USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 752 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 Set 1.1: A 23 MET CE :methyl 145:sc= -0.0442 (180deg=-0.528) USER MOD Set 1.2: A 26 GLN : amide:sc= -0.129 K(o=-0.17,f=-0.7) USER MOD Set 2.1: A 5 TYR OH : rot 30:sc= -1.09 USER MOD Set 2.2: A 84 GLN : amide:sc= -2.44 K(o=-3.5,f=-8.6!) USER MOD Set 3.1: A 1 MET N :NH3+ 161:sc= -0.253 (180deg=-1.02) USER MOD Set 3.2: A 3 THR OG1 : rot 155:sc= 1.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 166:sc= -0.698 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= -0.01 (180deg=-0.195) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0351 X(o=-0.035,f=-0.27) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -2:sc= 0.687 USER MOD Single : A 41 SER OG : rot 126:sc= 1.12 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -5.47! C(o=-5.5!,f=-8.5!) USER MOD Single : A 48 TYR OH : rot 147:sc= 0.0187 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-0.83) USER MOD Single : A 59 THR OG1 : rot 80:sc= -1.96 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -4.7! C(o=-4.7!,f=-8.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 70 SER OG : rot -43:sc= 0.756 USER MOD Single : A 72 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.0005) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 88 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.9!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.969 -1.358 -4.039 1.00 54.32 N ATOM 2 CA MET A 1 1.824 -0.510 -4.352 1.00 73.32 C ATOM 3 C MET A 1 2.239 0.955 -4.436 1.00 14.24 C ATOM 4 O MET A 1 2.408 1.501 -5.525 1.00 71.25 O ATOM 5 CB MET A 1 0.730 -0.684 -3.296 1.00 41.45 C ATOM 6 CG MET A 1 1.254 -1.157 -1.951 1.00 23.15 C ATOM 7 SD MET A 1 0.200 -0.652 -0.578 1.00 33.52 S ATOM 8 CE MET A 1 1.188 -1.180 0.820 1.00 51.31 C ATOM 0 H1 MET A 1 2.634 -2.273 -3.674 1.00 54.32 H new ATOM 0 H2 MET A 1 3.531 -1.514 -4.900 1.00 54.32 H new ATOM 0 H3 MET A 1 3.559 -0.893 -3.319 1.00 54.32 H new ATOM 0 HA MET A 1 1.433 -0.814 -5.323 1.00 73.32 H new ATOM 0 HB2 MET A 1 0.212 0.266 -3.161 1.00 41.45 H new ATOM 0 HB3 MET A 1 -0.006 -1.400 -3.662 1.00 41.45 H new ATOM 0 HG2 MET A 1 1.337 -2.244 -1.960 1.00 23.15 H new ATOM 0 HG3 MET A 1 2.258 -0.762 -1.797 1.00 23.15 H new ATOM 0 HE1 MET A 1 0.668 -0.936 1.746 1.00 51.31 H new ATOM 0 HE2 MET A 1 1.348 -2.257 0.767 1.00 51.31 H new ATOM 0 HE3 MET A 1 2.151 -0.669 0.799 1.00 51.31 H new ATOM 18 N ALA A 2 2.400 1.587 -3.277 1.00 63.44 N ATOM 19 CA ALA A 2 2.797 2.988 -3.220 1.00 50.02 C ATOM 20 C ALA A 2 4.156 3.201 -3.878 1.00 41.21 C ATOM 21 O ALA A 2 4.525 4.327 -4.216 1.00 72.40 O ATOM 22 CB ALA A 2 2.825 3.470 -1.777 1.00 44.04 C ATOM 0 H ALA A 2 2.261 1.150 -2.366 1.00 63.44 H new ATOM 0 HA ALA A 2 2.060 3.572 -3.772 1.00 50.02 H new ATOM 0 HB1 ALA A 2 3.123 4.518 -1.749 1.00 44.04 H new ATOM 0 HB2 ALA A 2 1.833 3.363 -1.338 1.00 44.04 H new ATOM 0 HB3 ALA A 2 3.539 2.874 -1.208 1.00 44.04 H new ATOM 28 N THR A 3 4.899 2.113 -4.057 1.00 1.30 N ATOM 29 CA THR A 3 6.218 2.181 -4.673 1.00 3.54 C ATOM 30 C THR A 3 6.171 2.943 -5.992 1.00 54.12 C ATOM 31 O THR A 3 6.762 4.015 -6.125 1.00 1.13 O ATOM 32 CB THR A 3 6.794 0.775 -4.925 1.00 52.21 C ATOM 33 OG1 THR A 3 5.731 -0.152 -5.171 1.00 32.35 O ATOM 34 CG2 THR A 3 7.618 0.306 -3.736 1.00 3.32 C ATOM 0 H THR A 3 4.609 1.174 -3.784 1.00 1.30 H new ATOM 0 HA THR A 3 6.866 2.711 -3.974 1.00 3.54 H new ATOM 0 HB THR A 3 7.443 0.824 -5.799 1.00 52.21 H new ATOM 0 HG1 THR A 3 6.068 -0.903 -5.702 1.00 32.35 H new ATOM 0 HG21 THR A 3 8.014 -0.689 -3.938 1.00 3.32 H new ATOM 0 HG22 THR A 3 8.443 0.998 -3.570 1.00 3.32 H new ATOM 0 HG23 THR A 3 6.988 0.272 -2.847 1.00 3.32 H new ATOM 42 N THR A 4 5.462 2.384 -6.968 1.00 31.40 N ATOM 43 CA THR A 4 5.337 3.010 -8.278 1.00 22.10 C ATOM 44 C THR A 4 4.159 3.976 -8.315 1.00 40.54 C ATOM 45 O THR A 4 4.107 4.874 -9.156 1.00 54.33 O ATOM 46 CB THR A 4 5.159 1.958 -9.389 1.00 20.00 C ATOM 47 OG1 THR A 4 3.954 1.216 -9.172 1.00 71.41 O ATOM 48 CG2 THR A 4 6.346 1.007 -9.429 1.00 51.34 C ATOM 0 H THR A 4 4.965 1.498 -6.875 1.00 31.40 H new ATOM 0 HA THR A 4 6.261 3.561 -8.455 1.00 22.10 H new ATOM 0 HB THR A 4 5.098 2.478 -10.345 1.00 20.00 H new ATOM 0 HG1 THR A 4 3.731 0.710 -9.981 1.00 71.41 H new ATOM 0 HG21 THR A 4 6.198 0.273 -10.221 1.00 51.34 H new ATOM 0 HG22 THR A 4 7.258 1.571 -9.623 1.00 51.34 H new ATOM 0 HG23 THR A 4 6.434 0.494 -8.471 1.00 51.34 H new ATOM 56 N TYR A 5 3.216 3.788 -7.399 1.00 71.33 N ATOM 57 CA TYR A 5 2.037 4.643 -7.329 1.00 32.41 C ATOM 58 C TYR A 5 2.395 6.021 -6.783 1.00 2.23 C ATOM 59 O TYR A 5 2.068 7.043 -7.385 1.00 12.12 O ATOM 60 CB TYR A 5 0.964 3.997 -6.450 1.00 64.51 C ATOM 61 CG TYR A 5 0.147 2.946 -7.167 1.00 32.45 C ATOM 62 CD1 TYR A 5 -1.242 2.993 -7.158 1.00 41.04 C ATOM 63 CD2 TYR A 5 0.763 1.905 -7.850 1.00 75.25 C ATOM 64 CE1 TYR A 5 -1.993 2.035 -7.811 1.00 32.31 C ATOM 65 CE2 TYR A 5 0.019 0.943 -8.507 1.00 24.01 C ATOM 66 CZ TYR A 5 -1.358 1.012 -8.484 1.00 50.11 C ATOM 67 OH TYR A 5 -2.102 0.055 -9.136 1.00 1.14 O ATOM 0 H TYR A 5 3.245 3.051 -6.694 1.00 71.33 H new ATOM 0 HA TYR A 5 1.646 4.763 -8.339 1.00 32.41 H new ATOM 0 HB2 TYR A 5 1.442 3.544 -5.581 1.00 64.51 H new ATOM 0 HB3 TYR A 5 0.296 4.773 -6.077 1.00 64.51 H new ATOM 0 HD1 TYR A 5 -1.743 3.792 -6.632 1.00 41.04 H new ATOM 0 HD2 TYR A 5 1.841 1.846 -7.868 1.00 75.25 H new ATOM 0 HE1 TYR A 5 -3.072 2.087 -7.795 1.00 32.31 H new ATOM 0 HE2 TYR A 5 0.514 0.142 -9.036 1.00 24.01 H new ATOM 0 HH TYR A 5 -2.946 0.449 -9.442 1.00 1.14 H new ATOM 77 N GLU A 6 3.071 6.040 -5.638 1.00 34.32 N ATOM 78 CA GLU A 6 3.474 7.292 -5.010 1.00 12.43 C ATOM 79 C GLU A 6 4.492 8.031 -5.874 1.00 14.42 C ATOM 80 O GLU A 6 4.680 9.239 -5.732 1.00 3.02 O ATOM 81 CB GLU A 6 4.063 7.027 -3.623 1.00 22.32 C ATOM 82 CG GLU A 6 3.878 8.180 -2.651 1.00 55.24 C ATOM 83 CD GLU A 6 4.588 7.951 -1.331 1.00 53.34 C ATOM 84 OE1 GLU A 6 5.412 7.016 -1.256 1.00 72.12 O ATOM 85 OE2 GLU A 6 4.320 8.707 -0.374 1.00 34.30 O ATOM 0 H GLU A 6 3.351 5.203 -5.127 1.00 34.32 H new ATOM 0 HA GLU A 6 2.588 7.918 -4.907 1.00 12.43 H new ATOM 0 HB2 GLU A 6 3.599 6.133 -3.206 1.00 22.32 H new ATOM 0 HB3 GLU A 6 5.128 6.816 -3.724 1.00 22.32 H new ATOM 0 HG2 GLU A 6 4.252 9.097 -3.106 1.00 55.24 H new ATOM 0 HG3 GLU A 6 2.814 8.327 -2.466 1.00 55.24 H new ATOM 92 N GLU A 7 5.144 7.296 -6.769 1.00 4.25 N ATOM 93 CA GLU A 7 6.144 7.882 -7.654 1.00 71.33 C ATOM 94 C GLU A 7 5.496 8.415 -8.929 1.00 13.13 C ATOM 95 O GLU A 7 5.889 9.460 -9.448 1.00 62.54 O ATOM 96 CB GLU A 7 7.213 6.846 -8.008 1.00 4.21 C ATOM 97 CG GLU A 7 8.544 7.459 -8.412 1.00 31.04 C ATOM 98 CD GLU A 7 9.493 6.445 -9.020 1.00 73.42 C ATOM 99 OE1 GLU A 7 10.718 6.586 -8.823 1.00 12.21 O ATOM 100 OE2 GLU A 7 9.011 5.510 -9.694 1.00 13.05 O ATOM 0 H GLU A 7 4.998 6.295 -6.900 1.00 4.25 H new ATOM 0 HA GLU A 7 6.614 8.714 -7.130 1.00 71.33 H new ATOM 0 HB2 GLU A 7 7.369 6.190 -7.151 1.00 4.21 H new ATOM 0 HB3 GLU A 7 6.847 6.223 -8.824 1.00 4.21 H new ATOM 0 HG2 GLU A 7 8.368 8.261 -9.129 1.00 31.04 H new ATOM 0 HG3 GLU A 7 9.012 7.910 -7.537 1.00 31.04 H new ATOM 107 N PHE A 8 4.500 7.690 -9.427 1.00 60.23 N ATOM 108 CA PHE A 8 3.798 8.088 -10.642 1.00 14.14 C ATOM 109 C PHE A 8 2.830 9.234 -10.359 1.00 64.03 C ATOM 110 O PHE A 8 2.683 10.149 -11.168 1.00 52.34 O ATOM 111 CB PHE A 8 3.038 6.898 -11.230 1.00 73.43 C ATOM 112 CG PHE A 8 3.831 6.121 -12.242 1.00 0.10 C ATOM 113 CD1 PHE A 8 4.416 6.761 -13.322 1.00 43.15 C ATOM 114 CD2 PHE A 8 3.991 4.751 -12.113 1.00 20.23 C ATOM 115 CE1 PHE A 8 5.147 6.050 -14.255 1.00 63.51 C ATOM 116 CE2 PHE A 8 4.721 4.034 -13.042 1.00 2.12 C ATOM 117 CZ PHE A 8 5.299 4.684 -14.115 1.00 20.00 C ATOM 0 H PHE A 8 4.161 6.824 -9.008 1.00 60.23 H new ATOM 0 HA PHE A 8 4.539 8.430 -11.365 1.00 14.14 H new ATOM 0 HB2 PHE A 8 2.743 6.230 -10.421 1.00 73.43 H new ATOM 0 HB3 PHE A 8 2.121 7.258 -11.697 1.00 73.43 H new ATOM 0 HD1 PHE A 8 4.300 7.829 -13.437 1.00 43.15 H new ATOM 0 HD2 PHE A 8 3.540 4.237 -11.277 1.00 20.23 H new ATOM 0 HE1 PHE A 8 5.599 6.561 -15.092 1.00 63.51 H new ATOM 0 HE2 PHE A 8 4.839 2.966 -12.929 1.00 2.12 H new ATOM 0 HZ PHE A 8 5.869 4.126 -14.843 1.00 20.00 H new ATOM 127 N ALA A 9 2.173 9.175 -9.206 1.00 4.25 N ATOM 128 CA ALA A 9 1.222 10.208 -8.815 1.00 75.30 C ATOM 129 C ALA A 9 1.918 11.550 -8.616 1.00 20.40 C ATOM 130 O ALA A 9 1.282 12.602 -8.661 1.00 43.34 O ATOM 131 CB ALA A 9 0.489 9.798 -7.546 1.00 22.40 C ATOM 0 H ALA A 9 2.282 8.423 -8.526 1.00 4.25 H new ATOM 0 HA ALA A 9 0.496 10.321 -9.620 1.00 75.30 H new ATOM 0 HB1 ALA A 9 -0.218 10.579 -7.266 1.00 22.40 H new ATOM 0 HB2 ALA A 9 -0.050 8.867 -7.722 1.00 22.40 H new ATOM 0 HB3 ALA A 9 1.209 9.654 -6.740 1.00 22.40 H new ATOM 137 N ALA A 10 3.228 11.504 -8.395 1.00 13.14 N ATOM 138 CA ALA A 10 4.010 12.717 -8.190 1.00 23.42 C ATOM 139 C ALA A 10 4.529 13.266 -9.515 1.00 32.44 C ATOM 140 O ALA A 10 4.707 14.474 -9.671 1.00 24.31 O ATOM 141 CB ALA A 10 5.167 12.444 -7.240 1.00 65.23 C ATOM 0 H ALA A 10 3.769 10.641 -8.353 1.00 13.14 H new ATOM 0 HA ALA A 10 3.359 13.469 -7.745 1.00 23.42 H new ATOM 0 HB1 ALA A 10 5.743 13.358 -7.096 1.00 65.23 H new ATOM 0 HB2 ALA A 10 4.777 12.105 -6.280 1.00 65.23 H new ATOM 0 HB3 ALA A 10 5.811 11.673 -7.663 1.00 65.23 H new ATOM 147 N LYS A 11 4.770 12.371 -10.467 1.00 33.32 N ATOM 148 CA LYS A 11 5.267 12.765 -11.779 1.00 65.35 C ATOM 149 C LYS A 11 4.115 13.115 -12.716 1.00 3.35 C ATOM 150 O LYS A 11 4.262 13.947 -13.612 1.00 74.14 O ATOM 151 CB LYS A 11 6.108 11.640 -12.387 1.00 63.25 C ATOM 152 CG LYS A 11 7.561 11.659 -11.945 1.00 20.25 C ATOM 153 CD LYS A 11 8.271 12.918 -12.414 1.00 34.14 C ATOM 154 CE LYS A 11 9.543 12.588 -13.179 1.00 51.32 C ATOM 155 NZ LYS A 11 10.566 13.662 -13.043 1.00 70.21 N ATOM 0 H LYS A 11 4.629 11.367 -10.354 1.00 33.32 H new ATOM 0 HA LYS A 11 5.890 13.650 -11.652 1.00 65.35 H new ATOM 0 HB2 LYS A 11 5.667 10.681 -12.115 1.00 63.25 H new ATOM 0 HB3 LYS A 11 6.067 11.714 -13.474 1.00 63.25 H new ATOM 0 HG2 LYS A 11 7.612 11.595 -10.858 1.00 20.25 H new ATOM 0 HG3 LYS A 11 8.074 10.782 -12.341 1.00 20.25 H new ATOM 0 HD2 LYS A 11 7.603 13.498 -13.050 1.00 34.14 H new ATOM 0 HD3 LYS A 11 8.514 13.542 -11.554 1.00 34.14 H new ATOM 0 HE2 LYS A 11 9.953 11.647 -12.813 1.00 51.32 H new ATOM 0 HE3 LYS A 11 9.306 12.444 -14.233 1.00 51.32 H new ATOM 0 HZ1 LYS A 11 11.418 13.400 -13.579 1.00 70.21 H new ATOM 0 HZ2 LYS A 11 10.184 14.555 -13.416 1.00 70.21 H new ATOM 0 HZ3 LYS A 11 10.811 13.783 -12.040 1.00 70.21 H new ATOM 169 N LEU A 12 2.970 12.478 -12.501 1.00 33.03 N ATOM 170 CA LEU A 12 1.791 12.724 -13.325 1.00 22.15 C ATOM 171 C LEU A 12 1.241 14.126 -13.083 1.00 70.12 C ATOM 172 O LEU A 12 0.581 14.702 -13.948 1.00 73.10 O ATOM 173 CB LEU A 12 0.711 11.682 -13.028 1.00 62.25 C ATOM 174 CG LEU A 12 0.635 10.501 -13.997 1.00 34.23 C ATOM 175 CD1 LEU A 12 0.272 10.979 -15.394 1.00 65.02 C ATOM 176 CD2 LEU A 12 1.953 9.741 -14.016 1.00 33.41 C ATOM 0 H LEU A 12 2.832 11.787 -11.763 1.00 33.03 H new ATOM 0 HA LEU A 12 2.086 12.645 -14.371 1.00 22.15 H new ATOM 0 HB2 LEU A 12 0.876 11.292 -12.024 1.00 62.25 H new ATOM 0 HB3 LEU A 12 -0.257 12.183 -13.020 1.00 62.25 H new ATOM 0 HG LEU A 12 -0.147 9.823 -13.653 1.00 34.23 H new ATOM 0 HD11 LEU A 12 0.223 10.125 -16.069 1.00 65.02 H new ATOM 0 HD12 LEU A 12 -0.697 11.477 -15.368 1.00 65.02 H new ATOM 0 HD13 LEU A 12 1.030 11.678 -15.748 1.00 65.02 H new ATOM 0 HD21 LEU A 12 1.881 8.904 -14.711 1.00 33.41 H new ATOM 0 HD22 LEU A 12 2.753 10.409 -14.334 1.00 33.41 H new ATOM 0 HD23 LEU A 12 2.170 9.365 -13.016 1.00 33.41 H new ATOM 188 N ASP A 13 1.519 14.670 -11.904 1.00 21.24 N ATOM 189 CA ASP A 13 1.055 16.006 -11.549 1.00 51.13 C ATOM 190 C ASP A 13 1.633 17.052 -12.498 1.00 23.52 C ATOM 191 O ASP A 13 1.175 18.194 -12.533 1.00 20.35 O ATOM 192 CB ASP A 13 1.442 16.338 -10.107 1.00 41.13 C ATOM 193 CG ASP A 13 0.233 16.523 -9.211 1.00 42.03 C ATOM 194 OD1 ASP A 13 -0.485 17.530 -9.384 1.00 74.11 O ATOM 195 OD2 ASP A 13 0.005 15.660 -8.338 1.00 3.42 O ATOM 0 H ASP A 13 2.064 14.206 -11.177 1.00 21.24 H new ATOM 0 HA ASP A 13 -0.031 16.022 -11.638 1.00 51.13 H new ATOM 0 HB2 ASP A 13 2.067 15.539 -9.708 1.00 41.13 H new ATOM 0 HB3 ASP A 13 2.042 17.248 -10.095 1.00 41.13 H new ATOM 200 N ARG A 14 2.643 16.653 -13.265 1.00 11.11 N ATOM 201 CA ARG A 14 3.285 17.556 -14.212 1.00 44.20 C ATOM 202 C ARG A 14 2.771 17.314 -15.628 1.00 43.32 C ATOM 203 O ARG A 14 3.177 17.994 -16.572 1.00 53.10 O ATOM 204 CB ARG A 14 4.804 17.376 -14.172 1.00 30.25 C ATOM 205 CG ARG A 14 5.502 18.310 -13.197 1.00 25.21 C ATOM 206 CD ARG A 14 5.345 19.765 -13.610 1.00 32.14 C ATOM 207 NE ARG A 14 6.232 20.647 -12.856 1.00 33.24 N ATOM 208 CZ ARG A 14 6.240 21.969 -12.988 1.00 30.41 C ATOM 209 NH1 ARG A 14 5.413 22.558 -13.840 1.00 52.01 N ATOM 210 NH2 ARG A 14 7.077 22.704 -12.266 1.00 74.44 N ATOM 0 H ARG A 14 3.034 15.711 -13.249 1.00 11.11 H new ATOM 0 HA ARG A 14 3.039 18.578 -13.924 1.00 44.20 H new ATOM 0 HB2 ARG A 14 5.032 16.345 -13.901 1.00 30.25 H new ATOM 0 HB3 ARG A 14 5.207 17.540 -15.171 1.00 30.25 H new ATOM 0 HG2 ARG A 14 5.091 18.168 -12.198 1.00 25.21 H new ATOM 0 HG3 ARG A 14 6.561 18.058 -13.145 1.00 25.21 H new ATOM 0 HD2 ARG A 14 5.555 19.864 -14.675 1.00 32.14 H new ATOM 0 HD3 ARG A 14 4.311 20.075 -13.459 1.00 32.14 H new ATOM 0 HE ARG A 14 6.881 20.225 -12.192 1.00 33.24 H new ATOM 0 HH11 ARG A 14 4.768 21.996 -14.396 1.00 52.01 H new ATOM 0 HH12 ARG A 14 5.421 23.573 -13.939 1.00 52.01 H new ATOM 0 HH21 ARG A 14 7.715 22.254 -11.609 1.00 74.44 H new ATOM 0 HH22 ARG A 14 7.083 23.719 -12.368 1.00 74.44 H new ATOM 224 N LEU A 15 1.877 16.342 -15.769 1.00 64.14 N ATOM 225 CA LEU A 15 1.308 16.009 -17.070 1.00 54.35 C ATOM 226 C LEU A 15 -0.173 16.372 -17.125 1.00 71.52 C ATOM 227 O LEU A 15 -0.653 16.917 -18.119 1.00 63.34 O ATOM 228 CB LEU A 15 1.491 14.519 -17.364 1.00 10.32 C ATOM 229 CG LEU A 15 2.783 13.887 -16.844 1.00 74.02 C ATOM 230 CD1 LEU A 15 2.920 12.460 -17.351 1.00 72.31 C ATOM 231 CD2 LEU A 15 3.988 14.720 -17.257 1.00 34.41 C ATOM 0 H LEU A 15 1.530 15.771 -14.998 1.00 64.14 H new ATOM 0 HA LEU A 15 1.834 16.589 -17.828 1.00 54.35 H new ATOM 0 HB2 LEU A 15 0.647 13.978 -16.936 1.00 10.32 H new ATOM 0 HB3 LEU A 15 1.448 14.374 -18.443 1.00 10.32 H new ATOM 0 HG LEU A 15 2.740 13.862 -15.755 1.00 74.02 H new ATOM 0 HD11 LEU A 15 3.845 12.026 -16.971 1.00 72.31 H new ATOM 0 HD12 LEU A 15 2.073 11.868 -17.005 1.00 72.31 H new ATOM 0 HD13 LEU A 15 2.941 12.461 -18.441 1.00 72.31 H new ATOM 0 HD21 LEU A 15 4.898 14.255 -16.878 1.00 34.41 H new ATOM 0 HD22 LEU A 15 4.035 14.778 -18.344 1.00 34.41 H new ATOM 0 HD23 LEU A 15 3.895 15.725 -16.844 1.00 34.41 H new ATOM 243 N ASP A 16 -0.891 16.067 -16.050 1.00 74.21 N ATOM 244 CA ASP A 16 -2.317 16.363 -15.974 1.00 12.21 C ATOM 245 C ASP A 16 -3.052 15.818 -17.195 1.00 24.23 C ATOM 246 O ASP A 16 -4.014 16.418 -17.672 1.00 11.13 O ATOM 247 CB ASP A 16 -2.541 17.872 -15.861 1.00 21.03 C ATOM 248 CG ASP A 16 -1.776 18.485 -14.704 1.00 53.42 C ATOM 249 OD1 ASP A 16 -1.913 17.983 -13.569 1.00 13.11 O ATOM 250 OD2 ASP A 16 -1.040 19.467 -14.935 1.00 11.34 O ATOM 0 H ASP A 16 -0.509 15.615 -15.219 1.00 74.21 H new ATOM 0 HA ASP A 16 -2.717 15.876 -15.084 1.00 12.21 H new ATOM 0 HB2 ASP A 16 -2.235 18.353 -16.790 1.00 21.03 H new ATOM 0 HB3 ASP A 16 -3.605 18.070 -15.735 1.00 21.03 H new ATOM 255 N ALA A 17 -2.590 14.677 -17.696 1.00 24.11 N ATOM 256 CA ALA A 17 -3.203 14.050 -18.860 1.00 40.23 C ATOM 257 C ALA A 17 -4.153 12.932 -18.445 1.00 61.12 C ATOM 258 O ALA A 17 -5.361 13.019 -18.664 1.00 63.41 O ATOM 259 CB ALA A 17 -2.131 13.514 -19.797 1.00 63.02 C ATOM 0 H ALA A 17 -1.793 14.168 -17.314 1.00 24.11 H new ATOM 0 HA ALA A 17 -3.784 14.808 -19.386 1.00 40.23 H new ATOM 0 HB1 ALA A 17 -2.603 13.048 -20.662 1.00 63.02 H new ATOM 0 HB2 ALA A 17 -1.495 14.334 -20.129 1.00 63.02 H new ATOM 0 HB3 ALA A 17 -1.526 12.775 -19.272 1.00 63.02 H new ATOM 265 N GLU A 18 -3.599 11.883 -17.846 1.00 64.40 N ATOM 266 CA GLU A 18 -4.398 10.747 -17.402 1.00 71.33 C ATOM 267 C GLU A 18 -4.875 10.945 -15.966 1.00 63.32 C ATOM 268 O GLU A 18 -6.076 10.990 -15.700 1.00 2.34 O ATOM 269 CB GLU A 18 -3.589 9.452 -17.509 1.00 1.41 C ATOM 270 CG GLU A 18 -2.099 9.645 -17.280 1.00 52.43 C ATOM 271 CD GLU A 18 -1.450 8.445 -16.618 1.00 53.33 C ATOM 272 OE1 GLU A 18 -2.098 7.826 -15.749 1.00 34.22 O ATOM 273 OE2 GLU A 18 -0.295 8.126 -16.969 1.00 73.11 O ATOM 0 H GLU A 18 -2.600 11.796 -17.657 1.00 64.40 H new ATOM 0 HA GLU A 18 -5.272 10.675 -18.050 1.00 71.33 H new ATOM 0 HB2 GLU A 18 -3.970 8.734 -16.782 1.00 1.41 H new ATOM 0 HB3 GLU A 18 -3.743 9.018 -18.497 1.00 1.41 H new ATOM 0 HG2 GLU A 18 -1.610 9.837 -18.235 1.00 52.43 H new ATOM 0 HG3 GLU A 18 -1.942 10.527 -16.659 1.00 52.43 H new ATOM 280 N PHE A 19 -3.924 11.061 -15.045 1.00 15.15 N ATOM 281 CA PHE A 19 -4.246 11.253 -13.635 1.00 61.51 C ATOM 282 C PHE A 19 -5.171 12.451 -13.446 1.00 51.12 C ATOM 283 O PHE A 19 -5.842 12.576 -12.422 1.00 23.31 O ATOM 284 CB PHE A 19 -2.966 11.449 -12.820 1.00 62.32 C ATOM 285 CG PHE A 19 -2.511 10.206 -12.109 1.00 53.13 C ATOM 286 CD1 PHE A 19 -2.188 10.242 -10.763 1.00 23.54 C ATOM 287 CD2 PHE A 19 -2.407 9.003 -12.788 1.00 73.41 C ATOM 288 CE1 PHE A 19 -1.769 9.100 -10.105 1.00 75.23 C ATOM 289 CE2 PHE A 19 -1.990 7.858 -12.136 1.00 72.30 C ATOM 290 CZ PHE A 19 -1.670 7.907 -10.793 1.00 63.54 C ATOM 0 H PHE A 19 -2.925 11.026 -15.249 1.00 15.15 H new ATOM 0 HA PHE A 19 -4.761 10.360 -13.281 1.00 61.51 H new ATOM 0 HB2 PHE A 19 -2.171 11.790 -13.483 1.00 62.32 H new ATOM 0 HB3 PHE A 19 -3.129 12.238 -12.086 1.00 62.32 H new ATOM 0 HD1 PHE A 19 -2.264 11.173 -10.221 1.00 23.54 H new ATOM 0 HD2 PHE A 19 -2.654 8.959 -13.838 1.00 73.41 H new ATOM 0 HE1 PHE A 19 -1.520 9.141 -9.055 1.00 75.23 H new ATOM 0 HE2 PHE A 19 -1.914 6.926 -12.676 1.00 72.30 H new ATOM 0 HZ PHE A 19 -1.343 7.014 -10.282 1.00 63.54 H new ATOM 300 N ALA A 20 -5.201 13.331 -14.442 1.00 22.21 N ATOM 301 CA ALA A 20 -6.044 14.519 -14.387 1.00 61.40 C ATOM 302 C ALA A 20 -7.497 14.175 -14.695 1.00 72.14 C ATOM 303 O ALA A 20 -8.417 14.689 -14.058 1.00 44.11 O ATOM 304 CB ALA A 20 -5.532 15.574 -15.356 1.00 11.32 C ATOM 0 H ALA A 20 -4.651 13.243 -15.297 1.00 22.21 H new ATOM 0 HA ALA A 20 -6.000 14.920 -13.374 1.00 61.40 H new ATOM 0 HB1 ALA A 20 -6.171 16.456 -15.305 1.00 11.32 H new ATOM 0 HB2 ALA A 20 -4.512 15.849 -15.089 1.00 11.32 H new ATOM 0 HB3 ALA A 20 -5.546 15.174 -16.370 1.00 11.32 H new ATOM 310 N LYS A 21 -7.699 13.303 -15.677 1.00 65.25 N ATOM 311 CA LYS A 21 -9.040 12.889 -16.071 1.00 51.31 C ATOM 312 C LYS A 21 -9.531 11.735 -15.202 1.00 43.43 C ATOM 313 O LYS A 21 -10.735 11.535 -15.040 1.00 25.12 O ATOM 314 CB LYS A 21 -9.057 12.475 -17.544 1.00 41.33 C ATOM 315 CG LYS A 21 -9.442 13.601 -18.488 1.00 42.41 C ATOM 316 CD LYS A 21 -10.947 13.806 -18.528 1.00 20.31 C ATOM 317 CE LYS A 21 -11.326 15.231 -18.157 1.00 1.24 C ATOM 318 NZ LYS A 21 -10.733 16.225 -19.094 1.00 70.22 N ATOM 0 H LYS A 21 -6.949 12.869 -16.215 1.00 65.25 H new ATOM 0 HA LYS A 21 -9.710 13.737 -15.931 1.00 51.31 H new ATOM 0 HB2 LYS A 21 -8.070 12.103 -17.819 1.00 41.33 H new ATOM 0 HB3 LYS A 21 -9.757 11.649 -17.673 1.00 41.33 H new ATOM 0 HG2 LYS A 21 -8.957 14.524 -18.171 1.00 42.41 H new ATOM 0 HG3 LYS A 21 -9.078 13.377 -19.491 1.00 42.41 H new ATOM 0 HD2 LYS A 21 -11.320 13.578 -19.526 1.00 20.31 H new ATOM 0 HD3 LYS A 21 -11.428 13.110 -17.841 1.00 20.31 H new ATOM 0 HE2 LYS A 21 -12.411 15.331 -18.161 1.00 1.24 H new ATOM 0 HE3 LYS A 21 -10.990 15.443 -17.142 1.00 1.24 H new ATOM 0 HZ1 LYS A 21 -11.282 17.107 -19.057 1.00 70.22 H new ATOM 0 HZ2 LYS A 21 -9.749 16.418 -18.818 1.00 70.22 H new ATOM 0 HZ3 LYS A 21 -10.753 15.845 -20.062 1.00 70.22 H new ATOM 332 N LYS A 22 -8.591 10.980 -14.645 1.00 22.35 N ATOM 333 CA LYS A 22 -8.926 9.847 -13.790 1.00 14.34 C ATOM 334 C LYS A 22 -9.262 10.313 -12.376 1.00 43.14 C ATOM 335 O LYS A 22 -10.201 9.816 -11.756 1.00 22.24 O ATOM 336 CB LYS A 22 -7.765 8.852 -13.748 1.00 21.32 C ATOM 337 CG LYS A 22 -8.170 7.463 -13.284 1.00 53.30 C ATOM 338 CD LYS A 22 -7.839 7.246 -11.817 1.00 50.50 C ATOM 339 CE LYS A 22 -8.284 5.872 -11.342 1.00 75.12 C ATOM 340 NZ LYS A 22 -9.741 5.836 -11.036 1.00 54.01 N ATOM 0 H LYS A 22 -7.590 11.132 -14.770 1.00 22.35 H new ATOM 0 HA LYS A 22 -9.803 9.354 -14.210 1.00 14.34 H new ATOM 0 HB2 LYS A 22 -7.324 8.779 -14.742 1.00 21.32 H new ATOM 0 HB3 LYS A 22 -6.992 9.237 -13.083 1.00 21.32 H new ATOM 0 HG2 LYS A 22 -9.240 7.324 -13.441 1.00 53.30 H new ATOM 0 HG3 LYS A 22 -7.659 6.713 -13.888 1.00 53.30 H new ATOM 0 HD2 LYS A 22 -6.765 7.354 -11.666 1.00 50.50 H new ATOM 0 HD3 LYS A 22 -8.325 8.015 -11.216 1.00 50.50 H new ATOM 0 HE2 LYS A 22 -8.055 5.131 -12.108 1.00 75.12 H new ATOM 0 HE3 LYS A 22 -7.719 5.595 -10.452 1.00 75.12 H new ATOM 0 HZ1 LYS A 22 -10.005 4.882 -10.715 1.00 54.01 H new ATOM 0 HZ2 LYS A 22 -9.956 6.525 -10.287 1.00 54.01 H new ATOM 0 HZ3 LYS A 22 -10.281 6.076 -11.892 1.00 54.01 H new ATOM 354 N MET A 23 -8.489 11.271 -11.875 1.00 21.11 N ATOM 355 CA MET A 23 -8.707 11.805 -10.536 1.00 3.25 C ATOM 356 C MET A 23 -10.141 12.299 -10.374 1.00 20.33 C ATOM 357 O MET A 23 -10.732 12.175 -9.301 1.00 64.34 O ATOM 358 CB MET A 23 -7.727 12.946 -10.253 1.00 15.21 C ATOM 359 CG MET A 23 -7.919 13.587 -8.888 1.00 2.10 C ATOM 360 SD MET A 23 -8.990 15.036 -8.945 1.00 53.21 S ATOM 361 CE MET A 23 -10.030 14.745 -7.516 1.00 71.11 C ATOM 0 H MET A 23 -7.707 11.693 -12.376 1.00 21.11 H new ATOM 0 HA MET A 23 -8.535 11.002 -9.819 1.00 3.25 H new ATOM 0 HB2 MET A 23 -6.708 12.566 -10.327 1.00 15.21 H new ATOM 0 HB3 MET A 23 -7.839 13.709 -11.023 1.00 15.21 H new ATOM 0 HG2 MET A 23 -8.343 12.853 -8.203 1.00 2.10 H new ATOM 0 HG3 MET A 23 -6.947 13.874 -8.486 1.00 2.10 H new ATOM 0 HE1 MET A 23 -10.275 15.697 -7.044 1.00 71.11 H new ATOM 0 HE2 MET