O ATOM 69 CB THR A 5 2.925 -13.927 -5.473 1.00 2.14 C ATOM 70 OG1 THR A 5 4.019 -13.996 -4.551 1.00 50.30 O ATOM 71 CG2 THR A 5 3.386 -13.275 -6.767 1.00 44.32 C ATOM 0 H THR A 5 3.095 -12.486 -3.371 1.00 64.22 H new ATOM 0 HA THR A 5 1.274 -12.545 -5.623 1.00 23.14 H new ATOM 0 HB THR A 5 2.575 -14.935 -5.697 1.00 2.14 H new ATOM 0 HG1 THR A 5 4.808 -14.356 -5.006 1.00 50.30 H new ATOM 0 HG21 THR A 5 4.211 -13.849 -7.190 1.00 44.32 H new ATOM 0 HG22 THR A 5 2.559 -13.251 -7.477 1.00 44.32 H new ATOM 0 HG23 THR A 5 3.719 -12.257 -6.563 1.00 44.32 H new ATOM 79 N VAL A 6 -0.356 -14.320 -4.972 1.00 31.24 N ATOM 80 CA VAL A 6 -1.397 -15.237 -4.524 1.00 31.44 C ATOM 81 C VAL A 6 -1.432 -16.493 -5.388 1.00 13.04 C ATOM 82 O VAL A 6 -1.821 -16.446 -6.555 1.00 31.41 O ATOM 83 CB VAL A 6 -2.784 -14.569 -4.552 1.00 14.01 C ATOM 84 CG1 VAL A 6 -3.828 -15.478 -3.921 1.00 53.02 C ATOM 85 CG2 VAL A 6 -2.741 -13.223 -3.845 1.00 51.41 C ATOM 0 H VAL A 6 -0.555 -13.857 -5.859 1.00 31.24 H new ATOM 0 HA VAL A 6 -1.156 -15.512 -3.497 1.00 31.44 H new ATOM 0 HB VAL A 6 -3.065 -14.400 -5.591 1.00 14.01 H new ATOM 0 HG11 VAL A 6 -4.802 -14.989 -3.950 1.00 53.02 H new ATOM 0 HG12 VAL A 6 -3.876 -16.416 -4.475 1.00 53.02 H new ATOM 0 HG13 VAL A 6 -3.555 -15.682 -2.886 1.00 53.02 H new ATOM 0 HG21 VAL A 6 -3.730 -12.765 -3.874 1.00 51.41 H new ATOM 0 HG22 VAL A 6 -2.438 -13.366 -2.808 1.00 51.41 H new ATOM 0 HG23 VAL A 6 -2.024 -12.572 -4.346 1.00 51.41 H new ATOM 95 N LYS A 7 -1.024 -17.616 -4.807 1.00 10.04 N ATOM 96 CA LYS A 7 -1.010 -18.887 -5.522 1.00 1.44 C ATOM 97 C LYS A 7 -2.329 -19.629 -5.337 1.00 73.50 C ATOM 98 O LYS A 7 -2.746 -19.903 -4.212 1.00 52.00 O ATOM 99 CB LYS A 7 0.150 -19.757 -5.034 1.00 23.14 C ATOM 100 CG LYS A 7 1.519 -19.183 -5.356 1.00 40.10 C ATOM 101 CD LYS A 7 1.973 -19.575 -6.752 1.00 42.41 C ATOM 102 CE LYS A 7 2.272 -21.063 -6.844 1.00 21.11 C ATOM 103 NZ LYS A 7 3.289 -21.361 -7.890 1.00 25.13 N ATOM 0 H LYS A 7 -0.698 -17.672 -3.842 1.00 10.04 H new ATOM 0 HA LYS A 7 -0.877 -18.677 -6.583 1.00 1.44 H new ATOM 0 HB2 LYS A 7 0.065 -19.889 -3.955 1.00 23.14 H new ATOM 0 HB3 LYS A 7 0.065 -20.746 -5.484 1.00 23.14 H new ATOM 0 HG2 LYS A 7 1.488 -18.097 -5.274 1.00 40.10 H new ATOM 0 HG3 LYS A 7 2.245 -19.537 -4.624 1.00 40.10 H new ATOM 0 HD2 LYS A 7 1.200 -19.313 -7.474 1.00 42.41 H new ATOM 0 HD3 LYS A 7 2.864 -19.007 -7.019 1.00 42.41 H new ATOM 0 HE2 LYS A 7 2.628 -21.422 -5.878 1.00 21.11 H new ATOM 0 HE3 LYS A 7 1.353 -21.605 -7.066 1.00 21.11 H new ATOM 0 HZ1 LYS A 7 3.465 -22.386 -7.921 1.00 25.13 H new ATOM 0 HZ2 LYS A 7 2.939 -21.041 -8.816 1.00 25.13 H new ATOM 0 HZ3 LYS A 7 4.175 -20.864 -7.665 1.00 25.13 H new ATOM 117 N ALA A 8 -2.981 -19.954 -6.449 1.00 21.31 N ATOM 118 CA ALA A 8 -4.251 -20.669 -6.409 1.00 42.41 C ATOM 119 C ALA A 8 -4.117 -22.060 -7.019 1.00 54.22 C ATOM 120 O ALA A 8 -3.738 -22.205 -8.182 1.00 13.24 O ATOM 121 CB ALA A 8 -5.327 -19.873 -7.134 1.00 24.32 C ATOM 0 H ALA A 8 -2.651 -19.733 -7.388 1.00 21.31 H new ATOM 0 HA ALA A 8 -4.542 -20.786 -5.365 1.00 42.41 H new ATOM 0 HB1 ALA A 8 -6.270 -20.418 -7.097 1.00 24.32 H new ATOM 0 HB2 ALA A 8 -5.449 -18.903 -6.652 1.00 24.32 H new ATOM 0 HB3 ALA A 8 -5.033 -19.727 -8.173 1.00 24.32 H new ATOM 127 N TYR A 9 -4.431 -23.080 -6.228 1.00 45.11 N ATOM 128 CA TYR A 9 -4.342 -24.460 -6.690 1.00 35.12 C ATOM 129 C TYR A 9 -5.722 -25.004 -7.048 1.00 12.03 C ATOM 130 O TYR A 9 -6.577 -25.184 -6.179 1.00 4.33 O ATOM 131 CB TYR A 9 -3.698 -25.339 -5.616 1.00 54.12 C ATOM 132 CG TYR A 9 -2.252 -24.996 -5.341 1.00 22.13 C ATOM 133 CD1 TYR A 9 -1.242 -25.420 -6.195 1.00 63.03 C ATOM 134 CD2 TYR A 9 -1.895 -24.247 -4.226 1.00 32.10 C ATOM 135 CE1 TYR A 9 0.081 -25.110 -5.947 1.00 2.41 C ATOM 136 CE2 TYR A 9 -0.575 -23.931 -3.970 1.00 41.34 C ATOM 137 CZ TYR A 9 0.410 -24.365 -4.833 1.00 54.35 C ATOM 138 OH TYR A 9 1.726 -24.052 -4.583 1.00 62.23 O ATOM 0 H TYR A 9 -4.749 -22.977 -5.264 1.00 45.11 H new ATOM 0 HA TYR A 9 -3.720 -24.478 -7.585 1.00 35.12 H new ATOM 0 HB2 TYR A 9 -4.267 -25.244 -4.691 1.00 54.12 H new ATOM 0 HB3 TYR A 9 -3.763 -26.382 -5.925 1.00 54.12 H new ATOM 0 HD1 TYR A 9 -1.496 -26.002 -7.068 1.00 63.03 H new ATOM 0 HD2 TYR A 9 -2.663 -23.906 -3.548 1.00 32.10 H new ATOM 0 HE1 TYR A 9 0.854 -25.449 -6.621 1.00 2.41 H new ATOM 0 HE2 TYR A 9 -0.315 -23.347 -3.099 1.00 41.34 H new ATOM 0 HH TYR A 9 2.213 -23.984 -5.431 1.00 62.23 H new ATOM 148 N LEU A 10 -5.933 -25.265 -8.333 1.00 43.31 N ATOM 149 CA LEU A 10 -7.208 -25.789 -8.809 1.00 33.25 C ATOM 150 C LEU A 10 -7.264 -27.306 -8.656 1.00 51.15 C ATOM 151 O LEU A 10 -6.290 -28.005 -8.937 1.00 64.13 O ATOM 152 CB LEU A 10 -7.427 -25.404 -10.273 1.00 1.34 C ATOM 153 CG LEU A 10 -8.861 -25.046 -10.666 1.00 23.04 C ATOM 154 CD1 LEU A 10 -9.782 -26.240 -10.469 1.00 23.10 C ATOM 155 CD2 LEU A 10 -9.353 -23.852 -9.860 1.00 25.40 C ATOM 0 H LEU A 10 -5.237 -25.122 -9.065 1.00 43.31 H new ATOM 0 HA LEU A 10 -8.001 -25.351 -8.203 1.00 33.25 H new ATOM 0 HB2 LEU A 10 -6.785 -24.554 -10.504 1.00 1.34 H new ATOM 0 HB3 LEU A 10 -7.096 -26.233 -10.899 1.00 1.34 H new ATOM 0 HG LEU A 10 -8.871 -24.775 -11.722 1.00 23.04 H new ATOM 0 HD11 LEU A 10 -10.798 -25.967 -10.754 1.00 23.10 H new ATOM 0 HD12 LEU A 10 -9.442 -27.068 -11.090 1.00 23.10 H new ATOM 0 HD13 LEU A 10 -9.767 -26.542 -9.422 1.00 23.10 H new ATOM 0 HD21 LEU A 10 -10.375 -23.611 -10.153 1.00 25.40 H new ATOM 0 HD22 LEU A 10 -9.328 -24.095 -8.798 1.00 25.40 H new ATOM 0 HD23 LEU A 10 -8.709 -22.994 -10.051 1.00 25.40 H new ATOM 167 N LEU A 11 -8.411 -27.809 -8.212 1.00 44.14 N ATOM 168 CA LEU A 11 -8.595 -29.244 -8.025 1.00 50.22 C ATOM 169 C LEU A 11 -9.748 -29.761 -8.880 1.00 2.21 C ATOM 170 O LEU A 11 -10.872 -29.271 -8.785 1.00 75.51 O ATOM 171 CB LEU A 11 -8.858 -29.556 -6.551 1.00 33.00 C ATOM 172 CG LEU A 11 -8.080 -28.716 -5.538 1.00 11.03 C ATOM 173 CD1 LEU A 11 -8.347 -29.204 -4.122 1.00 73.03 C ATOM 174 CD2 LEU A 11 -6.590 -28.755 -5.845 1.00 12.22 C ATOM 0 H LEU A 11 -9.227 -27.245 -7.975 1.00 44.14 H new ATOM 0 HA LEU A 11 -7.680 -29.747 -8.339 1.00 50.22 H new ATOM 0 HB2 LEU A 11 -9.923 -29.428 -6.358 1.00 33.00 H new ATOM 0 HB3 LEU A 11 -8.627 -30.607 -6.376 1.00 33.00 H new ATOM 0 HG LEU A 11 -8.420 -27.683 -5.615 1.00 11.03 H new ATOM 0 HD11 LEU A 11 -7.785 -28.594 -3.415 1.00 73.03 H new ATOM 0 HD12 LEU A 11 -9.412 -29.123 -3.904 1.00 73.03 H new ATOM 0 HD13 LEU A 11 -8.036 -30.245 -4.031 1.00 73.03 H new ATOM 0 HD21 LEU A 11 -6.052 -28.152 -5.114 1.00 12.22 H new ATOM 0 HD22 LEU A 11 -6.235 -29.785 -5.797 1.00 12.22 H new ATOM 0 HD23 LEU A 11 -6.414 -28.357 -6.844 1.00 12.22 H new ATOM 186 N GLY A 12 -9.460 -30.756 -9.714 1.00 2.41 N ATOM 187 CA GLY A 12 -10.483 -31.324 -10.572 1.00 21.12 C ATOM 188 C GLY A 12 -11.140 -32.545 -9.960 1.00 30.23 C ATOM 189 O GLY A 12 -11.906 -32.433 -9.002 1.00 72.54 O ATOM 0 H GLY A 12 -8.537 -31.178 -9.810 1.00 2.41 H new ATOM 0 HA2 GLY A 12 -11.243 -30.569 -10.775 1.00 21.12 H new ATOM 0 HA3 GLY A 12 -10.040 -31.595 -11.530 1.00 21.12 H new ATOM 193 N LYS A 13 -10.842 -33.716 -10.513 1.00 40.34 N ATOM 194 CA LYS A 13 -11.409 -34.964 -10.017 1.00 41.02 C ATOM 195 C LYS A 13 -10.422 -35.685 -9.105 1.00 1.14 C ATOM 196 O LYS A 13 -10.797 -36.190 -8.047 1.00 5.01 O ATOM 197 CB LYS A 13 -11.796 -35.872 -11.186 1.00 72.52 C ATOM 198 CG LYS A 13 -12.399 -37.198 -10.753 1.00 11.51 C ATOM 199 CD LYS A 13 -11.331 -38.262 -10.569 1.00 31.55 C ATOM 200 CE LYS A 13 -11.875 -39.653 -10.858 1.00 62.20 C ATOM 201 NZ LYS A 13 -12.644 -40.199 -9.706 1.00 0.03 N ATOM 0 H LYS A 13 -10.210 -33.827 -11.306 1.00 40.34 H new ATOM 0 HA LYS A 13 -12.302 -34.724 -9.440 1.00 41.02 H new ATOM 0 HB2 LYS A 13 -12.510 -35.348 -11.821 1.00 72.52 H new ATOM 0 HB3 LYS A 13 -10.912 -36.066 -11.793 1.00 72.52 H new ATOM 0 HG2 LYS A 13 -12.944 -37.063 -9.819 1.00 11.51 H new ATOM 0 HG3 LYS A 13 -13.121 -37.531 -11.498 1.00 11.51 H new ATOM 0 HD2 LYS A 13 -10.491 -38.054 -11.231 1.00 31.55 H new ATOM 0 HD3 LYS A 13 -10.950 -38.224 -9.549 1.00 31.55 H new ATOM 0 HE2 LYS A 13 -12.517 -39.616 -11.738 1.00 62.20 H new ATOM 0 HE3 LYS A 13 -11.049 -40.324 -11.094 1.00 62.20 H new ATOM 0 HZ1 LYS A 13 -12.998 -41.148 -9.943 1.00 0.03 H new ATOM 0 HZ2 LYS A 13 -12.025 -40.258 -8.872 1.00 0.03 H new ATOM 0 HZ3 LYS A 13 -13.447 -39.573 -9.497 1.00 0.03 H new ATOM 215 N GLU A 14 -9.160 -35.727 -9.521 1.00 31.12 N ATOM 216 CA GLU A 14 -8.120 -36.386 -8.739 1.00 52.02 C ATOM 217 C GLU A 14 -7.848 -35.625 -7.445 1.00 43.30 C ATOM 218 O GLU A 14 -7.195 -36.138 -6.537 1.00 72.40 O ATOM 219 CB GLU A 14 -6.832 -36.501 -9.557 1.00 51.10 C ATOM 220 CG GLU A 14 -7.042 -37.084 -10.944 1.00 40.14 C ATOM 221 CD GLU A 14 -5.747 -37.542 -11.587 1.00 1.41 C ATOM 222 OE1 GLU A 14 -5.193 -38.567 -11.140 1.00 65.42 O ATOM 223 OE2 GLU A 14 -5.288 -36.873 -12.537 1.00 73.41 O ATOM 0 H GLU A 14 -8.833 -35.313 -10.394 1.00 31.12 H new ATOM 0 HA GLU A 14 -8.471 -37.386 -8.485 1.00 52.02 H new ATOM 0 HB2 GLU A 14 -6.382 -35.513 -9.652 1.00 51.10 H new ATOM 0 HB3 GLU A 14 -6.121 -37.124 -9.014 1.00 51.10 H new ATOM 0 HG2 GLU A 14 -7.729 -37.928 -10.879 1.00 40.14 H new ATOM 0 HG3 GLU A 14 -7.515 -36.336 -11.581 1.00 40.14 H new ATOM 230 N GLU A 15 -8.352 -34.397 -7.370 1.00 33.11 N ATOM 231 CA GLU A 15 -8.162 -33.565 -6.188 1.00 0.31 C ATOM 232 C GLU A 15 -6.677 -33.358 -5.901 1.00 74.22 C ATOM 233 O GLU A 15 -6.262 -33.284 -4.745 1.00 52.02 O ATOM 234 CB GLU A 15 -8.843 -34.200 -4.974 1.00 75.12 C ATOM 235 CG GLU A 15 -10.360 -34.122 -5.017 1.00 53.54 C ATOM 236 CD GLU A 15 -11.005 -34.572 -3.721 1.00 1.32 C ATOM 237 OE1 GLU A 15 -10.304 -35.195 -2.896 1.00 12.22 O ATOM 238 OE2 GLU A 15 -12.209 -34.302 -3.531 1.00 51.42 O ATOM 0 H GLU A 15 -8.894 -33.957 -8.113 1.00 33.11 H new ATOM 0 HA GLU A 15 -8.616 -32.593 -6.383 1.00 0.31 H new ATOM 0 HB2 GLU A 15 -8.543 -35.246 -4.906 1.00 75.12 H new ATOM 0 HB3 GLU A 15 -8.488 -33.707 -4.069 1.00 75.12 H new ATOM 0 HG2 GLU A 15 -10.661 -33.097 -5.231 1.00 53.54 H new ATOM 0 HG3 GLU A 15 -10.729 -34.740 -5.836 1.00 53.54 H new ATOM 245 N ALA A 16 -5.883 -33.267 -6.963 1.00 0.13 N ATOM 246 CA ALA A 16 -4.446 -33.068 -6.826 1.00 45.31 C ATOM 247 C ALA A 16 -4.036 -31.679 -7.305 1.00 22.03 C ATOM 248 O ALA A 16 -3.712 -30.806 -6.501 1.00 11.54 O ATOM 249 CB ALA A 16 -3.689 -34.139 -7.598 1.00 4.44 C ATOM 0 H ALA A 16 -6.211 -33.328 -7.927 1.00 0.13 H new ATOM 0 HA ALA A 16 -4.192 -33.149 -5.769 1.00 45.31 H new ATOM 0 HB1 ALA A 16 -2.617 -33.978 -7.487 1.00 4.44 H new ATOM 0 HB2 ALA A 16 -3.951 -35.122 -7.208 1.00 4.44 H new ATOM 0 HB3 ALA A 16 -3.957 -34.085 -8.653 1.00 4.44 H new ATOM 255 N ALA A 17 -4.052 -31.483 -8.619 1.00 45.30 N ATOM 256 CA ALA A 17 -3.683 -30.200 -9.204 1.00 42.42 C ATOM 257 C ALA A 17 -4.067 -30.138 -10.679 1.00 13.15 C ATOM 258 O ALA A 17 -3.570 -30.916 -11.492 1.00 72.44 O ATOM 259 CB ALA A 17 -2.191 -29.951 -9.035 1.00 32.42 C ATOM 0 H ALA A 17 -4.316 -32.196 -9.299 1.00 45.30 H new ATOM 0 HA ALA A 17 -4.232 -29.419 -8.679 1.00 42.42 H new ATOM 0 HB1 ALA A 17 -1.930 -28.989 -9.477 1.00 32.42 H new ATOM 0 HB2 ALA A 17 -1.941 -29.943 -7.974 1.00 32.42 H new ATOM 0 HB3 ALA A 17 -1.631 -30.743 -9.533 1.00 32.42 H new ATOM 265 N ARG A 18 -4.955 -29.208 -11.015 1.00 73.23 N ATOM 266 CA ARG A 18 -5.408 -29.047 -12.392 1.00 4.32 C ATOM 267 C ARG A 18 -4.738 -27.842 -13.047 1.00 23.25 C ATOM 268 O ARG A 18 -4.204 -27.942 -14.151 1.00 4.34 O ATOM 269 CB ARG A 18 -6.928 -28.884 -12.436 1.00 31.43 C ATOM 270 CG ARG A 18 -7.563 -29.436 -13.702 1.00 12.32 C ATOM 271 CD ARG A 18 -8.961 -29.973 -13.436 1.00 3.03 C ATOM 272 NE ARG A 18 -9.764 -30.037 -14.654 1.00 24.11 N ATOM 273 CZ ARG A 18 -10.226 -28.965 -15.287 1.00 2.42 C ATOM 274 NH1 ARG A 18 -9.966 -27.751 -14.819 1.00 64.53 N ATOM 275 NH2 ARG A 18 -10.950 -29.104 -16.390 1.00 64.32 N ATOM 0 H ARG A 18 -5.375 -28.555 -10.353 1.00 73.23 H new ATOM 0 HA ARG A 18 -5.129 -29.943 -12.947 1.00 4.32 H new ATOM 0 HB2 ARG A 18 -7.364 -29.386 -11.572 1.00 31.43 H new ATOM 0 HB3 ARG A 18 -7.174 -27.826 -12.348 1.00 31.43 H new ATOM 0 HG2 ARG A 18 -7.611 -28.652 -14.458 1.00 12.32 H new ATOM 0 HG3 ARG A 18 -6.937 -30.231 -14.107 1.00 12.32 H new ATOM 0 HD2 ARG A 18 -8.890 -30.968 -12.996 1.00 3.03 H new ATOM 0 HD3 ARG A 18 -9.461 -29.337 -12.705 1.00 3.03 H new ATOM 0 HE ARG A 18 -9.982 -30.956 -15.040 1.00 24.11 H new ATOM 0 HH11 ARG A 18 -9.410 -27.640 -13.971 1.00 64.53 H new ATOM 0 HH12 ARG A 18 -10.322 -26.929 -15.307 1.00 64.53 H new ATOM 0 HH21 ARG A 18 -11.153 -30.035 -16.753 1.00 64.32 H new ATOM 0 HH22 ARG A 18 -11.304 -28.279 -16.875 1.00 64.32 H new ATOM 289 N GLU A 19 -4.771 -26.706 -12.358 1.00 12.25 N ATOM 290 CA GLU A 19 -4.168 -25.482 -12.873 1.00 73.44 C ATOM 291 C GLU A 19 -3.669 -24.599 -11.734 1.00 34.05 C ATOM 292 O GLU A 19 -4.208 -24.633 -10.627 1.00 14.41 O ATOM 293 CB GLU A 19 -5.177 -24.711 -13.727 1.00 71.01 C ATOM 294 CG GLU A 19 -5.260 -25.201 -15.163 1.00 1.00 C ATOM 295 CD GLU A 19 -6.294 -26.295 -15.347 1.00 42.24 C ATOM 296 OE1 GLU A 19 -7.366 -26.211 -14.712 1.00 4.54 O ATOM 297 OE2 GLU A 19 -6.032 -27.235 -16.127 1.00 4.45 O ATOM 0 H GLU A 19 -5.209 -26.608 -11.442 1.00 12.25 H new ATOM 0 HA GLU A 19 -3.316 -25.760 -13.493 1.00 73.44 H new ATOM 0 HB2 GLU A 19 -6.163 -24.788 -13.268 1.00 71.01 H new ATOM 0 HB3 GLU A 19 -4.908 -23.655 -13.727 1.00 71.01 H new ATOM 0 HG2 GLU A 19 -5.503 -24.363 -15.816 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.284 -25.573 -15.473 1.00 1.00 H new ATOM 304 N ILE A 20 -2.637 -23.811 -12.012 1.00 40.44 N ATOM 305 CA ILE A 20 -2.066 -22.918 -11.011 1.00 64.24 C ATOM 306 C ILE A 20 -1.806 -21.533 -11.594 1.00 32.02 C ATOM 307 O ILE A 20 -0.958 -21.366 -12.471 1.00 35.12 O ATOM 308 CB ILE A 20 -0.748 -23.479 -10.444 1.00 14.04 C ATOM 309 CG1 ILE A 20 -0.981 -24.858 -9.824 1.00 31.42 C ATOM 310 CG2 ILE A 20 -0.165 -22.522 -9.415 1.00 40.31 C ATOM 311 CD1 ILE A 20 -0.374 -25.990 -10.623 1.00 31.20 C ATOM 0 H ILE A 20 -2.179 -23.772 -12.922 1.00 40.44 H new ATOM 0 HA ILE A 20 -2.796 -22.839 -10.205 1.00 64.24 H new ATOM 0 HB ILE A 20 -0.033 -23.584 -11.260 1.00 14.04 H new ATOM 0 HG12 ILE A 20 -0.564 -24.870 -8.817 1.00 31.42 H new ATOM 0 HG13 ILE A 20 -2.053 -25.027 -9.726 1.00 31.42 H new ATOM 0 HG21 ILE A 20 0.766 -22.932 -9.023 1.00 40.31 H new ATOM 0 HG22 ILE A 20 0.032 -21.558 -9.885 1.00 40.31 H new ATOM 0 HG23 ILE A 20 -0.875 -22.389 -8.599 1.00 40.31 H new ATOM 0 HD11 ILE A 20 -0.578 -26.938 -10.125 1.00 31.20 H new ATOM 0 HD12 ILE A 20 -0.809 -26.004 -11.622 1.00 31.20 H new ATOM 0 HD13 ILE A 20 0.704 -25.845 -10.699 1.00 31.20 H new ATOM 323 N ARG A 21 -2.541 -20.542 -11.099 1.00 24.11 N ATOM 324 CA ARG A 21 -2.390 -19.171 -11.570 1.00 4.53 C ATOM 325 C ARG A 21 -2.027 -18.237 -10.418 1.00 73.21 C ATOM 326 O ARG A 21 -2.653 -18.271 -9.359 1.00 12.34 O ATOM 327 CB ARG A 21 -3.680 -18.694 -12.240 1.00 4.01 C ATOM 328 CG ARG A 21 -3.729 -18.974 -13.733 1.00 55.10 C ATOM 329 CD ARG A 21 -5.161 -19.118 -14.225 1.00 51.53 C ATOM 330 NE ARG A 21 -5.253 -19.987 -15.395 1.00 41.23 N ATOM 331 CZ ARG A 21 -4.860 -19.626 -16.612 1.00 4.13 C ATOM 332 NH1 ARG A 21 -4.350 -18.419 -16.816 1.00 61.24 N ATOM 333 NH2 ARG A 21 -4.975 -20.473 -17.626 1.00 73.13 N ATOM 0 H ARG A 21 -3.246 -20.663 -10.372 1.00 24.11 H new ATOM 0 HA ARG A 21 -1.581 -19.151 -12.300 1.00 4.53 H new ATOM 0 HB2 ARG A 21 -4.530 -19.179 -11.760 1.00 4.01 H new ATOM 0 HB3 ARG A 21 -3.790 -17.622 -12.076 1.00 4.01 H new ATOM 0 HG2 ARG A 21 -3.237 -18.165 -14.273 1.00 55.10 H new ATOM 0 HG3 ARG A 21 -3.174 -19.886 -13.952 1.00 55.10 H new ATOM 0 HD2 ARG A 21 -5.781 -19.522 -13.424 1.00 51.53 H new ATOM 0 HD3 ARG A 21 -5.560 -18.134 -14.472 1.00 51.53 H new ATOM 0 HE ARG A 21 -5.640 -20.923 -15.271 1.00 41.23 H new ATOM 0 HH11 ARG A 21 -4.259 -17.766 -16.038 1.00 61.24 H new ATOM 0 HH12 ARG A 21 -4.049 -18.144 -17.751 1.00 61.24 H new ATOM 0 HH21 ARG A 21 -5.365 -21.403 -17.472 1.00 73.13 H new ATOM 0 HH22 ARG A 21 -4.673 -20.195 -18.560 1.00 73.13 H new ATOM 347 N ARG A 22 -1.013 -17.406 -10.634 1.00 22.24 N ATOM 348 CA ARG A 22 -0.566 -16.465 -9.614 1.00 31.24 C ATOM 349 C ARG A 22 -0.595 -15.035 -10.143 1.00 52.45 C ATOM 350 O ARG A 22 -0.431 -14.802 -11.341 1.00 51.42 O ATOM 351 CB ARG A 22 0.847 -16.819 -9.147 1.00 2.01 C ATOM 352 CG ARG A 22 1.867 -16.863 -10.273 1.00 21.30 C ATOM 353 CD ARG A 22 2.972 -17.868 -9.985 1.00 13.01 C ATOM 354 NE ARG A 22 3.749 -18.185 -11.180 1.00 53.11 N ATOM 355 CZ ARG A 22 4.699 -17.396 -11.670 1.00 33.03 C ATOM 356 NH1 ARG A 22 4.988 -16.250 -11.069 1.00 52.24 N ATOM 357 NH2 ARG A 22 5.362 -17.754 -12.762 1.00 1.51 N ATOM 0 H ARG A 22 -0.485 -17.365 -11.506 1.00 22.24 H new ATOM 0 HA ARG A 22 -1.249 -16.535 -8.767 1.00 31.24 H new ATOM 0 HB2 ARG A 22 1.169 -16.089 -8.405 1.00 2.01 H new ATOM 0 HB3 ARG A 22 0.824 -17.789 -8.651 1.00 2.01 H new ATOM 0 HG2 ARG A 22 1.369 -17.126 -11.206 1.00 21.30 H new ATOM 0 HG3 ARG A 22 2.301 -15.873 -10.411 1.00 21.30 H new ATOM 0 HD2 ARG A 22 3.635 -17.468 -9.217 1.00 13.01 H new ATOM 0 HD3 ARG A 22 2.535 -18.782 -9.584 1.00 13.01 H new ATOM 0 HE ARG A 22 3.552 -19.060 -11.665 1.00 53.11 H new ATOM 0 HH11 ARG A 22 4.481 -15.973 -10.229 1.00 52.24 H new ATOM 0 HH12 ARG A 22 5.718 -15.646 -11.447 1.00 52.24 H new ATOM 0 HH21 ARG A 22 5.142 -18.635 -13.226 1.00 1.51 H new ATOM 0 HH22 ARG A 22 6.091 -17.148 -13.138 1.00 1.51 H new ATOM 371 N PHE A 23 -0.806 -14.080 -9.243 1.00 45.13 N ATOM 372 CA PHE A 23 -0.858 -12.672 -9.620 1.00 62.10 C ATOM 373 C PHE A 23 -0.359 -11.786 -8.483 1.00 2.25 C ATOM 374 O PHE A 23 -0.216 -12.237 -7.346 1.00 62.44 O ATOM 375 CB PHE A 23 -2.286 -12.277 -10.001 1.00 10.23 C ATOM 376 CG PHE A 23 -3.289 -12.532 -8.912 1.00 40.02 C ATOM 377 CD1 PHE A 23 -3.388 -11.674 -7.829 1.00 34.14 C ATOM 378 CD2 PHE A 23 -4.133 -13.629 -8.973 1.00 23.33 C ATOM 379 CE1 PHE A 23 -4.310 -11.907 -6.825 1.00 62.23 C ATOM 380 CE2 PHE A 23 -5.057 -13.867 -7.972 1.00 64.35 C ATOM 381 CZ PHE A 23 -5.146 -13.004 -6.898 1.00 22.41 C ATOM 0 H PHE A 23 -0.944 -14.255 -8.248 1.00 45.13 H new ATOM 0 HA PHE A 23 -0.206 -12.528 -10.482 1.00 62.10 H new ATOM 0 HB2 PHE A 23 -2.305 -11.219 -10.261 1.00 10.23 H new ATOM 0 HB3 PHE A 23 -2.582 -12.829 -10.893 1.00 10.23 H new ATOM 0 HD1 PHE A 23 -2.738 -10.814 -7.768 1.00 34.14 H new ATOM 0 HD2 PHE A 23 -4.069 -14.306 -9.812 1.00 23.33 H new ATOM 0 HE1 PHE A 23 -4.376 -11.232 -5.985 1.00 62.23 H new ATOM 0 HE2 PHE A 23 -5.708 -14.727 -8.030 1.00 64.35 H new ATOM 0 HZ PHE A 23 -5.868 -13.186 -6.116 1.00 22.41 H new ATOM 391 N SER A 24 -0.095 -10.522 -8.797 1.00 40.34 N ATOM 392 CA SER A 24 0.392 -9.572 -7.804 1.00 24.23 C ATOM 393 C SER A 24 -0.770 -8.879 -7.099 1.00 43.10 C ATOM 394 O SER A 24 -1.554 -8.166 -7.725 1.00 75.32 O ATOM 395 CB SER A 24 1.298 -8.531 -8.464 1.00 12.52 C ATOM 396 OG SER A 24 0.540 -7.599 -9.216 1.00 73.33 O ATOM 0 H SER A 24 -0.210 -10.132 -9.732 1.00 40.34 H new ATOM 0 HA SER A 24 0.967 -10.124 -7.061 1.00 24.23 H new ATOM 0 HB2 SER A 24 1.871 -8.006 -7.700 1.00 12.52 H new ATOM 0 HB3 SER A 24 2.016 -9.030 -9.115 1.00 12.52 H new ATOM 0 HG SER A 24 -0.415 -7.761 -9.071 1.00 73.33 H new ATOM 402 N PHE A 25 -0.873 -9.093 -5.792 1.00 34.44 N ATOM 403 CA PHE A 25 -1.940 -8.491 -5.000 1.00 43.22 C ATOM 404 C PHE A 25 -1.397 -7.367 -4.122 1.00 63.21 C ATOM 405 O PHE A 25 -0.194 -7.289 -3.869 1.00 41.31 O ATOM 406 CB PHE A 25 -2.619 -9.550 -4.130 1.00 70.41 C ATOM 407 CG PHE A 25 -3.961 -9.126 -3.607 1.00 55.22 C ATOM 408 CD1 PHE A 25 -5.068 -9.099 -4.441 1.00 44.22 C ATOM 409 CD2 PHE A 25 -4.117 -8.754 -2.282 1.00 35.45 C ATOM 410 CE1 PHE A 25 -6.304 -8.708 -3.963 1.00 2.34 C ATOM 411 CE2 PHE A 25 -5.351 -8.363 -1.797 1.00 54.21 C ATOM 412 CZ PHE A 25 -6.446 -8.341 -2.639 1.00 12.53 C ATOM 0 H PHE A 25 -0.231 -9.679 -5.258 1.00 34.44 H new ATOM 0 HA PHE A 25 -2.675 -8.070 -5.687 1.00 43.22 H new ATOM 0 HB2 PHE A 25 -2.737 -10.465 -4.711 1.00 70.41 H new ATOM 0 HB3 PHE A 25 -1.969 -9.789 -3.288 1.00 70.41 H new ATOM 0 HD1 PHE A 25 -4.963 -9.387 -5.477 1.00 44.22 H new ATOM 0 HD2 PHE A 25 -3.264 -8.770 -1.620 1.00 35.45 H new ATOM 0 HE1 PHE A 25 -7.158 -8.689 -4.624 1.00 2.34 H new ATOM 0 HE2 PHE A 25 -5.459 -8.075 -0.762 1.00 54.21 H new ATOM 0 HZ PHE A 25 -7.412 -8.037 -2.263 1.00 12.53 H new ATOM 422 N CYS A 26 -2.291 -6.500 -3.661 1.00 72.13 N ATOM 423 CA CYS A 26 -1.903 -5.379 -2.812 1.00 62.34 C ATOM 424 C CYS A 26 -1.988 -5.759 -1.338 1.00 23.23 C ATOM 425 O CYS A 26 -2.873 -6.512 -0.930 1.00 5.24 O ATOM 426 CB CYS A 26 -2.794 -4.168 -3.092 1.00 31.33 C ATOM 427 SG CYS A 26 -2.215 -3.123 -4.449 1.00 74.31 S ATOM 0 H CYS A 26 -3.290 -6.551 -3.861 1.00 72.13 H new ATOM 0 HA CYS A 26 -0.869 -5.121 -3.043 1.00 62.34 H new ATOM 0 HB2 CYS A 26 -3.801 -4.517 -3.320 1.00 31.33 H new ATOM 0 HB3 CYS A 26 -2.863 -3.564 -2.187 1.00 31.33 H new ATOM 0 HG CYS A 26 -3.035 -2.127 -4.610 1.00 74.31 H new ATOM 433 N PHE A 27 -1.061 -5.235 -0.543 1.00 2.12 N ATOM 434 CA PHE A 27 -1.029 -5.521 0.887 1.00 70.12 C ATOM 435 C PHE A 27 -1.971 -4.593 1.648 1.00 21.03 C ATOM 436 O PHE A 27 -2.046 -4.639 2.876 1.00 15.01 O ATOM 437 CB PHE A 27 0.395 -5.375 1.426 1.00 4.01 C ATOM 438 CG PHE A 27 0.587 -5.983 2.786 1.00 14.54 C ATOM 439 CD1 PHE A 27 0.085 -7.242 3.074 1.00 44.21 C ATOM 440 CD2 PHE A 27 1.267 -5.294 3.778 1.00 62.03 C ATOM 441 CE1 PHE A 27 0.260 -7.804 4.325 1.00 71.05 C ATOM 442 CE2 PHE A 27 1.445 -5.851 5.030 1.00 61.32 C ATOM 443 CZ PHE A 27 0.940 -7.107 5.304 1.00 31.20 C ATOM 0 H PHE A 27 -0.322 -4.610 -0.865 1.00 2.12 H new ATOM 0 HA PHE A 27 -1.362 -6.548 1.034 1.00 70.12 H new ATOM 0 HB2 PHE A 27 1.089 -5.842 0.727 1.00 4.01 