A 23 -10.948 14.249 -7.829 1.00 71.11 H new ATOM 0 HE3 MET A 23 -9.501 14.112 -6.804 1.00 71.11 H new ATOM 371 N GLU A 24 -10.694 12.858 -11.445 1.00 51.32 N ATOM 372 CA GLU A 24 -12.059 13.371 -11.420 1.00 1.13 C ATOM 373 C GLU A 24 -13.056 12.250 -11.139 1.00 50.54 C ATOM 374 O GLU A 24 -14.180 12.501 -10.704 1.00 65.44 O ATOM 375 CB GLU A 24 -12.398 14.049 -12.749 1.00 5.32 C ATOM 376 CG GLU A 24 -13.590 14.988 -12.667 1.00 24.11 C ATOM 377 CD GLU A 24 -13.593 16.025 -13.773 1.00 45.11 C ATOM 378 OE1 GLU A 24 -14.571 16.797 -13.859 1.00 62.23 O ATOM 379 OE2 GLU A 24 -12.618 16.065 -14.552 1.00 44.22 O ATOM 0 H GLU A 24 -10.218 12.967 -12.341 1.00 51.32 H new ATOM 0 HA GLU A 24 -12.129 14.106 -10.618 1.00 1.13 H new ATOM 0 HB2 GLU A 24 -11.528 14.609 -13.094 1.00 5.32 H new ATOM 0 HB3 GLU A 24 -12.601 13.282 -13.497 1.00 5.32 H new ATOM 0 HG2 GLU A 24 -14.510 14.406 -12.717 1.00 24.11 H new ATOM 0 HG3 GLU A 24 -13.584 15.493 -11.701 1.00 24.11 H new ATOM 386 N GLU A 25 -12.636 11.015 -11.393 1.00 5.02 N ATOM 387 CA GLU A 25 -13.492 9.856 -11.169 1.00 51.42 C ATOM 388 C GLU A 25 -13.490 9.454 -9.697 1.00 50.21 C ATOM 389 O GLU A 25 -14.148 8.490 -9.306 1.00 42.51 O ATOM 390 CB GLU A 25 -13.031 8.679 -12.031 1.00 50.44 C ATOM 391 CG GLU A 25 -12.858 9.031 -13.499 1.00 50.33 C ATOM 392 CD GLU A 25 -12.629 7.810 -14.369 1.00 2.32 C ATOM 393 OE1 GLU A 25 -13.072 6.711 -13.975 1.00 62.12 O ATOM 394 OE2 GLU A 25 -12.007 7.954 -15.442 1.00 22.30 O ATOM 0 H GLU A 25 -11.709 10.791 -11.754 1.00 5.02 H new ATOM 0 HA GLU A 25 -14.509 10.128 -11.452 1.00 51.42 H new ATOM 0 HB2 GLU A 25 -12.085 8.303 -11.642 1.00 50.44 H new ATOM 0 HB3 GLU A 25 -13.755 7.869 -11.943 1.00 50.44 H new ATOM 0 HG2 GLU A 25 -13.744 9.560 -13.849 1.00 50.33 H new ATOM 0 HG3 GLU A 25 -12.015 9.713 -13.608 1.00 50.33 H new ATOM 401 N GLN A 26 -12.745 10.200 -8.887 1.00 73.22 N ATOM 402 CA GLN A 26 -12.656 9.920 -7.459 1.00 14.31 C ATOM 403 C GLN A 26 -14.045 9.816 -6.837 1.00 71.01 C ATOM 404 O GLN A 26 -14.266 9.030 -5.917 1.00 72.43 O ATOM 405 CB GLN A 26 -11.849 11.012 -6.753 1.00 74.34 C ATOM 406 CG GLN A 26 -11.767 10.829 -5.247 1.00 1.35 C ATOM 407 CD GLN A 26 -10.338 10.792 -4.741 1.00 34.44 C ATOM 408 OE1 GLN A 26 -9.462 11.475 -5.270 1.00 43.23 O ATOM 409 NE2 GLN A 26 -10.096 9.991 -3.710 1.00 31.54 N ATOM 0 H GLN A 26 -12.195 11.002 -9.195 1.00 73.22 H new ATOM 0 HA GLN A 26 -12.149 8.964 -7.333 1.00 14.31 H new ATOM 0 HB2 GLN A 26 -10.840 11.030 -7.164 1.00 74.34 H new ATOM 0 HB3 GLN A 26 -12.298 11.981 -6.969 1.00 74.34 H new ATOM 0 HG2 GLN A 26 -12.301 11.642 -4.756 1.00 1.35 H new ATOM 0 HG3 GLN A 26 -12.271 9.903 -4.969 1.00 1.35 H new ATOM 0 HE21 GLN A 26 -10.853 9.442 -3.302 1.00 31.54 H new ATOM 0 HE22 GLN A 26 -9.153 9.925 -3.326 1.00 31.54 H new ATOM 418 N ASN A 27 -14.977 10.615 -7.346 1.00 14.01 N ATOM 419 CA ASN A 27 -16.345 10.613 -6.839 1.00 50.05 C ATOM 420 C ASN A 27 -16.966 9.224 -6.954 1.00 44.04 C ATOM 421 O ASN A 27 -17.910 8.892 -6.238 1.00 12.44 O ATOM 422 CB ASN A 27 -17.196 11.629 -7.605 1.00 23.15 C ATOM 423 CG ASN A 27 -17.622 12.797 -6.736 1.00 62.12 C ATOM 424 OD1 ASN A 27 -18.078 12.612 -5.608 1.00 24.14 O ATOM 425 ND2 ASN A 27 -17.475 14.008 -7.260 1.00 51.15 N ATOM 0 H ASN A 27 -14.810 11.272 -8.109 1.00 14.01 H new ATOM 0 HA ASN A 27 -16.316 10.893 -5.786 1.00 50.05 H new ATOM 0 HB2 ASN A 27 -16.631 12.002 -8.459 1.00 23.15 H new ATOM 0 HB3 ASN A 27 -18.082 11.132 -8.001 1.00 23.15 H new ATOM 0 HD21 ASN A 27 -17.745 14.832 -6.723 1.00 51.15 H new ATOM 0 HD22 ASN A 27 -17.092 14.114 -8.200 1.00 51.15 H new ATOM 432 N LYS A 28 -16.428 8.415 -7.861 1.00 22.02 N ATOM 433 CA LYS A 28 -16.926 7.061 -8.070 1.00 30.42 C ATOM 434 C LYS A 28 -16.354 6.104 -7.029 1.00 30.24 C ATOM 435 O LYS A 28 -16.863 4.998 -6.842 1.00 0.51 O ATOM 436 CB LYS A 28 -16.568 6.575 -9.476 1.00 24.30 C ATOM 437 CG LYS A 28 -16.766 7.628 -10.552 1.00 73.45 C ATOM 438 CD LYS A 28 -17.435 7.044 -11.786 1.00 44.53 C ATOM 439 CE LYS A 28 -18.918 7.378 -11.827 1.00 40.40 C ATOM 440 NZ LYS A 28 -19.259 8.249 -12.986 1.00 61.01 N ATOM 0 H LYS A 28 -15.647 8.674 -8.463 1.00 22.02 H new ATOM 0 HA LYS A 28 -18.011 7.079 -7.964 1.00 30.42 H new ATOM 0 HB2 LYS A 28 -15.528 6.250 -9.485 1.00 24.30 H new ATOM 0 HB3 LYS A 28 -17.177 5.703 -9.716 1.00 24.30 H new ATOM 0 HG2 LYS A 28 -17.374 8.442 -10.158 1.00 73.45 H new ATOM 0 HG3 LYS A 28 -15.801 8.055 -10.827 1.00 73.45 H new ATOM 0 HD2 LYS A 28 -16.949 7.431 -12.682 1.00 44.53 H new ATOM 0 HD3 LYS A 28 -17.304 5.962 -11.794 1.00 44.53 H new ATOM 0 HE2 LYS A 28 -19.496 6.456 -11.883 1.00 40.40 H new ATOM 0 HE3 LYS A 28 -19.203 7.877 -10.901 1.00 40.40 H new ATOM 0 HZ1 LYS A 28 -20.279 8.454 -12.978 1.00 61.01 H new ATOM 0 HZ2 LYS A 28 -18.726 9.140 -12.919 1.00 61.01 H new ATOM 0 HZ3 LYS A 28 -19.010 7.762 -13.871 1.00 61.01 H new ATOM 454 N ARG A 29 -15.295 6.536 -6.353 1.00 2.54 N ATOM 455 CA ARG A 29 -14.654 5.718 -5.330 1.00 74.01 C ATOM 456 C ARG A 29 -15.681 5.198 -4.328 1.00 51.21 C ATOM 457 O ARG A 29 -15.455 4.190 -3.659 1.00 35.23 O ATOM 458 CB ARG A 29 -13.578 6.524 -4.601 1.00 42.35 C ATOM 459 CG ARG A 29 -12.546 5.662 -3.894 1.00 24.13 C ATOM 460 CD ARG A 29 -11.840 6.432 -2.788 1.00 61.14 C ATOM 461 NE ARG A 29 -12.653 6.521 -1.579 1.00 1.35 N ATOM 462 CZ ARG A 29 -12.800 5.521 -0.717 1.00 14.33 C ATOM 463 NH1 ARG A 29 -12.192 4.363 -0.930 1.00 75.42 N ATOM 464 NH2 ARG A 29 -13.557 5.680 0.362 1.00 61.41 N ATOM 0 H ARG A 29 -14.862 7.449 -6.495 1.00 2.54 H new ATOM 0 HA ARG A 29 -14.187 4.865 -5.823 1.00 74.01 H new ATOM 0 HB2 ARG A 29 -13.070 7.169 -5.319 1.00 42.35 H new ATOM 0 HB3 ARG A 29 -14.057 7.176 -3.870 1.00 42.35 H new ATOM 0 HG2 ARG A 29 -13.032 4.782 -3.473 1.00 24.13 H new ATOM 0 HG3 ARG A 29 -11.812 5.305 -4.616 1.00 24.13 H new ATOM 0 HD2 ARG A 29 -10.894 5.944 -2.554 1.00 61.14 H new ATOM 0 HD3 ARG A 29 -11.602 7.436 -3.140 1.00 61.14 H new ATOM 0 HE ARG A 29 -13.135 7.399 -1.385 1.00 1.35 H new ATOM 0 HH11 ARG A 29 -11.609 4.238 -1.758 1.00 75.42 H new ATOM 0 HH12 ARG A 29 -12.307 3.597 -0.266 1.00 75.42 H new ATOM 0 HH21 ARG A 29 -14.026 6.570 0.529 1.00 61.41 H new ATOM 0 HH22 ARG A 29 -13.670 4.912 1.024 1.00 61.41 H new ATOM 478 N PHE A 30 -16.809 5.894 -4.230 1.00 73.41 N ATOM 479 CA PHE A 30 -17.870 5.503 -3.309 1.00 13.51 C ATOM 480 C PHE A 30 -18.706 4.367 -3.891 1.00 41.45 C ATOM 481 O PHE A 30 -18.823 3.298 -3.293 1.00 33.11 O ATOM 482 CB PHE A 30 -18.768 6.702 -2.994 1.00 44.20 C ATOM 483 CG PHE A 30 -19.221 6.752 -1.563 1.00 3.21 C ATOM 484 CD1 PHE A 30 -19.040 7.898 -0.805 1.00 32.22 C ATOM 485 CD2 PHE A 30 -19.827 5.653 -0.976 1.00 2.35 C ATOM 486 CE1 PHE A 30 -19.456 7.947 0.512 1.00 13.34 C ATOM 487 CE2 PHE A 30 -20.245 5.697 0.341 1.00 54.11 C ATOM 488 CZ PHE A 30 -20.059 6.845 1.086 1.00 22.02 C ATOM 0 H PHE A 30 -17.012 6.731 -4.777 1.00 73.41 H new ATOM 0 HA PHE A 30 -17.405 5.153 -2.387 1.00 13.51 H new ATOM 0 HB2 PHE A 30 -18.230 7.620 -3.229 1.00 44.20 H new ATOM 0 HB3 PHE A 30 -19.643 6.671 -3.643 1.00 44.20 H new ATOM 0 HD1 PHE A 30 -18.569 8.763 -1.249 1.00 32.22 H new ATOM 0 HD2 PHE A 30 -19.974 4.752 -1.553 1.00 2.35 H new ATOM 0 HE1 PHE A 30 -19.310 8.846 1.092 1.00 13.34 H new ATOM 0 HE2 PHE A 30 -20.717 4.834 0.787 1.00 54.11 H new ATOM 0 HZ PHE A 30 -20.384 6.881 2.115 1.00 22.02 H new ATOM 498 N PHE A 31 -19.285 4.608 -5.063 1.00 34.20 N ATOM 499 CA PHE A 31 -20.112 3.606 -5.727 1.00 2.41 C ATOM 500 C PHE A 31 -19.286 2.377 -6.094 1.00 74.31 C ATOM 501 O PHE A 31 -19.815 1.270 -6.199 1.00 44.24 O ATOM 502 CB PHE A 31 -20.755 4.197 -6.983 1.00 61.25 C ATOM 503 CG PHE A 31 -21.876 3.361 -7.532 1.00 51.31 C ATOM 504 CD1 PHE A 31 -21.649 2.465 -8.564 1.00 20.34 C ATOM 505 CD2 PHE A 31 -23.157 3.473 -7.017 1.00 14.25 C ATOM 506 CE1 PHE A 31 -22.678 1.694 -9.071 1.00 14.04 C ATOM 507 CE2 PHE A 31 -24.191 2.705 -7.519 1.00 65.11 C ATOM 508 CZ PHE A 31 -23.951 1.815 -8.548 1.00 51.31 C ATOM 0 H PHE A 31 -19.197 5.487 -5.572 1.00 34.20 H new ATOM 0 HA PHE A 31 -20.897 3.301 -5.035 1.00 2.41 H new ATOM 0 HB2 PHE A 31 -21.134 5.193 -6.753 1.00 61.25 H new ATOM 0 HB3 PHE A 31 -19.991 4.316 -7.751 1.00 61.25 H new ATOM 0 HD1 PHE A 31 -20.656 2.368 -8.977 1.00 20.34 H new ATOM 0 HD2 PHE A 31 -23.350 4.169 -6.214 1.00 14.25 H new ATOM 0 HE1 PHE A 31 -22.487 0.998 -9.875 1.00 14.04 H new ATOM 0 HE2 PHE A 31 -25.185 2.801 -7.107 1.00 65.11 H new ATOM 0 HZ PHE A 31 -24.757 1.215 -8.943 1.00 51.31 H new ATOM 518 N ALA A 32 -17.987 2.580 -6.288 1.00 75.24 N ATOM 519 CA ALA A 32 -17.088 1.489 -6.642 1.00 72.35 C ATOM 520 C ALA A 32 -16.194 1.110 -5.466 1.00 55.33 C ATOM 521 O ALA A 32 -15.240 0.348 -5.620 1.00 4.51 O ATOM 522 CB ALA A 32 -16.243 1.871 -7.848 1.00 51.44 C ATOM 0 H ALA A 32 -17.534 3.490 -6.206 1.00 75.24 H new ATOM 0 HA ALA A 32 -17.695 0.620 -6.898 1.00 72.35 H new ATOM 0 HB1 ALA A 32 -15.576 1.047 -8.101 1.00 51.44 H new ATOM 0 HB2 ALA A 32 -16.894 2.084 -8.696 1.00 51.44 H new ATOM 0 HB3 ALA A 32 -15.652 2.756 -7.613 1.00 51.44 H new ATOM 528 N ASP A 33 -16.510 1.648 -4.293 1.00 62.50 N ATOM 529 CA ASP A 33 -15.735 1.366 -3.090 1.00 71.31 C ATOM 530 C ASP A 33 -15.660 -0.136 -2.832 1.00 4.24 C ATOM 531 O ASP A 33 -14.771 -0.611 -2.125 1.00 64.50 O ATOM 532 CB ASP A 33 -16.352 2.073 -1.883 1.00 13.23 C ATOM 533 CG ASP A 33 -17.452 1.257 -1.233 1.00 74.23 C ATOM 534 OD1 ASP A 33 -17.231 0.744 -0.116 1.00 45.20 O ATOM 535 OD2 ASP A 33 -18.535 1.131 -1.842 1.00 14.02 O ATOM 0 H ASP A 33 -17.297 2.281 -4.150 1.00 62.50 H new ATOM 0 HA ASP A 33 -14.723 1.741 -3.243 1.00 71.31 H new ATOM 0 HB2 ASP A 33 -15.573 2.278 -1.148 1.00 13.23 H new ATOM 0 HB3 ASP A 33 -16.755 3.036 -2.197 1.00 13.23 H new ATOM 540 N LYS A 34 -16.599 -0.878 -3.408 1.00 30.11 N ATOM 541 CA LYS A 34 -16.640 -2.326 -3.241 1.00 53.00 C ATOM 542 C LYS A 34 -15.273 -2.944 -3.516 1.00 33.52 C ATOM 543 O LYS A 34 -14.396 -2.327 -4.120 1.00 71.11 O ATOM 544 CB LYS A 34 -17.686 -2.938 -4.176 1.00 30.23 C ATOM 545 CG LYS A 34 -19.023 -3.200 -3.504 1.00 61.41 C ATOM 546 CD LYS A 34 -20.184 -2.791 -4.394 1.00 51.15 C ATOM 547 CE LYS A 34 -21.498 -2.781 -3.628 1.00 3.12 C ATOM 548 NZ LYS A 34 -22.669 -2.939 -4.533 1.00 55.52 N ATOM 0 H LYS A 34 -17.343 -0.500 -3.995 1.00 30.11 H new ATOM 0 HA LYS A 34 -16.915 -2.540 -2.208 1.00 53.00 H new ATOM 0 HB2 LYS A 34 -17.839 -2.270 -5.023 1.00 30.23 H new ATOM 0 HB3 LYS A 34 -17.300 -3.876 -4.576 1.00 30.23 H new ATOM 0 HG2 LYS A 34 -19.107 -4.259 -3.259 1.00 61.41 H new ATOM 0 HG3 LYS A 34 -19.073 -2.650 -2.564 1.00 61.41 H new ATOM 0 HD2 LYS A 34 -19.995 -1.800 -4.807 1.00 51.15 H new ATOM 0 HD3 LYS A 34 -20.258 -3.479 -5.236 1.00 51.15 H new ATOM 0 HE2 LYS A 34 -21.496 -3.586 -2.893 1.00 3.12 H new ATOM 0 HE3 LYS A 34 -21.589 -1.846 -3.076 1.00 3.12 H new ATOM 0 HZ1 LYS A 34 -23.545 -2.927 -3.973 1.00 55.52 H new ATOM 0 HZ2 LYS A 34 -22.686 -2.157 -5.219 1.00 55.52 H new ATOM 0 HZ3 LYS A 34 -22.595 -3.843 -5.041 1.00 55.52 H new ATOM 562 N PRO A 35 -15.086 -4.193 -3.064 1.00 32.41 N ATOM 563 CA PRO A 35 -13.829 -4.923 -3.252 1.00 23.15 C ATOM 564 C PRO A 35 -13.595 -5.310 -4.708 1.00 22.22 C ATOM 565 O PRO A 35 -14.489 -5.835 -5.372 1.00 21.03 O ATOM 566 CB PRO A 35 -14.012 -6.174 -2.389 1.00 13.14 C ATOM 567 CG PRO A 35 -15.487 -6.368 -2.312 1.00 13.14 C ATOM 568 CD PRO A 35 -16.088 -4.990 -2.335 1.00 50.44 C ATOM 0 HA PRO A 35 -12.963 -4.321 -2.976 1.00 23.15 H new ATOM 0 HB2 PRO A 35 -13.522 -7.039 -2.836 1.00 13.14 H new ATOM 0 HB3 PRO A 35 -13.578 -6.039 -1.398 1.00 13.14 H new ATOM 0 HG2 PRO A 35 -15.846 -6.964 -3.151 1.00 13.14 H new ATOM 0 HG3 PRO A 35 -15.764 -6.899 -1.401 1.00 13.14 H new ATOM 0 HD2 PRO A 35 -17.054 -4.981 -2.840 1.00 50.44 H new ATOM 0 HD3 PRO A 35 -16.252 -4.606 -1.328 1.00 50.44 H new ATOM 576 N ASP A 36 -12.388 -5.048 -5.198 1.00 73.41 N ATOM 577 CA ASP A 36 -12.036 -5.371 -6.576 1.00 75.11 C ATOM 578 C ASP A 36 -10.820 -6.290 -6.625 1.00 61.23 C ATOM 579 O ASP A 36 -10.034 -6.245 -7.571 1.00 54.34 O ATOM 580 CB ASP A 36 -11.757 -4.092 -7.367 1.00 11.14 C ATOM 581 CG ASP A 36 -12.786 -3.010 -7.100 1.00 25.31 C ATOM 582 OD1 ASP A 36 -13.980 -3.244 -7.381 1.00 62.31 O ATOM 583 OD2 ASP A 36 -12.396 -1.930 -6.609 1.00 72.23 O ATOM 0 H ASP A 36 -11.637 -4.613 -4.662 1.00 73.41 H new ATOM 0 HA ASP A 36 -12.880 -5.891 -7.028 1.00 75.11 H new ATOM 0 HB2 ASP A 36 -10.766 -3.718 -7.110 1.00 11.14 H new ATOM 0 HB3 ASP A 36 -11.744 -4.322 -8.432 1.00 11.14 H new ATOM 588 N GLU A 37 -10.671 -7.122 -5.599 1.00 71.23 N ATOM 589 CA GLU A 37 -9.549 -8.050 -5.526 1.00 23.23 C ATOM 590 C GLU A 37 -8.267 -7.323 -5.129 1.00 20.42 C ATOM 591 O GLU A 37 -7.649 -7.643 -4.114 1.00 2.32 O ATOM 592 CB GLU A 37 -9.353 -8.756 -6.869 1.00 43.22 C ATOM 593 CG GLU A 37 -9.065 -10.242 -6.740 1.00 33.22 C ATOM 594 CD GLU A 37 -7.906 -10.690 -7.609 1.00 33.10 C ATOM 595 OE1 GLU A 37 -8.146 -11.030 -8.787 1.00 23.23 O ATOM 596 OE2 GLU A 37 -6.761 -10.701 -7.112 1.00 42.12 O ATOM 0 H GLU A 37 -11.313 -7.172 -4.808 1.00 71.23 H new ATOM 0 HA GLU A 37 -9.776 -8.794 -4.763 1.00 23.23 H new ATOM 0 HB2 GLU A 37 -10.248 -8.620 -7.476 1.00 43.22 H new ATOM 0 HB3 GLU A 37 -8.531 -8.280 -7.403 1.00 43.22 H new ATOM 0 HG2 GLU A 37 -8.845 -10.476 -5.698 1.00 33.22 H new ATOM 0 HG3 GLU A 37 -9.957 -10.806 -7.012 1.00 33.22 H new ATOM 603 N ALA A 38 -7.874 -6.345 -5.937 1.00 51.35 N ATOM 604 CA ALA A 38 -6.668 -5.571 -5.671 1.00 24.41 C ATOM 605 C ALA A 38 -6.653 -5.054 -4.236 1.00 61.05 C ATOM 606 O ALA A 38 -5.611 -5.041 -3.580 1.00 41.33 O ATOM 607 CB ALA A 38 -6.555 -4.414 -6.652 1.00 64.45 C ATOM 0 H ALA A 38 -8.374 -6.069 -6.782 1.00 51.35 H new ATOM 0 HA ALA A 38 -5.808 -6.228 -5.802 1.00 24.41 H new ATOM 0 HB1 ALA A 38 -5.650 -3.845 -6.441 1.00 64.45 H new ATOM 0 HB2 ALA A 38 -6.510 -4.803 -7.669 1.00 64.45 H new ATOM 0 HB3 ALA A 38 -7.424 -3.764 -6.550 1.00 64.45 H new ATOM 613 N THR A 39 -7.816 -4.627 -3.754 1.00 70.31 N ATOM 614 CA THR A 39 -7.936 -4.107 -2.398 1.00 74.11 C ATOM 615 C THR A 39 -6.859 -3.068 -2.110 1.00 52.43 C ATOM 616 O THR A 39 -6.284 -3.040 -1.021 1.00 40.45 O ATOM 617 CB THR A 39 -7.838 -5.234 -1.353 1.00 72.41 C ATOM 618 OG1 THR A 39 -6.490 -5.712 -1.272 1.00 55.44 O ATOM 619 CG2 THR A 39 -8.768 -6.384 -1.709 1.00 32.54 C ATOM 0 H THR A 39 -8.688 -4.631 -4.283 1.00 70.31 H new ATOM 0 HA THR A 39 -8.918 -3.639 -2.325 1.00 74.11 H new ATOM 0 HB THR A 39 -8.138 -4.830 -0.386 1.00 72.41 H new ATOM 0 HG1 THR A 39 -5.934 -5.234 -1.922 1.00 55.44 H new ATOM 0 HG21 THR A 39 -8.682 -7.168 -0.957 1.00 32.54 H new ATOM 0 HG22 THR A 39 -9.796 -6.024 -1.741 1.00 32.54 H new ATOM 0 HG23 THR A 39 -8.493 -6.785 -2.685 1.00 32.54 H new ATOM 627 N LEU A 40 -6.591 -2.214 -3.092 1.00 5.31 N ATOM 628 CA LEU A 40 -5.582 -1.170 -2.944 1.00 23.44 C ATOM 629 C LEU A 40 -5.791 -0.391 -1.649 1.00 42.24 C ATOM 630 O LEU A 40 -6.908 -0.299 -1.142 1.00 34.23 O ATOM 631 CB LEU A 40 -5.626 -0.217 -4.139 1.00 62.33 C ATOM 632 CG LEU A 40 -4.443 0.742 -4.277 1.00 13.34 C ATOM 633 CD1 LEU A 40 -3.215 0.006 -4.788 1.00 23.13 C ATOM 634 CD2 LEU A 40 -4.798 1.897 -5.202 1.00 13.23 C ATOM 0 H LEU A 40 -7.058 -2.224 -3.999 1.00 5.31 H new ATOM 0 HA LEU A 40 -4.603 -1.648 -2.905 1.00 23.44 H new ATOM 0 HB2 LEU A 40 -5.694 -0.812 -5.050 1.00 62.33 H new ATOM 0 HB3 LEU A 40 -6.540 0.373 -4.074 1.00 62.33 H new ATOM 0 HG LEU A 40 -4.213 1.148 -3.292 1.00 13.34 H new ATOM 0 HD11 LEU A 40 -2.384 0.705 -4.880 1.00 23.13 H new ATOM 0 HD12 LEU A 40 -2.948 -0.786 -4.088 1.00 23.13 H new ATOM 0 HD13 LEU A 40 -3.432 -0.430 -5.763 1.00 23.13 H new ATOM 0 HD21 LEU A 40 -3.945 2.569 -5.288 1.00 13.23 H new ATOM 0 HD22 LEU A 40 -5.055 1.508 -6.187 1.00 13.23 H new ATOM 0 HD23 LEU A 40 -5.649 2.442 -4.794 1.00 13.23 H new ATOM 646 N SER A 41 -4.708 0.171 -1.122 1.00 0.34 N ATOM 647 CA SER A 41 -4.772 0.942 0.114 1.00 13.25 C ATOM 648 C SER A 41 -4.966 2.427 -0.181 1.00 24.44 C ATOM 649 O SER A 41 -4.822 2.884 -1.314 1.00 50.25 O ATOM 650 CB SER A 41 -3.498 0.736 0.936 1.00 33.30 C ATOM 651 OG SER A 41 -2.700 -0.299 0.388 1.00 41.34 O ATOM 0 H SER A 41 -3.776 0.107 -1.531 1.00 0.34 H new ATOM 0 HA SER A 41 -5.628 0.589 0.689 1.00 13.25 H new ATOM 0 HB2 SER A 41 -2.926 1.664 0.965 1.00 33.30 H new ATOM 0 HB3 SER A 41 -3.761 0.491 1.965 1.00 33.30 H new ATOM 0 HG SER A 41 -1.796 0.039 0.220 1.00 41.34 H new ATOM 657 N PRO A 42 -5.300 3.198 0.865 1.00 42.04 N ATOM 658 CA PRO A 42 -5.520 4.642 0.744 1.00 1.31 C ATOM 659 C PRO A 42 -4.228 5.405 0.469 1.00 32.41 C ATOM 660 O PRO A 42 -4.199 6.634 0.524 1.00 72.55 O ATOM 661 CB PRO A 42 -6.089 5.030 2.111 1.00 22.33 C ATOM 662 CG PRO A 42 -5.572 3.990 3.045 1.00 52.01 C ATOM 663 CD PRO A 42 -5.488 2.720 2.245 1.00 61.24 C ATOM 0 HA PRO A 42 -6.177 4.885 -0.091 1.00 1.31 H new ATOM 0 HB2 PRO A 42 -5.762 6.027 2.408 1.00 22.33 H new ATOM 0 HB3 PRO A 42 -7.179 5.043 2.097 1.00 22.33 H new ATOM 0 HG2 PRO A 42 -4.594 4.269 3.437 1.00 52.01 H new ATOM 0 HG3 PRO A 42 -6.236 3.869 3.901 1.00 52.01 H new ATOM 0 HD2 PRO A 42 -4.657 2.094 2.570 1.00 61.24 H new ATOM 0 HD3 PRO A 42 -6.394 2.122 2.343 1.00 61.24 H new ATOM 671 N GLU A 43 -3.162 4.667 0.174 1.00 75.15 N ATOM 672 CA GLU A 43 -1.868 5.275 -0.110 1.00 1.45 C ATOM 673 C GLU A 43 -1.987 6.317 -1.218 1.00 11.52 C ATOM 674 O GLU A 43 -1.198 7.259 -1.286 1.00 11.41 O ATOM 675 CB GLU A 43 -0.852 4.203 -0.510 1.00 12.23 C ATOM 676 CG GLU A 43 -0.702 4.037 -2.013 1.00 14.44 C ATOM 677 CD GLU A 43 0.285 5.019 -2.612 1.00 45.13 C ATOM 678 OE1 GLU A 43 0.990 5.699 -1.837 1.00 12.30 O ATOM 679 OE2 GLU A 43 0.354 5.108 -3.856 1.00 22.41 O ATOM 0 H GLU A 43 -3.169 3.648 0.126 1.00 75.15 H new ATOM 0 HA GLU A 43 -1.523 5.772 0.797 1.00 1.45 H new ATOM 0 HB2 GLU A 43 0.118 4.456 -0.082 1.00 12.23 H new ATOM 0 HB3 GLU A 43 -1.153 3.249 -0.076 1.00 12.23 H new ATOM 0 HG2 GLU A 43 -0.376 3.020 -2.232 1.00 14.44 H new ATOM 0 HG3 GLU A 43 -1.674 4.169 -2.488 1.00 14.44 H new ATOM 686 N MET A 44 -2.979 6.140 -2.084 1.00 52.33 N ATOM 687 CA MET A 44 -3.202 7.065 -3.189 1.00 55.33 C ATOM 688 C MET A 44 -4.108 8.216 -2.761 1.00 23.12 C ATOM 689 O MET A 44 -4.099 9.286 -3.370 1.00 13.05 O ATOM 690 CB MET A 44 -3.821 6.331 -4.380 1.00 60.24 C ATOM 691 CG MET A 44 -5.128 5.628 -4.049 1.00 44.21 C ATOM 692 SD MET A 44 -6.118 5.276 -5.514 1.00 65.33 S ATOM 693 CE MET A 44 -7.654 6.093 -5.090 1.00 5.41 C ATOM 0 H MET A 44 -3.641 5.365 -2.042 1.00 52.33 H new ATOM 0 HA MET A 44 -2.237 7.476 -3.486 1.00 55.33 H new ATOM 0 HB2 MET A 44 -3.996 7.045 -5.185 1.00 60.24 H new ATOM 0 HB3 MET A 44 -3.108 5.597 -4.754 1.00 60.24 H new ATOM 0 HG2 MET A 44 -4.912 4.695 -3.528 1.00 44.21 H new ATOM 0 HG3 MET A 44 -5.707 6.249 -3.365 1.00 44.21 H new ATOM 0 HE1 MET A 44 -8.371 5.964 -5.901 1.00 5.41 H new ATOM 0 HE2 MET A 44 -8.058 5.657 -4.176 1.00 5.41 H new ATOM 0 HE3 MET A 44 -7.470 7.156 -4.934 1.00 5.41 H new ATOM 703 N LYS A 45 -4.888 7.989 -1.710 1.00 31.23 N ATOM 704 CA LYS A 45 -5.799 9.006 -1.198 1.00 40.24 C ATOM 705 C LYS A 45 -5.026 10.180 -0.605 1.00 71.23 C ATOM 706 O LYS A 45 -5.535 11.298 -0.536 1.00 35.34 O ATOM 707 CB LYS A 45 -6.726 8.405 -0.139 1.00 64.44 C ATOM 708 CG LYS A 45 -7.710 9.403 0.445 1.00 73.33 C ATOM 709 CD LYS A 45 -9.145 8.931 0.282 1.00 75.14 C ATOM 710 CE LYS A 45 -10.130 10.083 0.417 1.00 23.43 C ATOM 711 NZ LYS A 45 -11.535 9.639 0.205 1.00 33.25 N ATOM 0 H LYS A 45 -4.908 7.109 -1.195 1.00 31.23 H new ATOM 0 HA LYS A 45 -6.399 9.372 -2.031 1.00 40.24 H new ATOM 0 HB2 LYS A 45 -7.280 7.577 -0.581 1.00 64.44 H new ATOM 0 HB3 LYS A 45 -6.122 7.989 0.667 1.00 64.44 H new ATOM 0 HG2 LYS A 45 -7.493 9.553 1.503 1.00 73.33 H new ATOM 0 HG3 LYS A 45 -7.585 10.368 -0.046 1.00 73.33 H new ATOM 0 HD2 LYS A 45 -9.266 8.460 -0.694 1.00 75.14 H new ATOM 0 HD3 LYS A 45 -9.367 8.172 1.032 1.00 75.14 H new ATOM 0 HE2 LYS A 45 -10.035 10.528 1.408 1.00 23.43 H new ATOM 0 HE3 LYS A 45 -9.882 10.860 -0.306 1.00 23.43 H new ATOM 0 HZ1 LYS A 45 -12.175 10.453 0.305 1.00 33.25 H new ATOM 0 HZ2 LYS A 45 -11.632 9.238 -0.750 1.00 33.25 H new ATOM 0 HZ3 LYS A 45 -11.781 8.916 0.911 1.00 33.25 H new ATOM 725 N GLU A 46 -3.794 9.917 -0.181 1.00 1.32 N ATOM 726 CA GLU A 46 -2.952 10.953 0.405 1.00 3.34 C ATOM 727 C GLU A 46 -2.217 11.736 -0.679 1.00 71.24 C ATOM 728 O GLU A 46 -2.056 12.953 -0.581 1.00 61.35 O ATOM 729 CB GLU A 46 -1.943 10.334 1.374 1.00 24.45 C ATOM 730 CG GLU A 46 -2.472 10.183 2.791 1.00 51.33 C ATOM 731 CD GLU A 46 -1.481 9.502 3.715 1.00 74.03 C ATOM 732 OE1 GLU A 46 -1.751 8.356 4.132 1.00 73.04 O ATOM 733 OE2 GLU A 46 -0.437 10.114 4.021 1.00 51.10 O ATOM 0 H GLU A 46 -3.357 8.997 -0.232 1.00 1.32 H new ATOM 0 HA GLU A 46 -3.596 11.641 0.952 1.00 3.34 H new ATOM 0 HB2 GLU A 46 -1.647 9.354 1.000 1.00 24.45 H new ATOM 0 HB3 GLU A 46 -1.045 10.952 1.394 1.00 24.45 H new ATOM 0 HG2 GLU A 46 -2.718 11.167 3.190 1.00 51.33 H new ATOM 0 HG3 GLU A 46 -3.398 9.608 2.770 1.00 51.33 H new ATOM 740 N HIS A 47 -1.773 11.028 -1.713 1.00 51.24 N ATOM 741 CA HIS A 47 -1.055 11.656 -2.817 1.00 73.43 C ATOM 742 C HIS A 47 -2.020 12.386 -3.747 1.00 63.21 C ATOM 743 O HIS A 47 -1.767 13.520 -4.154 1.00 5.14 O ATOM 744 CB HIS A 47 -0.267 10.607 -3.603 1.00 32.24 C ATOM 745 CG HIS A 47 0.905 11.171 -4.346 1.00 33.55 C ATOM 746 ND1 HIS A 47 2.209 10.817 -4.073 1.00 64.21 N ATOM 747 CD2 HIS A 47 0.963 12.067 -5.358 1.00 61.11 C ATOM 748 CE1 HIS A 47 3.020 11.473 -4.885 1.00 34.42 C ATOM 749 NE2 HIS A 47 2.288 12.238 -5.675 1.00 22.31 N ATOM 0 H HIS A 47 -1.898 10.020 -1.809 1.00 51.24 H new ATOM 0 HA HIS A 47 -0.360 12.384 -2.399 1.00 73.43 H new ATOM 0 HB2 HIS A 47 0.085 9.838 -2.915 1.00 32.24 H new ATOM 0 HB3 HIS A 47 -0.935 10.118 -4.312 1.00 32.24 H new ATOM 0 HD1 HIS A 47 2.502 10.153 -3.357 1.00 64.21 H new ATOM 0 HD2 HIS A 47 0.123 12.557 -5.829 1.00 61.11 H new ATOM 0 HE1 HIS A 47 4.097 11.397 -4.900 1.00 34.42 H new ATOM 757 N TYR A 48 -3.125 11.728 -4.080 1.00 44.13 N ATOM 758 CA TYR A 48 -4.125 12.313 -4.965 1.00 12.43 C ATOM 759 C TYR A 48 -4.554 13.690 -4.466 1.00 53.03 C ATOM 760 O TYR A 48 -5.026 14.523 -5.240 1.00 65.42 O ATOM 761 CB TYR A 48 -5.343 11.394 -5.070 1.00 54.30 C ATOM 762 CG TYR A 48 -5.193 10.307 -6.110 1.00 32.24 C ATOM 763 CD1 TYR A 48 -6.307 9.754 -6.731 1.00 24.24 C ATOM 764 CD2 TYR A 48 -3.939 9.831 -6.470 1.00 44.33 C ATOM 765 CE1 TYR A 48 -6.175 8.759 -7.680 1.00 45.55 C ATOM 766 CE2 TYR A 48 -3.797 8.838 -7.420 1.00 41.42 C ATOM 767 CZ TYR A 48 -4.918 8.306 -8.022 1.00 63.52 C ATOM 768 OH TYR A 48 -4.781 7.315 -8.968 1.00 1.31 O ATOM 0 H TYR A 48 -3.351 10.789 -3.750 1.00 44.13 H new ATOM 0 HA TYR A 48 -3.678 12.427 -5.953 1.00 12.43 H new ATOM 0 HB2 TYR A 48 -5.525 10.934 -4.099 1.00 54.30 H new ATOM 0 HB3 TYR A 48 -6.221 11.994 -5.308 1.00 54.30 H new ATOM 0 HD1 TYR A 48 -7.292 10.108 -6.467 1.00 24.24 H new ATOM 0 HD2 TYR A 48 -3.059 10.244 -5.999 1.00 44.33 H new ATOM 0 HE1 TYR A 48 -7.051 8.338 -8.151 1.00 45.55 H new ATOM 0 HE2 TYR A 48 -2.814 8.481 -7.690 1.00 41.42 H new ATOM 0 HH TYR A 48 -3.951 7.454 -9.470 1.00 1.31 H new ATOM 778 N GLU A 49 -4.386 13.921 -3.168 1.00 35.00 N ATOM 779 CA GLU A 49 -4.756 15.196 -2.566 1.00 14.35 C ATOM 780 C GLU A 49 -3.987 16.346 -3.210 1.00 73.01 C ATOM 781 O GLU A 49 -4.388 17.506 -3.117 1.00 14.32 O ATOM 782 CB GLU A 49 -4.489 15.171 -1.059 1.00 71.32 C ATOM 783 CG GLU A 49 -5.669 15.639 -0.224 1.00 22.33 C ATOM 784 CD GLU A 49 -5.592 15.162 1.214 1.00 64.54 C ATOM 785 OE1 GLU A 49 -5.222 13.988 1.429 1.00 13.13 O ATOM 786 OE2 GLU A 49 -5.901 15.960 2.122 1.00 5.51 O ATOM 0 H GLU A 49 -3.996 13.242 -2.514 1.00 35.00 H new ATOM 0 HA GLU A 49 -5.821 15.353 -2.737 1.00 14.35 H new ATOM 0 HB2 GLU A 49 -4.224 14.156 -0.762 1.00 71.32 H new ATOM 0 HB3 GLU A 49 -3.627 15.802 -0.841 1.00 71.32 H new ATOM 0 HG2 GLU A 49 -5.711 16.728 -0.240 1.00 22.33 H new ATOM 0 HG3 GLU A 49 -6.594 15.277 -0.674 1.00 22.33 H new ATOM 793 N LYS A 50 -2.879 16.015 -3.864 1.00 50.21 N ATOM 794 CA LYS A 50 -2.052 17.018 -4.526 1.00 34.24 C ATOM 795 C LYS A 50 -2.543 17.276 -5.947 1.00 11.35 C ATOM 796 O LYS A 50 -2.281 18.333 -6.522 1.00 64.41 O ATOM 797 CB LYS A 50 -0.591 16.565 -4.554 1.00 3.30 C ATOM 798 CG LYS A 50 0.378 17.604 -4.017 1.00 2.52 C ATOM 799 CD LYS A 50 1.792 17.054 -3.925 1.00 53.44 C ATOM 800 CE LYS A 50 2.691 17.646 -5.000 1.00 53.20 C ATOM 801 NZ LYS A 50 4.085 17.839 -4.513 1.00 15.44 N ATOM 0 H LYS A 50 -2.532 15.060 -3.950 1.00 50.21 H new ATOM 0 HA LYS A 50 -2.127 17.947 -3.960 1.00 34.24 H new ATOM 0 HB2 LYS A 50 -0.491 15.651 -3.969 1.00 3.30 H new ATOM 0 HB3 LYS A 50 -0.315 16.319 -5.579 1.00 3.30 H new ATOM 0 HG2 LYS A 50 0.369 18.480 -4.665 1.00 2.52 H new ATOM 0 HG3 LYS A 50 0.050 17.933 -3.031 1.00 2.52 H new ATOM 0 HD2 LYS A 50 2.206 17.274 -2.941 1.00 53.44 H new ATOM 0 HD3 LYS A 50 1.769 15.969 -4.025 1.00 53.44 H new ATOM 0 HE2 LYS A 50 2.698 16.989 -5.870 1.00 53.20 H new ATOM 0 HE3 LYS A 50 2.285 18.603 -5.327 1.00 53.20 H new ATOM 0 HZ1 LYS A 50 4.666 18.244 -5.275 1.00 15.44 H new ATOM 0 HZ2 LYS A 50 4.082 18.486 -3.699 1.00 15.44 H new ATOM 0 HZ3 LYS A 50 4.482 16.922 -4.225 1.00 15.44 H new ATOM 815 N PHE A 51 -3.258 16.306 -6.506 1.00 50.04 N ATOM 816 CA PHE A 51 -3.786 16.429 -7.860 1.00 51.31 C ATOM 817 C PHE A 51 -5.100 17.204 -7.863 1.00 15.43 C ATOM 818 O PHE A 51 -5.380 17.969 -8.786 1.00 22.43 O ATOM 819 CB PHE A 51 -3.996 15.045 -8.476 1.00 73.43 C ATOM 820 CG PHE A 51 -3.319 14.871 -9.806 1.00 15.11 C ATOM 821 CD1 PHE A 51 -2.145 14.144 -9.911 1.00 20.44 C ATOM 822 CD2 PHE A 51 -3.858 15.436 -10.951 1.00 4.00 C ATOM 823 CE1 PHE A 51 -1.520 13.982 -11.133 1.00 23.34 C ATOM 824 CE2 PHE A 51 -3.237 15.277 -12.176 1.00 11.13 C ATOM 825 CZ PHE A 51 -2.066 14.550 -12.266 1.00 51.25 C ATOM 0 H PHE A 51 -3.485 15.426 -6.043 1.00 50.04 H new ATOM 0 HA PHE A 51 -3.059 16.979 -8.458 1.00 51.31 H new ATOM 0 HB2 PHE A 51 -3.623 14.289 -7.786 1.00 73.43 H new ATOM 0 HB3 PHE A 51 -5.065 14.868 -8.596 1.00 73.43 H new ATOM 0 HD1 PHE A 51 -1.713 13.698 -9.027 1.00 20.44 H new ATOM 0 HD2 PHE A 51 -4.773 16.006 -10.886 1.00 4.00 H new ATOM 0 HE1 PHE A 51 -0.605 13.412 -11.201 1.00 23.34 H new ATOM 0 HE2 PHE A 51 -3.667 15.721 -13.062 1.00 11.13 H new ATOM 0 HZ PHE A 51 -1.578 14.426 -13.222 1.00 51.25 H new ATOM 835 N GLU A 52 -5.903 17.000 -6.823 1.00 11.11 N ATOM 836 CA GLU A 52 -7.189 17.679 -6.706 1.00 64.41 C ATOM 837 C GLU A 52 -7.009 19.194 -6.741 1.00 32.44 C ATOM 838 O GLU A 52 -7.909 19.928 -7.149 1.00 51.00 O ATOM 839 CB GLU A 52 -7.892 17.267 -5.411 1.00 70.33 C ATOM 840 CG GLU A 52 -7.077 17.547 -4.160 1.00 62.20 C ATOM 841 CD GLU A 52 -7.932 17.615 -2.910 1.00 21.44 C ATOM 842 OE1 GLU A 52 -8.537 16.583 -2.549 1.00 54.51 O ATOM 843 OE2 GLU A 52 -7.996 18.698 -2.292 1.00 70.01 O ATOM 0 H GLU A 52 -5.686 16.371 -6.050 1.00 11.11 H new ATOM 0 HA GLU A 52 -7.806 17.384 -7.555 1.00 64.41 H new ATOM 0 HB2 GLU A 52 -8.843 17.795 -5.340 1.00 70.33 H new ATOM 0 HB3 GLU A 52 -8.121 16.202 -5.455 1.00 70.33 H new ATOM 0 HG2 GLU A 52 -6.325 16.768 -4.039 1.00 62.20 H new ATOM 0 HG3 GLU A 52 -6.543 18.489 -4.282 1.00 62.20 H new ATOM 850 N LYS A 53 -5.841 19.655 -6.308 1.00 44.13 N ATOM 851 CA LYS A 53 -5.540 21.082 -6.289 1.00 75.24 C ATOM 852 C LYS A 53 -5.202 21.585 -7.689 1.00 55.30 C ATOM 853 O LYS A 53 -5.300 22.780 -7.969 1.00 60.42 O ATOM 854 CB LYS A 53 -4.376 21.366 -5.338 1.00 43.34 C ATOM 855 CG LYS A 53 -4.735 21.205 -3.871 1.00 61.05 C ATOM 856 CD LYS A 53 -3.505 20.931 -3.023 1.00 65.20 C ATOM 857 CE LYS A 53 -3.151 22.126 -2.151 1.00 70.12 C ATOM 858 NZ LYS A 53 -1.747 22.058 -1.660 1.00 1.11 N ATOM 0 H LYS A 53 -5.086 19.061 -5.965 1.00 44.13 H new ATOM 0 HA LYS A 53 -6.426 21.610 -5.936 1.00 75.24 H new ATOM 0 HB2 LYS A 53 -3.551 20.695 -5.577 1.00 43.34 H new ATOM 0 HB3 LYS A 53 -4.020 22.382 -5.507 1.00 43.34 H new ATOM 0 HG2 LYS A 53 -5.229 22.109 -3.515 1.00 61.05 H new ATOM 0 HG3 LYS A 53 -5.446 20.387 -3.757 1.00 61.05 H new ATOM 0 HD2 LYS A 53 -3.683 20.060 -2.393 1.00 65.20 H new ATOM 0 HD3 LYS A 53 -2.662 20.689 -3.670 1.00 65.20 H new ATOM 0 HE2 LYS A 53 -3.293 23.045 -2.720 1.00 70.12 H new ATOM 0 HE3 LYS A 53 -3.831 22.169 -1.301 1.00 70.12 H new ATOM 0 HZ1 LYS A 53 -1.545 22.890 -1.070 1.00 1.11 H new ATOM 0 HZ2 LYS A 53 -1.618 21.194 -1.096 1.00 1.11 H new ATOM 0 HZ3 LYS A 53 -1.096 22.043 -2.471 1.00 1.11 H new ATOM 872 N MET A 54 -4.806 20.667 -8.564 1.00 34.42 N ATOM 873 CA MET A 54 -4.457 21.018 -9.935 1.00 41.33 C ATOM 874 C MET A 54 -5.696 21.033 -10.825 1.00 43.22 C ATOM 875 O MET A 54 -5.860 21.923 -11.660 1.00 73.04 O ATOM 876 CB MET A 54 -3.427 20.032 -10.491 1.00 14.33 C ATOM 877 CG MET A 54 -2.051 20.644 -10.699 1.00 74.43 C ATOM 878 SD MET A 54 -2.050 21.939 -11.954 1.00 24.33 S ATOM 879 CE MET A 54 -0.330 21.923 -12.454 1.00 61.02 C ATOM 0 H MET A 54 -4.719 19.674 -8.348 1.00 34.42 H new ATOM 0 HA MET A 54 -4.024 22.018 -9.928 1.00 41.33 H new ATOM 0 HB2 MET A 54 -3.340 19.186 -9.809 1.00 14.33 H new ATOM 0 HB3 MET A 54 -3.788 19.639 -11.441 1.00 14.33 H new ATOM 0 HG2 MET A 54 -1.695 21.057 -9.755 1.00 74.43 H new ATOM 0 HG3 MET A 54 -1.350 19.862 -10.989 1.00 74.43 H new ATOM 0 HE1 MET A 54 -0.169 22.673 -13.229 1.00 61.02 H new ATOM 0 HE2 MET A 54 0.301 22.148 -11.594 1.00 61.02 H new ATOM 0 HE3 MET A 54 -0.074 20.938 -12.844 1.00 61.02 H new ATOM 889 N ILE A 55 -6.563 20.043 -10.641 1.00 42.42 N ATOM 890 CA ILE A 55 -7.786 19.944 -11.427 1.00 53.42 C ATOM 891 C ILE A 55 -8.640 21.199 -11.276 1.00 31.23 C ATOM 892 O ILE A 55 -9.168 21.723 -12.256 1.00 14.23 O ATOM 893 CB ILE A 55 -8.621 18.717 -11.017 1.00 61.55 C ATOM 894 CG1 ILE A 55 -9.969 18.724 -11.742 1.00 23.03 C ATOM 895 CG2 ILE A 55 -8.824 18.693 -9.510 1.00 4.01 C ATOM 896 CD1 ILE A 55 -10.403 17.358 -12.224 1.00 32.43 C ATOM 0 H ILE A 55 -6.441 19.298 -9.955 1.00 42.42 H new ATOM 0 HA ILE A 55 -7.483 19.836 -12.469 1.00 53.42 H new ATOM 0 HB ILE A 55 -8.080 17.816 -11.305 1.00 61.55 H new ATOM 0 HG12 ILE A 55 -10.731 19.123 -11.072 1.00 23.03 H new ATOM 0 HG13 ILE A 55 -9.910 19.400 -12.595 1.00 23.03 H new ATOM 0 HG21 ILE A 55 -9.416 17.820 -9.236 1.00 4.01 H new ATOM 0 HG22 ILE A 55 -7.855 18.645 -9.013 1.00 4.01 H new ATOM 0 HG23 ILE A 55 -9.347 19.598 -9.199 1.00 4.01 H new ATOM 0 HD11 ILE A 55 -11.366 17.439 -12.728 1.00 32.43 H new ATOM 0 HD12 ILE A 55 -9.661 16.965 -12.919 1.00 32.43 H new ATOM 0 HD13 ILE A 55 -10.495 16.684 -11.372 1.00 32.43 H new ATOM 908 N GLN A 56 -8.769 21.675 -10.042 1.00 4.04 N ATOM 909 CA GLN A 56 -9.557 22.869 -9.762 1.00 54.13 C ATOM 910 C GLN A 56 -8.760 24.132 -10.068 1.00 5.40 C ATOM 911 O GLN A 56 -9.322 25.222 -10.174 1.00 63.32 O ATOM 912 CB GLN A 56 -10.009 22.878 -8.301 1.00 23.32 C ATOM 913 CG GLN A 56 -11.517 22.962 -8.130 1.00 42.31 C ATOM 914 CD GLN A 56 -11.984 22.426 -6.791 1.00 63.13 C ATOM 915 OE1 GLN A 56 -12.838 21.541 -6.728 1.00 11.54 O ATOM 916 NE2 GLN A 56 -11.424 22.959 -5.712 1.00 2.32 N ATOM 0 H GLN A 56 -8.338 21.252 -9.220 1.00 4.04 H new ATOM 0 HA GLN A 56 -10.436 22.851 -10.406 1.00 54.13 H new ATOM 0 HB2 GLN A 56 -9.646 21.974 -7.812 1.00 23.32 H new ATOM 0 HB3 GLN A 56 -9.547 23.723 -7.792 1.00 23.32 H new ATOM 0 HG2 GLN A 56 -11.833 24.000 -8.231 1.00 42.31 H new ATOM 0 HG3 GLN A 56 -12.001 22.402 -8.930 1.00 42.31 H new ATOM 0 HE21 GLN A 56 -10.720 23.690 -5.811 1.00 2.32 H new ATOM 0 HE22 GLN A 56 -11.698 22.637 -4.784 1.00 2.32 H new ATOM 925 N GLU A 57 -7.447 23.978 -10.208 1.00 25.13 N ATOM 926 CA GLU A 57 -6.572 25.108 -10.500 1.00 20.51 C ATOM 927 C GLU A 57 -6.663 25.499 -11.972 1.00 4.20 C ATOM 928 O GLU A 57 -6.869 26.667 -12.304 1.00 1.13 O ATOM 929 CB GLU A 57 -5.124 24.767 -10.140 1.00 34.13 C ATOM 930 CG GLU A 57 -4.641 25.435 -8.863 1.00 54.14 C ATOM 931 CD GLU A 57 -4.018 26.794 -9.116 1.00 51.12 C ATOM 932 OE1 GLU A 57 -3.334 26.949 -10.150 1.00 12.43 O ATOM 933 OE2 GLU A 57 -4.214 27.702 -8.281 1.00 62.24 O ATOM 0 H GLU A 57 -6.966 23.082 -10.124 1.00 25.13 H new ATOM 0 HA GLU A 57 -6.899 25.954 -9.896 1.00 20.51 H new ATOM 0 HB2 GLU A 57 -5.030 23.686 -10.033 1.00 34.13 H new ATOM 0 HB3 GLU A 57 -4.474 25.063 -10.963 1.00 34.13 H new ATOM 0 HG2 GLU A 57 -5.480 25.546 -8.176 1.00 54.14 H new ATOM 0 HG3 GLU A 57 -3.911 24.790 -8.374 1.00 54.14 H new ATOM 940 N HIS A 58 -6.506 24.514 -12.851 1.00 53.40 N ATOM 941 CA HIS A 58 -6.570 24.755 -14.288 1.00 53.22 C ATOM 942 C HIS A 58 -6.011 23.566 -15.064 1.00 11.23 C ATOM 943 O HIS A 58 -5.362 23.734 -16.097 1.00 0.43 O ATOM 944 CB HIS A 58 -5.797 26.024 -14.649 1.00 62.31 C ATOM 945 CG HIS A 58 -6.674 27.156 -15.088 1.00 30.33 C ATOM 946 ND1 HIS A 58 -7.697 27.005 -16.000 1.00 40.31 N ATOM 947 CD2 HIS A 58 -6.678 28.462 -14.733 1.00 23.25 C ATOM 948 CE1 HIS A 58 -8.291 28.170 -16.188 1.00 42.24 C ATOM 949 NE2 HIS A 58 -7.692 29.071 -15.430 1.00 65.25 N ATOM 0 H HIS A 58 -6.334 23.542 -12.593 1.00 53.40 H new ATOM 0 HA HIS A 58 -7.617 24.886 -14.563 1.00 53.22 H new ATOM 0 HB2 HIS A 58 -5.213 26.342 -13.785 1.00 62.31 H new ATOM 0 HB3 HIS A 58 -5.089 25.794 -15.445 1.00 62.31 H new ATOM 0 HD2 HIS A 58 -6.008 28.937 -14.032 1.00 23.25 H new ATOM 0 HE1 HIS A 58 -9.125 28.354 -16.849 1.00 42.24 H new ATOM 0 HE2 HIS A 58 -7.942 30.058 -15.372 1.00 65.25 H new ATOM 957 N THR A 59 -6.266 22.363 -14.558 1.00 53.25 N ATOM 958 CA THR A 59 -5.787 21.147 -15.202 1.00 71.41 C ATOM 959 C THR A 59 -6.746 20.689 -16.295 1.00 62.42 C ATOM 960 O THR A 59 -6.328 20.109 -17.298 1.00 1.12 O ATOM 961 CB THR A 59 -5.606 20.006 -14.183 1.00 21.10 C ATOM 962 OG1 THR A 59 -4.232 19.604 -14.136 1.00 52.42 O ATOM 963 CG2 THR A 59 -6.476 18.812 -14.546 1.00 53.32 C ATOM 0 H THR A 59 -6.801 22.206 -13.704 1.00 53.25 H new ATOM 0 HA THR A 59 -4.821 21.385 -15.647 1.00 71.41 H new ATOM 0 HB THR A 59 -5.911 20.373 -13.203 1.00 21.10 H new ATOM 0 HG1 THR A 59 -3.726 20.234 -13.581 1.00 52.42 H new ATOM 0 HG21 THR A 59 -6.331 18.019 -13.812 1.00 53.32 H new ATOM 0 HG22 THR A 59 -7.523 19.113 -14.552 1.00 53.32 H new ATOM 0 HG23 THR A 59 -6.198 18.446 -15.534 1.00 53.32 H new ATOM 971 N ASP A 60 -8.032 20.952 -16.096 1.00 14.53 N ATOM 972 CA ASP A 60 -9.051 20.569 -17.066 1.00 70.31 C ATOM 973 C ASP A 60 -8.670 21.036 -18.467 1.00 70.15 C ATOM 974 O ASP A 60 -9.014 20.397 -19.462 1.00 31.31 O ATOM 975 CB ASP A 60 -10.408 21.154 -16.671 1.00 70.54 C ATOM 976 CG ASP A 60 -10.553 22.606 -17.080 1.00 55.14 C ATOM 977 OD1 ASP A 60 -9.704 23.426 -16.672 1.00 31.21 O ATOM 978 OD2 ASP A 60 -11.516 22.923 -17.810 1.00 11.13 O ATOM 0 H ASP A 60 -8.394 21.430 -15.271 1.00 14.53 H new ATOM 0 HA ASP A 60 -9.121 19.481 -17.072 1.00 70.31 H new ATOM 0 HB2 ASP A 60 -11.202 20.568 -17.134 1.00 70.54 H new ATOM 0 HB3 ASP A 60 -10.537 21.069 -15.592 1.00 70.54 H new ATOM 983 N LYS A 61 -7.958 22.156 -18.539 1.00 73.41 N ATOM 984 CA LYS A 61 -7.530 22.710 -19.818 1.00 24.22 C ATOM 985 C LYS A 61 -6.241 22.046 -20.294 1.00 55.01 C ATOM 986 O LYS A 61 -6.071 21.781 -21.484 1.00 51.44 O ATOM 987 CB LYS A 61 -7.323 24.221 -19.698 1.00 40.43 C ATOM 988 CG LYS A 61 -6.873 24.878 -20.992 1.00 73.11 C ATOM 989 CD LYS A 61 -7.072 26.384 -20.952 1.00 33.23 C ATOM 990 CE LYS A 61 -8.548 26.752 -20.977 1.00 62.11 C ATOM 991 NZ LYS A 61 -8.947 27.529 -19.771 1.00 24.42 N ATOM 0 H LYS A 61 -7.665 22.698 -17.726 1.00 73.41 H new ATOM 0 HA LYS A 61 -8.312 22.513 -20.551 1.00 24.22 H new ATOM 0 HB2 LYS A 61 -8.255 24.682 -19.371 1.00 40.43 H new ATOM 0 HB3 LYS A 61 -6.581 24.417 -18.924 1.00 40.43 H new ATOM 0 HG2 LYS A 61 -5.821 24.654 -21.168 1.00 73.11 H new ATOM 0 HG3 LYS A 61 -7.433 24.458 -21.828 1.00 73.11 H new ATOM 0 HD2 LYS A 61 -6.610 26.789 -20.052 1.00 33.23 H new ATOM 0 HD3 LYS A 61 -6.567 26.842 -21.803 1.00 33.23 H new ATOM 0 HE2 LYS A 61 -8.761 27.336 -21.872 1.00 62.11 H new ATOM 0 HE3 LYS A 61 -9.148 25.844 -21.039 1.00 62.11 H new ATOM 0 HZ1 LYS A 61 -9.959 27.760 -19.826 1.00 24.42 H new ATOM 0 HZ2 LYS A 61 -8.767 26.962 -18.918 1.00 24.42 H new ATOM 0 HZ3 LYS A 61 -8.393 28.408 -19.726 1.00 24.42 H new ATOM 1005 N PHE A 62 -5.338 21.778 -19.357 1.00 42.23 N ATOM 1006 CA PHE A 62 -4.065 21.145 -19.682 1.00 31.44 C ATOM 1007 C PHE A 62 -4.280 19.724 -20.196 1.00 52.32 C ATOM 1008 O PHE A 62 -3.622 19.288 -21.139 1.00 44.23 O ATOM 1009 CB PHE A 62 -3.155 21.121 -18.452 1.00 2.20 C ATOM 1010 CG PHE A 62 -1.708 21.369 -18.772 1.00 74.31 C ATOM 1011 CD1 PHE A 62 -1.303 22.574 -19.322 1.00 53.12 C ATOM 1012 CD2 PHE A 62 -0.754 20.396 -18.523 1.00 62.34 C ATOM 1013 CE1 PHE A 62 0.027 22.805 -19.618 1.00 0.43 C ATOM 1014 CE2 PHE A 62 0.578 20.621 -18.816 1.00 51.34 C ATOM 1015 CZ PHE A 62 0.969 21.827 -19.365 1.00 54.13 C ATOM 0 H PHE A 62 -5.464 21.989 -18.367 1.00 42.23 H new ATOM 0 HA PHE A 62 -3.587 21.729 -20.468 1.00 31.44 H new ATOM 0 HB2 PHE A 62 -3.496 21.875 -17.743 1.00 2.20 H new ATOM 0 HB3 PHE A 62 -3.249 20.153 -17.959 1.00 2.20 H new ATOM 0 HD1 PHE A 62 -2.035 23.342 -19.522 1.00 53.12 H new ATOM 0 HD2 PHE A 62 -1.054 19.451 -18.095 1.00 62.34 H new ATOM 0 HE1 PHE A 62 0.329 23.749 -20.047 1.00 0.43 H new ATOM 0 HE2 PHE A 62 1.312 19.855 -18.616 1.00 51.34 H new ATOM 0 HZ PHE A 62 2.009 22.005 -19.596 1.00 54.13 H new ATOM 1025 N ASN A 63 -5.207 19.008 -19.568 1.00 60.23 N ATOM 1026 CA ASN A 63 -5.509 17.636 -19.961 1.00 41.22 C ATOM 1027 C ASN A 63 -5.795 17.549 -21.457 1.00 54.42 C ATOM 1028 O ASN A 63 -5.594 16.507 -22.080 1.00 72.50 O ATOM 1029 CB ASN A 63 -6.707 17.109 -19.170 1.00 34.14 C ATOM 1030 CG ASN A 63 -6.689 15.599 -19.030 1.00 73.14 C ATOM 1031 OD1 ASN A 63 -6.716 15.066 -17.921 1.00 4.32 O ATOM 1032 ND2 ASN A 63 -6.644 14.901 -20.160 1.00 2.45 N ATOM 0 H ASN A 63 -5.762 19.355 -18.785 1.00 60.23 H new ATOM 0 HA ASN A 63 -4.637 17.021 -19.740 1.00 41.22 H new ATOM 0 HB2 ASN A 63 -6.713 17.563 -18.179 1.00 34.14 H new ATOM 0 HB3 ASN A 63 -7.629 17.414 -19.666 1.00 34.14 H new ATOM 0 HD21 ASN A 63 -6.631 13.882 -20.130 1.00 2.45 H new ATOM 0 HD22 ASN A 63 -6.623 15.385 -21.058 1.00 2.45 H new ATOM 1039 N LYS A 64 -6.266 18.653 -22.029 1.00 31.32 N ATOM 1040 CA LYS A 64 -6.579 18.704 -23.452 1.00 30.10 C ATOM 1041 C LYS A 64 -5.312 18.884 -24.282 1.00 23.24 C ATOM 1042 O LYS A 64 -5.223 18.402 -25.411 1.00 61.21 O ATOM 1043 CB LYS A 64 -7.556 19.846 -23.740 1.00 10.24 C ATOM 1044 CG LYS A 64 -8.969 19.377 -24.042 1.00 24.24 C ATOM 1045 CD LYS A 64 -9.999 20.424 -23.655 1.00 0.52 C ATOM 1046 CE LYS A 64 -10.741 20.034 -22.386 1.00 55.20 C ATOM 1047 NZ LYS A 64 -11.608 21.139 -21.888 1.00 65.42 N ATOM 0 H LYS A 64 -6.439 19.524 -21.528 1.00 31.32 H new ATOM 0 HA LYS A 64 -7.043 17.758 -23.730 1.00 30.10 H new ATOM 0 HB2 LYS A 64 -7.581 20.517 -22.881 1.00 10.24 H new ATOM 0 HB3 LYS A 64 -7.186 20.425 -24.586 1.00 10.24 H new ATOM 0 HG2 LYS A 64 -9.059 19.152 -25.105 1.00 24.24 H new ATOM 0 HG3 LYS A 64 -9.169 18.451 -23.502 1.00 24.24 H new ATOM 0 HD2 LYS A 64 -9.505 21.385 -23.508 1.00 0.52 H new ATOM 0 HD3 LYS A 64 -10.712 20.553 -24.469 1.00 0.52 H new ATOM 0 HE2 LYS A 64 -11.352 19.152 -22.579 1.00 55.20 H new ATOM 0 HE3 LYS A 64 -10.022 19.761 -21.614 1.00 55.20 H new ATOM 0 HZ1 LYS A 64 -12.096 20.834 -21.022 1.00 65.42 H new ATOM 0 HZ2 LYS A 64 -11.022 21.973 -21.680 1.00 65.42 H new ATOM 0 HZ3 LYS A 64 -12.311 21.383 -22.614 1.00 65.42 H new ATOM 1061 N LYS A 65 -4.332 19.579 -23.714 1.00 12.20 N ATOM 1062 CA LYS A 65 -3.068 19.821 -24.399 1.00 71.22 C ATOM 1063 C LYS A 65 -2.131 18.627 -24.248 1.00 44.13 C ATOM 1064 O LYS A 65 -1.612 18.105 -25.235 1.00 4.25 O ATOM 1065 CB LYS A 65 -2.398 21.082 -23.848 1.00 73.41 C ATOM 1066 CG LYS A 65 -3.383 22.131 -23.362 1.00 74.25 C ATOM 1067 CD LYS A 65 -4.352 22.536 -24.460 1.00 54.53 C ATOM 1068 CE LYS A 65 -4.534 24.046 -24.514 1.00 31.32 C ATOM 1069 NZ LYS A 65 -5.937 24.424 -24.838 1.00 14.32 N ATOM 0 H LYS A 65 -4.389 19.985 -22.780 1.00 12.20 H new ATOM 0 HA LYS A 65 -3.279 19.964 -25.459 1.00 71.22 H new ATOM 0 HB2 LYS A 65 -1.741 20.804 -23.024 1.00 73.41 H new ATOM 0 HB3 LYS A 65 -1.769 21.518 -24.624 1.00 73.41 H new ATOM 0 HG2 LYS A 65 -3.940 21.742 -22.509 1.00 74.25 H new ATOM 0 HG3 LYS A 65 -2.839 23.009 -23.013 1.00 74.25 H new ATOM 0 HD2 LYS A 65 -3.984 22.178 -25.422 1.00 54.53 H new ATOM 0 HD3 LYS A 65 -5.317 22.058 -24.290 1.00 54.53 H new ATOM 0 HE2 LYS A 65 -4.253 24.480 -23.554 1.00 31.32 H new ATOM 0 HE3 LYS A 65 -3.862 24.466 -25.263 1.00 31.32 H new ATOM 0 HZ1 LYS A 65 -6.020 25.460 -24.865 1.00 14.32 H new ATOM 0 HZ2 LYS A 65 -6.197 24.031 -25.765 1.00 14.32 H new ATOM 0 HZ3 LYS A 65 -6.576 24.045 -24.110 1.00 14.32 H new ATOM 1083 N MET A 66 -1.920 18.199 -23.008 1.00 4.32 N ATOM 1084 CA MET A 66 -1.047 17.065 -22.729 1.00 65.12 C ATOM 1085 C MET A 66 -1.666 15.765 -23.234 1.00 3.51 C ATOM 1086 O MET A 66 -1.009 14.725 -23.264 1.00 62.31 O ATOM 1087 CB MET A 66 -0.771 16.963 -21.228 1.00 20.22 C ATOM 1088 CG MET A 66 0.402 17.812 -20.766 1.00 64.31 C ATOM 1089 SD MET A 66 1.926 16.861 -20.604 1.00 42.44 S ATOM 1090 CE MET A 66 2.997 17.744 -21.736 1.00 44.33 C ATOM 0 H MET A 66 -2.342 18.620 -22.180 1.00 4.32 H new ATOM 0 HA MET A 66 -0.105 17.226 -23.254 1.00 65.12 H new ATOM 0 HB2 MET A 66 -1.665 17.265 -20.681 1.00 20.22 H new ATOM 0 HB3 MET A 66 -0.578 15.921 -20.973 1.00 20.22 H new ATOM 0 HG2 MET A 66 0.559 18.625 -21.475 1.00 64.31 H new ATOM 0 HG3 MET A 66 0.159 18.269 -19.806 1.00 64.31 H new ATOM 0 HE1 MET A 66 3.981 17.274 -21.747 1.00 44.33 H new ATOM 0 HE2 MET A 66 2.570 17.715 -22.738 1.00 44.33 H new ATOM 0 HE3 MET A 66 3.093 18.780 -21.412 1.00 44.33 H new ATOM 1100 N ARG A 67 -2.933 15.833 -23.629 1.00 1.31 N ATOM 1101 CA ARG A 67 -3.640 14.662 -24.131 1.00 35.53 C ATOM 1102 C ARG A 67 -2.915 14.061 -25.331 1.00 41.12 C ATOM 1103 O ARG A 67 -3.113 12.894 -25.668 1.00 2.15 O ATOM 1104 CB ARG A 67 -5.073 15.032 -24.520 1.00 43.20 C ATOM 1105 CG ARG A 67 -6.132 14.227 -23.784 1.00 45.41 C ATOM 1106 CD ARG A 67 -7.517 14.825 -23.974 1.00 71.53 C ATOM 1107 NE ARG A 67 -8.453 13.863 -24.551 1.00 31.02 N ATOM 1108 CZ ARG A 67 -9.748 14.107 -24.717 1.00 51.23 C ATOM 1109 NH1 ARG A 67 -10.258 15.276 -24.353 1.00 61.24 N ATOM 1110 NH2 ARG A 67 -10.536 13.181 -25.249 1.00 50.53 N ATOM 0 H ARG A 67 -3.491 16.687 -23.611 1.00 1.31 H new ATOM 0 HA ARG A 67 -3.667 13.918 -23.335 1.00 35.53 H new ATOM 0 HB2 ARG A 67 -5.232 16.092 -24.322 1.00 43.20 H new ATOM 0 HB3 ARG A 67 -5.198 14.886 -25.593 1.00 43.20 H new ATOM 0 HG2 ARG A 67 -6.126 13.199 -24.145 1.00 45.41 H new ATOM 0 HG3 ARG A 67 -5.892 14.193 -22.721 1.00 45.41 H new ATOM 0 HD2 ARG A 67 -7.898 15.170 -23.013 1.00 71.53 H new ATOM 0 HD3 ARG A 67 -7.449 15.699 -24.622 1.00 71.53 H new ATOM 0 HE ARG A 67 -8.092 12.954 -24.842 1.00 31.02 H new ATOM 0 HH11 ARG A 67 -9.655 15.990 -23.944 1.00 61.24 H new ATOM 0 HH12 ARG A 67 -11.253 15.461 -24.482 1.00 61.24 H new ATOM 0 HH21 ARG A 67 -10.147 12.281 -25.531 1.00 50.53 H new ATOM 0 HH22 ARG A 67 -11.530 13.369 -25.376 1.00 50.53 H new ATOM 1124 N GLU A 68 -2.075 14.868 -25.973 1.00 30.52 N ATOM 1125 CA GLU A 68 -1.322 14.415 -27.136 1.00 44.34 C ATOM 1126 C GLU A 68 -0.363 13.289 -26.760 1.00 0.31 C ATOM 1127 O GLU A 68 -0.187 12.331 -27.513 1.00 21.11 O ATOM 1128 CB GLU A 68 -0.542 15.580 -27.751 1.00 22.32 C ATOM 1129 CG GLU A 68 -1.185 16.149 -29.004 1.00 62.33 C ATOM 1130 CD GLU A 68 -0.497 17.409 -29.492 1.00 64.35 C ATOM 1131 OE1 GLU A 68 0.022 18.167 -28.646 1.00 33.30 O ATOM 1132 OE2 GLU A 68 -0.477 17.637 -30.720 1.00 24.01 O ATOM 0 H GLU A 68 -1.900 15.837 -25.707 1.00 30.52 H new ATOM 0 HA GLU A 68 -2.032 14.034 -27.870 1.00 44.34 H new ATOM 0 HB2 GLU A 68 -0.446 16.373 -27.010 1.00 22.32 H new ATOM 0 HB3 GLU A 68 0.467 15.244 -27.991 1.00 22.32 H new ATOM 0 HG2 GLU A 68 -1.161 15.398 -29.793 1.00 62.33 H new ATOM 0 HG3 GLU A 68 -2.234 16.367 -28.803 1.00 62.33 H new ATOM 1139 N HIS A 69 0.255 13.413 -25.589 1.00 70.45 N ATOM 1140 CA HIS A 69 1.196 12.406 -25.112 1.00 21.30 C ATOM 1141 C HIS A 69 0.552 11.521 -24.049 1.00 21.11 C ATOM 1142 O HIS A 69 1.202 10.644 -23.480 1.00 63.24 O ATOM 1143 CB HIS A 69 2.448 13.076 -24.545 1.00 30.44 C ATOM 1144 CG HIS A 69 3.266 13.789 -25.577 1.00 32.20 C ATOM 1145 ND1 HIS A 69 4.415 14.489 -25.275 1.00 73.10 N ATOM 1146 CD2 HIS A 69 3.096 13.906 -26.915 1.00 2.02 C ATOM 1147 CE1 HIS A 69 4.915 15.007 -26.382 1.00 45.41 C ATOM 1148 NE2 HIS A 69 4.134 14.668 -27.392 1.00 23.04 N ATOM 0 H HIS A 69 0.121 14.200 -24.954 1.00 70.45 H new ATOM 0 HA HIS A 69 1.480 11.779 -25.958 1.00 21.30 H new ATOM 0 HB2 HIS A 69 2.152 13.787 -23.774 1.00 30.44 H new ATOM 0 HB3 HIS A 69 3.067 12.320 -24.061 1.00 30.44 H new ATOM 0 HD2 HIS A 69 2.294 13.479 -27.499 1.00 2.02 H new ATOM 0 HE1 HIS A 69 5.811 15.606 -26.450 1.00 45.41 H new ATOM 0 HE2 HIS A 69 4.278 14.930 -28.367 1.00 23.04 H new ATOM 1156 N SER A 70 -0.729 11.758 -23.785 1.00 61.22 N ATOM 1157 CA SER A 70 -1.459 10.985 -22.787 1.00 55.52 C ATOM 1158 C SER A 70 -1.740 9.573 -23.292 1.00 12.32 C ATOM 1159 O SER A 70 -2.203 8.715 -22.541 1.00 4.44 O ATOM 1160 CB SER A 70 -2.774 11.684 -22.433 1.00 70.43 C ATOM 1161 OG SER A 70 -3.700 11.601 -23.503 1.00 63.51 O ATOM 0 H SER A 70 -1.283 12.479 -24.248 1.00 61.22 H new ATOM 0 HA SER A 70 -0.840 10.915 -21.893 1.00 55.52 H new ATOM 0 HB2 SER A 70 -3.203 11.228 -21.541 1.00 70.43 H new ATOM 0 HB3 SER A 70 -2.581 12.730 -22.195 1.00 70.43 H new ATOM 0 HG SER A 70 -3.239 11.779 -24.349 1.00 63.51 H new ATOM 1167 N GLU A 71 -1.457 9.341 -24.570 1.00 1.03 N ATOM 1168 CA GLU A 71 -1.680 8.033 -25.175 1.00 43.43 C ATOM 1169 C GLU A 71 -0.789 6.976 -24.530 1.00 22.12 C ATOM 1170 O GLU A 71 -1.230 5.860 -24.255 1.00 34.24 O ATOM 1171 CB GLU A 71 -1.412 8.092 -26.681 1.00 31.43 C ATOM 1172 CG GLU A 71 -2.665 7.948 -27.528 1.00 14.33 C ATOM 1173 CD GLU A 71 -2.355 7.675 -28.987 1.00 14.52 C ATOM 1174 OE1 GLU A 71 -3.303 7.654 -29.800 1.00 51.40 O ATOM 1175 OE2 GLU A 71 -1.166 7.483 -29.315 1.00 73.14 O ATOM 0 H GLU A 71 -1.073 10.041 -25.206 1.00 1.03 H new ATOM 0 HA GLU A 71 -2.721 7.756 -25.008 1.00 43.43 H new ATOM 0 HB2 GLU A 71 -0.930 9.040 -26.919 1.00 31.43 H new ATOM 0 HB3 GLU A 71 -0.710 7.302 -26.948 1.00 31.43 H new ATOM 0 HG2 GLU A 71 -3.275 7.136 -27.132 1.00 14.33 H new ATOM 0 HG3 GLU A 71 -3.258 8.859 -27.451 1.00 14.33 H new ATOM 1182 N HIS A 72 0.469 7.335 -24.291 1.00 54.25 N ATOM 1183 CA HIS A 72 1.423 6.418 -23.678 1.00 73.14 C ATOM 1184 C HIS A 72 1.332 6.477 -22.156 1.00 41.05 C ATOM 1185 O HIS A 72 1.740 5.545 -21.463 1.00 74.55 O ATOM 1186 CB HIS A 72 2.845 6.751 -24.130 1.00 0.35 C ATOM 1187 CG HIS A 72 3.336 5.887 -25.250 1.00 51.52 C ATOM 1188 ND1 HIS A 72 3.884 6.397 -26.409 1.00 32.34 N ATOM 1189 CD2 HIS A 72 3.361 4.541 -25.384 1.00 73.24 C ATOM 1190 CE1 HIS A 72 4.223 5.401 -27.208 1.00 33.24 C ATOM 1191 NE2 HIS A 72 3.916 4.264 -26.609 1.00 63.23 N ATOM 0 H HIS A 72 0.851 8.254 -24.513 1.00 54.25 H new ATOM 0 HA HIS A 72 1.176 5.406 -24.000 1.00 73.14 H new ATOM 0 HB2 HIS A 72 2.883 7.794 -24.444 1.00 0.35 H new ATOM 0 HB3 HIS A 72 3.520 6.649 -23.281 1.00 0.35 H new ATOM 0 HD2 HIS A 72 3.010 3.819 -24.662 1.00 73.24 H new ATOM 0 HE1 HIS A 72 4.674 5.499 -28.184 1.00 33.24 H new ATOM 0 HE2 HIS A 72 4.067 3.332 -26.994 1.00 63.23 H new ATOM 1199 N PHE A 73 0.796 7.579 -21.643 1.00 2.32 N ATOM 1200 CA PHE A 73 0.654 7.761 -20.203 1.00 31.31 C ATOM 1201 C PHE A 73 -0.553 6.991 -19.674 1.00 63.43 C ATOM 1202 O PHE A 73 -0.443 6.220 -18.721 1.00 21.42 O ATOM 1203 CB PHE A 73 0.512 9.247 -19.866 1.00 61.43 C ATOM 1204 CG PHE A 73 1.773 10.033 -20.083 1.00 3.24 C ATOM 1205 CD1 PHE A 73 2.996 9.536 -19.662 1.00 2.34 C ATOM 1206 CD2 PHE A 73 1.736 11.270 -20.707 1.00 33.25 C ATOM 1207 CE1 PHE A 73 4.159 10.257 -19.859 1.00 53.44 C ATOM 1208 CE2 PHE A 73 2.895 11.995 -20.907 1.00 52.15 C ATOM 1209 CZ PHE A 73 4.108 11.489 -20.482 1.00 74.03 C ATOM 0 H PHE A 73 0.453 8.360 -22.203 1.00 2.32 H new ATOM 0 HA PHE A 73 1.551 7.371 -19.723 1.00 31.31 H new ATOM 0 HB2 PHE A 73 -0.283 9.675 -20.476 1.00 61.43 H new ATOM 0 HB3 PHE A 73 0.205 9.348 -18.825 1.00 61.43 H new ATOM 0 HD1 PHE A 73 3.041 8.574 -19.174 1.00 2.34 H new ATOM 0 HD2 PHE A 73 0.791 11.672 -21.041 1.00 33.25 H new ATOM 0 HE1 PHE A 73 5.106 9.858 -19.526 1.00 53.44 H new ATOM 0 HE2 PHE A 73 2.853 12.957 -21.396 1.00 52.15 H new ATOM 0 HZ PHE A 73 5.015 12.055 -20.636 1.00 74.03 H new ATOM 1219 N LYS A 74 -1.705 7.206 -20.300 1.00 62.34 N ATOM 1220 CA LYS A 74 -2.933 6.533 -19.896 1.00 33.24 C ATOM 1221 C LYS A 74 -2.753 5.018 -19.905 1.00 43.22 C ATOM 1222 O LYS A 74 -3.470 4.294 -19.216 1.00 22.13 O ATOM 1223 CB LYS A 74 -4.084 6.926 -20.825 1.00 32.43 C ATOM 1224 CG LYS A 74 -5.348 6.112 -20.605 1.00 10.30 C ATOM 1225 CD LYS A 74 -6.485 6.599 -21.488 1.00 0.13 C ATOM 1226 CE LYS A 74 -7.074 5.466 -22.314 1.00 21.34 C ATOM 1227 NZ LYS A 74 -6.448 5.379 -23.662 1.00 21.40 N ATOM 0 H LYS A 74 -1.814 7.842 -21.090 1.00 62.34 H new ATOM 0 HA LYS A 74 -3.171 6.846 -18.880 1.00 33.24 H new ATOM 0 HB2 LYS A 74 -4.312 7.982 -20.681 1.00 32.43 H new ATOM 0 HB3 LYS A 74 -3.761 6.808 -21.859 1.00 32.43 H new ATOM 0 HG2 LYS A 74 -5.147 5.062 -20.815 1.00 10.30 H new ATOM 0 HG3 LYS A 74 -5.646 6.176 -19.558 1.00 10.30 H new ATOM 0 HD2 LYS A 74 -7.264 7.042 -20.868 1.00 0.13 H new ATOM 0 HD3 LYS A 74 -6.121 7.383 -22.152 1.00 0.13 H new ATOM 0 HE2 LYS A 74 -6.935 4.522 -21.787 1.00 21.34 H new ATOM 0 HE3 LYS A 74 -8.148 5.615 -22.421 1.00 21.34 H new ATOM 0 HZ1 LYS A 74 -6.877 4.595 -24.194 1.00 21.40 H new ATOM 0 HZ2 LYS A 74 -6.603 6.270 -24.175 1.00 21.40 H new ATOM 0 HZ3 LYS A 74 -5.427 5.211 -23.560 1.00 21.40 H new ATOM 1241 N ALA A 75 -1.789 4.547 -20.690 1.00 33.30 N ATOM 1242 CA ALA A 75 -1.513 3.119 -20.786 1.00 25.21 C ATOM 1243 C ALA A 75 -0.646 2.648 -19.623 1.00 12.14 C ATOM 1244 O ALA A 75 -0.756 1.506 -19.175 1.00 40.41 O ATOM 1245 CB ALA A 75 -0.838 2.800 -22.112 1.00 23.02 C ATOM 0 H ALA A 75 -1.187 5.133 -21.268 1.00 33.30 H new ATOM 0 HA ALA A 75 -2.463 2.586 -20.736 1.00 25.21 H new ATOM 0 HB1 ALA A 75 -0.638 1.730 -22.170 1.00 23.02 H new ATOM 0 HB2 ALA A 75 -1.493 3.092 -22.933 1.00 23.02 H new ATOM 0 HB3 ALA A 75 0.101 3.349 -22.184 1.00 23.02 H new ATOM 1251 N LYS A 76 0.216 3.535 -19.137 1.00 21.43 N ATOM 1252 CA LYS A 76 1.102 3.211 -18.025 1.00 32.14 C ATOM 1253 C LYS A 76 0.320 2.600 -16.866 1.00 53.40 C ATOM 1254 O LYS A 76 0.794 1.679 -16.201 1.00 73.24 O ATOM 1255 CB LYS A 76 1.839 4.466 -17.551 1.00 61.41 C ATOM 1256 CG LYS A 76 2.949 4.179 -16.555 1.00 0.24 C ATOM 1257 CD LYS A 76 4.251 3.831 -17.255 1.00 64.25 C ATOM 1258 CE LYS A 76 5.053 5.078 -17.594 1.00 41.23 C ATOM 1259 NZ LYS A 76 6.519 4.817 -17.578 1.00 20.21 N ATOM 0 H LYS A 76 0.320 4.484 -19.496 1.00 21.43 H new ATOM 0 HA LYS A 76 1.830 2.479 -18.375 1.00 32.14 H new ATOM 0 HB2 LYS A 76 2.261 4.978 -18.416 1.00 61.41 H new ATOM 0 HB3 LYS A 76 1.121 5.149 -17.096 1.00 61.41 H new ATOM 0 HG2 LYS A 76 3.100 5.049 -15.916 1.00 0.24 H new ATOM 0 HG3 LYS A 76 2.652 3.355 -15.906 1.00 0.24 H new ATOM 0 HD2 LYS A 76 4.845 3.178 -16.616 1.00 64.25 H new ATOM 0 HD3 LYS A 76 4.037 3.275 -18.168 1.00 64.25 H new ATOM 0 HE2 LYS A 76 4.760 5.442 -18.579 1.00 41.23 H new ATOM 0 HE3 LYS A 76 4.817 5.867 -16.880 1.00 41.23 H new ATOM 0 HZ1 LYS A 76 7.030 5.692 -17.814 1.00 20.21 H new ATOM 0 HZ2 LYS A 76 6.804 4.494 -16.631 1.00 20.21 H new ATOM 0 HZ3 LYS A 76 6.749 4.082 -18.278 1.00 20.21 H new ATOM 1273 N PHE A 77 -0.881 3.119 -16.630 1.00 61.02 N ATOM 1274 CA PHE A 77 -1.729 2.624 -15.552 1.00 50.20 C ATOM 1275 C PHE A 77 -1.848 1.104 -15.608 1.00 14.01 C ATOM 1276 O PHE A 77 -1.895 0.436 -14.575 1.00 45.04 O ATOM 1277 CB PHE A 77 -3.118 3.260 -15.635 1.00 75.50 C ATOM 1278 CG PHE A 77 -3.486 4.059 -14.418 1.00 3.22 C ATOM 1279 CD1 PHE A 77 -3.318 3.530 -13.148 1.00 74.24 C ATOM 1280 CD2 PHE A 77 -3.999 5.340 -14.543 1.00 42.21 C ATOM 1281 CE1 PHE A 77 -3.655 4.263 -12.026 1.00 40.01 C ATOM 1282 CE2 PHE A 77 -4.337 6.078 -13.425 1.00 3.35 C ATOM 1283 CZ PHE A 77 -4.166 5.539 -12.165 1.00 22.34 C ATOM 0 H PHE A 77 -1.288 3.882 -17.171 1.00 61.02 H new ATOM 0 HA PHE A 77 -1.267 2.899 -14.604 1.00 50.20 H new ATOM 0 HB2 PHE A 77 -3.161 3.907 -16.511 1.00 75.50 H new ATOM 0 HB3 PHE A 77 -3.860 2.475 -15.782 1.00 75.50 H new ATOM 0 HD1 PHE A 77 -2.919 2.533 -13.034 1.00 74.24 H new ATOM 0 HD2 PHE A 77 -4.136 5.767 -15.526 1.00 42.21 H new ATOM 0 HE1 PHE A 77 -3.519 3.839 -11.042 1.00 40.01 H new ATOM 0 HE2 PHE A 77 -4.735 7.076 -13.536 1.00 3.35 H new ATOM 0 HZ PHE A 77 -4.431 6.114 -11.290 1.00 22.34 H new ATOM 1293 N ALA A 78 -1.899 0.565 -16.821 1.00 65.35 N ATOM 1294 CA ALA A 78 -2.011 -0.876 -17.013 1.00 51.11 C ATOM 1295 C ALA A 78 -0.759 -1.595 -16.522 1.00 12.44 C ATOM 1296 O ALA A 78 -0.838 -2.698 -15.983 1.00 63.34 O ATOM 1297 CB ALA A 78 -2.264 -1.195 -18.479 1.00 60.11 C ATOM 0 H ALA A 78 -1.865 1.104 -17.686 1.00 65.35 H new ATOM 0 HA ALA A 78 -2.856 -1.231 -16.424 1.00 51.11 H new ATOM 0 HB1 ALA A 78 -2.345 -2.274 -18.608 1.00 60.11 H new ATOM 0 HB2 ALA A 78 -3.191 -0.720 -18.800 1.00 60.11 H new ATOM 0 HB3 ALA A 78 -1.437 -0.819 -19.081 1.00 60.11 H new ATOM 1303 N GLU A 79 0.394 -0.961 -16.711 1.00 62.33 N ATOM 1304 CA GLU A 79 1.663 -1.543 -16.288 1.00 13.41 C ATOM 1305 C GLU A 79 1.976 -1.170 -14.842 1.00 21.34 C ATOM 1306 O GLU A 79 2.755 -1.847 -14.169 1.00 33.41 O ATOM 1307 CB GLU A 79 2.795 -1.073 -17.204 1.00 21.33 C ATOM 1308 CG GLU A 79 4.181 -1.313 -16.629 1.00 63.25 C ATOM 1309 CD GLU A 79 5.262 -1.306 -17.693 1.00 24.23 C ATOM 1310 OE1 GLU A 79 6.135 -0.413 -17.645 1.00 75.42 O ATOM 1311 OE2 GLU A 79 5.237 -2.193 -18.572 1.00 15.52 O ATOM 0 H GLU A 79 0.476 -0.046 -17.154 1.00 62.33 H new ATOM 0 HA GLU A 79 1.577 -2.628 -16.355 1.00 13.41 H new ATOM 0 HB2 GLU A 79 2.714 -1.587 -18.162 1.00 21.33 H new ATOM 0 HB3 GLU A 79 2.672 -0.008 -17.403 1.00 21.33 H new ATOM 0 HG2 GLU A 79 4.401 -0.545 -15.888 1.00 63.25 H new ATOM 0 HG3 GLU A 79 4.194 -2.271 -16.109 1.00 63.25 H new ATOM 1318 N LEU A 80 1.365 -0.089 -14.370 1.00 31.33 N ATOM 1319 CA LEU A 80 1.578 0.375 -13.003 1.00 61.22 C ATOM 1320 C LEU A 80 1.336 -0.750 -12.002 1.00 31.11 C ATOM 1321 O LEU A 80 2.076 -0.900 -11.029 1.00 10.43 O ATOM 1322 CB LEU A 80 0.655 1.555 -12.695 1.00 1.13 C ATOM 1323 CG LEU A 80 1.344 2.894 -12.427 1.00 71.23 C ATOM 1324 CD1 LEU A 80 1.229 3.805 -13.639 1.00 74.15 C ATOM 1325 CD2 LEU A 80 0.750 3.563 -11.196 1.00 73.24 C ATOM 0 H LEU A 80 0.718 0.483 -14.913 1.00 31.33 H new ATOM 0 HA LEU A 80 2.615 0.699 -12.913 1.00 61.22 H new ATOM 0 HB2 LEU A 80 -0.030 1.683 -13.533 1.00 1.13 H new ATOM 0 HB3 LEU A 80 0.050 1.300 -11.825 1.00 1.13 H new ATOM 0 HG LEU A 80 2.401 2.706 -12.239 1.00 71.23 H new ATOM 0 HD11 LEU A 80 1.725 4.753 -13.430 1.00 74.15 H new ATOM 0 HD12 LEU A 80 1.703 3.329 -14.498 1.00 74.15 H new ATOM 0 HD13 LEU A 80 0.177 3.987 -13.859 1.00 74.15 H new ATOM 0 HD21 LEU A 80 1.252 4.514 -11.021 1.00 73.24 H new ATOM 0 HD22 LEU A 80 -0.314 3.738 -11.355 1.00 73.24 H new ATOM 0 HD23 LEU A 80 0.885 2.916 -10.329 1.00 73.24 H new ATOM 1337 N LEU A 81 0.297 -1.540 -12.248 1.00 33.31 N ATOM 1338 CA LEU A 81 -0.042 -2.654 -11.369 1.00 73.31 C ATOM 1339 C LEU A 81 1.081 -3.686 -11.340 1.00 11.24 C ATOM 1340 O LEU A 81 1.295 -4.355 -10.329 1.00 50.13 O ATOM 1341 CB LEU A 81 -1.344 -3.314 -11.828 1.00 41.21 C ATOM 1342 CG LEU A 81 -2.636 -2.673 -11.321 1.00 53.33 C ATOM 1343 CD1 LEU A 81 -2.739 -2.802 -9.809 1.00 41.45 C ATOM 1344 CD2 LEU A 81 -2.706 -1.211 -11.740 1.00 34.32 C ATOM 0 H LEU A 81 -0.325 -1.430 -13.049 1.00 33.31 H new ATOM 0 HA LEU A 81 -0.176 -2.261 -10.361 1.00 73.31 H new ATOM 0 HB2 LEU A 81 -1.364 -3.312 -12.918 1.00 41.21 H new ATOM 0 HB3 LEU A 81 -1.331 -4.357 -11.511 1.00 41.21 H new ATOM 0 HG LEU A 81 -3.480 -3.199 -11.768 1.00 53.33 H new ATOM 0 HD11 LEU A 81 -3.665 -2.340 -9.467 1.00 41.45 H new ATOM 0 HD12 LEU A 81 -2.736 -3.856 -9.533 1.00 41.45 H new ATOM 0 HD13 LEU A 81 -1.890 -2.302 -9.343 1.00 41.45 H new ATOM 0 HD21 LEU A 81 -3.632 -0.771 -11.371 1.00 34.32 H new ATOM 0 HD22 LEU A 81 -1.856 -0.672 -11.322 1.00 34.32 H new ATOM 0 HD23 LEU A 81 -2.680 -1.143 -12.828 1.00 34.32 H new ATOM 1356 N GLU A 82 1.796 -3.807 -12.454 1.00 0.23 N ATOM 1357 CA GLU A 82 2.898 -4.756 -12.554 1.00 23.11 C ATOM 1358 C GLU A 82 4.193 -4.144 -12.028 1.00 2.43 C ATOM 1359 O GLU A 82 5.034 -4.839 -11.458 1.00 74.44 O ATOM 1360 CB GLU A 82 3.086 -5.203 -14.005 1.00 55.02 C ATOM 1361 CG GLU A 82 3.958 -6.438 -14.154 1.00 72.21 C ATOM 1362 CD GLU A 82 3.675 -7.201 -15.434 1.00 21.24 C ATOM 1363 OE1 GLU A 82 3.839 -6.613 -16.523 1.00 4.10 O ATOM 1364 OE2 GLU A 82 3.290 -8.386 -15.346 1.00 13.40 O ATOM 0 H GLU A 82 1.632 -3.260 -13.299 1.00 0.23 H new ATOM 0 HA GLU A 82 2.652 -5.624 -11.943 1.00 23.11 H new ATOM 0 HB2 GLU A 82 2.109 -5.404 -14.444 1.00 55.02 H new ATOM 0 HB3 GLU A 82 3.529 -4.385 -14.574 1.00 55.02 H new ATOM 0 HG2 GLU A 82 5.007 -6.142 -14.136 1.00 72.21 H new ATOM 0 HG3 GLU A 82 3.798 -7.096 -13.300 1.00 72.21 H new ATOM 1371 N GLN A 83 4.346 -2.838 -12.224 1.00 13.14 N ATOM 1372 CA GLN A 83 5.538 -2.132 -11.770 1.00 63.12 C ATOM 1373 C GLN A 83 5.518 -1.945 -10.257 1.00 30.54 C ATOM 1374 O GLN A 83 6.566 -1.900 -9.614 1.00 25.41 O ATOM 1375 CB GLN A 83 5.646 -0.772 -12.462 1.00 72.22 C ATOM 1376 CG GLN A 83 7.076 -0.353 -12.760 1.00 42.41 C ATOM 1377 CD GLN A 83 7.157 0.989 -13.462 1.00 72.30 C ATOM 1378 OE1 GLN A 83 7.092 1.065 -14.689 1.00 64.14 O ATOM 1379 NE2 GLN A 83 7.298 2.056 -12.685 1.00 42.21 N ATOM 0 H GLN A 83 3.659 -2.248 -12.694 1.00 13.14 H new ATOM 0 HA GLN A 83 6.407 -2.735 -12.031 1.00 63.12 H new ATOM 0 HB2 GLN A 83 5.083 -0.803 -13.395 1.00 72.22 H new ATOM 0 HB3 GLN A 83 5.178 -0.015 -11.832 1.00 72.22 H new ATOM 0 HG2 GLN A 83 7.638 -0.305 -11.828 1.00 42.41 H new ATOM 0 HG3 GLN A 83 7.551 -1.113 -13.381 1.00 42.41 H new ATOM 0 HE21 GLN A 83 7.347 1.946 -11.672 1.00 42.21 H new ATOM 0 HE22 GLN A 83 7.357 2.986 -13.101 1.00 42.21 H new ATOM 1388 N GLN A 84 4.318 -1.837 -9.695 1.00 24.12 N ATOM 1389 CA GLN A 84 4.163 -1.654 -8.257 1.00 33.24 C ATOM 1390 C GLN A 84 4.967 -2.695 -7.485 1.00 61.22 C ATOM 1391 O GLN A 84 5.443 -2.434 -6.380 1.00 34.21 O ATOM 1392 CB GLN A 84 2.686 -1.742 -7.867 1.00 1.11 C ATOM 1393 CG GLN A 84 2.171 -3.168 -7.750 1.00 5.53 C ATOM 1394 CD GLN A 84 0.661 -3.252 -7.841 1.00 54.10 C ATOM 1395 OE1 GLN A 84 -0.017 -2.247 -8.057 1.00 41.31 O ATOM 1396 NE2 GLN A 84 0.124 -4.455 -7.677 1.00 34.24 N ATOM 0 H GLN A 84 3.440 -1.873 -10.213 1.00 24.12 H new ATOM 0 HA GLN A 84 4.542 -0.665 -8.000 1.00 33.24 H new ATOM 0 HB2 GLN A 84 2.539 -1.232 -6.915 1.00 1.11 H new ATOM 0 HB3 GLN A 84 2.091 -1.209 -8.609 1.00 1.11 H new ATOM 0 HG2 GLN A 84 2.613 -3.776 -8.539 1.00 5.53 H new ATOM 0 HG3 GLN A 84 2.498 -3.592 -6.800 1.00 5.53 H new ATOM 0 HE21 GLN A 84 0.723 -5.261 -7.500 1.00 34.24 H new ATOM 0 HE22 GLN A 84 -0.888 -4.573 -7.728 1.00 34.24 H new ATOM 1405 N LYS A 85 5.116 -3.877 -8.075 1.00 13.34 N ATOM 1406 CA LYS A 85 5.863 -4.958 -7.444 1.00 63.22 C ATOM 1407 C LYS A 85 7.357 -4.822 -7.723 1.00 73.12 C ATOM 1408 O LYS A 85 8.178 -4.910 -6.812 1.00 22.12 O ATOM 1409 CB LYS A 85 5.361 -6.314 -7.947 1.00 42.42 C ATOM 1410 CG LYS A 85 5.052 -7.299 -6.833 1.00 54.15 C ATOM 1411 CD LYS A 85 3.566 -7.331 -6.514 1.00 64.02 C ATOM 1412 CE LYS A 85 2.973 -8.709 -6.762 1.00 74.22 C ATOM 1413 NZ LYS A 85 3.357 -9.678 -5.699 1.00 33.23 N ATOM 0 H LYS A 85 4.729 -4.110 -8.989 1.00 13.34 H new ATOM 0 HA LYS A 85 5.705 -4.895 -6.367 1.00 63.22 H new ATOM 0 HB2 LYS A 85 4.462 -6.161 -8.545 1.00 42.42 H new ATOM 0 HB3 LYS A 85 6.112 -6.748 -8.607 1.00 42.42 H new ATOM 0 HG2 LYS A 85 5.384 -8.295 -7.124 1.00 54.15 H new ATOM 0 HG3 LYS A 85 5.611 -7.025 -5.938 1.00 54.15 H new ATOM 0 HD2 LYS A 85 3.410 -7.049 -5.473 1.00 64.02 H new ATOM 0 HD3 LYS A 85 3.045 -6.594 -7.126 1.00 64.02 H new ATOM 0 HE2 LYS A 85 1.887 -8.634 -6.809 1.00 74.22 H new ATOM 0 HE3 LYS A 85 3.309 -9.080 -7.730 1.00 74.22 H new ATOM 0 HZ1 LYS A 85 2.933 -10.605 -5.905 1.00 33.23 H new ATOM 0 HZ2 LYS A 85 4.393 -9.770 -5.670 1.00 33.23 H new ATOM 0 HZ3 LYS A 85 3.014 -9.337 -4.778 1.00 33.23 H new ATOM 1427 N ASN A 86 7.700 -4.605 -8.989 1.00 24.43 N ATOM 1428 CA ASN A 86 9.095 -4.456 -9.387 1.00 24.00 C ATOM 1429 C ASN A 86 9.798 -3.411 -8.526 1.00 10.21 C ATOM 1430 O ASN A 86 10.897 -3.643 -8.023 1.00 50.23 O ATOM 1431 CB ASN A 86 9.187 -4.062 -10.863 1.00 33.53 C ATOM 1432 CG ASN A 86 9.102 -5.262 -11.787 1.00 52.42 C ATOM 1433 OD1 ASN A 86 8.452 -6.258 -11.471 1.00 22.40 O ATOM 1434 ND2 ASN A 86 9.760 -5.170 -12.937 1.00 0.21 N ATOM 0 H ASN A 86 7.032 -4.529 -9.756 1.00 24.43 H new ATOM 0 HA ASN A 86 9.592 -5.415 -9.242 1.00 24.00 H new ATOM 0 HB2 ASN A 86 8.383 -3.365 -11.101 1.00 33.53 H new ATOM 0 HB3 ASN A 86 10.126 -3.537 -11.039 1.00 33.53 H new ATOM 0 HD21 ASN A 86 9.739 -5.945 -13.600 1.00 0.21 H new ATOM 0 HD22 ASN A 86 10.286 -4.324 -13.157 1.00 0.21 H new ATOM 1441 N ALA A 87 9.155 -2.260 -8.360 1.00 40.51 N ATOM 1442 CA ALA A 87 9.716 -1.180 -7.558 1.00 4.31 C ATOM 1443 C ALA A 87 9.716 -1.539 -6.076 1.00 61.30 C ATOM 1444 O ALA A 87 10.511 -1.010 -5.300 1.00 51.40 O ATOM 1445 CB ALA A 87 8.941 0.109 -7.791 1.00 21.44 C ATOM 0 H ALA A 87 8.245 -2.051 -8.770 1.00 40.51 H new ATOM 0 HA ALA A 87 10.750 -1.030 -7.869 1.00 4.31 H new ATOM 0 HB1 ALA A 87 9.371 0.907 -7.186 1.00 21.44 H new ATOM 0 HB2 ALA A 87 8.998 0.382 -8.845 1.00 21.44 H new ATOM 0 HB3 ALA A 87 7.898 -0.038 -7.510 1.00 21.44 H new ATOM 1451 N GLN A 88 8.819 -2.442 -5.691 1.00 5.40 N ATOM 1452 CA GLN A 88 8.716 -2.870 -4.301 1.00 71.01 C ATOM 1453 C GLN A 88 9.820 -3.863 -3.954 1.00 2.02 C ATOM 1454 O GLN A 88 10.207 -3.996 -2.793 1.00 3.34 O ATOM 1455 CB GLN A 88 7.347 -3.500 -4.040 1.00 74.12 C ATOM 1456 CG GLN A 88 7.132 -3.910 -2.592 1.00 73.54 C ATOM 1457 CD GLN A 88 7.220 -5.411 -2.392 1.00 13.53 C ATOM 1458 OE1 GLN A 88 6.765 -6.188 -3.231 1.00 65.52 O ATOM 1459 NE2 GLN A 88 7.807 -5.825 -1.275 1.00 75.31 N ATOM 0 H GLN A 88 8.154 -2.890 -6.321 1.00 5.40 H new ATOM 0 HA GLN A 88 8.831 -1.991 -3.667 1.00 71.01 H new ATOM 0 HB2 GLN A 88 6.570 -2.792 -4.328 1.00 74.12 H new ATOM 0 HB3 GLN A 88 7.232 -4.376 -4.678 1.00 74.12 H new ATOM 0 HG2 GLN A 88 7.876 -3.419 -1.965 1.00 73.54 H new ATOM 0 HG3 GLN A 88 6.155 -3.560 -2.260 1.00 73.54 H new ATOM 0 HE21 GLN A 88 8.170 -5.145 -0.607 1.00 75.31 H new ATOM 0 HE22 GLN A 88 7.895 -6.823 -1.085 1.00 75.31 H new ATOM 1468 N PHE A 89 10.324 -4.559 -4.968 1.00 35.13 N ATOM 1469 CA PHE A 89 11.383 -5.541 -4.769 1.00 72.54 C ATOM 1470 C PHE A 89 10.999 -6.544 -3.685 1.00 74.23 C ATOM 1471 O PHE A 89 11.518 -6.520 -2.569 1.00 51.43 O ATOM 1472 CB PHE A 89 12.691 -4.843 -4.393 1.00 63.25 C ATOM 1473 CG PHE A 89 13.910 -5.693 -4.615 1.00 74.23 C ATOM 1474 CD1 PHE A 89 14.682 -6.113 -3.545 1.00 3.45 C ATOM 1475 CD2 PHE A 89 14.282 -6.072 -5.895 1.00 23.31 C ATOM 1476 CE1 PHE A 89 15.804 -6.895 -3.745 1.00 71.21 C ATOM 1477 CE2 PHE A 89 15.402 -6.855 -6.102 1.00 25.05 C ATOM 1478 CZ PHE A 89 16.165 -7.266 -5.026 1.00 11.15 C ATOM 0 H PHE A 89 10.016 -4.461 -5.935 1.00 35.13 H new ATOM 0 HA PHE A 89 11.523 -6.081 -5.705 1.00 72.54 H new ATOM 0 HB2 PHE A 89 12.785 -3.927 -4.976 1.00 63.25 H new ATOM 0 HB3 PHE A 89 12.648 -4.550 -3.344 1.00 63.25 H new ATOM 0 HD1 PHE A 89 14.404 -5.826 -2.542 1.00 3.45 H new ATOM 0 HD2 PHE A 89 13.690 -5.752 -6.740 1.00 23.31 H new ATOM 0 HE1 PHE A 89 16.397 -7.215 -2.901 1.00 71.21 H new ATOM 0 HE2 PHE A 89 15.681 -7.145 -7.104 1.00 25.05 H new ATOM 0 HZ PHE A 89 17.042 -7.876 -5.186 1.00 11.15 H new ATOM 1488 N PRO A 90 10.066 -7.448 -4.020 1.00 32.21 N ATOM 1489 CA PRO A 90 9.590 -8.477 -3.090 1.00 5.43 C ATOM 1490 C PRO A 90 10.652 -9.533 -2.802 1.00 74.20 C ATOM 1491 O PRO A 90 10.872 -9.908 -1.651 1.00 71.53 O ATOM 1492 CB PRO A 90 8.402 -9.099 -3.826 1.00 71.14 C ATOM 1493 CG PRO A 90 8.679 -8.852 -5.269 1.00 70.22 C ATOM 1494 CD PRO A 90 9.404 -7.536 -5.332 1.00 72.23 C ATOM 0 HA PRO A 90 9.333 -8.059 -2.116 1.00 5.43 H new ATOM 0 HB2 PRO A 90 8.320 -10.165 -3.615 1.00 71.14 H new ATOM 0 HB3 PRO A 90 7.462 -8.640 -3.519 1.00 71.14 H new ATOM 0 HG2 PRO A 90 9.286 -9.652 -5.693 1.00 70.22 H new ATOM 0 HG3 PRO A 90 7.753 -8.816 -5.843 1.00 70.22 H new ATOM 0 HD2 PRO A 90 10.126 -7.514 -6.149 1.00 72.23 H new ATOM 0 HD3 PRO A 90 8.716 -6.706 -5.492 1.00 72.23 H new ATOM 1502 N GLY A 91 11.307 -10.009 -3.856 1.00 64.42 N ATOM 1503 CA GLY A 91 12.338 -11.018 -3.695 1.00 21.20 C ATOM 1504 C GLY A 91 12.445 -11.935 -4.897 1.00 72.32 C ATOM 1505 O GLY A 91 12.891 -11.520 -5.967 1.00 23.31 O ATOM 0 H GLY A 91 11.142 -9.714 -4.818 1.00 64.42 H new ATOM 0 HA2 GLY A 91 13.298 -10.529 -3.529 1.00 21.20 H new ATOM 0 HA3 GLY A 91 12.125 -11.612 -2.806 1.00 21.20 H new ATOM 1509 N LYS A 92 12.035 -13.187 -4.722 1.00 65.24 N ATOM 1510 CA LYS A 92 12.087 -14.167 -5.801 1.00 30.22 C ATOM 1511 C LYS A 92 10.825 -14.103 -6.655 1.00 41.43 C ATOM 1512 O LYS A 92 9.763 -13.698 -6.182 1.00 20.13 O ATOM 1513 CB LYS A 92 12.257 -15.577 -5.229 1.00 42.43 C ATOM 1514 CG LYS A 92 13.639 -16.164 -5.460 1.00 53.14 C ATOM 1515 CD LYS A 92 14.708 -15.385 -4.713 1.00 11.02 C ATOM 1516 CE LYS A 92 15.810 -16.301 -4.202 1.00 12.40 C ATOM 1517 NZ LYS A 92 17.119 -16.006 -4.848 1.00 21.54 N ATOM 0 H LYS A 92 11.663 -13.547 -3.843 1.00 65.24 H new ATOM 0 HA LYS A 92 12.944 -13.931 -6.432 1.00 30.22 H new ATOM 0 HB2 LYS A 92 12.056 -15.552 -4.158 1.00 42.43 H new ATOM 0 HB3 LYS A 92 11.512 -16.234 -5.678 1.00 42.43 H new ATOM 0 HG2 LYS A 92 13.652 -17.204 -5.135 1.00 53.14 H new ATOM 0 HG3 LYS A 92 13.863 -16.160 -6.527 1.00 53.14 H new ATOM 0 HD2 LYS A 92 15.137 -14.630 -5.372 1.00 11.02 H new ATOM 0 HD3 LYS A 92 14.255 -14.856 -3.875 1.00 11.02 H new ATOM 0 HE2 LYS A 92 15.904 -16.189 -3.122 1.00 12.40 H new ATOM 0 HE3 LYS A 92 15.537 -17.339 -4.392 1.00 12.40 H new ATOM 0 HZ1 LYS A 92 17.844 -16.651 -4.474 1.00 21.54 H new ATOM 0 HZ2 LYS A 92 17.036 -16.138 -5.876 1.00 21.54 H new ATOM 0 HZ3 LYS A 92 17.392 -15.023 -4.646 1.00 21.54 H new TER 1531 LYS A 92