H new ATOM 0 HB3 PHE A 27 0.651 -4.316 1.471 1.00 4.01 H new ATOM 0 HD1 PHE A 27 -0.449 -7.791 2.312 1.00 44.21 H new ATOM 0 HD2 PHE A 27 1.662 -4.311 3.570 1.00 62.03 H new ATOM 0 HE1 PHE A 27 -0.135 -8.787 4.536 1.00 71.05 H new ATOM 0 HE2 PHE A 27 1.979 -5.305 5.794 1.00 61.32 H new ATOM 0 HZ PHE A 27 1.077 -7.543 6.282 1.00 31.20 H new ATOM 453 N SER A 28 -2.687 -3.751 0.910 1.00 1.22 N ATOM 454 CA SER A 28 -3.621 -2.808 1.515 1.00 21.40 C ATOM 455 C SER A 28 -4.699 -3.544 2.306 1.00 42.42 C ATOM 456 O SER A 28 -4.945 -4.734 2.110 1.00 11.13 O ATOM 457 CB SER A 28 -4.268 -1.937 0.437 1.00 13.43 C ATOM 458 OG SER A 28 -4.406 -2.649 -0.780 1.00 43.21 O ATOM 0 H SER A 28 -2.638 -3.702 -0.108 1.00 1.22 H new ATOM 0 HA SER A 28 -3.063 -2.170 2.201 1.00 21.40 H new ATOM 0 HB2 SER A 28 -5.247 -1.599 0.777 1.00 13.43 H new ATOM 0 HB3 SER A 28 -3.662 -1.046 0.274 1.00 13.43 H new ATOM 0 HG SER A 28 -4.824 -2.071 -1.452 1.00 43.21 H new ATOM 464 N PRO A 29 -5.358 -2.818 3.222 1.00 63.33 N ATOM 465 CA PRO A 29 -6.421 -3.380 4.061 1.00 45.31 C ATOM 466 C PRO A 29 -7.681 -3.699 3.264 1.00 42.10 C ATOM 467 O PRO A 29 -8.265 -4.771 3.413 1.00 21.55 O ATOM 468 CB PRO A 29 -6.697 -2.267 5.075 1.00 23.01 C ATOM 469 CG PRO A 29 -6.276 -1.014 4.387 1.00 22.42 C ATOM 470 CD PRO A 29 -5.116 -1.394 3.508 1.00 34.22 C ATOM 0 HA PRO A 29 -6.125 -4.326 4.515 1.00 45.31 H new ATOM 0 HB2 PRO A 29 -7.752 -2.233 5.348 1.00 23.01 H new ATOM 0 HB3 PRO A 29 -6.134 -2.422 5.995 1.00 23.01 H new ATOM 0 HG2 PRO A 29 -7.093 -0.599 3.797 1.00 22.42 H new ATOM 0 HG3 PRO A 29 -5.985 -0.251 5.109 1.00 22.42 H new ATOM 0 HD2 PRO A 29 -5.092 -0.799 2.595 1.00 34.22 H new ATOM 0 HD3 PRO A 29 -4.162 -1.242 4.013 1.00 34.22 H new ATOM 478 N GLU A 30 -8.094 -2.761 2.417 1.00 5.22 N ATOM 479 CA GLU A 30 -9.285 -2.944 1.597 1.00 14.23 C ATOM 480 C GLU A 30 -9.136 -2.234 0.255 1.00 53.13 C ATOM 481 O GLU A 30 -8.403 -1.254 0.120 1.00 63.42 O ATOM 482 CB GLU A 30 -10.521 -2.418 2.330 1.00 13.01 C ATOM 483 CG GLU A 30 -10.700 -3.004 3.720 1.00 21.45 C ATOM 484 CD GLU A 30 -11.873 -2.395 4.464 1.00 23.42 C ATOM 485 OE1 GLU A 30 -12.739 -1.783 3.807 1.00 53.43 O ATOM 486 OE2 GLU A 30 -11.923 -2.532 5.705 1.00 74.54 O ATOM 0 H GLU A 30 -7.621 -1.867 2.281 1.00 5.22 H new ATOM 0 HA GLU A 30 -9.407 -4.011 1.412 1.00 14.23 H new ATOM 0 HB2 GLU A 30 -10.452 -1.333 2.409 1.00 13.01 H new ATOM 0 HB3 GLU A 30 -11.407 -2.639 1.735 1.00 13.01 H new ATOM 0 HG2 GLU A 30 -10.845 -4.081 3.640 1.00 21.45 H new ATOM 0 HG3 GLU A 30 -9.788 -2.847 4.296 1.00 21.45 H new ATOM 493 N PRO A 31 -9.848 -2.739 -0.764 1.00 33.24 N ATOM 494 CA PRO A 31 -9.813 -2.170 -2.114 1.00 4.21 C ATOM 495 C PRO A 31 -10.492 -0.807 -2.186 1.00 54.24 C ATOM 496 O PRO A 31 -10.133 0.033 -3.011 1.00 63.41 O ATOM 497 CB PRO A 31 -10.580 -3.195 -2.952 1.00 32.43 C ATOM 498 CG PRO A 31 -11.485 -3.875 -1.983 1.00 22.32 C ATOM 499 CD PRO A 31 -10.744 -3.905 -0.675 1.00 25.01 C ATOM 0 HA PRO A 31 -8.793 -1.998 -2.457 1.00 4.21 H new ATOM 0 HB2 PRO A 31 -11.145 -2.712 -3.749 1.00 32.43 H new ATOM 0 HB3 PRO A 31 -9.903 -3.905 -3.427 1.00 32.43 H new ATOM 0 HG2 PRO A 31 -12.428 -3.336 -1.885 1.00 22.32 H new ATOM 0 HG3 PRO A 31 -11.728 -4.884 -2.317 1.00 22.32 H new ATOM 0 HD2 PRO A 31 -11.423 -3.826 0.174 1.00 25.01 H new ATOM 0 HD3 PRO A 31 -10.185 -4.833 -0.551 1.00 25.01 H new ATOM 507 N GLU A 32 -11.476 -0.594 -1.318 1.00 21.03 N ATOM 508 CA GLU A 32 -12.206 0.668 -1.285 1.00 5.11 C ATOM 509 C GLU A 32 -12.842 0.893 0.084 1.00 44.42 C ATOM 510 O GLU A 32 -12.950 -0.031 0.889 1.00 14.31 O ATOM 511 CB GLU A 32 -13.284 0.688 -2.370 1.00 70.41 C ATOM 512 CG GLU A 32 -13.796 2.081 -2.694 1.00 73.12 C ATOM 513 CD GLU A 32 -14.264 2.211 -4.131 1.00 4.12 C ATOM 514 OE1 GLU A 32 -14.600 1.176 -4.742 1.00 71.31 O ATOM 515 OE2 GLU A 32 -14.293 3.350 -4.644 1.00 23.44 O ATOM 0 H GLU A 32 -11.786 -1.279 -0.629 1.00 21.03 H new ATOM 0 HA GLU A 32 -11.496 1.474 -1.474 1.00 5.11 H new ATOM 0 HB2 GLU A 32 -12.882 0.238 -3.278 1.00 70.41 H new ATOM 0 HB3 GLU A 32 -14.121 0.068 -2.050 1.00 70.41 H new ATOM 0 HG2 GLU A 32 -14.620 2.326 -2.024 1.00 73.12 H new ATOM 0 HG3 GLU A 32 -13.005 2.807 -2.506 1.00 73.12 H new ATOM 522 N ALA A 33 -13.259 2.129 0.339 1.00 34.14 N ATOM 523 CA ALA A 33 -13.886 2.476 1.609 1.00 44.21 C ATOM 524 C ALA A 33 -15.367 2.786 1.424 1.00 73.43 C ATOM 525 O ALA A 33 -16.203 2.362 2.222 1.00 40.34 O ATOM 526 CB ALA A 33 -13.172 3.661 2.243 1.00 52.45 C ATOM 0 H ALA A 33 -13.174 2.906 -0.316 1.00 34.14 H new ATOM 0 HA ALA A 33 -13.802 1.616 2.274 1.00 44.21 H new ATOM 0 HB1 ALA A 33 -13.650 3.910 3.190 1.00 52.45 H new ATOM 0 HB2 ALA A 33 -12.128 3.404 2.420 1.00 52.45 H new ATOM 0 HB3 ALA A 33 -13.226 4.519 1.573 1.00 52.45 H new ATOM 532 N GLU A 34 -15.685 3.527 0.367 1.00 61.33 N ATOM 533 CA GLU A 34 -17.067 3.893 0.079 1.00 4.30 C ATOM 534 C GLU A 34 -17.824 2.720 -0.537 1.00 2.31 C ATOM 535 O GLU A 34 -18.752 2.182 0.065 1.00 12.25 O ATOM 536 CB GLU A 34 -17.112 5.096 -0.865 1.00 52.44 C ATOM 537 CG GLU A 34 -16.197 6.234 -0.446 1.00 44.23 C ATOM 538 CD GLU A 34 -16.303 7.437 -1.364 1.00 62.30 C ATOM 539 OE1 GLU A 34 -17.264 7.494 -2.159 1.00 10.11 O ATOM 540 OE2 GLU A 34 -15.424 8.321 -1.287 1.00 21.34 O ATOM 0 H GLU A 34 -15.005 3.885 -0.303 1.00 61.33 H new ATOM 0 HA GLU A 34 -17.549 4.160 1.019 1.00 4.30 H new ATOM 0 HB2 GLU A 34 -16.837 4.770 -1.868 1.00 52.44 H new ATOM 0 HB3 GLU A 34 -18.136 5.466 -0.920 1.00 52.44 H new ATOM 0 HG2 GLU A 34 -16.442 6.536 0.572 1.00 44.23 H new ATOM 0 HG3 GLU A 34 -15.166 5.881 -0.434 1.00 44.23 H new ATOM 547 N ALA A 35 -17.420 2.330 -1.742 1.00 12.25 N ATOM 548 CA ALA A 35 -18.059 1.221 -2.439 1.00 23.11 C ATOM 549 C ALA A 35 -18.084 -0.032 -1.570 1.00 72.01 C ATOM 550 O ALA A 35 -19.047 -0.798 -1.597 1.00 62.24 O ATOM 551 CB ALA A 35 -17.342 0.941 -3.752 1.00 35.42 C ATOM 0 H ALA A 35 -16.654 2.766 -2.255 1.00 12.25 H new ATOM 0 HA ALA A 35 -19.090 1.503 -2.653 1.00 23.11 H new ATOM 0 HB1 ALA A 35 -17.829 0.110 -4.263 1.00 35.42 H new ATOM 0 HB2 ALA A 35 -17.380 1.828 -4.384 1.00 35.42 H new ATOM 0 HB3 ALA A 35 -16.302 0.683 -3.551 1.00 35.42 H new ATOM 557 N ALA A 36 -17.020 -0.235 -0.800 1.00 41.54 N ATOM 558 CA ALA A 36 -16.921 -1.394 0.077 1.00 15.04 C ATOM 559 C ALA A 36 -17.979 -1.343 1.175 1.00 4.23 C ATOM 560 O ALA A 36 -18.084 -0.356 1.903 1.00 23.12 O ATOM 561 CB ALA A 36 -15.529 -1.479 0.686 1.00 55.41 C ATOM 0 H ALA A 36 -16.214 0.389 -0.766 1.00 41.54 H new ATOM 0 HA ALA A 36 -17.098 -2.288 -0.522 1.00 15.04 H new ATOM 0 HB1 ALA A 36 -15.470 -2.350 1.339 1.00 55.41 H new ATOM 0 HB2 ALA A 36 -14.789 -1.571 -0.109 1.00 55.41 H new ATOM 0 HB3 ALA A 36 -15.329 -0.577 1.265 1.00 55.41 H new ATOM 567 N ALA A 37 -18.760 -2.412 1.288 1.00 12.31 N ATOM 568 CA ALA A 37 -19.808 -2.488 2.298 1.00 33.51 C ATOM 569 C ALA A 37 -19.595 -3.684 3.221 1.00 40.42 C ATOM 570 O ALA A 37 -20.520 -4.451 3.483 1.00 72.03 O ATOM 571 CB ALA A 37 -21.175 -2.569 1.635 1.00 54.40 C ATOM 0 H ALA A 37 -18.687 -3.237 0.693 1.00 12.31 H new ATOM 0 HA ALA A 37 -19.762 -1.582 2.902 1.00 33.51 H new ATOM 0 HB1 ALA A 37 -21.948 -2.625 2.401 1.00 54.40 H new ATOM 0 HB2 ALA A 37 -21.335 -1.682 1.022 1.00 54.40 H new ATOM 0 HB3 ALA A 37 -21.222 -3.458 1.006 1.00 54.40 H new ATOM 577 N GLY A 38 -18.368 -3.836 3.711 1.00 53.12 N ATOM 578 CA GLY A 38 -18.056 -4.941 4.598 1.00 1.34 C ATOM 579 C GLY A 38 -16.792 -5.672 4.191 1.00 32.02 C ATOM 580 O GLY A 38 -15.736 -5.520 4.806 1.00 71.15 O ATOM 0 H GLY A 38 -17.585 -3.214 3.509 1.00 53.12 H new ATOM 0 HA2 GLY A 38 -17.943 -4.566 5.615 1.00 1.34 H new ATOM 0 HA3 GLY A 38 -18.891 -5.642 4.607 1.00 1.34 H new ATOM 584 N PRO A 39 -16.892 -6.489 3.132 1.00 22.01 N ATOM 585 CA PRO A 39 -15.757 -7.264 2.621 1.00 75.03 C ATOM 586 C PRO A 39 -14.701 -6.382 1.964 1.00 14.52 C ATOM 587 O PRO A 39 -14.767 -5.156 2.042 1.00 53.51 O ATOM 588 CB PRO A 39 -16.399 -8.191 1.585 1.00 51.40 C ATOM 589 CG PRO A 39 -17.630 -7.475 1.148 1.00 75.12 C ATOM 590 CD PRO A 39 -18.119 -6.719 2.352 1.00 54.30 C ATOM 0 HA PRO A 39 -15.231 -7.791 3.418 1.00 75.03 H new ATOM 0 HB2 PRO A 39 -15.727 -8.372 0.746 1.00 51.40 H new ATOM 0 HB3 PRO A 39 -16.638 -9.163 2.017 1.00 51.40 H new ATOM 0 HG2 PRO A 39 -17.415 -6.797 0.322 1.00 75.12 H new ATOM 0 HG3 PRO A 39 -18.385 -8.177 0.795 1.00 75.12 H new ATOM 0 HD2 PRO A 39 -18.598 -5.781 2.070 1.00 54.30 H new ATOM 0 HD3 PRO A 39 -18.852 -7.294 2.917 1.00 54.30 H new ATOM 598 N GLY A 40 -13.727 -7.014 1.317 1.00 53.14 N ATOM 599 CA GLY A 40 -12.671 -6.270 0.656 1.00 51.14 C ATOM 600 C GLY A 40 -11.680 -7.174 -0.050 1.00 5.40 C ATOM 601 O GLY A 40 -11.665 -7.277 -1.277 1.00 33.23 O ATOM 0 H GLY A 40 -13.650 -8.028 1.239 1.00 53.14 H new ATOM 0 HA2 GLY A 40 -13.112 -5.584 -0.067 1.00 51.14 H new ATOM 0 HA3 GLY A 40 -12.144 -5.662 1.391 1.00 51.14 H new ATOM 605 N PRO A 41 -10.825 -7.847 0.734 1.00 5.21 N ATOM 606 CA PRO A 41 -9.808 -8.757 0.198 1.00 32.34 C ATOM 607 C PRO A 41 -10.418 -10.024 -0.392 1.00 30.35 C ATOM 608 O PRO A 41 -10.039 -10.458 -1.480 1.00 72.12 O ATOM 609 CB PRO A 41 -8.954 -9.095 1.423 1.00 43.14 C ATOM 610 CG PRO A 41 -9.863 -8.897 2.586 1.00 73.13 C ATOM 611 CD PRO A 41 -10.785 -7.772 2.204 1.00 5.52 C ATOM 0 HA PRO A 41 -9.246 -8.305 -0.619 1.00 32.34 H new ATOM 0 HB2 PRO A 41 -8.586 -10.120 1.378 1.00 43.14 H new ATOM 0 HB3 PRO A 41 -8.081 -8.446 1.488 1.00 43.14 H new ATOM 0 HG2 PRO A 41 -10.425 -9.806 2.801 1.00 73.13 H new ATOM 0 HG3 PRO A 41 -9.298 -8.651 3.485 1.00 73.13 H new ATOM 0 HD2 PRO A 41 -11.776 -7.899 2.640 1.00 5.52 H new ATOM 0 HD3 PRO A 41 -10.407 -6.809 2.547 1.00 5.52 H new ATOM 619 N CYS A 42 -11.363 -10.613 0.333 1.00 53.32 N ATOM 620 CA CYS A 42 -12.026 -11.831 -0.119 1.00 64.24 C ATOM 621 C CYS A 42 -12.648 -11.632 -1.498 1.00 25.52 C ATOM 622 O CYS A 42 -12.353 -12.374 -2.434 1.00 43.15 O ATOM 623 CB CYS A 42 -13.101 -12.254 0.883 1.00 40.34 C ATOM 624 SG CYS A 42 -14.129 -13.633 0.325 1.00 44.12 S ATOM 0 H CYS A 42 -11.687 -10.267 1.236 1.00 53.32 H new ATOM 0 HA CYS A 42 -11.276 -12.619 -0.189 1.00 64.24 H new ATOM 0 HB2 CYS A 42 -12.620 -12.530 1.821 1.00 40.34 H new ATOM 0 HB3 CYS A 42 -13.743 -11.399 1.094 1.00 40.34 H new ATOM 0 HG CYS A 42 -15.364 -13.420 0.669 1.00 44.12 H new ATOM 630 N GLU A 43 -13.511 -10.628 -1.613 1.00 5.22 N ATOM 631 CA GLU A 43 -14.176 -10.334 -2.877 1.00 22.13 C ATOM 632 C GLU A 43 -13.163 -9.924 -3.942 1.00 52.01 C ATOM 633 O GLU A 43 -13.403 -10.090 -5.138 1.00 51.01 O ATOM 634 CB GLU A 43 -15.211 -9.224 -2.687 1.00 54.34 C ATOM 635 CG GLU A 43 -15.787 -8.699 -3.992 1.00 70.42 C ATOM 636 CD GLU A 43 -16.551 -9.760 -4.761 1.00 25.30 C ATOM 637 OE1 GLU A 43 -15.929 -10.766 -5.163 1.00 5.41 O ATOM 638 OE2 GLU A 43 -17.771 -9.585 -4.960 1.00 41.43 O ATOM 0 H GLU A 43 -13.766 -10.005 -0.847 1.00 5.22 H new ATOM 0 HA GLU A 43 -14.682 -11.239 -3.212 1.00 22.13 H new ATOM 0 HB2 GLU A 43 -16.024 -9.599 -2.066 1.00 54.34 H new ATOM 0 HB3 GLU A 43 -14.750 -8.398 -2.145 1.00 54.34 H new ATOM 0 HG2 GLU A 43 -16.450 -7.860 -3.781 1.00 70.42 H new ATOM 0 HG3 GLU A 43 -14.978 -8.317 -4.614 1.00 70.42 H new ATOM 645 N ARG A 44 -12.031 -9.387 -3.499 1.00 32.14 N ATOM 646 CA ARG A 44 -10.983 -8.951 -4.413 1.00 63.41 C ATOM 647 C ARG A 44 -10.214 -10.147 -4.968 1.00 52.14 C ATOM 648 O ARG A 44 -9.798 -10.147 -6.128 1.00 34.21 O ATOM 649 CB ARG A 44 -10.020 -7.998 -3.702 1.00 70.41 C ATOM 650 CG ARG A 44 -10.395 -6.533 -3.848 1.00 53.20 C ATOM 651 CD ARG A 44 -9.965 -5.979 -5.198 1.00 32.44 C ATOM 652 NE ARG A 44 -10.841 -4.902 -5.652 1.00 23.24 N ATOM 653 CZ ARG A 44 -10.612 -4.180 -6.742 1.00 42.54 C ATOM 654 NH1 ARG A 44 -9.541 -4.418 -7.487 1.00 71.11 N ATOM 655 NH2 ARG A 44 -11.455 -3.216 -7.090 1.00 72.15 N ATOM 0 H ARG A 44 -11.816 -9.244 -2.512 1.00 32.14 H new ATOM 0 HA ARG A 44 -11.455 -8.426 -5.244 1.00 63.41 H new ATOM 0 HB2 ARG A 44 -9.987 -8.252 -2.643 1.00 70.41 H new ATOM 0 HB3 ARG A 44 -9.015 -8.148 -4.097 1.00 70.41 H new ATOM 0 HG2 ARG A 44 -11.473 -6.419 -3.734 1.00 53.20 H new ATOM 0 HG3 ARG A 44 -9.927 -5.955 -3.051 1.00 53.20 H new ATOM 0 HD2 ARG A 44 -8.942 -5.609 -5.129 1.00 32.44 H new ATOM 0 HD3 ARG A 44 -9.965 -6.781 -5.936 1.00 32.44 H new ATOM 0 HE ARG A 44 -11.674 -4.693 -5.102 1.00 23.24 H new ATOM 0 HH11 ARG A 44 -8.890 -5.158 -7.223 1.00 71.11 H new ATOM 0 HH12 ARG A 44 -9.368 -3.861 -8.324 1.00 71.11 H new ATOM 0 HH21 ARG A 44 -12.280 -3.029 -6.520 1.00 72.15 H new ATOM 0 HH22 ARG A 44 -11.278 -2.662 -7.928 1.00 72.15 H new ATOM 669 N LEU A 45 -10.029 -11.164 -4.134 1.00 4.42 N ATOM 670 CA LEU A 45 -9.310 -12.366 -4.541 1.00 4.03 C ATOM 671 C LEU A 45 -10.219 -13.304 -5.327 1.00 71.42 C ATOM 672 O LEU A 45 -9.864 -13.765 -6.413 1.00 52.43 O ATOM 673 CB LEU A 45 -8.750 -13.089 -3.314 1.00 41.12 C ATOM 674 CG LEU A 45 -8.381 -14.559 -3.512 1.00 63.43 C ATOM 675 CD1 LEU A 45 -7.360 -14.708 -4.630 1.00 53.31 C ATOM 676 CD2 LEU A 45 -7.847 -15.154 -2.218 1.00 25.35 C ATOM 0 H LEU A 45 -10.367 -11.180 -3.172 1.00 4.42 H new ATOM 0 HA LEU A 45 -8.485 -12.065 -5.186 1.00 4.03 H new ATOM 0 HB2 LEU A 45 -7.862 -12.555 -2.976 1.00 41.12 H new ATOM 0 HB3 LEU A 45 -9.485 -13.025 -2.512 1.00 41.12 H new ATOM 0 HG LEU A 45 -9.281 -15.104 -3.795 1.00 63.43 H new ATOM 0 HD11 LEU A 45 -7.110 -15.761 -4.756 1.00 53.31 H new ATOM 0 HD12 LEU A 45 -7.779 -14.321 -5.559 1.00 53.31 H new ATOM 0 HD13 LEU A 45 -6.459 -14.149 -4.377 1.00 53.31 H new ATOM 0 HD21 LEU A 45 -7.590 -16.201 -2.378 1.00 25.35 H new ATOM 0 HD22 LEU A 45 -6.959 -14.606 -1.905 1.00 25.35 H new ATOM 0 HD23 LEU A 45 -8.610 -15.082 -1.443 1.00 25.35 H new ATOM 688 N LEU A 46 -11.394 -13.583 -4.773 1.00 40.14 N ATOM 689 CA LEU A 46 -12.357 -14.465 -5.424 1.00 43.11 C ATOM 690 C LEU A 46 -12.726 -13.942 -6.808 1.00 43.45 C ATOM 691 O LEU A 46 -13.173 -14.698 -7.670 1.00 74.21 O ATOM 692 CB LEU A 46 -13.615 -14.601 -4.565 1.00 53.44 C ATOM 693 CG LEU A 46 -13.428 -15.262 -3.200 1.00 30.42 C ATOM 694 CD1 LEU A 46 -14.771 -15.462 -2.515 1.00 30.13 C ATOM 695 CD2 LEU A 46 -12.699 -16.590 -3.346 1.00 72.31 C ATOM 0 H LEU A 46 -11.703 -13.211 -3.875 1.00 40.14 H new ATOM 0 HA LEU A 46 -11.895 -15.446 -5.538 1.00 43.11 H new ATOM 0 HB2 LEU A 46 -14.034 -13.607 -4.410 1.00 53.44 H new ATOM 0 HB3 LEU A 46 -14.353 -15.174 -5.126 1.00 53.44 H new ATOM 0 HG LEU A 46 -12.821 -14.603 -2.579 1.00 30.42 H new ATOM 0 HD11 LEU A 46 -14.618 -15.934 -1.544 1.00 30.13 H new ATOM 0 HD12 LEU A 46 -15.256 -14.496 -2.376 1.00 30.13 H new ATOM 0 HD13 LEU A 46 -15.403 -16.100 -3.133 1.00 30.13 H new ATOM 0 HD21 LEU A 46 -12.575 -17.047 -2.364 1.00 72.31 H new ATOM 0 HD22 LEU A 46 -13.280 -17.256 -3.985 1.00 72.31 H new ATOM 0 HD23 LEU A 46 -11.720 -16.420 -3.794 1.00 72.31 H new ATOM 707 N SER A 47 -12.533 -12.643 -7.015 1.00 42.23 N ATOM 708 CA SER A 47 -12.847 -12.018 -8.295 1.00 2.43 C ATOM 709 C SER A 47 -11.863 -12.463 -9.373 1.00 12.43 C ATOM 710 O SER A 47 -12.261 -12.820 -10.482 1.00 4.22 O ATOM 711 CB SER A 47 -12.820 -10.494 -8.162 1.00 14.32 C ATOM 712 OG SER A 47 -14.131 -9.957 -8.188 1.00 55.30 O ATOM 0 H SER A 47 -12.161 -12.003 -6.313 1.00 42.23 H new ATOM 0 HA SER A 47 -13.848 -12.333 -8.589 1.00 2.43 H new ATOM 0 HB2 SER A 47 -12.328 -10.216 -7.230 1.00 14.32 H new ATOM 0 HB3 SER A 47 -12.232 -10.065 -8.973 1.00 14.32 H new ATOM 0 HG SER A 47 -14.087 -8.982 -8.100 1.00 55.30 H new ATOM 718 N ARG A 48 -10.577 -12.438 -9.038 1.00 53.21 N ATOM 719 CA ARG A 48 -9.536 -12.837 -9.977 1.00 23.12 C ATOM 720 C ARG A 48 -9.606 -14.334 -10.263 1.00 35.21 C ATOM 721 O ARG A 48 -9.614 -14.756 -11.419 1.00 65.44 O ATOM 722 CB ARG A 48 -8.156 -12.477 -9.423 1.00 64.55 C ATOM 723 CG ARG A 48 -8.094 -11.098 -8.789 1.00 14.31 C ATOM 724 CD ARG A 48 -8.607 -10.025 -9.738 1.00 25.15 C ATOM 725 NE ARG A 48 -7.791 -9.928 -10.945 1.00 52.13 N ATOM 726 CZ ARG A 48 -7.882 -8.928 -11.815 1.00 74.11 C ATOM 727 NH1 ARG A 48 -8.748 -7.945 -11.612 1.00 13.15 N ATOM 728 NH2 ARG A 48 -7.106 -8.910 -12.891 1.00 21.11 N ATOM 0 H ARG A 48 -10.231 -12.146 -8.124 1.00 53.21 H new ATOM 0 HA ARG A 48 -9.698 -12.299 -10.911 1.00 23.12 H new ATOM 0 HB2 ARG A 48 -7.866 -13.222 -8.682 1.00 64.55 H new ATOM 0 HB3 ARG A 48 -7.425 -12.530 -10.230 1.00 64.55 H new ATOM 0 HG2 ARG A 48 -8.687 -11.090 -7.874 1.00 14.31 H new ATOM 0 HG3 ARG A 48 -7.066 -10.873 -8.505 1.00 14.31 H new ATOM 0 HD2 ARG A 48 -9.638 -10.248 -10.014 1.00 25.15 H new ATOM 0 HD3 ARG A 48 -8.615 -9.062 -9.227 1.00 25.15 H new ATOM 0 HE ARG A 48 -7.114 -10.668 -11.130 1.00 52.13 H new ATOM 0 HH11 ARG A 48 -9.347 -7.955 -10.786 1.00 13.15 H new ATOM 0 HH12 ARG A 48 -8.816 -7.179 -12.282 1.00 13.15 H new ATOM 0 HH21 ARG A 48 -6.439 -9.665 -13.051 1.00 21.11 H new ATOM 0 HH22 ARG A 48 -7.177 -8.142 -13.558 1.00 21.11 H new ATOM 742 N VAL A 49 -9.658 -15.133 -9.201 1.00 53.44 N ATOM 743 CA VAL A 49 -9.729 -16.583 -9.338 1.00 11.50 C ATOM 744 C VAL A 49 -10.816 -16.989 -10.327 1.00 45.13 C ATOM 745 O VAL A 49 -10.689 -17.994 -11.026 1.00 24.12 O ATOM 746 CB VAL A 49 -10.004 -17.261 -7.983 1.00 31.11 C ATOM 747 CG1 VAL A 49 -10.003 -18.775 -8.134 1.00 1.34 C ATOM 748 CG2 VAL A 49 -8.980 -16.819 -6.949 1.00 22.34 C ATOM 0 H VAL A 49 -9.652 -14.800 -8.237 1.00 53.44 H new ATOM 0 HA VAL A 49 -8.760 -16.914 -9.712 1.00 11.50 H new ATOM 0 HB VAL A 49 -10.991 -16.955 -7.636 1.00 31.11 H new ATOM 0 HG11 VAL A 49 -10.199 -19.237 -7.167 1.00 1.34 H new ATOM 0 HG12 VAL A 49 -10.778 -19.071 -8.841 1.00 1.34 H new ATOM 0 HG13 VAL A 49 -9.031 -19.103 -8.503 1.00 1.34 H new ATOM 0 HG21 VAL A 49 -9.189 -17.308 -5.997 1.00 22.34 H new ATOM 0 HG22 VAL A 49 -7.981 -17.094 -7.286 1.00 22.34 H new ATOM 0 HG23 VAL A 49 -9.035 -15.738 -6.821 1.00 22.34 H new ATOM 758 N ALA A 50 -11.884 -16.200 -10.382 1.00 23.14 N ATOM 759 CA ALA A 50 -12.992 -16.476 -11.287 1.00 61.14 C ATOM 760 C ALA A 50 -12.581 -16.260 -12.740 1.00 3.22 C ATOM 761 O ALA A 50 -12.764 -17.136 -13.585 1.00 23.44 O ATOM 762 CB ALA A 50 -14.188 -15.602 -10.940 1.00 21.33 C ATOM 0 H ALA A 50 -12.005 -15.364 -9.810 1.00 23.14 H new ATOM 0 HA ALA A 50 -13.274 -17.522 -11.168 1.00 61.14 H new ATOM 0 HB1 ALA A 50 -15.008 -15.819 -11.624 1.00 21.33 H new ATOM 0 HB2 ALA A 50 -14.505 -15.808 -9.917 1.00 21.33 H new ATOM 0 HB3 ALA A 50 -13.909 -14.552 -11.029 1.00 21.33 H new ATOM 768 N VAL A 51 -12.025 -15.086 -13.024 1.00 63.31 N ATOM 769 CA VAL A 51 -11.587 -14.755 -14.375 1.00 11.11 C ATOM 770 C VAL A 51 -10.348 -15.553 -14.762 1.00 65.34 C ATOM 771 O VAL A 51 -10.055 -15.732 -15.946 1.00 10.54 O ATOM 772 CB VAL A 51 -11.280 -13.252 -14.512 1.00 40.15 C ATOM 773 CG1 VAL A 51 -10.277 -12.813 -13.457 1.00 2.12 C ATOM 774 CG2 VAL A 51 -10.767 -12.939 -15.910 1.00 60.10 C ATOM 0 H VAL A 51 -11.867 -14.349 -12.337 1.00 63.31 H new ATOM 0 HA VAL A 51 -12.406 -15.014 -15.046 1.00 11.11 H new ATOM 0 HB VAL A 51 -12.203 -12.695 -14.355 1.00 40.15 H new ATOM 0 HG11 VAL A 51 -10.073 -11.748 -13.570 1.00 2.12 H new ATOM 0 HG12 VAL A 51 -10.687 -13.001 -12.465 1.00 2.12 H new ATOM 0 HG13 VAL A 51 -9.351 -13.375 -13.579 1.00 2.12 H new ATOM 0 HG21 VAL A 51 -10.555 -11.873 -15.990 1.00 60.10 H new ATOM 0 HG22 VAL A 51 -9.855 -13.505 -16.098 1.00 60.10 H new ATOM 0 HG23 VAL A 51 -11.523 -13.214 -16.645 1.00 60.10 H new ATOM 784 N LEU A 52 -9.622 -16.033 -13.758 1.00 42.14 N ATOM 785 CA LEU A 52 -8.412 -16.814 -13.993 1.00 74.04 C ATOM 786 C LEU A 52 -8.748 -18.288 -14.200 1.00 44.43 C ATOM 787 O LEU A 52 -8.085 -18.984 -14.970 1.00 2.23 O ATOM 788 CB LEU A 52 -7.445 -16.659 -12.818 1.00 74.43 C ATOM 789 CG LEU A 52 -6.879 -15.257 -12.595 1.00 43.35 C ATOM 790 CD1 LEU A 52 -6.173 -15.173 -11.251 1.00 32.42 C ATOM 791 CD2 LEU A 52 -5.928 -14.880 -13.723 1.00 33.33 C ATOM 0 H LEU A 52 -9.850 -15.895 -12.773 1.00 42.14 H new ATOM 0 HA LEU A 52 -7.936 -16.438 -14.899 1.00 74.04 H new ATOM 0 HB2 LEU A 52 -7.958 -16.971 -11.908 1.00 74.43 H new ATOM 0 HB3 LEU A 52 -6.612 -17.346 -12.966 1.00 74.43 H new ATOM 0 HG LEU A 52 -7.707 -14.549 -12.592 1.00 43.35 H new ATOM 0 HD11 LEU A 52 -5.777 -14.167 -11.110 1.00 32.42 H new ATOM 0 HD12 LEU A 52 -6.881 -15.399 -10.453 1.00 32.42 H new ATOM 0 HD13 LEU A 52 -5.355 -15.892 -11.224 1.00 32.42 H new ATOM 0 HD21 LEU A 52 -5.535 -13.879 -13.548 1.00 33.33 H new ATOM 0 HD22 LEU A 52 -5.104 -15.593 -13.758 1.00 33.33 H new ATOM 0 HD23 LEU A 52 -6.464 -14.898 -14.672 1.00 33.33 H new ATOM 803 N PHE A 53 -9.782 -18.756 -13.510 1.00 60.42 N ATOM 804 CA PHE A 53 -10.206 -20.147 -13.619 1.00 75.21 C ATOM 805 C PHE A 53 -11.611 -20.243 -14.208 1.00 42.32 C ATOM 806 O PHE A 53 -12.577 -20.580 -13.524 1.00 0.03 O ATOM 807 CB PHE A 53 -10.170 -20.823 -12.247 1.00 0.34 C ATOM 808 CG PHE A 53 -8.781 -20.998 -11.702 1.00 34.33 C ATOM 809 CD1 PHE A 53 -7.985 -22.051 -12.123 1.00 74.25 C ATOM 810 CD2 PHE A 53 -8.272 -20.110 -10.768 1.00 62.32 C ATOM 811 CE1 PHE A 53 -6.708 -22.215 -11.623 1.00 23.40 C ATOM 812 CE2 PHE A 53 -6.994 -20.269 -10.264 1.00 74.24 C ATOM 813 CZ PHE A 53 -6.211 -21.323 -10.693 1.00 51.43 C ATOM 0 H PHE A 53 -10.342 -18.193 -12.870 1.00 60.42 H new ATOM 0 HA PHE A 53 -9.514 -20.660 -14.287 1.00 75.21 H new ATOM 0 HB2 PHE A 53 -10.756 -20.231 -11.544 1.00 0.34 H new ATOM 0 HB3 PHE A 53 -10.649 -21.799 -12.319 1.00 0.34 H new ATOM 0 HD1 PHE A 53 -8.367 -22.752 -12.850 1.00 74.25 H new ATOM 0 HD2 PHE A 53 -8.880 -19.284 -10.430 1.00 62.32 H new ATOM 0 HE1 PHE A 53 -6.098 -23.041 -11.959 1.00 23.40 H new ATOM 0 HE2 PHE A 53 -6.609 -19.570 -9.536 1.00 74.24 H new ATOM 0 HZ PHE A 53 -5.212 -21.449 -10.302 1.00 51.43 H new ATOM 823 N PRO A 54 -11.728 -19.938 -15.509 1.00 71.12 N ATOM 824 CA PRO A 54 -13.009 -19.982 -16.220 1.00 53.21 C ATOM 825 C PRO A 54 -13.520 -21.406 -16.407 1.00 32.30 C ATOM 826 O PRO A 54 -14.675 -21.618 -16.776 1.00 30.13 O ATOM 827 CB PRO A 54 -12.685 -19.348 -17.575 1.00 41.01 C ATOM 828 CG PRO A 54 -11.225 -19.579 -17.762 1.00 30.04 C ATOM 829 CD PRO A 54 -10.619 -19.528 -16.386 1.00 63.05 C ATOM 0 HA PRO A 54 -13.797 -19.467 -15.671 1.00 53.21 H new ATOM 0 HB2 PRO A 54 -13.264 -19.808 -18.376 1.00 41.01 H new ATOM 0 HB3 PRO A 54 -12.921 -18.284 -17.581 1.00 41.01 H new ATOM 0 HG2 PRO A 54 -11.040 -20.544 -18.235 1.00 30.04 H new ATOM 0 HG3 PRO A 54 -10.789 -18.818 -18.409 1.00 30.04 H new ATOM 0 HD2 PRO A 54 -9.767 -20.201 -16.297 1.00 63.05 H new ATOM 0 HD3 PRO A 54 -10.262 -18.528 -16.141 1.00 63.05 H new ATOM 837 N ALA A 55 -12.653 -22.380 -16.150 1.00 2.33 N ATOM 838 CA ALA A 55 -13.018 -23.784 -16.287 1.00 64.23 C ATOM 839 C ALA A 55 -14.241 -24.119 -15.441 1.00 54.14 C ATOM 840 O ALA A 55 -14.976 -25.062 -15.740 1.00 11.45 O ATOM 841 CB ALA A 55 -11.846 -24.674 -15.900 1.00 31.35 C ATOM 0 H ALA A 55 -11.692 -22.222 -15.846 1.00 2.33 H new ATOM 0 HA ALA A 55 -13.270 -23.968 -17.331 1.00 64.23 H new ATOM 0 HB1 ALA A 55 -12.133 -25.720 -16.007 1.00 31.35 H new ATOM 0 HB2 ALA A 55 -10.998 -24.462 -16.551 1.00 31.35 H new ATOM 0 HB3 ALA A 55 -11.567 -24.478 -14.865 1.00 31.35 H new ATOM 847 N LEU A 56 -14.455 -23.342 -14.385 1.00 60.12 N ATOM 848 CA LEU A 56 -15.590 -23.557 -13.495 1.00 15.43 C ATOM 849 C LEU A 56 -16.475 -22.315 -13.431 1.00 63.41 C ATOM 850 O LEU A 56 -16.239 -21.336 -14.139 1.00 25.03 O ATOM 851 CB LEU A 56 -15.102 -23.921 -12.092 1.00 22.22 C ATOM 852 CG LEU A 56 -14.113 -22.947 -11.451 1.00 50.51 C ATOM 853 CD1 LEU A 56 -14.788 -22.153 -10.343 1.00 24.22 C ATOM 854 CD2 LEU A 56 -12.901 -23.693 -10.913 1.00 61.13 C ATOM 0 H LEU A 56 -13.857 -22.558 -14.124 1.00 60.12 H new ATOM 0 HA LEU A 56 -16.181 -24.382 -13.893 1.00 15.43 H new ATOM 0 HB2 LEU A 56 -15.970 -24.008 -11.439 1.00 22.22 H new ATOM 0 HB3 LEU A 56 -14.635 -24.905 -12.135 1.00 22.22 H new ATOM 0 HG LEU A 56 -13.774 -22.248 -12.216 1.00 50.51 H new ATOM 0 HD11 LEU A 56 -14.069 -21.465 -9.898 1.00 24.22 H new ATOM 0 HD12 LEU A 56 -15.623 -21.588 -10.757 1.00 24.22 H new ATOM 0 HD13 LEU A 56 -15.157 -22.837 -9.578 1.00 24.22 H new ATOM 0 HD21 LEU A 56 -12.208 -22.983 -10.461 1.00 61.13 H new ATOM 0 HD22 LEU A 56 -13.222 -24.415 -10.163 1.00 61.13 H new ATOM 0 HD23 LEU A 56 -12.403 -24.215 -11.730 1.00 61.13 H new ATOM 866 N ARG A 57 -17.492 -22.363 -12.577 1.00 71.14 N ATOM 867 CA ARG A 57 -18.411 -21.242 -12.420 1.00 61.14 C ATOM 868 C ARG A 57 -17.664 -19.983 -11.990 1.00 31.11 C ATOM 869 O ARG A 57 -16.567 -20.042 -11.435 1.00 1.25 O ATOM 870 CB ARG A 57 -19.493 -21.582 -11.394 1.00 72.11 C ATOM 871 CG ARG A 57 -20.602 -22.463 -11.947 1.00 3.10 C ATOM 872 CD ARG A 57 -21.585 -22.869 -10.860 1.00 63.22 C ATOM 873 NE ARG A 57 -22.349 -24.057 -11.230 1.00 30.51 N ATOM 874 CZ ARG A 57 -23.334 -24.557 -10.492 1.00 14.50 C ATOM 875 NH1 ARG A 57 -23.673 -23.973 -9.351 1.00 14.02 N ATOM 876 NH2 ARG A 57 -23.983 -25.641 -10.896 1.00 32.45 N ATOM 0 H ARG A 57 -17.700 -23.166 -11.983 1.00 71.14 H new ATOM 0 HA ARG A 57 -18.882 -21.052 -13.385 1.00 61.14 H new ATOM 0 HB2 ARG A 57 -19.031 -22.085 -10.544 1.00 72.11 H new ATOM 0 HB3 ARG A 57 -19.929 -20.656 -11.018 1.00 72.11 H new ATOM 0 HG2 ARG A 57 -21.131 -21.931 -12.737 1.00 3.10 H new ATOM 0 HG3 ARG A 57 -20.168 -23.355 -12.399 1.00 3.10 H new ATOM 0 HD2 ARG A 57 -21.043 -23.060 -9.934 1.00 63.22 H new ATOM 0 HD3 ARG A 57 -22.270 -22.044 -10.664 1.00 63.22 H new ATOM 0 HE ARG A 57 -22.114 -24.529 -12.103 1.00 30.51 H new ATOM 0 HH11 ARG A 57 -23.177 -23.138 -9.038 1.00 14.02 H new ATOM 0 HH12 ARG A 57 -24.430 -24.358 -8.786 1.00 14.02 H new ATOM 0 HH21 ARG A 57 -23.726 -26.092 -11.774 1.00 32.45 H new ATOM 0 HH22 ARG A 57 -24.739 -26.024 -10.328 1.00 32.45 H new ATOM 890 N PRO A 58 -18.271 -18.816 -12.252 1.00 10.01 N ATOM 891 CA PRO A 58 -17.682 -17.521 -11.900 1.00 44.30 C ATOM 892 C PRO A 58 -17.660 -17.284 -10.394 1.00 11.42 C ATOM 893 O PRO A 58 -16.635 -16.904 -9.830 1.00 24.41 O ATOM 894 CB PRO A 58 -18.606 -16.512 -12.587 1.00 22.21 C ATOM 895 CG PRO A 58 -19.912 -17.218 -12.711 1.00 23.23 C ATOM 896 CD PRO A 58 -19.580 -18.671 -12.911 1.00 63.03 C ATOM 0 HA PRO A 58 -16.641 -17.448 -12.214 1.00 44.30 H new ATOM 0 HB2 PRO A 58 -18.703 -15.600 -11.998 1.00 22.21 H new ATOM 0 HB3 PRO A 58 -18.219 -16.221 -13.564 1.00 22.21 H new ATOM 0 HG2 PRO A 58 -20.519 -17.076 -11.817 1.00 23.23 H new ATOM 0 HG3 PRO A 58 -20.487 -16.830 -13.552 1.00 23.23 H new ATOM 0 HD2 PRO A 58 -20.331 -19.320 -12.461 1.00 63.03 H new ATOM 0 HD3 PRO A 58 -19.528 -18.929 -13.969 1.00 63.03 H new ATOM 904 N GLY A 59 -18.800 -17.510 -9.747 1.00 64.22 N ATOM 905 CA GLY A 59 -18.889 -17.316 -8.312 1.00 32.02 C ATOM 906 C GLY A 59 -19.342 -18.567 -7.585 1.00 3.23 C ATOM 907 O GLY A 59 -19.735 -18.509 -6.420 1.00 42.54 O ATOM 0 H GLY A 59 -19.663 -17.824 -10.191 1.00 64.22 H new ATOM 0 HA2 GLY A 59 -17.916 -17.009 -7.929 1.00 32.02 H new ATOM 0 HA3 GLY A 59 -19.585 -16.504 -8.101 1.00 32.02 H new ATOM 911 N GLY A 60 -19.288 -19.703 -8.274 1.00 3.41 N ATOM 912 CA GLY A 60 -19.700 -20.957 -7.671 1.00 0.51 C ATOM 913 C GLY A 60 -18.522 -21.807 -7.238 1.00 50.24 C ATOM 914 O GLY A 60 -18.410 -22.969 -7.628 1.00 63.32 O ATOM 0 H GLY A 60 -18.966 -19.777 -9.239 1.00 3.41 H new ATOM 0 HA2 GLY A 60 -20.332 -20.751 -6.807 1.00 0.51 H new ATOM 0 HA3 GLY A 60 -20.306 -21.517 -8.383 1.00 0.51 H new ATOM 918 N PHE A 61 -17.640 -21.226 -6.431 1.00 60.45 N ATOM 919 CA PHE A 61 -16.463 -21.938 -5.948 1.00 4.13 C ATOM 920 C PHE A 61 -16.060 -21.444 -4.561 1.00 52.12 C ATOM 921 O PHE A 61 -16.371 -20.316 -4.179 1.00 71.20 O ATOM 922 CB PHE A 61 -15.297 -21.760 -6.923 1.00 21.52 C ATOM 923 CG PHE A 61 -14.639 -20.413 -6.832 1.00 72.21 C ATOM 924 CD1 PHE A 61 -15.253 -19.291 -7.364 1.00 52.30 C ATOM 925 CD2 PHE A 61 -13.407 -20.269 -6.215 1.00 33.14 C ATOM 926 CE1 PHE A 61 -14.650 -18.050 -7.283 1.00 23.04 C ATOM 927 CE2 PHE A 61 -12.799 -19.031 -6.130 1.00 11.32 C ATOM 928 CZ PHE A 61 -13.422 -17.920 -6.664 1.00 2.44 C ATOM 0 H PHE A 61 -17.718 -20.265 -6.098 1.00 60.45 H new ATOM 0 HA PHE A 61 -16.712 -22.997 -5.880 1.00 4.13 H new ATOM 0 HB2 PHE A 61 -14.553 -22.533 -6.731 1.00 21.52 H new ATOM 0 HB3 PHE A 61 -15.658 -21.911 -7.940 1.00 21.52 H new ATOM 0 HD1 PHE A 61 -16.214 -19.387 -7.848 1.00 52.30 H new ATOM 0 HD2 PHE A 61 -12.916 -21.135 -5.795 1.00 33.14 H new ATOM 0 HE1 PHE A 61 -15.138 -17.183 -7.703 1.00 23.04 H new ATOM 0 HE2 PHE A 61 -11.838 -18.932 -5.647 1.00 11.32 H new ATOM 0 HZ PHE A 61 -12.950 -16.951 -6.598 1.00 2.44 H new ATOM 938 N GLN A 62 -15.368 -22.297 -3.814 1.00 24.14 N ATOM 939 CA GLN A 62 -14.924 -21.948 -2.469 1.00 62.12 C ATOM 940 C GLN A 62 -13.422 -22.165 -2.318 1.00 43.34 C ATOM 941 O GLN A 62 -12.897 -23.216 -2.683 1.00 21.54 O ATOM 942 CB GLN A 62 -15.678 -22.778 -1.429 1.00 22.12 C ATOM 943 CG GLN A 62 -16.795 -22.015 -0.735 1.00 61.33 C ATOM 944 CD GLN A 62 -16.319 -20.714 -0.121 1.00 1.13 C ATOM 945 OE1 GLN A 62 -16.969 -19.677 -0.254 1.00 11.32 O ATOM 946 NE2 GLN A 62 -15.178 -20.761 0.558 1.00 72.55 N ATOM 0 H GLN A 62 -15.102 -23.234 -4.116 1.00 24.14 H new ATOM 0 HA GLN A 62 -15.138 -20.892 -2.306 1.00 62.12 H new ATOM 0 HB2 GLN A 62 -16.098 -23.659 -1.915 1.00 22.12 H new ATOM 0 HB3 GLN A 62 -14.972 -23.134 -0.679 1.00 22.12 H new ATOM 0 HG2 GLN A 62 -17.587 -21.805 -1.454 1.00 61.33 H new ATOM 0 HG3 GLN A 62 -17.229 -22.642 0.044 1.00 61.33 H new ATOM 0 HE21 GLN A 62 -14.671 -21.642 0.643 1.00 72.55 H new ATOM 0 HE22 GLN A 62 -14.809 -19.916 0.994 1.00 72.55 H new ATOM 955 N ALA A 63 -12.735 -21.162 -1.779 1.00 75.25 N ATOM 956 CA ALA A 63 -11.294 -21.244 -1.579 1.00 70.01 C ATOM 957 C ALA A 63 -10.962 -21.707 -0.165 1.00 2.55 C ATOM 958 O ALA A 63 -11.413 -21.113 0.816 1.00 72.24 O ATOM 959 CB ALA A 63 -10.645 -19.898 -1.862 1.00 44.44 C ATOM 0 H ALA A 63 -13.154 -20.284 -1.473 1.00 75.25 H new ATOM 0 HA ALA A 63 -10.896 -21.981 -2.277 1.00 70.01 H new ATOM 0 HB1 ALA A 63 -9.568 -19.974 -1.709 1.00 44.44 H new ATOM 0 HB2 ALA A 63 -10.845 -19.607 -2.893 1.00 44.44 H new ATOM 0 HB3 ALA A 63 -11.056 -19.147 -1.187 1.00 44.44 H new ATOM 965 N HIS A 64 -10.170 -22.770 -0.065 1.00 54.01 N ATOM 966 CA HIS A 64 -9.778 -23.312 1.231 1.00 62.32 C ATOM 967 C HIS A 64 -8.343 -22.921 1.571 1.00 10.15 C ATOM 968 O HIS A 64 -7.454 -22.983 0.722 1.00 41.20 O ATOM 969 CB HIS A 64 -9.918 -24.835 1.234 1.00 41.22 C ATOM 970 CG HIS A 64 -11.321 -25.308 1.007 1.00 42.44 C ATOM 971 ND1 HIS A 64 -11.695 -26.631 1.110 1.00 50.22 N ATOM 972 CD2 HIS A 64 -12.443 -24.625 0.681 1.00 14.12 C ATOM 973 CE1 HIS A 64 -12.987 -26.742 0.856 1.00 3.31 C ATOM 974 NE2 HIS A 64 -13.465 -25.539 0.594 1.00 43.35 N ATOM 0 H HIS A 64 -9.787 -23.273 -0.866 1.00 54.01 H new ATOM 0 HA HIS A 64 -10.440 -22.892 1.988 1.00 62.32 H new ATOM 0 HB2 HIS A 64 -9.273 -25.252 0.461 1.00 41.22 H new ATOM 0 HB3 HIS A 64 -9.563 -25.222 2.189 1.00 41.22 H new ATOM 0 HD2 HIS A 64 -12.520 -23.560 0.519 1.00 14.12 H new ATOM 0 HE1 HIS A 64 -13.555 -27.660 0.862 1.00 3.31 H new ATOM 0 HE2 HIS A 64 -14.435 -25.324 0.364 1.00 43.35 H new ATOM 982 N TYR A 65 -8.125 -22.518 2.818 1.00 12.32 N ATOM 983 CA TYR A 65 -6.799 -22.113 3.270 1.00 72.20 C ATOM 984 C TYR A 65 -6.312 -23.012 4.402 1.00 1.25 C ATOM 985 O TYR A 65 -7.073 -23.360 5.305 1.00 73.21 O ATOM 986 CB TYR A 65 -6.818 -20.655 3.733 1.00 61.43 C ATOM 987 CG TYR A 65 -7.461 -20.458 5.087 1.00 73.13 C ATOM 988 CD1 TYR A 65 -8.832 -20.266 5.205 1.00 31.23 C ATOM 989 CD2 TYR A 65 -6.698 -20.465 6.248 1.00 41.42 C ATOM 990 CE1 TYR A 65 -9.424 -20.085 6.440 1.00 2.23 C ATOM 991 CE2 TYR A 65 -7.281 -20.285 7.487 1.00 32.42 C ATOM 992 CZ TYR A 65 -8.644 -20.095 7.578 1.00 34.42 C ATOM 993 OH TYR A 65 -9.230 -19.916 8.810 1.00 32.54 O ATOM 0 H TYR A 65 -8.850 -22.463 3.534 1.00 12.32 H new ATOM 0 HA TYR A 65 -6.111 -22.211 2.431 1.00 72.20 H new ATOM 0 HB2 TYR A 65 -5.795 -20.280 3.768 1.00 61.43 H new ATOM 0 HB3 TYR A 65 -7.352 -20.055 2.996 1.00 61.43 H new ATOM 0 HD1 TYR A 65 -9.445 -20.258 4.316 1.00 31.23 H new ATOM 0 HD2 TYR A 65 -5.630 -20.614 6.180 1.00 41.42 H new ATOM 0 HE1 TYR A 65 -10.491 -19.937 6.514 1.00 2.23 H new ATOM 0 HE2 TYR A 65 -6.673 -20.293 8.380 1.00 32.42 H new ATOM 0 HH TYR A 65 -8.542 -19.951 9.507 1.00 32.54 H new ATOM 1003 N ARG A 66 -5.037 -23.383 4.348 1.00 41.33 N ATOM 1004 CA ARG A 66 -4.446 -24.241 5.368 1.00 74.05 C ATOM 1005 C ARG A 66 -4.259 -23.480 6.677 1.00 40.13 C ATOM 1006 O ARG A 66 -3.644 -22.414 6.704 1.00 21.41 O ATOM 1007 CB ARG A 66 -3.102 -24.789 4.887 1.00 65.31 C ATOM 1008 CG ARG A 66 -3.221 -26.064 4.067 1.00 12.24 C ATOM 1009 CD ARG A 66 -3.425 -27.281 4.956 1.00 4.45 C ATOM 1010 NE ARG A 66 -2.892 -28.497 4.349 1.00 31.42 N ATOM 1011 CZ ARG A 66 -1.604 -28.822 4.362 1.00 51.13 C ATOM 1012 NH1 ARG A 66 -0.722 -28.025 4.948 1.00 43.53 N ATOM 1013 NH2 ARG A 66 -1.196 -29.947 3.788 1.00 54.44 N ATOM 0 H ARG A 66 -4.393 -23.103 3.608 1.00 41.33 H new ATOM 0 HA ARG A 66 -5.127 -25.073 5.546 1.00 74.05 H new ATOM 0 HB2 ARG A 66 -2.602 -24.028 4.288 1.00 65.31 H new ATOM 0 HB3 ARG A 66 -2.467 -24.982 5.752 1.00 65.31 H new ATOM 0 HG2 ARG A 66 -4.057 -25.975 3.373 1.00 12.24 H new ATOM 0 HG3 ARG A 66 -2.321 -26.197 3.467 1.00 12.24 H new ATOM 0 HD2 ARG A 66 -2.940 -27.113 5.918 1.00 4.45 H new ATOM 0 HD3 ARG A 66 -4.489 -27.411 5.154 1.00 4.45 H new ATOM 0 HE ARG A 66 -3.545 -29.132 3.890 1.00 31.42 H new ATOM 0 HH11 ARG A 66 -1.032 -27.160 5.390 1.00 43.53 H new ATOM 0 HH12 ARG A 66 0.266 -28.277 4.957 1.00 43.53 H new ATOM 0 HH21 ARG A 66 -1.872 -30.563 3.336 1.00 54.44 H new ATOM 0 HH22 ARG A 66 -0.207 -30.195 3.799 1.00 54.44 H new ATOM 1027 N ALA A 67 -4.794 -24.035 7.759 1.00 11.54 N ATOM 1028 CA ALA A 67 -4.685 -23.409 9.072 1.00 64.25 C ATOM 1029 C ALA A 67 -3.597 -24.075 9.908 1.00 51.01 C ATOM 1030 O ALA A 67 -2.867 -24.937 9.420 1.00 50.22 O ATOM 1031 CB ALA A 67 -6.021 -23.467 9.797 1.00 62.11 C ATOM 0 H ALA A 67 -5.307 -24.916 7.753 1.00 11.54 H new ATOM 0 HA ALA A 67 -4.408 -22.365 8.928 1.00 64.25 H new ATOM 0 HB1 ALA A 67 -5.925 -22.996 10.775 1.00 62.11 H new ATOM 0 HB2 ALA A 67 -6.775 -22.939 9.213 1.00 62.11 H new ATOM 0 HB3 ALA A 67 -6.322 -24.507 9.923 1.00 62.11 H new ATOM 1037 N GLU A 68 -3.495 -23.669 11.170 1.00 52.34 N ATOM 1038 CA GLU A 68 -2.495 -24.226 12.072 1.00 1.15 C ATOM 1039 C GLU A 68 -2.580 -25.749 12.105 1.00 65.23 C ATOM 1040 O GLU A 68 -1.561 -26.439 12.049 1.00 35.34 O ATOM 1041 CB GLU A 68 -2.680 -23.664 13.484 1.00 42.04 C ATOM 1042 CG GLU A 68 -4.092 -23.821 14.021 1.00 33.11 C ATOM 1043 CD GLU A 68 -4.337 -22.994 15.268 1.00 33.12 C ATOM 1044 OE1 GLU A 68 -3.778 -23.342 16.329 1.00 32.14 O ATOM 1045 OE2 GLU A 68 -5.088 -22.000 15.184 1.00 42.35 O ATOM 0 H GLU A 68 -4.092 -22.957 11.590 1.00 52.34 H new ATOM 0 HA GLU A 68 -1.510 -23.942 11.701 1.00 1.15 H new ATOM 0 HB2 GLU A 68 -1.986 -24.165 14.159 1.00 42.04 H new ATOM 0 HB3 GLU A 68 -2.416 -22.606 13.482 1.00 42.04 H new ATOM 0 HG2 GLU A 68 -4.805 -23.529 13.250 1.00 33.11 H new ATOM 0 HG3 GLU A 68 -4.277 -24.872 14.244 1.00 33.11 H new ATOM 1052 N ARG A 69 -3.800 -26.266 12.195 1.00 34.41 N ATOM 1053 CA ARG A 69 -4.019 -27.707 12.237 1.00 63.34 C ATOM 1054 C ARG A 69 -3.593 -28.360 10.924 1.00 14.44 C ATOM 1055 O ARG A 69 -3.243 -29.538 10.890 1.00 24.24 O ATOM 1056 CB ARG A 69 -5.491 -28.014 12.517 1.00 0.33 C ATOM 1057 CG ARG A 69 -6.079 -27.190 13.652 1.00 61.34 C ATOM 1058 CD ARG A 69 -7.408 -27.760 14.123 1.00 41.03 C ATOM 1059 NE ARG A 69 -8.412 -27.754 13.063 1.00 73.55 N ATOM 1060 CZ ARG A 69 -9.689 -28.064 13.258 1.00 12.13 C ATOM 1061 NH1 ARG A 69 -10.115 -28.401 14.468 1.00 71.22 N ATOM 1062 NH2 ARG A 69 -10.543 -28.036 12.243 1.00 12.21 N ATOM 0 H ARG A 69 -4.653 -25.709 12.240 1.00 34.41 H new ATOM 0 HA ARG A 69 -3.410 -28.118 13.042 1.00 63.34 H new ATOM 0 HB2 ARG A 69 -6.070 -27.834 11.611 1.00 0.33 H new ATOM 0 HB3 ARG A 69 -5.594 -29.072 12.756 1.00 0.33 H new ATOM 0 HG2 ARG A 69 -5.377 -27.164 14.486 1.00 61.34 H new ATOM 0 HG3 ARG A 69 -6.220 -26.161 13.321 1.00 61.34 H new ATOM 0 HD2 ARG A 69 -7.260 -28.780 14.476 1.00 41.03 H new ATOM 0 HD3 ARG A 69 -7.772 -27.179 14.970 1.00 41.03 H new ATOM 0 HE ARG A 69 -8.117 -27.498 12.121 1.00 73.55 H new ATOM 0 HH11 ARG A 69 -9.462 -28.422 15.251 1.00 71.22 H new ATOM 0 HH12 ARG A 69 -11.096 -28.639 14.615 1.00 71.22 H new ATOM 0 HH21 ARG A 69 -10.219 -27.776 11.311 1.00 12.21 H new ATOM 0 HH22 ARG A 69 -11.523 -28.274 12.394 1.00 12.21 H new ATOM 1076 N GLY A 70 -3.628 -27.584 9.845 1.00 12.20 N ATOM 1077 CA GLY A 70 -3.245 -28.103 8.545 1.00 21.44 C ATOM 1078 C GLY A 70 -4.430 -28.625 7.757 1.00 41.42 C ATOM 1079 O GLY A 70 -4.265 -29.402 6.817 1.00 70.50 O ATOM 0 H GLY A 70 -3.915 -26.605 9.848 1.00 12.20 H new ATOM 0 HA2 GLY A 70 -2.751 -27.316 7.974 1.00 21.44 H new ATOM 0 HA3 GLY A 70 -2.519 -28.905 8.677 1.00 21.44 H new ATOM 1083 N ASP A 71 -5.628 -28.197 8.140 1.00 3.03 N ATOM 1084 CA ASP A 71 -6.846 -28.626 7.463 1.00 43.02 C ATOM 1085 C ASP A 71 -7.325 -27.561 6.481 1.00 34.22 C ATOM 1086 O ASP A 71 -6.789 -26.453 6.440 1.00 53.00 O ATOM 1087 CB ASP A 71 -7.944 -28.928 8.484 1.00 3.50 C ATOM 1088 CG ASP A 71 -7.813 -30.315 9.082 1.00 54.34 C ATOM 1089 OD1 ASP A 71 -6.748 -30.613 9.661 1.00 73.12 O ATOM 1090 OD2 ASP A 71 -8.776 -31.102 8.969 1.00 32.42 O ATOM 0 H ASP A 71 -5.782 -27.553 8.916 1.00 3.03 H new ATOM 0 HA ASP A 71 -6.621 -29.535 6.905 1.00 43.02 H new ATOM 0 HB2 ASP A 71 -7.908 -28.187 9.282 1.00 3.50 H new ATOM 0 HB3 ASP A 71 -8.918 -28.833 8.004 1.00 3.50 H new ATOM 1095 N LEU A 72 -8.337 -27.905 5.692 1.00 50.43 N ATOM 1096 CA LEU A 72 -8.889 -26.979 4.709 1.00 41.42 C ATOM 1097 C LEU A 72 -10.091 -26.233 5.278 1.00 14.14 C ATOM 1098 O LEU A 72 -11.070 -26.846 5.705 1.00 53.33 O ATOM 1099 CB LEU A 72 -9.295 -27.732 3.441 1.00 32.11 C ATOM 1100 CG LEU A 72 -8.149 -28.217 2.552 1.00 35.33 C ATOM 1101 CD1 LEU A 72 -8.692 -28.933 1.325 1.00 32.33 C ATOM 1102 CD2 LEU A 72 -7.262 -27.051 2.143 1.00 62.24 C ATOM 0 H LEU A 72 -8.792 -28.818 5.714 1.00 50.43 H new ATOM 0 HA LEU A 72 -8.117 -26.250 4.460 1.00 41.42 H new ATOM 0 HB2 LEU A 72 -9.893 -28.596 3.731 1.00 32.11 H new ATOM 0 HB3 LEU A 72 -9.939 -27.083 2.848 1.00 32.11 H new ATOM 0 HG LEU A 72 -7.546 -28.924 3.122 1.00 35.33 H new ATOM 0 HD11 LEU A 72 -7.862 -29.271 0.704 1.00 32.33 H new ATOM 0 HD12 LEU A 72 -9.285 -29.793 1.638 1.00 32.33 H new ATOM 0 HD13 LEU A 72 -9.319 -28.249 0.752 1.00 32.33 H new ATOM 0 HD21 LEU A 72 -6.452 -27.414 1.511 1.00 62.24 H new ATOM 0 HD22 LEU A 72 -7.853 -26.320 1.591 1.00 62.24 H new ATOM 0 HD23 LEU A 72 -6.844 -26.582 3.034 1.00 62.24 H new ATOM 1114 N VAL A 73 -10.012 -24.906 5.280 1.00 2.04 N ATOM 1115 CA VAL A 73 -11.095 -24.076 5.794 1.00 3.11 C ATOM 1116 C VAL A 73 -11.605 -23.115 4.726 1.00 72.41 C ATOM 1117 O VAL A 73 -10.988 -22.086 4.456 1.00 4.34 O ATOM 1118 CB VAL A 73 -10.646 -23.266 7.025 1.00 43.11 C ATOM 1119 CG1 VAL A 73 -11.776 -22.377 7.521 1.00 71.21 C ATOM 1120 CG2 VAL A 73 -10.165 -24.196 8.128 1.00 63.50 C ATOM 0 H VAL A 73 -9.209 -24.383 4.931 1.00 2.04 H new ATOM 0 HA VAL A 73 -11.900 -24.751 6.086 1.00 3.11 H new ATOM 0 HB VAL A 73 -9.814 -22.625 6.733 1.00 43.11 H new ATOM 0 HG11 VAL A 73 -11.440 -21.813 8.391 1.00 71.21 H new ATOM 0 HG12 VAL A 73 -12.069 -21.686 6.731 1.00 71.21 H new ATOM 0 HG13 VAL A 73 -12.630 -22.995 7.797 1.00 71.21 H new ATOM 0 HG21 VAL A 73 -9.852 -23.607 8.990 1.00 63.50 H new ATOM 0 HG22 VAL A 73 -10.976 -24.864 8.420 1.00 63.50 H new ATOM 0 HG23 VAL A 73 -9.323 -24.785 7.766 1.00 63.50 H new ATOM 1130 N ALA A 74 -12.737 -23.460 4.121 1.00 52.43 N ATOM 1131 CA ALA A 74 -13.333 -22.627 3.083 1.00 3.33 C ATOM 1132 C ALA A 74 -13.596 -21.215 3.597 1.00 72.25 C ATOM 1133 O ALA A 74 -14.529 -20.988 4.367 1.00 33.11 O ATOM 1134 CB ALA A 74 -14.622 -23.256 2.577 1.00 53.30 C ATOM 0 H ALA A 74 -13.260 -24.310 4.332 1.00 52.43 H new ATOM 0 HA ALA A 74 -12.627 -22.559 2.256 1.00 3.33 H new ATOM 0 HB1 ALA A 74 -15.056 -22.623 1.803 1.00 53.30 H new ATOM 0 HB2 ALA A 74 -14.408 -24.241 2.163 1.00 53.30 H new ATOM 0 HB3 ALA A 74 -15.327 -23.355 3.402 1.00 53.30 H new ATOM 1140 N PHE A 75 -12.768 -20.270 3.165 1.00 11.53 N ATOM 1141 CA PHE A 75 -12.911 -18.880 3.583 1.00 40.31 C ATOM 1142 C PHE A 75 -13.715 -18.084 2.559 1.00 35.11 C ATOM 1143 O PHE A 75 -13.572 -18.281 1.352 1.00 12.15 O ATOM 1144 CB PHE A 75 -11.535 -18.239 3.776 1.00 21.13 C ATOM 1145 CG PHE A 75 -10.831 -17.930 2.486 1.00 62.40 C ATOM 1146 CD1 PHE A 75 -11.031 -16.719 1.845 1.00 41.42 C ATOM 1147 CD2 PHE A 75 -9.969 -18.852 1.914 1.00 30.50 C ATOM 1148 CE1 PHE A 75 -10.384 -16.431 0.657 1.00 32.25 C ATOM 1149 CE2 PHE A 75 -9.319 -18.571 0.727 1.00 13.52 C ATOM 1150 CZ PHE A 75 -9.528 -17.359 0.098 1.00 40.04 C ATOM 0 H PHE A 75 -11.991 -20.441 2.526 1.00 11.53 H new ATOM 0 HA PHE A 75 -13.448 -18.866 4.532 1.00 40.31 H new ATOM 0 HB2 PHE A 75 -11.649 -17.318 4.348 1.00 21.13 H new ATOM 0 HB3 PHE A 75 -10.912 -18.908 4.370 1.00 21.13 H new ATOM 0 HD1 PHE A 75 -11.700 -15.990 2.278 1.00 41.42 H new ATOM 0 HD2 PHE A 75 -9.803 -19.801 2.401 1.00 30.50 H new ATOM 0 HE1 PHE A 75 -10.548 -15.482 0.168 1.00 32.25 H new ATOM 0 HE2 PHE A 75 -8.649 -19.298 0.292 1.00 13.52 H new ATOM 0 HZ PHE A 75 -9.022 -17.138 -0.830 1.00 40.04 H new ATOM 1160 N SER A 76 -14.562 -17.185 3.050 1.00 35.12 N ATOM 1161 CA SER A 76 -15.394 -16.362 2.179 1.00 23.33 C ATOM 1162 C SER A 76 -15.736 -15.035 2.850 1.00 32.51 C ATOM 1163 O SER A 76 -16.820 -14.487 2.649 1.00 23.10 O ATOM 1164 CB SER A 76 -16.678 -17.108 1.812 1.00 53.41 C ATOM 1165 OG SER A 76 -17.176 -17.842 2.917 1.00 1.43 O ATOM 0 H SER A 76 -14.690 -17.008 4.046 1.00 35.12 H new ATOM 0 HA SER A 76 -14.831 -16.154 1.269 1.00 23.33 H new ATOM 0 HB2 SER A 76 -17.432 -16.396 1.475 1.00 53.41 H new ATOM 0 HB3 SER A 76 -16.484 -17.785 0.980 1.00 53.41 H new ATOM 0 HG SER A 76 -17.998 -18.308 2.657 1.00 1.43 H new ATOM 1171 N SER A 77 -14.804 -14.525 3.648 1.00 20.34 N ATOM 1172 CA SER A 77 -15.007 -13.265 4.353 1.00 52.32 C ATOM 1173 C SER A 77 -13.671 -12.631 4.728 1.00 13.41 C ATOM 1174 O SER A 77 -12.703 -13.329 5.028 1.00 44.21 O ATOM 1175 CB SER A 77 -15.849 -13.489 5.610 1.00 14.13 C ATOM 1176 OG SER A 77 -17.176 -13.860 5.276 1.00 3.33 O ATOM 0 H SER A 77 -13.901 -14.965 3.823 1.00 20.34 H new ATOM 0 HA SER A 77 -15.537 -12.585 3.686 1.00 52.32 H new ATOM 0 HB2 SER A 77 -15.394 -14.267 6.222 1.00 14.13 H new ATOM 0 HB3 SER A 77 -15.863 -12.579 6.209 1.00 14.13 H new ATOM 0 HG SER A 77 -17.248 -13.980 4.306 1.00 3.33 H new ATOM 1182 N ASP A 78 -13.628 -11.303 4.709 1.00 21.00 N ATOM 1183 CA ASP A 78 -12.412 -10.573 5.048 1.00 1.10 C ATOM 1184 C ASP A 78 -11.856 -11.036 6.391 1.00 72.40 C ATOM 1185 O ASP A 78 -10.647 -11.195 6.551 1.00 45.21 O ATOM 1186 CB ASP A 78 -12.689 -9.069 5.088 1.00 21.23 C ATOM 1187 CG ASP A 78 -13.646 -8.686 6.200 1.00 21.40 C ATOM 1188 OD1 ASP A 78 -14.814 -9.125 6.154 1.00 21.21 O ATOM 1189 OD2 ASP A 78 -13.227 -7.947 7.116 1.00 70.33 O ATOM 0 H ASP A 78 -14.421 -10.711 4.463 1.00 21.00 H new ATOM 0 HA ASP A 78 -11.669 -10.778 4.278 1.00 1.10 H new ATOM 0 HB2 ASP A 78 -11.749 -8.533 5.221 1.00 21.23 H new ATOM 0 HB3 ASP A 78 -13.104 -8.753 4.131 1.00 21.23 H new ATOM 1194 N GLU A 79 -12.749 -11.251 7.353 1.00 44.13 N ATOM 1195 CA GLU A 79 -12.346 -11.694 8.682 1.00 30.33 C ATOM 1196 C GLU A 79 -11.512 -12.970 8.601 1.00 12.32 C ATOM 1197 O GLU A 79 -10.640 -13.207 9.436 1.00 42.30 O ATOM 1198 CB GLU A 79 -13.577 -11.932 9.559 1.00 10.45 C ATOM 1199 CG GLU A 79 -14.383 -13.156 9.159 1.00 1.11 C ATOM 1200 CD GLU A 79 -15.577 -13.390 10.064 1.00 25.34 C ATOM 1201 OE1 GLU A 79 -15.393 -13.395 11.300 1.00 72.45 O ATOM 1202 OE2 GLU A 79 -16.694 -13.568 9.537 1.00 75.52 O ATOM 0 H GLU A 79 -13.755 -11.126 7.236 1.00 44.13 H new ATOM 0 HA GLU A 79 -11.736 -10.909 9.129 1.00 30.33 H new ATOM 0 HB2 GLU A 79 -13.258 -12.040 10.596 1.00 10.45 H new ATOM 0 HB3 GLU A 79 -14.220 -11.053 9.513 1.00 10.45 H new ATOM 0 HG2 GLU A 79 -14.728 -13.039 8.132 1.00 1.11 H new ATOM 0 HG3 GLU A 79 -13.738 -14.034 9.181 1.00 1.11 H new ATOM 1209 N GLU A 80 -11.789 -13.787 7.590 1.00 64.21 N ATOM 1210 CA GLU A 80 -11.065 -15.039 7.401 1.00 71.02 C ATOM 1211 C GLU A 80 -9.719 -14.793 6.726 1.00 41.34 C ATOM 1212 O GLU A 80 -8.757 -15.530 6.946 1.00 42.31 O ATOM 1213 CB GLU A 80 -11.897 -16.013 6.564 1.00 20.31 C ATOM 1214 CG GLU A 80 -13.049 -16.642 7.329 1.00 34.11 C ATOM 1215 CD GLU A 80 -12.585 -17.438 8.533 1.00 21.40 C ATOM 1216 OE1 GLU A 80 -12.419 -16.837 9.615 1.00 60.13 O ATOM 1217 OE2 GLU A 80 -12.388 -18.664 8.393 1.00 44.31 O ATOM 0 H GLU A 80 -12.508 -13.605 6.890 1.00 64.21 H new ATOM 0 HA GLU A 80 -10.885 -15.476 8.383 1.00 71.02 H new ATOM 0 HB2 GLU A 80 -12.293 -15.486 5.696 1.00 20.31 H new ATOM 0 HB3 GLU A 80 -11.247 -16.803 6.188 1.00 20.31 H new ATOM 0 HG2 GLU A 80 -13.732 -15.859 7.657 1.00 34.11 H new ATOM 0 HG3 GLU A 80 -13.610 -17.295 6.661 1.00 34.11 H new ATOM 1224 N LEU A 81 -9.659 -13.752 5.902 1.00 64.21 N ATOM 1225 CA LEU A 81 -8.431 -13.408 5.193 1.00 10.41 C ATOM 1226 C LEU A 81 -7.392 -12.832 6.151 1.00 75.33 C ATOM 1227 O LEU A 81 -6.245 -13.279 6.182 1.00 33.21 O ATOM 1228 CB LEU A 81 -8.727 -12.402 4.079 1.00 11.34 C ATOM 1229 CG LEU A 81 -9.214 -12.991 2.755 1.00 45.32 C ATOM 1230 CD1 LEU A 81 -8.188 -13.964 2.194 1.00 4.55 C ATOM 1231 CD2 LEU A 81 -10.558 -13.678 2.939 1.00 75.42 C ATOM 0 H LEU A 81 -10.446 -13.132 5.709 1.00 64.21 H new ATOM 0 HA LEU A 81 -8.027 -14.320 4.753 1.00 10.41 H new ATOM 0 HB2 LEU A 81 -9.479 -11.701 4.440 1.00 11.34 H new ATOM 0 HB3 LEU A 81 -7.822 -11.827 3.886 1.00 11.34 H new ATOM 0 HG LEU A 81 -9.340 -12.176 2.042 1.00 45.32 H new ATOM 0 HD11 LEU A 81 -8.552 -14.373 1.252 1.00 4.55 H new ATOM 0 HD12 LEU A 81 -7.247 -13.442 2.023 1.00 4.55 H new ATOM 0 HD13 LEU A 81 -8.029 -14.775 2.905 1.00 4.55 H new ATOM 0 HD21 LEU A 81 -10.889 -14.091 1.986 1.00 75.42 H new ATOM 0 HD22 LEU A 81 -10.459 -14.482 3.668 1.00 75.42 H new ATOM 0 HD23 LEU A 81 -11.291 -12.954 3.295 1.00 75.42 H new ATOM 1243 N THR A 82 -7.803 -11.839 6.933 1.00 5.31 N ATOM 1244 CA THR A 82 -6.909 -11.203 7.893 1.00 43.33 C ATOM 1245 C THR A 82 -6.240 -12.237 8.791 1.00 71.34 C ATOM 1246 O THR A 82 -5.130 -12.026 9.277 1.00 3.40 O ATOM 1247 CB THR A 82 -7.660 -10.186 8.772 1.00 54.40 C ATOM 1248 OG1 THR A 82 -6.727 -9.315 9.420 1.00 0.54 O ATOM 1249 CG2 THR A 82 -8.509 -10.896 9.816 1.00 2.40 C ATOM 0 H THR A 82 -8.749 -11.458 6.921 1.00 5.31 H new ATOM 0 HA THR A 82 -6.147 -10.680 7.316 1.00 43.33 H new ATOM 0 HB THR A 82 -8.317 -9.600 8.130 1.00 54.40 H new ATOM 0 HG1 THR A 82 -7.213 -8.670 9.976 1.00 0.54 H new ATOM 0 HG21 THR A 82 -9.030 -10.157 10.425 1.00 2.40 H new ATOM 0 HG22 THR A 82 -9.238 -11.535 9.318 1.00 2.40 H new ATOM 0 HG23 THR A 82 -7.868 -11.505 10.454 1.00 2.40 H new ATOM 1257 N MET A 83 -6.923 -13.357 9.006 1.00 51.11 N ATOM 1258 CA MET A 83 -6.393 -14.426 9.845 1.00 40.34 C ATOM 1259 C MET A 83 -5.440 -15.316 9.053 1.00 12.02 C ATOM 1260 O MET A 83 -4.469 -15.840 9.598 1.00 41.32 O ATOM 1261 CB MET A 83 -7.535 -15.266 10.420 1.00 40.51 C ATOM 1262 CG MET A 83 -7.249 -15.808 11.811 1.00 74.11 C ATOM 1263 SD MET A 83 -7.831 -14.710 13.118 1.00 71.34 S ATOM 1264 CE MET A 83 -9.544 -15.216 13.247 1.00 34.52 C ATOM 0 H MET A 83 -7.844 -13.548 8.611 1.00 51.11 H new ATOM 0 HA MET A 83 -5.839 -13.970 10.665 1.00 40.34 H new ATOM 0 HB2 MET A 83 -8.440 -14.659 10.454 1.00 40.51 H new ATOM 0 HB3 MET A 83 -7.736 -16.100 9.748 1.00 40.51 H new ATOM 0 HG2 MET A 83 -7.725 -16.782 11.922 1.00 74.11 H new ATOM 0 HG3 MET A 83 -6.176 -15.963 11.923 1.00 74.11 H new ATOM 0 HE1 MET A 83 -10.041 -14.626 14.017 1.00 34.52 H new ATOM 0 HE2 MET A 83 -10.043 -15.058 12.291 1.00 34.52 H new ATOM 0 HE3 MET A 83 -9.592 -16.272 13.512 1.00 34.52 H new ATOM 1274 N ALA A 84 -5.725 -15.483 7.766 1.00 51.11 N ATOM 1275 CA ALA A 84 -4.892 -16.308 6.900 1.00 74.40 C ATOM 1276 C ALA A 84 -3.514 -15.686 6.708 1.00 3.41 C ATOM 1277 O ALA A 84 -2.500 -16.383 6.725 1.00 2.24 O ATOM 1278 CB ALA A 84 -5.572 -16.515 5.555 1.00 53.14 C ATOM 0 H ALA A 84 -6.527 -15.058 7.300 1.00 51.11 H new ATOM 0 HA ALA A 84 -4.760 -17.277 7.381 1.00 74.40 H new ATOM 0 HB1 ALA A 84 -4.939 -17.133 4.918 1.00 53.14 H new ATOM 0 HB2 ALA A 84 -6.531 -17.012 5.705 1.00 53.14 H new ATOM 0 HB3 ALA A 84 -5.735 -15.549 5.077 1.00 53.14 H new ATOM 1284 N MET A 85 -3.484 -14.370 6.524 1.00 13.35 N ATOM 1285 CA MET A 85 -2.229 -13.654 6.330 1.00 40.43 C ATOM 1286 C MET A 85 -1.330 -13.790 7.554 1.00 2.33 C ATOM 1287 O MET A 85 -0.112 -13.632 7.463 1.00 54.32 O ATOM 1288 CB MET A 85 -2.500 -12.175 6.043 1.00 64.41 C ATOM 1289 CG MET A 85 -2.989 -11.910 4.628 1.00 23.43 C ATOM 1290 SD MET A 85 -1.638 -11.615 3.470 1.00 14.34 S ATOM 1291 CE MET A 85 -2.550 -11.302 1.961 1.00 44.44 C ATOM 0 H MET A 85 -4.315 -13.778 6.505 1.00 13.35 H new ATOM 0 HA MET A 85 -1.717 -14.095 5.475 1.00 40.43 H new ATOM 0 HB2 MET A 85 -3.243 -11.806 6.750 1.00 64.41 H new ATOM 0 HB3 MET A 85 -1.586 -11.607 6.215 1.00 64.41 H new ATOM 0 HG2 MET A 85 -3.577 -12.762 4.285 1.00 23.43 H new ATOM 0 HG3 MET A 85 -3.653 -11.046 4.633 1.00 23.43 H new ATOM 0 HE1 MET A 85 -1.851 -11.102 1.149 1.00 44.44 H new ATOM 0 HE2 MET A 85 -3.154 -12.175 1.713 1.00 44.44 H new ATOM 0 HE3 MET A 85 -3.200 -10.439 2.101 1.00 44.44 H new ATOM 1301 N SER A 86 -1.937 -14.083 8.699 1.00 33.25 N ATOM 1302 CA SER A 86 -1.192 -14.236 9.943 1.00 25.32 C ATOM 1303 C SER A 86 -0.338 -15.500 9.912 1.00 23.45 C ATOM 1304 O SER A 86 0.627 -15.630 10.666 1.00 2.42 O ATOM 1305 CB SER A 86 -2.150 -14.283 11.135 1.00 61.42 C ATOM 1306 OG SER A 86 -1.540 -13.757 12.301 1.00 54.34 O ATOM 0 H SER A 86 -2.944 -14.219 8.791 1.00 33.25 H new ATOM 0 HA SER A 86 -0.533 -13.375 10.051 1.00 25.32 H new ATOM 0 HB2 SER A 86 -3.051 -13.714 10.904 1.00 61.42 H new ATOM 0 HB3 SER A 86 -2.460 -15.312 11.316 1.00 61.42 H new ATOM 0 HG SER A 86 -2.173 -13.797 13.048 1.00 54.34 H new ATOM 1312 N TYR A 87 -0.700 -16.430 9.036 1.00 72.12 N ATOM 1313 CA TYR A 87 0.030 -17.686 8.907 1.00 0.44 C ATOM 1314 C TYR A 87 1.231 -17.525 7.980 1.00 1.15 C ATOM 1315 O TYR A 87 2.360 -17.853 8.345 1.00 3.35 O ATOM 1316 CB TYR A 87 -0.893 -18.785 8.379 1.00 41.25 C ATOM 1317 CG TYR A 87 -1.997 -19.163 9.340 1.00 50.22 C ATOM 1318 CD1 TYR A 87 -3.191 -18.453 9.372 1.00 4.50 C ATOM 1319 CD2 TYR A 87 -1.847 -20.231 10.215 1.00 22.34 C ATOM 1320 CE1 TYR A 87 -4.202 -18.794 10.249 1.00 24.02 C ATOM 1321 CE2 TYR A 87 -2.853 -20.581 11.095 1.00 11.11 C ATOM 1322 CZ TYR A 87 -4.028 -19.859 11.109 1.00 53.05 C ATOM 1323 OH TYR A 87 -5.034 -20.203 11.983 1.00 64.22 O ATOM 0 H TYR A 87 -1.495 -16.338 8.404 1.00 72.12 H new ATOM 0 HA TYR A 87 0.392 -17.970 9.895 1.00 0.44 H new ATOM 0 HB2 TYR A 87 -1.338 -18.454 7.440 1.00 41.25 H new ATOM 0 HB3 TYR A 87 -0.298 -19.671 8.156 1.00 41.25 H new ATOM 0 HD1 TYR A 87 -3.331 -17.620 8.699 1.00 4.50 H new ATOM 0 HD2 TYR A 87 -0.928 -20.798 10.207 1.00 22.34 H new ATOM 0 HE1 TYR A 87 -5.123 -18.230 10.262 1.00 24.02 H new ATOM 0 HE2 TYR A 87 -2.720 -21.415 11.768 1.00 11.11 H new ATOM 0 HH TYR A 87 -4.753 -20.975 12.518 1.00 64.22 H new ATOM 1333 N VAL A 88 0.979 -17.017 6.778 1.00 12.13 N ATOM 1334 CA VAL A 88 2.038 -16.810 5.798 1.00 21.10 C ATOM 1335 C VAL A 88 3.036 -15.762 6.280 1.00 74.54 C ATOM 1336 O VAL A 88 2.663 -14.632 6.594 1.00 33.12 O ATOM 1337 CB VAL A 88 1.466 -16.371 4.437 1.00 13.33 C ATOM 1338 CG1 VAL A 88 0.613 -15.121 4.595 1.00 42.11 C ATOM 1339 CG2 VAL A 88 2.588 -16.138 3.438 1.00 44.34 C ATOM 0 H VAL A 88 0.050 -16.741 6.459 1.00 12.13 H new ATOM 0 HA VAL A 88 2.549 -17.765 5.678 1.00 21.10 H new ATOM 0 HB VAL A 88 0.831 -17.170 4.054 1.00 13.33 H new ATOM 0 HG11 VAL A 88 0.217 -14.825 3.623 1.00 42.11 H new ATOM 0 HG12 VAL A 88 -0.213 -15.328 5.276 1.00 42.11 H new ATOM 0 HG13 VAL A 88 1.223 -14.313 4.999 1.00 42.11 H new ATOM 0 HG21 VAL A 88 2.166 -15.828 2.482 1.00 44.34 H new ATOM 0 HG22 VAL A 88 3.251 -15.358 3.811 1.00 44.34 H new ATOM 0 HG23 VAL A 88 3.153 -17.061 3.303 1.00 44.34 H new ATOM 1349 N LYS A 89 4.307 -16.145 6.335 1.00 72.15 N ATOM 1350 CA LYS A 89 5.361 -15.239 6.776 1.00 74.31 C ATOM 1351 C LYS A 89 6.038 -14.571 5.584 1.00 42.11 C ATOM 1352 O LYS A 89 6.690 -13.536 5.728 1.00 31.51 O ATOM 1353 CB LYS A 89 6.398 -15.997 7.607 1.00 63.42 C ATOM 1354 CG LYS A 89 7.249 -15.097 8.486 1.00 32.32 C ATOM 1355 CD LYS A 89 6.589 -14.848 9.832 1.00 1.21 C ATOM 1356 CE LYS A 89 6.671 -16.074 10.729 1.00 42.52 C ATOM 1357 NZ LYS A 89 6.585 -15.712 12.171 1.00 61.50 N ATOM 0 H LYS A 89 4.632 -17.077 6.079 1.00 72.15 H new ATOM 0 HA LYS A 89 4.906 -14.464 7.393 1.00 74.31 H new ATOM 0 HB2 LYS A 89 5.886 -16.725 8.236 1.00 63.42 H new ATOM 0 HB3 LYS A 89 7.050 -16.557 6.936 1.00 63.42 H new ATOM 0 HG2 LYS A 89 8.227 -15.554 8.638 1.00 32.32 H new ATOM 0 HG3 LYS A 89 7.417 -14.146 7.980 1.00 32.32 H new ATOM 0 HD2 LYS A 89 7.071 -14.003 10.324 1.00 1.21 H new ATOM 0 HD3 LYS A 89 5.544 -14.575 9.681 1.00 1.21 H new ATOM 0 HE2 LYS A 89 5.864 -16.762 10.478 1.00 42.52 H new ATOM 0 HE3 LYS A 89 7.607 -16.599 10.542 1.00 42.52 H new ATOM 0 HZ1 LYS A 89 6.645 -16.574 12.750 1.00 61.50 H new ATOM 0 HZ2 LYS A 89 7.370 -15.075 12.417 1.00 61.50 H new ATOM 0 HZ3 LYS A 89 5.680 -15.233 12.355 1.00 61.50 H new ATOM 1371 N ASP A 90 5.879 -15.167 4.408 1.00 72.52 N ATOM 1372 CA ASP A 90 6.473 -14.628 3.190 1.00 22.21 C ATOM 1373 C ASP A 90 5.462 -13.786 2.419 1.00 51.13 C ATOM 1374 O ASP A 90 4.386 -13.470 2.927 1.00 0.10 O ATOM 1375 CB ASP A 90 6.992 -15.762 2.305 1.00 71.32 C ATOM 1376 CG ASP A 90 7.607 -16.890 3.110 1.00 75.42 C ATOM 1377 OD1 ASP A 90 8.468 -16.606 3.969 1.00 74.12 O ATOM 1378 OD2 ASP A 90 7.226 -18.057 2.882 1.00 71.45 O ATOM 0 H ASP A 90 5.343 -16.024 4.272 1.00 72.52 H new ATOM 0 HA ASP A 90 7.309 -13.989 3.475 1.00 22.21 H new ATOM 0 HB2 ASP A 90 6.172 -16.154 1.704 1.00 71.32 H new ATOM 0 HB3 ASP A 90 7.735 -15.367 1.612 1.00 71.32 H new ATOM 1383 N ASP A 91 5.815 -13.425 1.190 1.00 2.11 N ATOM 1384 CA ASP A 91 4.939 -12.619 0.348 1.00 33.01 C ATOM 1385 C ASP A 91 4.163 -13.499 -0.628 1.00 0.45 C ATOM 1386 O ASP A 91 3.725 -13.036 -1.681 1.00 75.32 O ATOM 1387 CB ASP A 91 5.752 -11.577 -0.421 1.00 50.12 C ATOM 1388 CG ASP A 91 6.433 -12.161 -1.643 1.00 64.00 C ATOM 1389 OD1 ASP A 91 6.947 -13.295 -1.550 1.00 31.31 O ATOM 1390 OD2 ASP A 91 6.454 -11.483 -2.692 1.00 61.41 O ATOM 0 H ASP A 91 6.702 -13.678 0.755 1.00 2.11 H new ATOM 0 HA ASP A 91 4.226 -12.107 0.994 1.00 33.01 H new ATOM 0 HB2 ASP A 91 5.096 -10.763 -0.729 1.00 50.12 H new ATOM 0 HB3 ASP A 91 6.505 -11.147 0.240 1.00 50.12 H new ATOM 1395 N ILE A 92 3.999 -14.768 -0.270 1.00 12.32 N ATOM 1396 CA ILE A 92 3.276 -15.711 -1.114 1.00 23.32 C ATOM 1397 C ILE A 92 2.121 -16.355 -0.355 1.00 11.24 C ATOM 1398 O ILE A 92 2.331 -17.085 0.614 1.00 73.40 O ATOM 1399 CB ILE A 92 4.206 -16.818 -1.645 1.00 4.00 C ATOM 1400 CG1 ILE A 92 5.413 -16.202 -2.356 1.00 60.44 C ATOM 1401 CG2 ILE A 92 3.446 -17.743 -2.584 1.00 25.24 C ATOM 1402 CD1 ILE A 92 6.383 -17.229 -2.899 1.00 1.44 C ATOM 0 H ILE A 92 4.357 -15.167 0.598 1.00 12.32 H new ATOM 0 HA ILE A 92 2.882 -15.142 -1.956 1.00 23.32 H new ATOM 0 HB ILE A 92 4.566 -17.406 -0.801 1.00 4.00 H new ATOM 0 HG12 ILE A 92 5.061 -15.577 -3.177 1.00 60.44 H new ATOM 0 HG13 ILE A 92 5.940 -15.548 -1.661 1.00 60.44 H new ATOM 0 HG21 ILE A 92 4.117 -18.520 -2.951 1.00 25.24 H new ATOM 0 HG22 ILE A 92 2.616 -18.203 -2.048 1.00 25.24 H new ATOM 0 HG23 ILE A 92 3.060 -17.169 -3.427 1.00 25.24 H new ATOM 0 HD11 ILE A 92 7.213 -16.721 -3.390 1.00 1.44 H new ATOM 0 HD12 ILE A 92 6.764 -17.839 -2.080 1.00 1.44 H new ATOM 0 HD13 ILE A 92 5.871 -17.868 -3.619 1.00 1.44 H new ATOM 1414 N PHE A 93 0.900 -16.080 -0.802 1.00 42.01 N ATOM 1415 CA PHE A 93 -0.290 -16.633 -0.166 1.00 2.23 C ATOM 1416 C PHE A 93 -0.856 -17.790 -0.984 1.00 13.34 C ATOM 1417 O PHE A 93 -1.423 -17.586 -2.057 1.00 52.22 O ATOM 1418 CB PHE A 93 -1.353 -15.546 0.006 1.00 33.35 C ATOM 1419 CG PHE A 93 -2.584 -16.020 0.726 1.00 63.44 C ATOM 1420 CD1 PHE A 93 -2.479 -16.747 1.901 1.00 64.02 C ATOM 1421 CD2 PHE A 93 -3.845 -15.739 0.227 1.00 74.21 C ATOM 1422 CE1 PHE A 93 -3.609 -17.185 2.564 1.00 72.21 C ATOM 1423 CE2 PHE A 93 -4.980 -16.174 0.886 1.00 22.30 C ATOM 1424 CZ PHE A 93 -4.861 -16.897 2.057 1.00 73.43 C ATOM 0 H PHE A 93 0.709 -15.477 -1.602 1.00 42.01 H new ATOM 0 HA PHE A 93 -0.005 -17.011 0.816 1.00 2.23 H new ATOM 0 HB2 PHE A 93 -0.920 -14.709 0.555 1.00 33.35 H new ATOM 0 HB3 PHE A 93 -1.639 -15.169 -0.976 1.00 33.35 H new ATOM 0 HD1 PHE A 93 -1.503 -16.974 2.303 1.00 64.02 H new ATOM 0 HD2 PHE A 93 -3.943 -15.173 -0.688 1.00 74.21 H new ATOM 0 HE1 PHE A 93 -3.513 -17.752 3.478 1.00 72.21 H new ATOM 0 HE2 PHE A 93 -5.958 -15.949 0.486 1.00 22.30 H new ATOM 0 HZ PHE A 93 -5.746 -17.237 2.575 1.00 73.43 H new ATOM 1434 N ARG A 94 -0.698 -19.004 -0.468 1.00 22.30 N ATOM 1435 CA ARG A 94 -1.191 -20.194 -1.150 1.00 73.44 C ATOM 1436 C ARG A 94 -2.605 -20.538 -0.690 1.00 23.42 C ATOM 1437 O ARG A 94 -2.949 -20.356 0.478 1.00 10.33 O ATOM 1438 CB ARG A 94 -0.258 -21.379 -0.895 1.00 4.12 C ATOM 1439 CG ARG A 94 1.038 -21.315 -1.687 1.00 2.02 C ATOM 1440 CD ARG A 94 2.250 -21.277 -0.769 1.00 44.35 C ATOM 1441 NE ARG A 94 2.234 -22.365 0.205 1.00 43.35 N ATOM 1442 CZ ARG A 94 2.628 -23.603 -0.071 1.00 21.25 C ATOM 1443 NH1 ARG A 94 3.067 -23.909 -1.284 1.00 11.22 N ATOM 1444 NH2 ARG A 94 2.584 -24.539 0.869 1.00 11.13 N ATOM 0 H ARG A 94 -0.232 -19.189 0.420 1.00 22.30 H new ATOM 0 HA ARG A 94 -1.216 -19.984 -2.219 1.00 73.44 H new ATOM 0 HB2 ARG A 94 -0.022 -21.423 0.168 1.00 4.12 H new ATOM 0 HB3 ARG A 94 -0.781 -22.302 -1.144 1.00 4.12 H new ATOM 0 HG2 ARG A 94 1.106 -22.181 -2.346 1.00 2.02 H new ATOM 0 HG3 ARG A 94 1.034 -20.430 -2.323 1.00 2.02 H new ATOM 0 HD2 ARG A 94 3.159 -21.339 -1.367 1.00 44.35 H new ATOM 0 HD3 ARG A 94 2.278 -20.322 -0.245 1.00 44.35 H new ATOM 0 HE ARG A 94 1.902 -22.163 1.148 1.00 43.35 H new ATOM 0 HH11 ARG A 94 3.103 -23.193 -2.009 1.00 11.22 H new ATOM 0 HH12 ARG A 94 3.369 -24.861 -1.492 1.00 11.22 H new ATOM 0 HH21 ARG A 94 2.248 -24.308 1.804 1.00 11.13 H new ATOM 0 HH22 ARG A 94 2.887 -25.490 0.657 1.00 11.13 H new ATOM 1458 N ILE A 95 -3.418 -21.036 -1.615 1.00 31.41 N ATOM 1459 CA ILE A 95 -4.793 -21.406 -1.303 1.00 72.13 C ATOM 1460 C ILE A 95 -5.290 -22.508 -2.233 1.00 32.23 C ATOM 1461 O ILE A 95 -4.791 -22.667 -3.347 1.00 52.21 O ATOM 1462 CB ILE A 95 -5.739 -20.196 -1.409 1.00 14.41 C ATOM 1463 CG1 ILE A 95 -5.505 -19.450 -2.724 1.00 63.45 C ATOM 1464 CG2 ILE A 95 -5.541 -19.263 -0.223 1.00 70.31 C ATOM 1465 CD1 ILE A 95 -6.405 -18.249 -2.907 1.00 50.41 C ATOM 0 H ILE A 95 -3.149 -21.193 -2.586 1.00 31.41 H new ATOM 0 HA ILE A 95 -4.796 -21.771 -0.276 1.00 72.13 H new ATOM 0 HB ILE A 95 -6.768 -20.557 -1.396 1.00 14.41 H new ATOM 0 HG12 ILE A 95 -4.466 -19.125 -2.767 1.00 63.45 H new ATOM 0 HG13 ILE A 95 -5.658 -20.139 -3.555 1.00 63.45 H new ATOM 0 HG21 ILE A 95 -6.217 -18.412 -0.312 1.00 70.31 H new ATOM 0 HG22 ILE A 95 -5.753 -19.800 0.702 1.00 70.31 H new ATOM 0 HG23 ILE A 95 -4.511 -18.908 -0.208 1.00 70.31 H new ATOM 0 HD11 ILE A 95 -6.183 -17.770 -3.860 1.00 50.41 H new ATOM 0 HD12 ILE A 95 -7.447 -18.570 -2.896 1.00 50.41 H new ATOM 0 HD13 ILE A 95 -6.235 -17.540 -2.096 1.00 50.41 H new ATOM 1477 N TYR A 96 -6.277 -23.266 -1.768 1.00 20.02 N ATOM 1478 CA TYR A 96 -6.842 -24.354 -2.557 1.00 21.21 C ATOM 1479 C TYR A 96 -8.190 -23.955 -3.149 1.00 33.04 C ATOM 1480 O TYR A 96 -9.182 -23.828 -2.430 1.00 54.54 O ATOM 1481 CB TYR A 96 -7.002 -25.608 -1.695 1.00 44.30 C ATOM 1482 CG TYR A 96 -5.688 -26.192 -1.226 1.00 50.42 C ATOM 1483 CD1 TYR A 96 -4.934 -25.558 -0.246 1.00 62.33 C ATOM 1484 CD2 TYR A 96 -5.202 -27.377 -1.763 1.00 23.51 C ATOM 1485 CE1 TYR A 96 -3.733 -26.088 0.184 1.00 2.13 C ATOM 1486 CE2 TYR A 96 -4.002 -27.915 -1.337 1.00 74.23 C ATOM 1487 CZ TYR A 96 -3.271 -27.267 -0.364 1.00 15.50 C ATOM 1488 OH TYR A 96 -2.076 -27.798 0.063 1.00 33.13 O ATOM 0 H TYR A 96 -6.702 -23.147 -0.849 1.00 20.02 H new ATOM 0 HA TYR A 96 -6.155 -24.569 -3.376 1.00 21.21 H new ATOM 0 HB2 TYR A 96 -7.613 -25.366 -0.826 1.00 44.30 H new ATOM 0 HB3 TYR A 96 -7.543 -26.364 -2.264 1.00 44.30 H new ATOM 0 HD1 TYR A 96 -5.293 -24.636 0.187 1.00 62.33 H new ATOM 0 HD2 TYR A 96 -5.771 -27.887 -2.526 1.00 23.51 H new ATOM 0 HE1 TYR A 96 -3.158 -25.582 0.946 1.00 2.13 H new ATOM 0 HE2 TYR A 96 -3.639 -28.838 -1.764 1.00 74.23 H new ATOM 0 HH TYR A 96 -1.896 -28.630 -0.422 1.00 33.13 H new ATOM 1498 N ILE A 97 -8.218 -23.760 -4.463 1.00 1.04 N ATOM 1499 CA ILE A 97 -9.444 -23.377 -5.152 1.00 62.20 C ATOM 1500 C ILE A 97 -10.236 -24.605 -5.587 1.00 33.32 C ATOM 1501 O ILE A 97 -9.703 -25.504 -6.238 1.00 21.14 O ATOM 1502 CB ILE A 97 -9.147 -22.508 -6.388 1.00 44.21 C ATOM 1503 CG1 ILE A 97 -8.188 -21.373 -6.022 1.00 11.22 C ATOM 1504 CG2 ILE A 97 -10.439 -21.951 -6.967 1.00 64.21 C ATOM 1505 CD1 ILE A 97 -8.691 -20.497 -4.896 1.00 1.12 C ATOM 0 H ILE A 97 -7.406 -23.861 -5.072 1.00 1.04 H new ATOM 0 HA ILE A 97 -10.036 -22.797 -4.444 1.00 62.20 H new ATOM 0 HB ILE A 97 -8.671 -23.131 -7.146 1.00 44.21 H new ATOM 0 HG12 ILE A 97 -7.225 -21.799 -5.738 1.00 11.22 H new ATOM 0 HG13 ILE A 97 -8.016 -20.755 -6.903 1.00 11.22 H new ATOM 0 HG21 ILE A 97 -10.212 -21.339 -7.840 1.00 64.21 H new ATOM 0 HG22 ILE A 97 -11.091 -22.774 -7.260 1.00 64.21 H new ATOM 0 HG23 ILE A 97 -10.941 -21.340 -6.216 1.00 64.21 H new ATOM 0 HD11 ILE A 97 -7.961 -19.714 -4.690 1.00 1.12 H new ATOM 0 HD12 ILE A 97 -9.639 -20.043 -5.184 1.00 1.12 H new ATOM 0 HD13 ILE A 97 -8.836 -21.102 -4.001 1.00 1.12 H new ATOM 1517 N LYS A 98 -11.514 -24.637 -5.224 1.00 52.34 N ATOM 1518 CA LYS A 98 -12.383 -25.752 -5.579 1.00 34.41 C ATOM 1519 C LYS A 98 -13.745 -25.253 -6.051 1.00 11.33 C ATOM 1520 O LYS A 98 -14.364 -24.408 -5.404 1.00 61.13 O ATOM 1521 CB LYS A 98 -12.559 -26.689 -4.382 1.00 21.43 C ATOM 1522 CG LYS A 98 -11.675 -27.923 -4.440 1.00 71.33 C ATOM 1523 CD LYS A 98 -12.168 -29.008 -3.497 1.00 12.41 C ATOM 1524 CE LYS A 98 -11.708 -30.387 -3.944 1.00 3.33 C ATOM 1525 NZ LYS A 98 -12.817 -31.172 -4.552 1.00 12.11 N ATOM 0 H LYS A 98 -11.971 -23.902 -4.684 1.00 52.34 H new ATOM 0 HA LYS A 98 -11.913 -26.299 -6.396 1.00 34.41 H new ATOM 0 HB2 LYS A 98 -12.342 -26.139 -3.466 1.00 21.43 H new ATOM 0 HB3 LYS A 98 -13.602 -27.002 -4.326 1.00 21.43 H new ATOM 0 HG2 LYS A 98 -11.653 -28.308 -5.459 1.00 71.33 H new ATOM 0 HG3 LYS A 98 -10.652 -27.651 -4.180 1.00 71.33 H new ATOM 0 HD2 LYS A 98 -11.802 -28.810 -2.490 1.00 12.41 H new ATOM 0 HD3 LYS A 98 -13.257 -28.984 -3.451 1.00 12.41 H new ATOM 0 HE2 LYS A 98 -10.898 -30.283 -4.666 1.00 3.33 H new ATOM 0 HE3 LYS A 98 -11.305 -30.930 -3.089 1.00 3.33 H new ATOM 0 HZ1 LYS A 98 -12.428 -31.848 -5.240 1.00 12.11 H new ATOM 0 HZ2 LYS A 98 -13.324 -31.690 -3.807 1.00 12.11 H new ATOM 0 HZ3 LYS A 98 -13.475 -30.527 -5.034 1.00 12.11 H new ATOM 1539 N GLU A 99 -14.206 -25.781 -7.180 1.00 63.32 N ATOM 1540 CA GLU A 99 -15.495 -25.388 -7.737 1.00 21.22 C ATOM 1541 C GLU A 99 -16.633 -26.148 -7.062 1.00 13.22 C ATOM 1542 O GLU A 99 -16.583 -27.370 -6.922 1.00 41.00 O ATOM 1543 CB GLU A 99 -15.523 -25.641 -9.246 1.00 25.14 C ATOM 1544 CG GLU A 99 -15.136 -27.059 -9.632 1.00 53.23 C ATOM 1545 CD GLU A 99 -16.139 -27.701 -10.571 1.00 30.20 C ATOM 1546 OE1 GLU A 99 -16.794 -26.963 -11.336 1.00 13.14 O ATOM 1547 OE2 GLU A 99 -16.268 -28.943 -10.541 1.00 20.13 O ATOM 0 H GLU A 99 -13.706 -26.482 -7.727 1.00 63.32 H new ATOM 0 HA GLU A 99 -15.632 -24.323 -7.552 1.00 21.22 H new ATOM 0 HB2 GLU A 99 -16.524 -25.431 -9.623 1.00 25.14 H new ATOM 0 HB3 GLU A 99 -14.845 -24.942 -9.736 1.00 25.14 H new ATOM 0 HG2 GLU A 99 -14.155 -27.048 -10.107 1.00 53.23 H new ATOM 0 HG3 GLU A 99 -15.047 -27.666 -8.731 1.00 53.23 H new ATOM 1554 N LYS A 100 -17.660 -25.415 -6.644 1.00 3.31 N ATOM 1555 CA LYS A 100 -18.812 -26.017 -5.984 1.00 11.31 C ATOM 1556 C LYS A 100 -19.597 -26.895 -6.953 1.00 52.43 C ATOM 1557 O LYS A 100 -20.170 -27.911 -6.561 1.00 34.04 O ATOM 1558 CB LYS A 100 -19.724 -24.929 -5.411 1.00 43.05 C ATOM 1559 CG LYS A 100 -19.024 -24.002 -4.433 1.00 0.22 C ATOM 1560 CD LYS A 100 -20.003 -23.396 -3.441 1.00 70.02 C ATOM 1561 CE LYS A 100 -21.040 -22.530 -4.140 1.00 60.00 C ATOM 1562 NZ LYS A 100 -21.591 -21.484 -3.234 1.00 62.41 N ATOM 0 H LYS A 100 -17.718 -24.402 -6.751 1.00 3.31 H new ATOM 0 HA LYS A 100 -18.447 -26.642 -5.169 1.00 11.31 H new ATOM 0 HB2 LYS A 100 -20.130 -24.338 -6.232 1.00 43.05 H new ATOM 0 HB3 LYS A 100 -20.569 -25.402 -4.910 1.00 43.05 H new ATOM 0 HG2 LYS A 100 -18.254 -24.554 -3.894 1.00 0.22 H new ATOM 0 HG3 LYS A 100 -18.521 -23.206 -4.982 1.00 0.22 H new ATOM 0 HD2 LYS A 100 -20.504 -24.192 -2.890 1.00 70.02 H new ATOM 0 HD3 LYS A 100 -19.459 -22.796 -2.711 1.00 70.02 H new ATOM 0 HE2 LYS A 100 -20.589 -22.055 -5.011 1.00 60.00 H new ATOM 0 HE3 LYS A 100 -21.852 -23.159 -4.505 1.00 60.00 H new ATOM 0 HZ1 LYS A 100 -22.294 -20.915 -3.748 1.00 62.41 H new ATOM 0 HZ2 LYS A 100 -22.044 -21.938 -2.415 1.00 62.41 H new ATOM 0 HZ3 LYS A 100 -20.820 -20.868 -2.906 1.00 62.41 H new TER 1576 LYS A 100